----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:34:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.038835275000000 -5.480753690000000 0.000000000000000 b 3.038835275000000 5.480753690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.402689779999998 Atomic positions (fractional): *1 Li 0.32597361552424 0.67402638447576 0.65979940326978 6.941 2 Li 0.82597361552424 0.17402638447576 0.84020059673022 6.941 3 Li 0.17402638447576 0.82597361552424 0.15979940326978 6.941 4 Li 0.67402638447576 0.32597361552424 0.34020059673022 6.941 *5 Si 0.66624971561858 0.33375028438142 0.62097053074147 28.085 6 Si 0.16624971561858 0.83375028438142 0.87902946925853 28.085 7 Si 0.83375028438142 0.16624971561858 0.12097053074147 28.085 8 Si 0.33375028438142 0.66624971561858 0.37902946925853 28.085 *9 B 0.31389049101620 0.15558995113869 0.53131498505240 10.811 10 B 0.84441004886131 0.68610950898380 0.53131498505240 10.811 *11 B 0.84825730167748 0.15174269832252 0.55627022750226 10.811 *12 B 0.10083249585324 0.89916750414677 0.65025427023646 10.811 *13 B 0.11976542342753 0.19806391240652 0.66589742499553 10.811 14 B 0.80193608759348 0.88023457657247 0.66589742499553 10.811 15 B 0.30193608759348 0.38023457657247 0.83410257500447 10.811 16 B 0.61976542342753 0.69806391240652 0.83410257500447 10.811 17 B 0.60083249585323 0.39916750414676 0.84974572976354 10.811 18 B 0.34825730167748 0.65174269832252 0.94372977249774 10.811 19 B 0.34441004886131 0.18610950898380 0.96868501494760 10.811 20 B 0.81389049101620 0.65558995113869 0.96868501494760 10.811 21 B 0.18610950898380 0.34441004886131 0.03131498505240 10.811 22 B 0.65558995113869 0.81389049101620 0.03131498505240 10.811 23 B 0.65174269832252 0.34825730167748 0.05627022750226 10.811 24 B 0.39916750414676 0.60083249585323 0.15025427023646 10.811 25 B 0.38023457657247 0.30193608759348 0.16589742499554 10.811 26 B 0.69806391240652 0.61976542342753 0.16589742499554 10.811 27 B 0.19806391240652 0.11976542342753 0.33410257500446 10.811 28 B 0.88023457657247 0.80193608759348 0.33410257500446 10.811 29 B 0.89916750414677 0.10083249585324 0.34974572976354 10.811 30 B 0.15174269832252 0.84825730167748 0.44372977249774 10.811 31 B 0.15558995113869 0.31389049101620 0.46868501494760 10.811 32 B 0.68610950898380 0.84441004886131 0.46868501494760 10.811 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.077670550000000 0.000000000000000 0.000000000000000 b 0.000000000000000 10.961507380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.402689779999998 Atomic positions (fractional): *1 Li 0.50000000000000 0.17402638447576 0.65979940326978 6.941 > 1 2 Li 0.00000000000000 0.17402638447576 0.84020059673022 6.941 > 2 3 Li 0.50000000000000 0.32597361552424 0.15979940326978 6.941 > 3 4 Li 0.00000000000000 0.32597361552424 0.34020059673022 6.941 > 4 5 Li 0.00000000000000 0.67402638447576 0.65979940326978 6.941 > 1 6 Li 0.50000000000000 0.67402638447576 0.84020059673022 6.941 > 2 7 Li 0.00000000000000 0.82597361552424 0.15979940326978 6.941 > 3 8 Li 0.50000000000000 0.82597361552424 0.34020059673022 6.941 > 4 *9 Si 0.00000000000000 0.33375028438142 0.62097053074147 28.085 > 5 10 Si 0.50000000000000 0.33375028438142 0.87902946925853 28.085 > 6 11 Si 0.00000000000000 0.16624971561858 0.12097053074147 28.085 > 7 12 Si 0.50000000000000 0.16624971561858 0.37902946925853 28.085 > 8 13 Si 0.50000000000000 0.83375028438142 0.62097053074147 28.085 > 5 14 Si 0.00000000000000 0.83375028438142 0.87902946925853 28.085 > 6 15 Si 0.50000000000000 0.66624971561858 0.12097053074147 28.085 > 7 16 Si 0.00000000000000 0.66624971561858 0.37902946925853 28.085 > 8 *17 B 0.73474022107745 0.42084973006124 0.53131498505240 10.811 > 9 18 B 0.26525977892255 0.42084973006124 0.53131498505240 10.811 > 10 *19 B 0.00000000000000 0.15174269832252 0.55627022750226 10.811 > 11 *20 B 0.50000000000000 0.39916750414676 0.65025427023646 10.811 > 12 *21 B 0.15891466791702 0.03914924448949 0.66589742499553 10.811 > 13 22 B 0.84108533208298 0.03914924448949 0.66589742499553 10.811 > 14 23 B 0.34108533208298 0.03914924448949 0.83410257500447 10.811 > 15 24 B 0.65891466791702 0.03914924448949 0.83410257500447 10.811 > 16 25 B 0.00000000000000 0.39916750414676 0.84974572976354 10.811 > 17 26 B 0.50000000000000 0.15174269832252 0.94372977249774 10.811 > 18 27 B 0.76525977892255 0.42084973006124 0.96868501494760 10.811 > 19 28 B 0.23474022107745 0.42084973006124 0.96868501494760 10.811 > 20 29 B 0.26525977892255 0.07915026993876 0.03131498505240 10.811 > 21 30 B 0.73474022107745 0.07915026993876 0.03131498505240 10.811 > 22 31 B 0.00000000000000 0.34825730167748 0.05627022750226 10.811 > 23 32 B 0.50000000000000 0.10083249585324 0.15025427023646 10.811 > 24 33 B 0.84108533208298 0.46085075551051 0.16589742499554 10.811 > 25 34 B 0.15891466791702 0.46085075551051 0.16589742499554 10.811 > 26 35 B 0.65891466791702 0.46085075551051 0.33410257500446 10.811 > 27 36 B 0.34108533208298 0.46085075551051 0.33410257500446 10.811 > 28 37 B 0.00000000000000 0.10083249585324 0.34974572976354 10.811 > 29 38 B 0.50000000000000 0.34825730167748 0.44372977249774 10.811 > 30 39 B 0.23474022107745 0.07915026993876 0.46868501494760 10.811 > 31 40 B 0.76525977892255 0.07915026993876 0.46868501494760 10.811 > 32 41 B 0.23474022107745 0.92084973006124 0.53131498505240 10.811 > 9 42 B 0.76525977892255 0.92084973006124 0.53131498505240 10.811 > 10 43 B 0.50000000000000 0.65174269832252 0.55627022750226 10.811 > 11 44 B 0.00000000000000 0.89916750414677 0.65025427023646 10.811 > 12 45 B 0.65891466791702 0.53914924448949 0.66589742499553 10.811 > 13 46 B 0.34108533208298 0.53914924448949 0.66589742499553 10.811 > 14 47 B 0.84108533208298 0.53914924448949 0.83410257500447 10.811 > 15 48 B 0.15891466791702 0.53914924448949 0.83410257500447 10.811 > 16 49 B 0.50000000000000 0.89916750414677 0.84974572976354 10.811 > 17 50 B 0.00000000000000 0.65174269832252 0.94372977249774 10.811 > 18 51 B 0.26525977892255 0.92084973006124 0.96868501494760 10.811 > 19 52 B 0.73474022107745 0.92084973006124 0.96868501494760 10.811 > 20 53 B 0.76525977892255 0.57915026993876 0.03131498505240 10.811 > 21 54 B 0.23474022107745 0.57915026993876 0.03131498505240 10.811 > 22 55 B 0.50000000000000 0.84825730167748 0.05627022750226 10.811 > 23 56 B 0.00000000000000 0.60083249585323 0.15025427023646 10.811 > 24 57 B 0.34108533208298 0.96085075551051 0.16589742499554 10.811 > 25 58 B 0.65891466791702 0.96085075551051 0.16589742499554 10.811 > 26 59 B 0.15891466791702 0.96085075551051 0.33410257500446 10.811 > 27 60 B 0.84108533208298 0.96085075551051 0.33410257500446 10.811 > 28 61 B 0.50000000000000 0.60083249585323 0.34974572976354 10.811 > 29 62 B 0.00000000000000 0.84825730167748 0.44372977249774 10.811 > 30 63 B 0.73474022107745 0.57915026993876 0.46868501494760 10.811 > 31 64 B 0.26525977892255 0.57915026993876 0.46868501494760 10.811 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.155341099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.961507380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.402689779999998 Atomic positions (fractional): *1 Li 0.25000000000000 0.17402638447576 0.65979940326978 6.941 > 1 2 Li 0.75000000000000 0.17402638447576 0.65979940326978 6.941 > 1 3 Li 0.00000000000000 0.17402638447576 0.84020059673022 6.941 > 2 4 Li 0.50000000000000 0.17402638447576 0.84020059673022 6.941 > 2 5 Li 0.25000000000000 0.32597361552424 0.15979940326978 6.941 > 3 6 Li 0.75000000000000 0.32597361552424 0.15979940326978 6.941 > 3 7 Li 0.00000000000000 0.32597361552424 0.34020059673022 6.941 > 4 8 Li 0.50000000000000 0.32597361552424 0.34020059673022 6.941 > 4 9 Li 0.00000000000000 0.67402638447576 0.65979940326978 6.941 > 1 10 Li 0.50000000000000 0.67402638447576 0.65979940326978 6.941 > 1 11 Li 0.25000000000000 0.67402638447576 0.84020059673022 6.941 > 2 12 Li 0.75000000000000 0.67402638447576 0.84020059673022 6.941 > 2 13 Li 0.00000000000000 0.82597361552424 0.15979940326978 6.941 > 3 14 Li 0.50000000000000 0.82597361552424 0.15979940326978 6.941 > 3 15 Li 0.25000000000000 0.82597361552424 0.34020059673022 6.941 > 4 16 Li 0.75000000000000 0.82597361552424 0.34020059673022 6.941 > 4 *17 Si 0.00000000000000 0.33375028438142 0.62097053074147 28.085 > 5 18 Si 0.50000000000000 0.33375028438142 0.62097053074147 28.085 > 5 19 Si 0.25000000000000 0.33375028438142 0.87902946925853 28.085 > 6 20 Si 0.75000000000000 0.33375028438142 0.87902946925853 28.085 > 6 21 Si 0.00000000000000 0.16624971561858 0.12097053074147 28.085 > 7 22 Si 0.50000000000000 0.16624971561858 0.12097053074147 28.085 > 7 23 Si 0.25000000000000 0.16624971561858 0.37902946925853 28.085 > 8 24 Si 0.75000000000000 0.16624971561858 0.37902946925853 28.085 > 8 25 Si 0.25000000000000 0.83375028438142 0.62097053074147 28.085 > 5 26 Si 0.75000000000000 0.83375028438142 0.62097053074147 28.085 > 5 27 Si 0.00000000000000 0.83375028438142 0.87902946925853 28.085 > 6 28 Si 0.50000000000000 0.83375028438142 0.87902946925853 28.085 > 6 29 Si 0.25000000000000 0.66624971561858 0.12097053074147 28.085 > 7 30 Si 0.75000000000000 0.66624971561858 0.12097053074147 28.085 > 7 31 Si 0.00000000000000 0.66624971561858 0.37902946925853 28.085 > 8 32 Si 0.50000000000000 0.66624971561858 0.37902946925853 28.085 > 8 *33 B 0.36737011053872 0.42084973006124 0.53131498505240 10.811 > 9 34 B 0.86737011053872 0.42084973006124 0.53131498505240 10.811 > 9 35 B 0.13262988946128 0.42084973006124 0.53131498505240 10.811 > 10 36 B 0.63262988946128 0.42084973006124 0.53131498505240 10.811 > 10 *37 B 0.00000000000000 0.15174269832252 0.55627022750226 10.811 > 11 38 B 0.50000000000000 0.15174269832252 0.55627022750226 10.811 > 11 *39 B 0.25000000000000 0.39916750414676 0.65025427023646 10.811 > 12 40 B 0.75000000000000 0.39916750414676 0.65025427023646 10.811 > 12 *41 B 0.07945733395851 0.03914924448949 0.66589742499553 10.811 > 13 42 B 0.57945733395851 0.03914924448949 0.66589742499553 10.811 > 13 43 B 0.42054266604149 0.03914924448949 0.66589742499553 10.811 > 14 44 B 0.92054266604149 0.03914924448949 0.66589742499553 10.811 > 14 45 B 0.17054266604149 0.03914924448949 0.83410257500447 10.811 > 15 46 B 0.67054266604149 0.03914924448949 0.83410257500447 10.811 > 15 47 B 0.32945733395851 0.03914924448949 0.83410257500447 10.811 > 16 48 B 0.82945733395851 0.03914924448949 0.83410257500447 10.811 > 16 49 B 0.00000000000000 0.39916750414676 0.84974572976354 10.811 > 17 50 B 0.50000000000000 0.39916750414676 0.84974572976354 10.811 > 17 51 B 0.25000000000000 0.15174269832252 0.94372977249774 10.811 > 18 52 B 0.75000000000000 0.15174269832252 0.94372977249774 10.811 > 18 53 B 0.38262988946128 0.42084973006124 0.96868501494760 10.811 > 19 54 B 0.88262988946128 0.42084973006124 0.96868501494760 10.811 > 19 55 B 0.11737011053872 0.42084973006124 0.96868501494760 10.811 > 20 56 B 0.61737011053872 0.42084973006124 0.96868501494760 10.811 > 20 57 B 0.13262988946128 0.07915026993876 0.03131498505240 10.811 > 21 58 B 0.63262988946128 0.07915026993876 0.03131498505240 10.811 > 21 59 B 0.36737011053872 0.07915026993876 0.03131498505240 10.811 > 22 60 B 0.86737011053872 0.07915026993876 0.03131498505240 10.811 > 22 61 B 0.00000000000000 0.34825730167748 0.05627022750226 10.811 > 23 62 B 0.50000000000000 0.34825730167748 0.05627022750226 10.811 > 23 63 B 0.25000000000000 0.10083249585324 0.15025427023646 10.811 > 24 64 B 0.75000000000000 0.10083249585324 0.15025427023646 10.811 > 24 65 B 0.42054266604149 0.46085075551051 0.16589742499554 10.811 > 25 66 B 0.92054266604149 0.46085075551051 0.16589742499554 10.811 > 25 67 B 0.07945733395851 0.46085075551051 0.16589742499554 10.811 > 26 68 B 0.57945733395851 0.46085075551051 0.16589742499554 10.811 > 26 69 B 0.32945733395851 0.46085075551051 0.33410257500446 10.811 > 27 70 B 0.82945733395851 0.46085075551051 0.33410257500446 10.811 > 27 71 B 0.17054266604149 0.46085075551051 0.33410257500446 10.811 > 28 72 B 0.67054266604149 0.46085075551051 0.33410257500446 10.811 > 28 73 B 0.00000000000000 0.10083249585324 0.34974572976354 10.811 > 29 74 B 0.50000000000000 0.10083249585324 0.34974572976354 10.811 > 29 75 B 0.25000000000000 0.34825730167748 0.44372977249774 10.811 > 30 76 B 0.75000000000000 0.34825730167748 0.44372977249774 10.811 > 30 77 B 0.11737011053872 0.07915026993876 0.46868501494760 10.811 > 31 78 B 0.61737011053872 0.07915026993876 0.46868501494760 10.811 > 31 79 B 0.38262988946128 0.07915026993876 0.46868501494760 10.811 > 32 80 B 0.88262988946128 0.07915026993876 0.46868501494760 10.811 > 32 81 B 0.11737011053872 0.92084973006124 0.53131498505240 10.811 > 9 82 B 0.61737011053872 0.92084973006124 0.53131498505240 10.811 > 9 83 B 0.38262988946128 0.92084973006124 0.53131498505240 10.811 > 10 84 B 0.88262988946128 0.92084973006124 0.53131498505240 10.811 > 10 85 B 0.25000000000000 0.65174269832252 0.55627022750226 10.811 > 11 86 B 0.75000000000000 0.65174269832252 0.55627022750226 10.811 > 11 87 B 0.00000000000000 0.89916750414677 0.65025427023646 10.811 > 12 88 B 0.50000000000000 0.89916750414677 0.65025427023646 10.811 > 12 89 B 0.32945733395851 0.53914924448949 0.66589742499553 10.811 > 13 90 B 0.82945733395851 0.53914924448949 0.66589742499553 10.811 > 13 91 B 0.17054266604149 0.53914924448949 0.66589742499553 10.811 > 14 92 B 0.67054266604149 0.53914924448949 0.66589742499553 10.811 > 14 93 B 0.42054266604149 0.53914924448949 0.83410257500447 10.811 > 15 94 B 0.92054266604149 0.53914924448949 0.83410257500447 10.811 > 15 95 B 0.07945733395851 0.53914924448949 0.83410257500447 10.811 > 16 96 B 0.57945733395851 0.53914924448949 0.83410257500447 10.811 > 16 97 B 0.25000000000000 0.89916750414677 0.84974572976354 10.811 > 17 98 B 0.75000000000000 0.89916750414677 0.84974572976354 10.811 > 17 99 B 0.00000000000000 0.65174269832252 0.94372977249774 10.811 > 18 100 B 0.50000000000000 0.65174269832252 0.94372977249774 10.811 > 18 101 B 0.13262988946128 0.92084973006124 0.96868501494760 10.811 > 19 102 B 0.63262988946128 0.92084973006124 0.96868501494760 10.811 > 19 103 B 0.36737011053872 0.92084973006124 0.96868501494760 10.811 > 20 104 B 0.86737011053872 0.92084973006124 0.96868501494760 10.811 > 20 105 B 0.38262988946128 0.57915026993876 0.03131498505240 10.811 > 21 106 B 0.88262988946128 0.57915026993876 0.03131498505240 10.811 > 21 107 B 0.11737011053872 0.57915026993876 0.03131498505240 10.811 > 22 108 B 0.61737011053872 0.57915026993876 0.03131498505240 10.811 > 22 109 B 0.25000000000000 0.84825730167748 0.05627022750226 10.811 > 23 110 B 0.75000000000000 0.84825730167748 0.05627022750226 10.811 > 23 111 B 0.00000000000000 0.60083249585323 0.15025427023646 10.811 > 24 112 B 0.50000000000000 0.60083249585323 0.15025427023646 10.811 > 24 113 B 0.17054266604149 0.96085075551051 0.16589742499554 10.811 > 25 114 B 0.67054266604149 0.96085075551051 0.16589742499554 10.811 > 25 115 B 0.32945733395851 0.96085075551051 0.16589742499554 10.811 > 26 116 B 0.82945733395851 0.96085075551051 0.16589742499554 10.811 > 26 117 B 0.07945733395851 0.96085075551051 0.33410257500446 10.811 > 27 118 B 0.57945733395851 0.96085075551051 0.33410257500446 10.811 > 27 119 B 0.42054266604149 0.96085075551051 0.33410257500446 10.811 > 28 120 B 0.92054266604149 0.96085075551051 0.33410257500446 10.811 > 28 121 B 0.25000000000000 0.60083249585323 0.34974572976354 10.811 > 29 122 B 0.75000000000000 0.60083249585323 0.34974572976354 10.811 > 29 123 B 0.00000000000000 0.84825730167748 0.44372977249774 10.811 > 30 124 B 0.50000000000000 0.84825730167748 0.44372977249774 10.811 > 30 125 B 0.36737011053872 0.57915026993876 0.46868501494760 10.811 > 31 126 B 0.86737011053872 0.57915026993876 0.46868501494760 10.811 > 31 127 B 0.13262988946128 0.57915026993876 0.46868501494760 10.811 > 32 128 B 0.63262988946128 0.57915026993876 0.46868501494760 10.811 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.6689469 0.0000000 0.0000000 0.0000000 8.1667899 0.0000000 0.0000000 0.0000000 8.2847352 -------------------------- Born effective charges -------------------------- 1 Li 1.1541369 0.0000000 0.0000000 0.0000000 1.3511096 -0.0503936 0.0000000 -0.0843550 1.4770088 2 Li 1.1541369 0.0000000 0.0000000 0.0000000 1.3511096 0.0503936 0.0000000 0.0843550 1.4770088 3 Li 1.1541369 0.0000000 0.0000000 0.0000000 1.3511096 0.0503936 0.0000000 0.0843550 1.4770088 4 Li 1.1541369 0.0000000 0.0000000 0.0000000 1.3511096 -0.0503936 0.0000000 -0.0843550 1.4770088 5 Si 0.8179181 0.0000000 0.0000000 0.0000000 0.9945539 0.2773964 0.0000000 0.2503104 0.5094706 6 Si 0.8179181 0.0000000 0.0000000 0.0000000 0.9945539 -0.2773964 0.0000000 -0.2503104 0.5094706 7 Si 0.8179181 0.0000000 0.0000000 0.0000000 0.9945539 -0.2773964 0.0000000 -0.2503104 0.5094706 8 Si 0.8179181 0.0000000 0.0000000 0.0000000 0.9945539 0.2773964 0.0000000 0.2503104 0.5094706 9 B -0.1843482 -0.3078944 0.2772350 -0.2754264 -0.5306658 -0.1637805 0.2772182 -0.1132600 -0.6912793 10 B -0.1843482 0.3078944 -0.2772350 0.2754264 -0.5306658 -0.1637805 -0.2772182 -0.1132600 -0.6912793 11 B -0.6002032 0.0000000 0.0000000 0.0000000 0.2320149 0.2258631 0.0000000 0.3227358 -0.7765082 12 B -0.5483977 0.0000000 0.0000000 0.0000000 -0.6044334 -0.3172839 0.0000000 -0.4552136 0.1382143 13 B -0.2273789 -0.0068375 0.3336461 -0.0426374 -0.4559567 -0.0487231 0.2226612 -0.0297306 0.0171865 14 B -0.2273789 0.0068375 -0.3336461 0.0426374 -0.4559567 -0.0487231 -0.2226612 -0.0297306 0.0171865 15 B -0.2273789 0.0068375 0.3336461 0.0426374 -0.4559567 0.0487231 0.2226612 0.0297306 0.0171865 16 B -0.2273789 -0.0068375 -0.3336461 -0.0426374 -0.4559567 0.0487231 -0.2226612 0.0297306 0.0171865 17 B -0.5483977 0.0000000 0.0000000 0.0000000 -0.6044334 0.3172839 0.0000000 0.4552136 0.1382143 18 B -0.6002032 0.0000000 0.0000000 0.0000000 0.2320149 -0.2258631 0.0000000 -0.3227358 -0.7765082 19 B -0.1843482 0.3078944 0.2772350 0.2754264 -0.5306658 0.1637805 0.2772182 0.1132600 -0.6912793 20 B -0.1843482 -0.3078944 -0.2772350 -0.2754264 -0.5306658 0.1637805 -0.2772182 0.1132600 -0.6912793 21 B -0.1843482 -0.3078944 -0.2772350 -0.2754264 -0.5306658 0.1637805 -0.2772182 0.1132600 -0.6912793 22 B -0.1843482 0.3078944 0.2772350 0.2754264 -0.5306658 0.1637805 0.2772182 0.1132600 -0.6912793 23 B -0.6002032 0.0000000 0.0000000 0.0000000 0.2320149 -0.2258631 0.0000000 -0.3227358 -0.7765082 24 B -0.5483977 0.0000000 0.0000000 0.0000000 -0.6044334 0.3172839 0.0000000 0.4552136 0.1382143 25 B -0.2273789 -0.0068375 -0.3336461 -0.0426374 -0.4559567 0.0487231 -0.2226612 0.0297306 0.0171865 26 B -0.2273789 0.0068375 0.3336461 0.0426374 -0.4559567 0.0487231 0.2226612 0.0297306 0.0171865 27 B -0.2273789 0.0068375 -0.3336461 0.0426374 -0.4559567 -0.0487231 -0.2226612 -0.0297306 0.0171865 28 B -0.2273789 -0.0068375 0.3336461 -0.0426374 -0.4559567 -0.0487231 0.2226612 -0.0297306 0.0171865 29 B -0.5483977 0.0000000 0.0000000 0.0000000 -0.6044334 -0.3172839 0.0000000 -0.4552136 0.1382143 30 B -0.6002032 0.0000000 0.0000000 0.0000000 0.2320149 0.2258631 0.0000000 0.3227358 -0.7765082 31 B -0.1843482 0.3078944 -0.2772350 0.2754264 -0.5306658 -0.1637805 -0.2772182 -0.1132600 -0.6912793 32 B -0.1843482 -0.3078944 0.2772350 -0.2754264 -0.5306658 -0.1637805 0.2772182 -0.1132600 -0.6912793 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 24000/24000 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2480 Number of blocks in projector: 2480 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 336 Use standard eigh solver. Tree of FC basis block matrices: - (2480, 2442), data: False |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 66), data: True |-- (250, 238), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.849 Solver_block: 200 / 480 - Time: 0.808 Solver_block: 300 / 480 - Time: 0.802 Solver_block: 400 / 480 - Time: 0.808 Solver_block: 480 / 480 - Time: 0.671 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.118 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 24000/24000 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2480 Number of blocks in projector: 2480 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 238 eigenvectors found. (2) Block: 500 / 576 (2) 238 eigenvectors found. (2) Block: 576 / 576 (2) 66 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 564 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 336 Use standard eigh solver. Tree of FC basis block matrices: - (2480, 2442), data: False |-- (336, 330), data: True |-- (336, 330), data: True |-- (336, 330), data: True |-- (448, 444), data: True |-- (448, 444), data: True |-- (576, 564), data: False |-- (576, 564), data: False |-- (576, 22), data: (576, 34) @ (34, 22) |-- (76, 66), data: True |-- (250, 238), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:34:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:34:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.038835275000000 -5.480753690000000 0.000000000000000 b 3.038835275000000 5.480753690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.402689779999998 Atomic positions (fractional): 1 Li 0.32597361552424 0.67402638447576 0.65979940326978 6.941 2 Li 0.82597361552424 0.17402638447576 0.84020059673022 6.941 3 Li 0.17402638447576 0.82597361552424 0.15979940326978 6.941 4 Li 0.67402638447576 0.32597361552424 0.34020059673022 6.941 5 Si 0.66624971561858 0.33375028438142 0.62097053074147 28.085 6 Si 0.16624971561858 0.83375028438142 0.87902946925853 28.085 7 Si 0.83375028438142 0.16624971561858 0.12097053074147 28.085 8 Si 0.33375028438142 0.66624971561858 0.37902946925853 28.085 9 B 0.31389049101620 0.15558995113869 0.53131498505240 10.811 10 B 0.84441004886131 0.68610950898380 0.53131498505240 10.811 11 B 0.84825730167748 0.15174269832252 0.55627022750226 10.811 12 B 0.10083249585324 0.89916750414677 0.65025427023646 10.811 13 B 0.11976542342753 0.19806391240652 0.66589742499553 10.811 14 B 0.80193608759348 0.88023457657247 0.66589742499553 10.811 15 B 0.30193608759348 0.38023457657247 0.83410257500447 10.811 16 B 0.61976542342753 0.69806391240652 0.83410257500447 10.811 17 B 0.60083249585323 0.39916750414676 0.84974572976354 10.811 18 B 0.34825730167748 0.65174269832252 0.94372977249774 10.811 19 B 0.34441004886131 0.18610950898380 0.96868501494760 10.811 20 B 0.81389049101620 0.65558995113869 0.96868501494760 10.811 21 B 0.18610950898380 0.34441004886131 0.03131498505240 10.811 22 B 0.65558995113869 0.81389049101620 0.03131498505240 10.811 23 B 0.65174269832252 0.34825730167748 0.05627022750226 10.811 24 B 0.39916750414676 0.60083249585323 0.15025427023646 10.811 25 B 0.38023457657247 0.30193608759348 0.16589742499554 10.811 26 B 0.69806391240652 0.61976542342753 0.16589742499554 10.811 27 B 0.19806391240652 0.11976542342753 0.33410257500446 10.811 28 B 0.88023457657247 0.80193608759348 0.33410257500446 10.811 29 B 0.89916750414677 0.10083249585324 0.34974572976354 10.811 30 B 0.15174269832252 0.84825730167748 0.44372977249774 10.811 31 B 0.15558995113869 0.31389049101620 0.46868501494760 10.811 32 B 0.68610950898380 0.84441004886131 0.46868501494760 10.811 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.155341099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.961507380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.402689779999998 Atomic positions (fractional): 1 Li 0.25000000000000 0.17402638447576 0.65979940326978 6.941 > 1 2 Li 0.75000000000000 0.17402638447576 0.65979940326978 6.941 > 1 3 Li 0.00000000000000 0.17402638447576 0.84020059673022 6.941 > 3 4 Li 0.50000000000000 0.17402638447576 0.84020059673022 6.941 > 3 5 Li 0.25000000000000 0.32597361552424 0.15979940326978 6.941 > 5 6 Li 0.75000000000000 0.32597361552424 0.15979940326978 6.941 > 5 7 Li 0.00000000000000 0.32597361552424 0.34020059673022 6.941 > 7 8 Li 0.50000000000000 0.32597361552424 0.34020059673022 6.941 > 7 9 Li 0.00000000000000 0.67402638447576 0.65979940326978 6.941 > 1 10 Li 0.50000000000000 0.67402638447576 0.65979940326978 6.941 > 1 11 Li 0.25000000000000 0.67402638447576 0.84020059673022 6.941 > 3 12 Li 0.75000000000000 0.67402638447576 0.84020059673022 6.941 > 3 13 Li 0.00000000000000 0.82597361552424 0.15979940326978 6.941 > 5 14 Li 0.50000000000000 0.82597361552424 0.15979940326978 6.941 > 5 15 Li 0.25000000000000 0.82597361552424 0.34020059673022 6.941 > 7 16 Li 0.75000000000000 0.82597361552424 0.34020059673022 6.941 > 7 17 Si 0.00000000000000 0.33375028438142 0.62097053074147 28.085 > 17 18 Si 0.50000000000000 0.33375028438142 0.62097053074147 28.085 > 17 19 Si 0.25000000000000 0.33375028438142 0.87902946925853 28.085 > 19 20 Si 0.75000000000000 0.33375028438142 0.87902946925853 28.085 > 19 21 Si 0.00000000000000 0.16624971561858 0.12097053074147 28.085 > 21 22 Si 0.50000000000000 0.16624971561858 0.12097053074147 28.085 > 21 23 Si 0.25000000000000 0.16624971561858 0.37902946925853 28.085 > 23 24 Si 0.75000000000000 0.16624971561858 0.37902946925853 28.085 > 23 25 Si 0.25000000000000 0.83375028438142 0.62097053074147 28.085 > 17 26 Si 0.75000000000000 0.83375028438142 0.62097053074147 28.085 > 17 27 Si 0.00000000000000 0.83375028438142 0.87902946925853 28.085 > 19 28 Si 0.50000000000000 0.83375028438142 0.87902946925853 28.085 > 19 29 Si 0.25000000000000 0.66624971561858 0.12097053074147 28.085 > 21 30 Si 0.75000000000000 0.66624971561858 0.12097053074147 28.085 > 21 31 Si 0.00000000000000 0.66624971561858 0.37902946925853 28.085 > 23 32 Si 0.50000000000000 0.66624971561858 0.37902946925853 28.085 > 23 33 B 0.36737011053872 0.42084973006124 0.53131498505240 10.811 > 33 34 B 0.86737011053872 0.42084973006124 0.53131498505240 10.811 > 33 35 B 0.13262988946128 0.42084973006124 0.53131498505240 10.811 > 35 36 B 0.63262988946128 0.42084973006124 0.53131498505240 10.811 > 35 37 B 0.00000000000000 0.15174269832252 0.55627022750226 10.811 > 37 38 B 0.50000000000000 0.15174269832252 0.55627022750226 10.811 > 37 39 B 0.25000000000000 0.39916750414676 0.65025427023646 10.811 > 39 40 B 0.75000000000000 0.39916750414676 0.65025427023646 10.811 > 39 41 B 0.07945733395851 0.03914924448949 0.66589742499553 10.811 > 41 42 B 0.57945733395851 0.03914924448949 0.66589742499553 10.811 > 41 43 B 0.42054266604149 0.03914924448949 0.66589742499553 10.811 > 43 44 B 0.92054266604149 0.03914924448949 0.66589742499553 10.811 > 43 45 B 0.17054266604149 0.03914924448949 0.83410257500447 10.811 > 45 46 B 0.67054266604149 0.03914924448949 0.83410257500447 10.811 > 45 47 B 0.32945733395851 0.03914924448949 0.83410257500447 10.811 > 47 48 B 0.82945733395851 0.03914924448949 0.83410257500447 10.811 > 47 49 B 0.00000000000000 0.39916750414676 0.84974572976354 10.811 > 49 50 B 0.50000000000000 0.39916750414676 0.84974572976354 10.811 > 49 51 B 0.25000000000000 0.15174269832252 0.94372977249774 10.811 > 51 52 B 0.75000000000000 0.15174269832252 0.94372977249774 10.811 > 51 53 B 0.38262988946128 0.42084973006124 0.96868501494760 10.811 > 53 54 B 0.88262988946128 0.42084973006124 0.96868501494760 10.811 > 53 55 B 0.11737011053872 0.42084973006124 0.96868501494760 10.811 > 55 56 B 0.61737011053872 0.42084973006124 0.96868501494760 10.811 > 55 57 B 0.13262988946128 0.07915026993876 0.03131498505240 10.811 > 57 58 B 0.63262988946128 0.07915026993876 0.03131498505240 10.811 > 57 59 B 0.36737011053872 0.07915026993876 0.03131498505240 10.811 > 59 60 B 0.86737011053872 0.07915026993876 0.03131498505240 10.811 > 59 61 B 0.00000000000000 0.34825730167748 0.05627022750226 10.811 > 61 62 B 0.50000000000000 0.34825730167748 0.05627022750226 10.811 > 61 63 B 0.25000000000000 0.10083249585324 0.15025427023646 10.811 > 63 64 B 0.75000000000000 0.10083249585324 0.15025427023646 10.811 > 63 65 B 0.42054266604149 0.46085075551051 0.16589742499554 10.811 > 65 66 B 0.92054266604149 0.46085075551051 0.16589742499554 10.811 > 65 67 B 0.07945733395851 0.46085075551051 0.16589742499554 10.811 > 67 68 B 0.57945733395851 0.46085075551051 0.16589742499554 10.811 > 67 69 B 0.32945733395851 0.46085075551051 0.33410257500446 10.811 > 69 70 B 0.82945733395851 0.46085075551051 0.33410257500446 10.811 > 69 71 B 0.17054266604149 0.46085075551051 0.33410257500446 10.811 > 71 72 B 0.67054266604149 0.46085075551051 0.33410257500446 10.811 > 71 73 B 0.00000000000000 0.10083249585324 0.34974572976354 10.811 > 73 74 B 0.50000000000000 0.10083249585324 0.34974572976354 10.811 > 73 75 B 0.25000000000000 0.34825730167748 0.44372977249774 10.811 > 75 76 B 0.75000000000000 0.34825730167748 0.44372977249774 10.811 > 75 77 B 0.11737011053872 0.07915026993876 0.46868501494760 10.811 > 77 78 B 0.61737011053872 0.07915026993876 0.46868501494760 10.811 > 77 79 B 0.38262988946128 0.07915026993876 0.46868501494760 10.811 > 79 80 B 0.88262988946128 0.07915026993876 0.46868501494760 10.811 > 79 81 B 0.11737011053872 0.92084973006124 0.53131498505240 10.811 > 33 82 B 0.61737011053872 0.92084973006124 0.53131498505240 10.811 > 33 83 B 0.38262988946128 0.92084973006124 0.53131498505240 10.811 > 35 84 B 0.88262988946128 0.92084973006124 0.53131498505240 10.811 > 35 85 B 0.25000000000000 0.65174269832252 0.55627022750226 10.811 > 37 86 B 0.75000000000000 0.65174269832252 0.55627022750226 10.811 > 37 87 B 0.00000000000000 0.89916750414677 0.65025427023646 10.811 > 39 88 B 0.50000000000000 0.89916750414677 0.65025427023646 10.811 > 39 89 B 0.32945733395851 0.53914924448949 0.66589742499553 10.811 > 41 90 B 0.82945733395851 0.53914924448949 0.66589742499553 10.811 > 41 91 B 0.17054266604149 0.53914924448949 0.66589742499553 10.811 > 43 92 B 0.67054266604149 0.53914924448949 0.66589742499553 10.811 > 43 93 B 0.42054266604149 0.53914924448949 0.83410257500447 10.811 > 45 94 B 0.92054266604149 0.53914924448949 0.83410257500447 10.811 > 45 95 B 0.07945733395851 0.53914924448949 0.83410257500447 10.811 > 47 96 B 0.57945733395851 0.53914924448949 0.83410257500447 10.811 > 47 97 B 0.25000000000000 0.89916750414677 0.84974572976354 10.811 > 49 98 B 0.75000000000000 0.89916750414677 0.84974572976354 10.811 > 49 99 B 0.00000000000000 0.65174269832252 0.94372977249774 10.811 > 51 100 B 0.50000000000000 0.65174269832252 0.94372977249774 10.811 > 51 101 B 0.13262988946128 0.92084973006124 0.96868501494760 10.811 > 53 102 B 0.63262988946128 0.92084973006124 0.96868501494760 10.811 > 53 103 B 0.36737011053872 0.92084973006124 0.96868501494760 10.811 > 55 104 B 0.86737011053872 0.92084973006124 0.96868501494760 10.811 > 55 105 B 0.38262988946128 0.57915026993876 0.03131498505240 10.811 > 57 106 B 0.88262988946128 0.57915026993876 0.03131498505240 10.811 > 57 107 B 0.11737011053872 0.57915026993876 0.03131498505240 10.811 > 59 108 B 0.61737011053872 0.57915026993876 0.03131498505240 10.811 > 59 109 B 0.25000000000000 0.84825730167748 0.05627022750226 10.811 > 61 110 B 0.75000000000000 0.84825730167748 0.05627022750226 10.811 > 61 111 B 0.00000000000000 0.60083249585323 0.15025427023646 10.811 > 63 112 B 0.50000000000000 0.60083249585323 0.15025427023646 10.811 > 63 113 B 0.17054266604149 0.96085075551051 0.16589742499554 10.811 > 65 114 B 0.67054266604149 0.96085075551051 0.16589742499554 10.811 > 65 115 B 0.32945733395851 0.96085075551051 0.16589742499554 10.811 > 67 116 B 0.82945733395851 0.96085075551051 0.16589742499554 10.811 > 67 117 B 0.07945733395851 0.96085075551051 0.33410257500446 10.811 > 69 118 B 0.57945733395851 0.96085075551051 0.33410257500446 10.811 > 69 119 B 0.42054266604149 0.96085075551051 0.33410257500446 10.811 > 71 120 B 0.92054266604149 0.96085075551051 0.33410257500446 10.811 > 71 121 B 0.25000000000000 0.60083249585323 0.34974572976354 10.811 > 73 122 B 0.75000000000000 0.60083249585323 0.34974572976354 10.811 > 73 123 B 0.00000000000000 0.84825730167748 0.44372977249774 10.811 > 75 124 B 0.50000000000000 0.84825730167748 0.44372977249774 10.811 > 75 125 B 0.36737011053872 0.57915026993876 0.46868501494760 10.811 > 77 126 B 0.86737011053872 0.57915026993876 0.46868501494760 10.811 > 77 127 B 0.13262988946128 0.57915026993876 0.46868501494760 10.811 > 79 128 B 0.63262988946128 0.57915026993876 0.46868501494760 10.811 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.6689469 0.0000000 0.0000000 0.0000000 8.1667899 0.0000000 0.0000000 0.0000000 8.2847352 -------------------------- Born effective charges -------------------------- 1 Li 1.1541369 0.0000000 0.0000000 0.0000000 1.3511096 -0.0503936 0.0000000 -0.0843550 1.4770088 2 Li 1.1541369 0.0000000 0.0000000 0.0000000 1.3511096 0.0503936 0.0000000 0.0843550 1.4770088 3 Li 1.1541369 0.0000000 0.0000000 0.0000000 1.3511096 0.0503936 0.0000000 0.0843550 1.4770088 4 Li 1.1541369 0.0000000 0.0000000 0.0000000 1.3511096 -0.0503936 0.0000000 -0.0843550 1.4770088 5 Si 0.8179181 0.0000000 0.0000000 0.0000000 0.9945539 0.2773964 0.0000000 0.2503104 0.5094706 6 Si 0.8179181 0.0000000 0.0000000 0.0000000 0.9945539 -0.2773964 0.0000000 -0.2503104 0.5094706 7 Si 0.8179181 0.0000000 0.0000000 0.0000000 0.9945539 -0.2773964 0.0000000 -0.2503104 0.5094706 8 Si 0.8179181 0.0000000 0.0000000 0.0000000 0.9945539 0.2773964 0.0000000 0.2503104 0.5094706 9 B -0.1843482 -0.3078944 0.2772350 -0.2754264 -0.5306658 -0.1637805 0.2772182 -0.1132600 -0.6912793 10 B -0.1843482 0.3078944 -0.2772350 0.2754264 -0.5306658 -0.1637805 -0.2772182 -0.1132600 -0.6912793 11 B -0.6002032 0.0000000 0.0000000 0.0000000 0.2320149 0.2258631 0.0000000 0.3227358 -0.7765082 12 B -0.5483977 0.0000000 0.0000000 0.0000000 -0.6044334 -0.3172839 0.0000000 -0.4552136 0.1382143 13 B -0.2273789 -0.0068375 0.3336461 -0.0426374 -0.4559567 -0.0487231 0.2226612 -0.0297306 0.0171865 14 B -0.2273789 0.0068375 -0.3336461 0.0426374 -0.4559567 -0.0487231 -0.2226612 -0.0297306 0.0171865 15 B -0.2273789 0.0068375 0.3336461 0.0426374 -0.4559567 0.0487231 0.2226612 0.0297306 0.0171865 16 B -0.2273789 -0.0068375 -0.3336461 -0.0426374 -0.4559567 0.0487231 -0.2226612 0.0297306 0.0171865 17 B -0.5483977 0.0000000 0.0000000 0.0000000 -0.6044334 0.3172839 0.0000000 0.4552136 0.1382143 18 B -0.6002032 0.0000000 0.0000000 0.0000000 0.2320149 -0.2258631 0.0000000 -0.3227358 -0.7765082 19 B -0.1843482 0.3078944 0.2772350 0.2754264 -0.5306658 0.1637805 0.2772182 0.1132600 -0.6912793 20 B -0.1843482 -0.3078944 -0.2772350 -0.2754264 -0.5306658 0.1637805 -0.2772182 0.1132600 -0.6912793 21 B -0.1843482 -0.3078944 -0.2772350 -0.2754264 -0.5306658 0.1637805 -0.2772182 0.1132600 -0.6912793 22 B -0.1843482 0.3078944 0.2772350 0.2754264 -0.5306658 0.1637805 0.2772182 0.1132600 -0.6912793 23 B -0.6002032 0.0000000 0.0000000 0.0000000 0.2320149 -0.2258631 0.0000000 -0.3227358 -0.7765082 24 B -0.5483977 0.0000000 0.0000000 0.0000000 -0.6044334 0.3172839 0.0000000 0.4552136 0.1382143 25 B -0.2273789 -0.0068375 -0.3336461 -0.0426374 -0.4559567 0.0487231 -0.2226612 0.0297306 0.0171865 26 B -0.2273789 0.0068375 0.3336461 0.0426374 -0.4559567 0.0487231 0.2226612 0.0297306 0.0171865 27 B -0.2273789 0.0068375 -0.3336461 0.0426374 -0.4559567 -0.0487231 -0.2226612 -0.0297306 0.0171865 28 B -0.2273789 -0.0068375 0.3336461 -0.0426374 -0.4559567 -0.0487231 0.2226612 -0.0297306 0.0171865 29 B -0.5483977 0.0000000 0.0000000 0.0000000 -0.6044334 -0.3172839 0.0000000 -0.4552136 0.1382143 30 B -0.6002032 0.0000000 0.0000000 0.0000000 0.2320149 0.2258631 0.0000000 0.3227358 -0.7765082 31 B -0.1843482 0.3078944 -0.2772350 0.2754264 -0.5306658 -0.1637805 -0.2772182 -0.1132600 -0.6912793 32 B -0.1843482 -0.3078944 0.2772350 -0.2754264 -0.5306658 -0.1637805 0.2772182 -0.1132600 -0.6912793 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 39, 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[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 04:35:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:35:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 3.038835275000000 -5.480753690000000 0.000000000000000 b 3.038835275000000 5.480753690000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.402689779999998 Atomic positions (fractional): 1 Li 0.32597361552424 0.67402638447576 0.65979940326978 6.941 2 Li 0.82597361552424 0.17402638447576 0.84020059673022 6.941 3 Li 0.17402638447576 0.82597361552424 0.15979940326978 6.941 4 Li 0.67402638447576 0.32597361552424 0.34020059673022 6.941 5 Si 0.66624971561858 0.33375028438142 0.62097053074147 28.085 6 Si 0.16624971561858 0.83375028438142 0.87902946925853 28.085 7 Si 0.83375028438142 0.16624971561858 0.12097053074147 28.085 8 Si 0.33375028438142 0.66624971561858 0.37902946925853 28.085 9 B 0.31389049101620 0.15558995113869 0.53131498505240 10.811 10 B 0.84441004886131 0.68610950898380 0.53131498505240 10.811 11 B 0.84825730167748 0.15174269832252 0.55627022750226 10.811 12 B 0.10083249585324 0.89916750414677 0.65025427023646 10.811 13 B 0.11976542342753 0.19806391240652 0.66589742499553 10.811 14 B 0.80193608759348 0.88023457657247 0.66589742499553 10.811 15 B 0.30193608759348 0.38023457657247 0.83410257500447 10.811 16 B 0.61976542342753 0.69806391240652 0.83410257500447 10.811 17 B 0.60083249585323 0.39916750414676 0.84974572976354 10.811 18 B 0.34825730167748 0.65174269832252 0.94372977249774 10.811 19 B 0.34441004886131 0.18610950898380 0.96868501494760 10.811 20 B 0.81389049101620 0.65558995113869 0.96868501494760 10.811 21 B 0.18610950898380 0.34441004886131 0.03131498505240 10.811 22 B 0.65558995113869 0.81389049101620 0.03131498505240 10.811 23 B 0.65174269832252 0.34825730167748 0.05627022750226 10.811 24 B 0.39916750414676 0.60083249585323 0.15025427023646 10.811 25 B 0.38023457657247 0.30193608759348 0.16589742499554 10.811 26 B 0.69806391240652 0.61976542342753 0.16589742499554 10.811 27 B 0.19806391240652 0.11976542342753 0.33410257500446 10.811 28 B 0.88023457657247 0.80193608759348 0.33410257500446 10.811 29 B 0.89916750414677 0.10083249585324 0.34974572976354 10.811 30 B 0.15174269832252 0.84825730167748 0.44372977249774 10.811 31 B 0.15558995113869 0.31389049101620 0.46868501494760 10.811 32 B 0.68610950898380 0.84441004886131 0.46868501494760 10.811 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.155341099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 10.961507380000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.402689779999998 Atomic positions (fractional): 1 Li 0.25000000000000 0.17402638447576 0.65979940326978 6.941 > 1 2 Li 0.75000000000000 0.17402638447576 0.65979940326978 6.941 > 1 3 Li 0.00000000000000 0.17402638447576 0.84020059673022 6.941 > 3 4 Li 0.50000000000000 0.17402638447576 0.84020059673022 6.941 > 3 5 Li 0.25000000000000 0.32597361552424 0.15979940326978 6.941 > 5 6 Li 0.75000000000000 0.32597361552424 0.15979940326978 6.941 > 5 7 Li 0.00000000000000 0.32597361552424 0.34020059673022 6.941 > 7 8 Li 0.50000000000000 0.32597361552424 0.34020059673022 6.941 > 7 9 Li 0.00000000000000 0.67402638447576 0.65979940326978 6.941 > 1 10 Li 0.50000000000000 0.67402638447576 0.65979940326978 6.941 > 1 11 Li 0.25000000000000 0.67402638447576 0.84020059673022 6.941 > 3 12 Li 0.75000000000000 0.67402638447576 0.84020059673022 6.941 > 3 13 Li 0.00000000000000 0.82597361552424 0.15979940326978 6.941 > 5 14 Li 0.50000000000000 0.82597361552424 0.15979940326978 6.941 > 5 15 Li 0.25000000000000 0.82597361552424 0.34020059673022 6.941 > 7 16 Li 0.75000000000000 0.82597361552424 0.34020059673022 6.941 > 7 17 Si 0.00000000000000 0.33375028438142 0.62097053074147 28.085 > 17 18 Si 0.50000000000000 0.33375028438142 0.62097053074147 28.085 > 17 19 Si 0.25000000000000 0.33375028438142 0.87902946925853 28.085 > 19 20 Si 0.75000000000000 0.33375028438142 0.87902946925853 28.085 > 19 21 Si 0.00000000000000 0.16624971561858 0.12097053074147 28.085 > 21 22 Si 0.50000000000000 0.16624971561858 0.12097053074147 28.085 > 21 23 Si 0.25000000000000 0.16624971561858 0.37902946925853 28.085 > 23 24 Si 0.75000000000000 0.16624971561858 0.37902946925853 28.085 > 23 25 Si 0.25000000000000 0.83375028438142 0.62097053074147 28.085 > 17 26 Si 0.75000000000000 0.83375028438142 0.62097053074147 28.085 > 17 27 Si 0.00000000000000 0.83375028438142 0.87902946925853 28.085 > 19 28 Si 0.50000000000000 0.83375028438142 0.87902946925853 28.085 > 19 29 Si 0.25000000000000 0.66624971561858 0.12097053074147 28.085 > 21 30 Si 0.75000000000000 0.66624971561858 0.12097053074147 28.085 > 21 31 Si 0.00000000000000 0.66624971561858 0.37902946925853 28.085 > 23 32 Si 0.50000000000000 0.66624971561858 0.37902946925853 28.085 > 23 33 B 0.36737011053872 0.42084973006124 0.53131498505240 10.811 > 33 34 B 0.86737011053872 0.42084973006124 0.53131498505240 10.811 > 33 35 B 0.13262988946128 0.42084973006124 0.53131498505240 10.811 > 35 36 B 0.63262988946128 0.42084973006124 0.53131498505240 10.811 > 35 37 B 0.00000000000000 0.15174269832252 0.55627022750226 10.811 > 37 38 B 0.50000000000000 0.15174269832252 0.55627022750226 10.811 > 37 39 B 0.25000000000000 0.39916750414676 0.65025427023646 10.811 > 39 40 B 0.75000000000000 0.39916750414676 0.65025427023646 10.811 > 39 41 B 0.07945733395851 0.03914924448949 0.66589742499553 10.811 > 41 42 B 0.57945733395851 0.03914924448949 0.66589742499553 10.811 > 41 43 B 0.42054266604149 0.03914924448949 0.66589742499553 10.811 > 43 44 B 0.92054266604149 0.03914924448949 0.66589742499553 10.811 > 43 45 B 0.17054266604149 0.03914924448949 0.83410257500447 10.811 > 45 46 B 0.67054266604149 0.03914924448949 0.83410257500447 10.811 > 45 47 B 0.32945733395851 0.03914924448949 0.83410257500447 10.811 > 47 48 B 0.82945733395851 0.03914924448949 0.83410257500447 10.811 > 47 49 B 0.00000000000000 0.39916750414676 0.84974572976354 10.811 > 49 50 B 0.50000000000000 0.39916750414676 0.84974572976354 10.811 > 49 51 B 0.25000000000000 0.15174269832252 0.94372977249774 10.811 > 51 52 B 0.75000000000000 0.15174269832252 0.94372977249774 10.811 > 51 53 B 0.38262988946128 0.42084973006124 0.96868501494760 10.811 > 53 54 B 0.88262988946128 0.42084973006124 0.96868501494760 10.811 > 53 55 B 0.11737011053872 0.42084973006124 0.96868501494760 10.811 > 55 56 B 0.61737011053872 0.42084973006124 0.96868501494760 10.811 > 55 57 B 0.13262988946128 0.07915026993876 0.03131498505240 10.811 > 57 58 B 0.63262988946128 0.07915026993876 0.03131498505240 10.811 > 57 59 B 0.36737011053872 0.07915026993876 0.03131498505240 10.811 > 59 60 B 0.86737011053872 0.07915026993876 0.03131498505240 10.811 > 59 61 B 0.00000000000000 0.34825730167748 0.05627022750226 10.811 > 61 62 B 0.50000000000000 0.34825730167748 0.05627022750226 10.811 > 61 63 B 0.25000000000000 0.10083249585324 0.15025427023646 10.811 > 63 64 B 0.75000000000000 0.10083249585324 0.15025427023646 10.811 > 63 65 B 0.42054266604149 0.46085075551051 0.16589742499554 10.811 > 65 66 B 0.92054266604149 0.46085075551051 0.16589742499554 10.811 > 65 67 B 0.07945733395851 0.46085075551051 0.16589742499554 10.811 > 67 68 B 0.57945733395851 0.46085075551051 0.16589742499554 10.811 > 67 69 B 0.32945733395851 0.46085075551051 0.33410257500446 10.811 > 69 70 B 0.82945733395851 0.46085075551051 0.33410257500446 10.811 > 69 71 B 0.17054266604149 0.46085075551051 0.33410257500446 10.811 > 71 72 B 0.67054266604149 0.46085075551051 0.33410257500446 10.811 > 71 73 B 0.00000000000000 0.10083249585324 0.34974572976354 10.811 > 73 74 B 0.50000000000000 0.10083249585324 0.34974572976354 10.811 > 73 75 B 0.25000000000000 0.34825730167748 0.44372977249774 10.811 > 75 76 B 0.75000000000000 0.34825730167748 0.44372977249774 10.811 > 75 77 B 0.11737011053872 0.07915026993876 0.46868501494760 10.811 > 77 78 B 0.61737011053872 0.07915026993876 0.46868501494760 10.811 > 77 79 B 0.38262988946128 0.07915026993876 0.46868501494760 10.811 > 79 80 B 0.88262988946128 0.07915026993876 0.46868501494760 10.811 > 79 81 B 0.11737011053872 0.92084973006124 0.53131498505240 10.811 > 33 82 B 0.61737011053872 0.92084973006124 0.53131498505240 10.811 > 33 83 B 0.38262988946128 0.92084973006124 0.53131498505240 10.811 > 35 84 B 0.88262988946128 0.92084973006124 0.53131498505240 10.811 > 35 85 B 0.25000000000000 0.65174269832252 0.55627022750226 10.811 > 37 86 B 0.75000000000000 0.65174269832252 0.55627022750226 10.811 > 37 87 B 0.00000000000000 0.89916750414677 0.65025427023646 10.811 > 39 88 B 0.50000000000000 0.89916750414677 0.65025427023646 10.811 > 39 89 B 0.32945733395851 0.53914924448949 0.66589742499553 10.811 > 41 90 B 0.82945733395851 0.53914924448949 0.66589742499553 10.811 > 41 91 B 0.17054266604149 0.53914924448949 0.66589742499553 10.811 > 43 92 B 0.67054266604149 0.53914924448949 0.66589742499553 10.811 > 43 93 B 0.42054266604149 0.53914924448949 0.83410257500447 10.811 > 45 94 B 0.92054266604149 0.53914924448949 0.83410257500447 10.811 > 45 95 B 0.07945733395851 0.53914924448949 0.83410257500447 10.811 > 47 96 B 0.57945733395851 0.53914924448949 0.83410257500447 10.811 > 47 97 B 0.25000000000000 0.89916750414677 0.84974572976354 10.811 > 49 98 B 0.75000000000000 0.89916750414677 0.84974572976354 10.811 > 49 99 B 0.00000000000000 0.65174269832252 0.94372977249774 10.811 > 51 100 B 0.50000000000000 0.65174269832252 0.94372977249774 10.811 > 51 101 B 0.13262988946128 0.92084973006124 0.96868501494760 10.811 > 53 102 B 0.63262988946128 0.92084973006124 0.96868501494760 10.811 > 53 103 B 0.36737011053872 0.92084973006124 0.96868501494760 10.811 > 55 104 B 0.86737011053872 0.92084973006124 0.96868501494760 10.811 > 55 105 B 0.38262988946128 0.57915026993876 0.03131498505240 10.811 > 57 106 B 0.88262988946128 0.57915026993876 0.03131498505240 10.811 > 57 107 B 0.11737011053872 0.57915026993876 0.03131498505240 10.811 > 59 108 B 0.61737011053872 0.57915026993876 0.03131498505240 10.811 > 59 109 B 0.25000000000000 0.84825730167748 0.05627022750226 10.811 > 61 110 B 0.75000000000000 0.84825730167748 0.05627022750226 10.811 > 61 111 B 0.00000000000000 0.60083249585323 0.15025427023646 10.811 > 63 112 B 0.50000000000000 0.60083249585323 0.15025427023646 10.811 > 63 113 B 0.17054266604149 0.96085075551051 0.16589742499554 10.811 > 65 114 B 0.67054266604149 0.96085075551051 0.16589742499554 10.811 > 65 115 B 0.32945733395851 0.96085075551051 0.16589742499554 10.811 > 67 116 B 0.82945733395851 0.96085075551051 0.16589742499554 10.811 > 67 117 B 0.07945733395851 0.96085075551051 0.33410257500446 10.811 > 69 118 B 0.57945733395851 0.96085075551051 0.33410257500446 10.811 > 69 119 B 0.42054266604149 0.96085075551051 0.33410257500446 10.811 > 71 120 B 0.92054266604149 0.96085075551051 0.33410257500446 10.811 > 71 121 B 0.25000000000000 0.60083249585323 0.34974572976354 10.811 > 73 122 B 0.75000000000000 0.60083249585323 0.34974572976354 10.811 > 73 123 B 0.00000000000000 0.84825730167748 0.44372977249774 10.811 > 75 124 B 0.50000000000000 0.84825730167748 0.44372977249774 10.811 > 75 125 B 0.36737011053872 0.57915026993876 0.46868501494760 10.811 > 77 126 B 0.86737011053872 0.57915026993876 0.46868501494760 10.811 > 77 127 B 0.13262988946128 0.57915026993876 0.46868501494760 10.811 > 79 128 B 0.63262988946128 0.57915026993876 0.46868501494760 10.811 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.6689469 0.0000000 0.0000000 0.0000000 8.1667899 0.0000000 0.0000000 0.0000000 8.2847352 -------------------------- Born effective charges -------------------------- 1 Li 1.1541369 0.0000000 0.0000000 0.0000000 1.3511096 -0.0503936 0.0000000 -0.0843550 1.4770088 2 Li 1.1541369 0.0000000 0.0000000 0.0000000 1.3511096 0.0503936 0.0000000 0.0843550 1.4770088 3 Li 1.1541369 0.0000000 0.0000000 0.0000000 1.3511096 0.0503936 0.0000000 0.0843550 1.4770088 4 Li 1.1541369 0.0000000 0.0000000 0.0000000 1.3511096 -0.0503936 0.0000000 -0.0843550 1.4770088 5 Si 0.8179181 0.0000000 0.0000000 0.0000000 0.9945539 0.2773964 0.0000000 0.2503104 0.5094706 6 Si 0.8179181 0.0000000 0.0000000 0.0000000 0.9945539 -0.2773964 0.0000000 -0.2503104 0.5094706 7 Si 0.8179181 0.0000000 0.0000000 0.0000000 0.9945539 -0.2773964 0.0000000 -0.2503104 0.5094706 8 Si 0.8179181 0.0000000 0.0000000 0.0000000 0.9945539 0.2773964 0.0000000 0.2503104 0.5094706 9 B -0.1843482 -0.3078944 0.2772350 -0.2754264 -0.5306658 -0.1637805 0.2772182 -0.1132600 -0.6912793 10 B -0.1843482 0.3078944 -0.2772350 0.2754264 -0.5306658 -0.1637805 -0.2772182 -0.1132600 -0.6912793 11 B -0.6002032 0.0000000 0.0000000 0.0000000 0.2320149 0.2258631 0.0000000 0.3227358 -0.7765082 12 B -0.5483977 0.0000000 0.0000000 0.0000000 -0.6044334 -0.3172839 0.0000000 -0.4552136 0.1382143 13 B -0.2273789 -0.0068375 0.3336461 -0.0426374 -0.4559567 -0.0487231 0.2226612 -0.0297306 0.0171865 14 B -0.2273789 0.0068375 -0.3336461 0.0426374 -0.4559567 -0.0487231 -0.2226612 -0.0297306 0.0171865 15 B -0.2273789 0.0068375 0.3336461 0.0426374 -0.4559567 0.0487231 0.2226612 0.0297306 0.0171865 16 B -0.2273789 -0.0068375 -0.3336461 -0.0426374 -0.4559567 0.0487231 -0.2226612 0.0297306 0.0171865 17 B -0.5483977 0.0000000 0.0000000 0.0000000 -0.6044334 0.3172839 0.0000000 0.4552136 0.1382143 18 B -0.6002032 0.0000000 0.0000000 0.0000000 0.2320149 -0.2258631 0.0000000 -0.3227358 -0.7765082 19 B -0.1843482 0.3078944 0.2772350 0.2754264 -0.5306658 0.1637805 0.2772182 0.1132600 -0.6912793 20 B -0.1843482 -0.3078944 -0.2772350 -0.2754264 -0.5306658 0.1637805 -0.2772182 0.1132600 -0.6912793 21 B -0.1843482 -0.3078944 -0.2772350 -0.2754264 -0.5306658 0.1637805 -0.2772182 0.1132600 -0.6912793 22 B -0.1843482 0.3078944 0.2772350 0.2754264 -0.5306658 0.1637805 0.2772182 0.1132600 -0.6912793 23 B -0.6002032 0.0000000 0.0000000 0.0000000 0.2320149 -0.2258631 0.0000000 -0.3227358 -0.7765082 24 B -0.5483977 0.0000000 0.0000000 0.0000000 -0.6044334 0.3172839 0.0000000 0.4552136 0.1382143 25 B -0.2273789 -0.0068375 -0.3336461 -0.0426374 -0.4559567 0.0487231 -0.2226612 0.0297306 0.0171865 26 B -0.2273789 0.0068375 0.3336461 0.0426374 -0.4559567 0.0487231 0.2226612 0.0297306 0.0171865 27 B -0.2273789 0.0068375 -0.3336461 0.0426374 -0.4559567 -0.0487231 -0.2226612 -0.0297306 0.0171865 28 B -0.2273789 -0.0068375 0.3336461 -0.0426374 -0.4559567 -0.0487231 0.2226612 -0.0297306 0.0171865 29 B -0.5483977 0.0000000 0.0000000 0.0000000 -0.6044334 -0.3172839 0.0000000 -0.4552136 0.1382143 30 B -0.6002032 0.0000000 0.0000000 0.0000000 0.2320149 0.2258631 0.0000000 0.3227358 -0.7765082 31 B -0.1843482 0.3078944 -0.2772350 0.2754264 -0.5306658 -0.1637805 -0.2772182 -0.1132600 -0.6912793 32 B -0.1843482 -0.3078944 0.2772350 -0.2754264 -0.5306658 -0.1637805 0.2772182 -0.1132600 -0.6912793 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 299, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/100) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 100 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 4.241 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.906 ( 0.000 0.000 0.000) 0.000 7.132 ( 0.000 0.000 0.000) 0.000 7.285 ( 0.000 0.000 0.000) 0.000 7.295 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 8.493 ( 0.000 0.000 0.000) 0.000 8.834 ( 0.000 0.000 0.000) 0.000 9.535 ( 0.000 0.000 0.000) 0.000 9.545 ( 0.000 0.000 0.000) 0.000 9.576 ( 0.000 0.000 0.000) 0.000 9.789 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 10.141 ( 0.000 0.000 0.000) 0.000 10.848 ( 0.000 0.000 0.000) 0.000 11.043 ( 0.000 0.000 0.000) 0.000 11.312 ( 0.000 0.000 0.000) 0.000 11.407 ( 0.000 0.000 0.000) 0.000 11.731 ( 0.000 0.000 0.000) 0.000 12.670 ( 0.000 0.000 0.000) 0.000 12.718 ( 0.000 0.000 0.000) 0.000 12.888 ( 0.000 0.000 0.000) 0.000 13.528 ( 0.000 0.000 0.000) 0.000 13.636 ( 0.000 0.000 0.000) 0.000 13.750 ( 0.000 0.000 0.000) 0.000 14.375 ( 0.000 0.000 0.000) 0.000 14.503 ( 0.000 0.000 0.000) 0.000 14.900 ( 0.000 0.000 0.000) 0.000 15.297 ( 0.000 0.000 0.000) 0.000 15.428 ( 0.000 0.000 0.000) 0.000 15.570 ( 0.000 0.000 0.000) 0.000 16.170 ( 0.000 0.000 0.000) 0.000 16.219 ( 0.000 0.000 0.000) 0.000 16.478 ( 0.000 0.000 0.000) 0.000 16.525 ( 0.000 0.000 0.000) 0.000 16.587 ( 0.000 0.000 0.000) 0.000 17.426 ( 0.000 0.000 0.000) 0.000 17.434 ( 0.000 0.000 0.000) 0.000 17.800 ( 0.000 0.000 0.000) 0.000 17.975 ( 0.000 0.000 0.000) 0.000 18.078 ( 0.000 0.000 0.000) 0.000 18.231 ( 0.000 0.000 0.000) 0.000 18.691 ( 0.000 0.000 0.000) 0.000 18.782 ( 0.000 0.000 0.000) 0.000 19.002 ( 0.000 0.000 0.000) 0.000 19.965 ( 0.000 0.000 0.000) 0.000 20.104 ( 0.000 0.000 0.000) 0.000 20.617 ( 0.000 0.000 0.000) 0.000 20.806 ( 0.000 0.000 0.000) 0.000 21.044 ( 0.000 0.000 0.000) 0.000 21.095 ( 0.000 0.000 0.000) 0.000 21.350 ( 0.000 0.000 0.000) 0.000 21.413 ( 0.000 0.000 0.000) 0.000 21.492 ( 0.000 0.000 0.000) 0.000 21.499 ( 0.000 0.000 0.000) 0.000 21.884 ( 0.000 0.000 0.000) 0.000 21.942 ( 0.000 0.000 0.000) 0.000 22.103 ( 0.000 0.000 0.000) 0.000 22.335 ( 0.000 0.000 0.000) 0.000 22.340 ( 0.000 0.000 0.000) 0.000 22.477 ( 0.000 0.000 0.000) 0.000 23.007 ( 0.000 0.000 0.000) 0.000 23.039 ( 0.000 0.000 0.000) 0.000 23.322 ( 0.000 0.000 0.000) 0.000 23.431 ( 0.000 0.000 0.000) 0.000 23.616 ( 0.000 0.000 0.000) 0.000 23.815 ( 0.000 0.000 0.000) 0.000 24.710 ( 0.000 0.000 0.000) 0.000 25.272 ( 0.000 0.000 0.000) 0.000 25.276 ( 0.000 0.000 0.000) 0.000 25.371 ( 0.000 0.000 0.000) 0.000 25.465 ( 0.000 0.000 0.000) 0.000 25.790 ( 0.000 0.000 0.000) 0.000 25.912 ( 0.000 0.000 0.000) 0.000 26.213 ( 0.000 0.000 0.000) 0.000 26.326 ( 0.000 0.000 0.000) 0.000 26.635 ( 0.000 0.000 0.000) 0.000 26.828 ( 0.000 0.000 0.000) 0.000 26.849 ( 0.000 0.000 0.000) 0.000 27.242 ( 0.000 0.000 0.000) 0.000 27.270 ( 0.000 0.000 0.000) 0.000 27.325 ( 0.000 0.000 0.000) 0.000 27.409 ( 0.000 0.000 0.000) 0.000 27.454 ( 0.000 0.000 0.000) 0.000 27.662 ( 0.000 0.000 0.000) 0.000 27.774 ( 0.000 0.000 0.000) 0.000 27.904 ( 0.000 0.000 0.000) 0.000 28.523 ( 0.000 0.000 0.000) 0.000 28.770 ( 0.000 0.000 0.000) 0.000 29.356 ( 0.000 0.000 0.000) 0.000 29.697 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/100) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 56.324 -52.492 0.000) 76.992 1.676 ( 74.436 -29.135 0.000) 79.935 2.423 ( 105.267 -43.719 0.000) 113.985 4.320 ( 8.085 -0.878 0.000) 8.132 5.325 ( 26.931 43.983 0.000) 51.573 5.336 ( -0.959 -1.572 0.000) 1.842 5.880 ( -1.967 1.634 0.000) 2.557 7.154 ( 3.394 3.970 0.000) 5.223 7.343 ( 3.055 -3.446 0.000) 4.606 7.519 ( 21.614 -7.117 0.000) 22.755 8.323 ( -1.032 -7.354 0.000) 7.427 8.578 ( 4.926 -12.345 0.000) 13.291 8.846 ( -3.027 -4.288 0.000) 5.249 9.451 ( -8.985 -7.798 0.000) 11.898 9.578 ( 3.096 1.291 0.000) 3.355 9.778 ( -0.169 1.789 0.000) 1.797 9.934 ( 20.459 -6.597 0.000) 21.496 10.113 ( 11.590 4.648 0.000) 12.487 10.204 ( 9.372 -5.636 0.000) 10.936 10.844 ( -3.155 -2.678 0.000) 4.138 11.066 ( 3.551 -2.106 0.000) 4.129 11.304 ( 1.269 3.628 0.000) 3.843 11.485 ( 6.313 7.813 0.000) 10.045 11.802 ( 3.048 -10.234 0.000) 10.678 12.498 ( -9.613 7.666 0.000) 12.295 12.746 ( -7.190 -10.613 0.000) 12.819 12.866 ( -14.749 -11.923 0.000) 18.965 13.451 ( -12.105 -0.284 0.000) 12.108 13.585 ( -8.897 5.591 0.000) 10.508 13.809 ( 1.418 8.461 0.000) 8.579 14.298 ( -9.405 -2.462 0.000) 9.722 14.590 ( 9.806 0.440 0.000) 9.815 14.770 ( -13.591 3.334 0.000) 13.994 15.305 ( 2.841 3.611 0.000) 4.595 15.409 ( -2.644 -1.363 0.000) 2.975 15.552 ( -5.941 -3.448 0.000) 6.869 16.190 ( 2.405 2.732 0.000) 3.640 16.300 ( 9.207 -0.938 0.000) 9.254 16.508 ( -2.105 -7.345 0.000) 7.641 16.579 ( 3.830 4.058 0.000) 5.579 16.597 ( -1.173 -4.506 0.000) 4.656 17.390 ( -2.854 3.328 0.000) 4.384 17.595 ( 10.203 1.614 0.000) 10.330 17.772 ( 5.272 4.838 0.000) 7.156 17.870 ( -10.978 -0.279 0.000) 10.981 17.963 ( -10.600 -0.455 0.000) 10.610 18.217 ( -3.017 -2.272 0.000) 3.777 18.692 ( 0.509 -0.366 0.000) 0.627 18.876 ( 8.115 -0.096 0.000) 8.115 19.044 ( 3.330 -1.761 0.000) 3.767 19.993 ( 0.816 -3.913 0.000) 3.997 20.106 ( 0.158 0.192 0.000) 0.249 20.599 ( -0.766 2.388 0.000) 2.508 20.721 ( -9.543 -0.559 0.000) 9.559 21.012 ( -3.600 0.072 0.000) 3.601 21.096 ( -0.478 -0.642 0.000) 0.801 21.311 ( -5.183 0.654 0.000) 5.224 21.422 ( 3.401 1.531 0.000) 3.730 21.452 ( -2.168 3.700 0.000) 4.288 21.484 ( -0.310 0.677 0.000) 0.744 21.860 ( -1.123 3.090 0.000) 3.288 21.936 ( -0.992 -0.786 0.000) 1.266 22.060 ( -3.728 1.688 0.000) 4.092 22.356 ( 0.728 -0.930 0.000) 1.181 22.416 ( 5.252 1.672 0.000) 5.512 22.471 ( -1.146 -1.126 0.000) 1.607 22.906 ( -5.824 -0.822 0.000) 5.881 23.158 ( 6.850 -0.425 0.000) 6.863 23.224 ( -5.446 2.414 0.000) 5.957 23.523 ( 0.736 3.044 0.000) 3.132 23.583 ( 2.756 -3.046 0.000) 4.108 23.846 ( 1.629 -0.523 0.000) 1.711 24.784 ( 7.645 0.766 0.000) 7.683 25.289 ( 0.964 -0.656 0.000) 1.166 25.295 ( 2.166 -0.039 0.000) 2.166 25.382 ( -1.853 -3.148 0.000) 3.653 25.484 ( 1.540 -0.882 0.000) 1.775 25.780 ( -0.939 0.060 0.000) 0.941 25.911 ( -0.269 -0.270 0.000) 0.381 26.208 ( -0.076 0.885 0.000) 0.888 26.303 ( -2.109 0.777 0.000) 2.248 26.635 ( 0.211 0.502 0.000) 0.545 26.764 ( -6.167 0.333 0.000) 6.176 26.814 ( -3.053 0.904 0.000) 3.184 27.251 ( 0.903 1.619 0.000) 1.854 27.258 ( 0.575 1.149 0.000) 1.284 27.373 ( 3.906 -0.668 0.000) 3.962 27.376 ( -3.758 -0.670 0.000) 3.818 27.439 ( -0.696 1.324 0.000) 1.496 27.690 ( 0.479 1.344 0.000) 1.426 27.779 ( -0.615 -0.936 0.000) 1.120 27.887 ( -2.819 -1.767 0.000) 3.327 28.562 ( 4.088 -0.112 0.000) 4.090 28.775 ( 0.693 0.316 0.000) 0.761 29.331 ( -2.327 0.599 0.000) 2.403 29.654 ( -4.336 0.463 0.000) 4.360 ======================= Grid point 2 (3/100) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.087 ( 51.638 -44.798 0.000) 68.362 3.290 ( 69.630 -28.037 0.000) 75.063 4.420 ( 35.899 -7.380 0.000) 36.650 4.719 ( 54.462 -26.644 0.000) 60.630 5.319 ( -2.930 -1.908 0.000) 3.497 5.500 ( 34.205 8.384 0.000) 35.218 5.801 ( -4.396 2.415 0.000) 5.016 7.150 ( 3.027 9.859 0.000) 10.313 7.470 ( 7.333 -3.730 0.000) 8.227 8.153 ( 33.213 -10.330 0.000) 34.783 8.281 ( -8.100 -6.638 0.000) 10.472 8.703 ( -16.939 -0.614 0.000) 16.951 8.857 ( 4.748 -17.887 0.000) 18.506 9.467 ( 3.496 -6.526 0.000) 7.403 9.736 ( 13.173 -4.131 0.000) 13.805 9.742 ( -0.207 4.187 0.000) 4.192 10.210 ( 4.817 -0.370 0.000) 4.831 10.452 ( 27.065 1.072 0.000) 27.086 10.654 ( 30.349 -1.412 0.000) 30.382 10.783 ( -3.152 0.440 0.000) 3.182 11.273 ( 10.443 -16.328 0.000) 19.382 11.304 ( 4.016 3.251 0.000) 5.167 11.488 ( 7.809 15.933 0.000) 17.744 12.035 ( 11.164 -6.458 0.000) 12.898 12.216 ( -14.214 2.851 0.000) 14.497 12.659 ( -19.079 -10.561 0.000) 21.807 12.662 ( -12.173 -9.031 0.000) 15.157 13.256 ( -11.329 -0.936 0.000) 11.368 13.273 ( -19.293 4.022 0.000) 19.708 13.523 ( -16.029 20.131 0.000) 25.733 14.112 ( -13.619 -3.532 0.000) 14.069 14.418 ( -18.023 5.758 0.000) 18.921 14.820 ( 13.250 -1.411 0.000) 13.325 15.329 ( 4.959 5.817 0.000) 7.644 15.367 ( -4.527 -3.566 0.000) 5.763 15.471 ( -2.615 4.312 0.000) 5.043 16.231 ( 7.007 4.861 0.000) 8.528 16.494 ( 7.759 0.255 0.000) 7.763 16.534 ( -2.607 -6.369 0.000) 6.882 16.626 ( 4.213 3.051 0.000) 5.202 16.679 ( 5.276 -8.828 0.000) 10.284 17.263 ( -6.118 6.024 0.000) 8.586 17.439 ( -10.037 10.955 0.000) 14.858 17.629 ( -15.068 -3.116 0.000) 15.386 17.760 ( -12.061 -1.774 0.000) 12.191 18.113 ( 10.969 1.394 0.000) 11.057 18.221 ( 12.605 -4.819 0.000) 13.494 18.737 ( 3.824 -1.170 0.000) 3.999 19.016 ( 7.047 1.403 0.000) 7.186 19.151 ( 5.845 -2.586 0.000) 6.391 20.065 ( 0.911 -6.497 0.000) 6.561 20.096 ( -0.760 1.217 0.000) 1.435 20.481 ( -16.717 -0.796 0.000) 16.736 20.535 ( -2.235 4.973 0.000) 5.453 20.908 ( -7.145 0.725 0.000) 7.182 21.049 ( -5.899 2.826 0.000) 6.541 21.200 ( -5.087 -3.151 0.000) 5.983 21.370 ( -1.279 5.296 0.000) 5.449 21.488 ( 1.584 0.630 0.000) 1.705 21.496 ( 5.790 1.819 0.000) 6.069 21.794 ( -1.304 4.612 0.000) 4.793 21.925 ( -0.882 -0.412 0.000) 0.974 21.945 ( -6.034 2.296 0.000) 6.456 22.328 ( -6.483 -1.961 0.000) 6.773 22.495 ( 3.339 -0.743 0.000) 3.421 22.507 ( 5.797 1.125 0.000) 5.905 22.827 ( -3.979 -1.129 0.000) 4.136 23.102 ( -4.350 3.735 0.000) 5.734 23.273 ( 5.180 -0.217 0.000) 5.184 23.429 ( -4.553 0.595 0.000) 4.591 23.754 ( 9.774 -0.753 0.000) 9.803 23.901 ( 2.696 -2.448 0.000) 3.642 24.937 ( 9.797 2.029 0.000) 10.005 25.323 ( 1.749 -1.056 0.000) 2.043 25.347 ( 2.571 -0.340 0.000) 2.593 25.376 ( -2.085 -3.292 0.000) 3.897 25.534 ( 2.479 -1.370 0.000) 2.833 25.757 ( -1.416 0.143 0.000) 1.423 25.908 ( -0.350 -0.548 0.000) 0.650 26.196 ( 0.409 1.758 0.000) 1.805 26.237 ( -3.778 1.403 0.000) 4.031 26.619 ( -9.017 -0.027 0.000) 9.017 26.630 ( -0.042 0.875 0.000) 0.876 26.735 ( -3.868 1.365 0.000) 4.101 27.228 ( -0.149 2.595 0.000) 2.599 27.280 ( 2.628 2.281 0.000) 3.480 27.301 ( -4.943 -0.995 0.000) 5.042 27.408 ( -1.389 0.799 0.000) 1.602 27.458 ( 4.295 -0.743 0.000) 4.359 27.677 ( -0.681 0.798 0.000) 1.049 27.776 ( -0.346 -0.109 0.000) 0.363 27.843 ( -4.441 -3.065 0.000) 5.396 28.667 ( 7.107 -0.016 0.000) 7.107 28.794 ( 1.944 0.518 0.000) 2.012 29.261 ( -4.382 1.031 0.000) 4.502 29.535 ( -7.811 0.599 0.000) 7.834 ======================= Grid point 3 (4/100) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.312 ( 37.343 -27.707 0.000) 46.499 4.723 ( 51.154 -23.744 0.000) 56.396 4.799 ( 20.516 -0.876 0.000) 20.535 5.310 ( 5.235 -3.862 0.000) 6.506 5.357 ( 15.658 -3.331 0.000) 16.008 5.669 ( -7.373 2.303 0.000) 7.725 6.815 ( 47.048 -30.695 0.000) 56.176 7.018 ( -4.880 15.822 0.000) 16.557 7.832 ( 40.939 -6.302 0.000) 41.422 8.071 ( -12.142 0.962 0.000) 12.180 8.271 ( -24.502 6.755 0.000) 25.416 8.969 ( 32.357 -17.260 0.000) 36.673 9.082 ( 8.264 -7.035 0.000) 10.853 9.595 ( -1.851 -5.306 0.000) 5.620 9.749 ( 6.154 -2.158 0.000) 6.522 10.073 ( 12.787 -8.781 0.000) 15.512 10.323 ( 6.344 -3.306 0.000) 7.154 10.580 ( -3.352 7.698 0.000) 8.397 10.866 ( 7.122 0.944 0.000) 7.184 11.048 ( 10.859 10.537 0.000) 15.131 11.482 ( 8.646 13.535 0.000) 16.061 11.545 ( 16.293 -12.371 0.000) 20.457 11.796 ( 20.783 -16.536 0.000) 26.559 11.964 ( -12.665 -3.037 0.000) 13.024 12.208 ( -1.500 -8.580 0.000) 8.710 12.499 ( -2.570 1.392 0.000) 2.922 12.544 ( -9.993 -6.711 0.000) 12.037 12.721 ( -25.831 26.449 0.000) 36.970 12.872 ( -15.136 0.713 0.000) 15.152 13.192 ( -9.744 -2.773 0.000) 10.131 13.860 ( -15.276 2.418 0.000) 15.466 14.024 ( -20.030 4.048 0.000) 20.435 15.055 ( 9.372 -2.402 0.000) 9.675 15.326 ( -4.794 -5.974 0.000) 7.660 15.356 ( 3.803 8.762 0.000) 9.551 15.370 ( 0.167 7.412 0.000) 7.413 16.349 ( 9.816 3.620 0.000) 10.462 16.548 ( -2.405 -5.383 0.000) 5.895 16.562 ( 1.982 0.524 0.000) 2.050 16.628 ( 0.327 5.959 0.000) 5.968 16.886 ( 1.828 -0.935 0.000) 2.053 17.102 ( -0.472 -1.983 0.000) 2.039 17.142 ( -9.673 9.065 0.000) 13.257 17.468 ( -5.841 -5.233 0.000) 7.842 17.564 ( -10.913 -1.254 0.000) 10.985 18.044 ( -9.210 -1.393 0.000) 9.314 18.724 ( 26.491 -1.859 0.000) 26.557 18.848 ( 6.130 -1.738 0.000) 6.372 19.111 ( 6.322 1.201 0.000) 6.435 19.311 ( 8.965 -2.463 0.000) 9.297 20.032 ( -5.000 2.932 0.000) 5.797 20.130 ( -6.080 -0.569 0.000) 6.107 20.173 ( -12.747 -7.697 0.000) 14.891 20.420 ( -3.006 7.416 0.000) 8.002 20.761 ( -7.251 0.798 0.000) 7.294 20.846 ( -10.476 2.913 0.000) 10.873 21.200 ( -0.544 -4.267 0.000) 4.302 21.309 ( 0.556 5.160 0.000) 5.190 21.512 ( 1.874 1.977 0.000) 2.725 21.569 ( 3.042 1.066 0.000) 3.223 21.741 ( 0.454 3.346 0.000) 3.376 21.815 ( -5.636 0.964 0.000) 5.718 21.918 ( 0.450 0.465 0.000) 0.647 22.187 ( -9.722 -1.459 0.000) 9.831 22.581 ( 4.654 -0.625 0.000) 4.696 22.604 ( 5.343 -0.381 0.000) 5.357 22.779 ( -2.650 -0.933 0.000) 2.809 22.986 ( -4.189 4.147 0.000) 5.895 23.346 ( 2.828 0.403 0.000) 2.857 23.373 ( -1.497 -0.311 0.000) 1.529 23.925 ( 8.215 0.356 0.000) 8.223 23.984 ( 2.523 -3.652 0.000) 4.439 25.084 ( 9.040 3.251 0.000) 9.606 25.338 ( -4.216 -3.399 0.000) 5.416 25.371 ( 2.227 -1.086 0.000) 2.478 25.416 ( 2.484 -0.471 0.000) 2.528 25.595 ( 2.453 -1.337 0.000) 2.794 25.726 ( -1.709 0.384 0.000) 1.752 25.917 ( 0.757 -0.986 0.000) 1.243 26.143 ( -4.542 1.599 0.000) 4.816 26.193 ( 1.826 2.494 0.000) 3.091 26.451 ( -9.367 -0.767 0.000) 9.398 26.616 ( -0.482 0.806 0.000) 0.939 26.658 ( -2.853 1.193 0.000) 3.092 27.199 ( 0.412 3.275 0.000) 3.301 27.229 ( -4.229 -1.852 0.000) 4.617 27.303 ( 2.618 2.622 0.000) 3.706 27.375 ( -1.905 -0.312 0.000) 1.930 27.536 ( 3.400 -0.524 0.000) 3.440 27.653 ( -1.065 0.696 0.000) 1.272 27.768 ( 0.022 0.960 0.000) 0.960 27.795 ( -4.302 -3.620 0.000) 5.623 28.815 ( 9.000 0.184 0.000) 9.001 28.840 ( 3.660 0.308 0.000) 3.673 29.155 ( -5.792 1.133 0.000) 5.902 29.366 ( -9.873 0.340 0.000) 9.879 ======================= Grid point 4 (5/100) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.863 ( 13.662 -1.929 0.000) 13.797 5.044 ( -7.639 -3.341 0.000) 8.338 5.217 ( 18.016 -0.382 0.000) 18.021 5.478 ( -11.152 1.286 0.000) 11.226 5.889 ( 27.503 -22.801 0.000) 35.725 6.150 ( 46.847 -19.086 0.000) 50.585 6.612 ( -17.015 21.731 0.000) 27.599 7.052 ( -25.035 3.913 0.000) 25.339 7.834 ( -10.007 -0.647 0.000) 10.028 7.867 ( -5.942 4.407 0.000) 7.398 9.106 ( 46.987 -8.408 0.000) 47.733 9.239 ( 3.709 -6.754 0.000) 7.706 9.661 ( 18.682 -13.071 0.000) 22.801 9.666 ( 25.546 -4.023 0.000) 25.860 9.910 ( 2.483 -7.554 0.000) 7.952 10.253 ( 0.990 -5.156 0.000) 5.251 10.387 ( -6.004 10.138 0.000) 11.783 10.517 ( -2.048 -4.258 0.000) 4.725 10.870 ( -5.048 0.761 0.000) 5.105 10.873 ( -18.000 13.726 0.000) 22.637 11.497 ( -2.217 -1.036 0.000) 2.447 11.539 ( -7.826 15.271 0.000) 17.159 11.857 ( -11.146 -20.024 0.000) 22.917 11.884 ( 2.724 14.635 0.000) 14.886 12.103 ( -7.587 -1.317 0.000) 7.700 12.229 ( -10.409 11.962 0.000) 15.857 12.639 ( 15.334 -25.615 0.000) 29.855 12.889 ( 23.861 -4.890 0.000) 24.357 12.977 ( 18.120 -0.287 0.000) 18.122 13.025 ( -4.841 8.386 0.000) 9.683 13.496 ( -20.070 3.152 0.000) 20.316 13.572 ( -24.624 4.537 0.000) 25.038 15.186 ( 1.439 -4.480 0.000) 4.705 15.256 ( -0.146 8.667 0.000) 8.668 15.332 ( -2.111 -7.609 0.000) 7.896 15.366 ( 3.269 7.532 0.000) 8.211 16.467 ( 4.331 0.601 0.000) 4.372 16.533 ( -3.930 0.871 0.000) 4.025 16.563 ( 0.829 1.740 0.000) 1.928 16.573 ( -0.139 0.878 0.000) 0.889 16.815 ( 0.822 0.519 0.000) 0.973 16.926 ( -7.188 3.857 0.000) 8.158 17.264 ( 5.034 -5.490 0.000) 7.448 17.397 ( -7.267 1.034 0.000) 7.340 17.556 ( 10.152 -4.499 0.000) 11.104 17.829 ( -13.457 2.089 0.000) 13.618 18.968 ( 4.264 -1.499 0.000) 4.520 19.004 ( 2.909 0.770 0.000) 3.009 19.385 ( 21.911 -3.390 0.000) 22.172 19.529 ( 12.228 -1.593 0.000) 12.331 19.811 ( -15.302 4.376 0.000) 15.916 19.826 ( -16.257 0.676 0.000) 16.271 20.224 ( -0.925 -8.633 0.000) 8.682 20.303 ( -0.577 8.325 0.000) 8.345 20.656 ( -3.024 -0.051 0.000) 3.025 20.675 ( -4.683 1.432 0.000) 4.897 21.243 ( 0.242 -4.107 0.000) 4.114 21.280 ( 0.824 4.055 0.000) 4.138 21.519 ( 2.788 3.481 0.000) 4.459 21.561 ( -3.463 -1.015 0.000) 3.609 21.740 ( 1.247 1.230 0.000) 1.751 21.750 ( -1.329 -0.534 0.000) 1.432 21.944 ( 3.693 1.126 0.000) 3.861 22.037 ( -7.667 -1.336 0.000) 7.782 22.663 ( 3.736 -0.032 0.000) 3.736 22.697 ( 1.426 -1.650 0.000) 2.181 22.757 ( 1.061 -1.481 0.000) 1.822 22.862 ( -4.781 3.944 0.000) 6.198 23.368 ( -0.093 -0.846 0.000) 0.851 23.371 ( 0.830 0.852 0.000) 1.190 24.032 ( 4.450 1.868 0.000) 4.826 24.046 ( -0.140 -3.317 0.000) 3.320 25.199 ( 7.487 3.907 0.000) 8.446 25.281 ( -5.916 -3.874 0.000) 7.072 25.420 ( 1.888 -0.716 0.000) 2.019 25.443 ( 0.110 0.132 0.000) 0.171 25.647 ( 1.925 -1.018 0.000) 2.178 25.688 ( -1.763 0.690 0.000) 1.893 25.963 ( 2.972 -1.319 0.000) 3.252 26.046 ( -4.310 1.452 0.000) 4.549 26.221 ( 4.355 2.639 0.000) 5.092 26.307 ( -7.507 -1.834 0.000) 7.727 26.603 ( -0.228 0.146 0.000) 0.270 26.612 ( -1.105 0.660 0.000) 1.288 27.181 ( 1.408 3.320 0.000) 3.606 27.188 ( -2.794 -2.779 0.000) 3.940 27.323 ( 2.439 2.328 0.000) 3.372 27.346 ( -2.222 -1.481 0.000) 2.670 27.591 ( 2.107 -0.409 0.000) 2.146 27.625 ( -1.243 0.577 0.000) 1.370 27.760 ( 0.974 2.189 0.000) 2.396 27.765 ( -2.728 -3.283 0.000) 4.269 28.922 ( 5.304 -0.222 0.000) 5.309 28.989 ( 10.113 0.255 0.000) 10.116 29.034 ( -6.147 0.814 0.000) 6.201 29.177 ( -10.509 -0.053 0.000) 10.509 ======================= Grid point 10 (6/100) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.557 ( 70.036 -0.000 0.000) 70.036 2.985 ( 77.455 -0.000 0.000) 77.455 4.221 ( 97.736 -0.000 0.000) 97.736 4.517 ( 13.753 -0.000 0.000) 13.753 5.298 ( -2.484 0.000 0.000) 2.484 5.696 ( 9.640 -0.000 0.000) 9.640 5.827 ( -4.772 0.000 0.000) 4.772 7.305 ( 8.681 -0.000 0.000) 8.681 7.434 ( 9.509 -0.000 0.000) 9.509 7.967 ( 30.005 -0.000 0.000) 30.005 8.289 ( -3.362 0.000 0.000) 3.362 8.605 ( 9.206 -0.000 0.000) 9.206 8.682 ( -12.735 0.000 0.000) 12.735 9.366 ( 3.330 -0.000 0.000) 3.330 9.707 ( 10.576 -0.000 0.000) 10.576 9.807 ( 0.302 -0.000 0.000) 0.302 10.189 ( 2.263 -0.000 0.000) 2.263 10.463 ( 35.257 -0.000 0.000) 35.257 10.648 ( 33.021 -0.000 0.000) 33.021 10.779 ( -3.131 0.000 0.000) 3.131 11.090 ( 1.967 -0.000 0.000) 1.967 11.347 ( 1.204 -0.000 0.000) 1.204 11.756 ( 1.795 -0.000 0.000) 1.795 11.874 ( 22.552 -0.000 0.000) 22.552 12.236 ( -21.067 0.000 0.000) 21.067 12.531 ( -17.398 0.000 0.000) 17.398 12.568 ( -7.015 0.000 0.000) 7.015 13.236 ( -10.204 0.000 0.000) 10.204 13.317 ( -20.349 0.000 0.000) 20.349 13.858 ( -3.209 0.000 0.000) 3.209 13.963 ( -24.720 0.000 0.000) 24.720 14.475 ( -19.806 0.000 0.000) 19.806 14.809 ( 12.963 -0.000 0.000) 12.963 15.329 ( -4.966 0.000 0.000) 4.966 15.405 ( 5.583 -0.000 0.000) 5.583 15.503 ( -0.008 0.000 0.000) 0.008 16.299 ( 7.340 -0.000 0.000) 7.340 16.437 ( -2.236 0.000 0.000) 2.236 16.523 ( 14.954 -0.000 0.000) 14.954 16.540 ( -1.631 0.000 0.000) 1.631 16.676 ( 4.688 -0.000 0.000) 4.688 17.338 ( -4.288 0.000 0.000) 4.288 17.582 ( -7.949 0.000 0.000) 7.949 17.585 ( -18.831 0.000 0.000) 18.831 17.716 ( -14.433 0.000 0.000) 14.433 18.123 ( -5.828 0.000 0.000) 5.828 18.176 ( 28.831 -0.000 0.000) 28.831 18.725 ( 3.665 -0.000 0.000) 3.665 19.031 ( 7.491 -0.000 0.000) 7.491 19.123 ( 6.243 -0.000 0.000) 6.243 19.991 ( 0.899 -0.000 0.000) 0.899 20.109 ( -0.283 0.000 0.000) 0.283 20.475 ( -16.325 0.000 0.000) 16.325 20.588 ( -1.791 0.000 0.000) 1.791 20.915 ( -6.967 0.000 0.000) 6.967 21.093 ( 0.160 -0.000 0.000) 0.160 21.151 ( -11.556 0.000 0.000) 11.556 21.442 ( -1.500 0.000 0.000) 1.500 21.478 ( 0.757 -0.000 0.000) 0.757 21.516 ( 5.258 -0.000 0.000) 5.258 21.857 ( -1.214 0.000 0.000) 1.214 21.904 ( -1.608 0.000 0.000) 1.608 21.973 ( -6.563 0.000 0.000) 6.563 22.303 ( -6.256 0.000 0.000) 6.256 22.487 ( 3.507 -0.000 0.000) 3.507 22.524 ( 5.477 -0.000 0.000) 5.477 22.814 ( -3.855 0.000 0.000) 3.855 23.144 ( -4.617 0.000 0.000) 4.617 23.270 ( 5.491 -0.000 0.000) 5.491 23.430 ( -5.733 0.000 0.000) 5.733 23.750 ( 10.807 -0.000 0.000) 10.807 23.876 ( 2.199 -0.000 0.000) 2.199 24.959 ( 10.146 -0.000 0.000) 10.146 25.311 ( 1.832 -0.000 0.000) 1.832 25.335 ( -2.285 0.000 0.000) 2.285 25.348 ( 3.470 -0.000 0.000) 3.470 25.519 ( 2.660 -0.000 0.000) 2.660 25.759 ( -1.281 0.000 0.000) 1.281 25.902 ( -0.477 0.000 0.000) 0.477 26.214 ( 0.417 -0.000 0.000) 0.417 26.251 ( -3.860 0.000 0.000) 3.860 26.618 ( -9.319 0.000 0.000) 9.319 26.640 ( -0.132 0.000 0.000) 0.132 26.750 ( -4.163 0.000 0.000) 4.163 27.258 ( 0.008 -0.000 0.000) 0.008 27.288 ( -5.143 0.000 0.000) 5.143 27.304 ( 2.485 -0.000 0.000) 2.485 27.418 ( -2.143 0.000 0.000) 2.143 27.449 ( 4.492 -0.000 0.000) 4.492 27.691 ( -0.883 0.000 0.000) 0.883 27.770 ( 0.205 -0.000 0.000) 0.205 27.809 ( -4.446 0.000 0.000) 4.446 28.667 ( 7.217 -0.000 0.000) 7.217 28.799 ( 1.806 -0.000 0.000) 1.806 29.272 ( -4.454 0.000 0.000) 4.454 29.541 ( -8.016 0.000 0.000) 8.016 ======================= Grid point 11 (7/100) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.870 ( 61.526 -12.050 0.000) 62.695 4.363 ( 63.531 -9.836 0.000) 64.288 4.807 ( 19.555 1.064 0.000) 19.584 5.263 ( 0.667 -1.071 0.000) 1.262 5.329 ( 16.099 -2.116 0.000) 16.238 5.705 ( -8.049 0.991 0.000) 8.110 6.357 ( 55.315 -11.109 0.000) 56.419 7.392 ( 7.729 16.096 0.000) 17.855 7.781 ( 34.666 -0.436 0.000) 34.669 8.126 ( -8.792 5.017 0.000) 10.123 8.356 ( -22.354 1.676 0.000) 22.417 8.536 ( 16.783 -20.822 0.000) 26.744 8.981 ( 28.632 -3.173 0.000) 28.807 9.485 ( 6.020 -3.501 0.000) 6.964 9.786 ( -0.386 2.927 0.000) 2.952 9.961 ( 15.283 -2.387 0.000) 15.469 10.241 ( 1.445 -3.096 0.000) 3.417 10.701 ( -4.361 1.987 0.000) 4.792 10.942 ( 11.035 10.651 0.000) 15.337 11.229 ( 20.793 6.782 0.000) 21.871 11.307 ( 16.157 -23.074 0.000) 28.168 11.380 ( 7.902 -5.065 0.000) 9.386 11.759 ( 5.066 8.016 0.000) 9.483 11.840 ( -22.888 -5.103 0.000) 23.450 12.122 ( -8.997 -1.413 0.000) 9.107 12.460 ( -5.080 -1.758 0.000) 5.376 12.467 ( 20.730 -2.747 0.000) 20.911 12.911 ( -21.005 1.599 0.000) 21.066 13.092 ( -5.364 1.850 0.000) 5.674 13.293 ( -31.146 16.742 0.000) 35.360 13.799 ( -11.965 -7.328 0.000) 14.031 14.081 ( -22.126 1.420 0.000) 22.171 15.025 ( 9.415 -0.486 0.000) 9.427 15.241 ( -5.640 -2.326 0.000) 6.100 15.481 ( 0.661 3.559 0.000) 3.620 15.503 ( 5.089 4.065 0.000) 6.513 16.411 ( -3.412 -4.789 0.000) 5.881 16.430 ( 8.109 3.821 0.000) 8.964 16.544 ( 1.430 -1.988 0.000) 2.449 16.738 ( 2.863 2.891 0.000) 4.068 16.825 ( 14.312 -2.831 0.000) 14.589 17.168 ( -13.368 6.313 0.000) 14.783 17.336 ( -5.765 -7.097 0.000) 9.143 17.341 ( -11.376 9.575 0.000) 14.869 17.502 ( -11.818 -5.196 0.000) 12.910 18.005 ( -8.112 -1.626 0.000) 8.273 18.715 ( 28.674 0.312 0.000) 28.676 18.824 ( 6.382 -0.616 0.000) 6.412 19.126 ( 3.363 0.306 0.000) 3.377 19.273 ( 9.608 -1.068 0.000) 9.667 20.013 ( -2.036 -4.165 0.000) 4.635 20.071 ( -4.396 0.964 0.000) 4.500 20.161 ( -15.840 0.512 0.000) 15.849 20.535 ( -2.117 3.235 0.000) 3.866 20.776 ( -7.223 0.473 0.000) 7.238 20.906 ( -11.886 2.412 0.000) 12.129 21.115 ( -0.215 -3.203 0.000) 3.210 21.403 ( -0.484 3.396 0.000) 3.430 21.519 ( 2.602 -0.942 0.000) 2.767 21.593 ( 3.082 0.882 0.000) 3.205 21.813 ( -0.993 3.561 0.000) 3.697 21.834 ( -7.661 0.649 0.000) 7.688 21.897 ( -0.475 -2.276 0.000) 2.326 22.152 ( -10.123 -1.336 0.000) 10.210 22.571 ( 5.039 -0.258 0.000) 5.046 22.611 ( 4.318 0.589 0.000) 4.358 22.761 ( -2.458 -0.612 0.000) 2.533 23.050 ( -4.611 1.899 0.000) 4.986 23.351 ( 3.248 0.121 0.000) 3.250 23.360 ( -2.309 -0.649 0.000) 2.399 23.929 ( 2.590 -1.532 0.000) 3.009 23.936 ( 9.389 0.488 0.000) 9.402 25.135 ( 9.590 1.436 0.000) 9.697 25.285 ( -4.041 -1.438 0.000) 4.289 25.353 ( 2.304 -0.556 0.000) 2.370 25.412 ( 3.013 -0.053 0.000) 3.014 25.575 ( 2.920 -0.538 0.000) 2.969 25.735 ( -1.208 0.353 0.000) 1.259 25.900 ( 0.313 -0.531 0.000) 0.617 26.167 ( -4.865 0.620 0.000) 4.904 26.228 ( 1.760 0.894 0.000) 1.974 26.440 ( -9.953 -0.283 0.000) 9.957 26.628 ( -0.909 0.322 0.000) 0.964 26.675 ( -3.406 0.442 0.000) 3.435 27.200 ( -4.634 -0.803 0.000) 4.703 27.255 ( 0.698 1.767 0.000) 1.900 27.340 ( 1.914 0.902 0.000) 2.116 27.370 ( -2.985 -0.171 0.000) 2.990 27.528 ( 3.815 -0.200 0.000) 3.820 27.666 ( -1.342 0.481 0.000) 1.425 27.736 ( -4.189 -1.780 0.000) 4.551 27.781 ( 0.970 0.299 0.000) 1.015 28.818 ( 9.065 0.061 0.000) 9.065 28.844 ( 3.283 0.105 0.000) 3.284 29.172 ( -6.033 0.466 0.000) 6.051 29.371 ( -10.303 0.101 0.000) 10.304 ======================= Grid point 12 (8/100) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.797 ( 26.243 -3.095 0.000) 26.425 4.973 ( -2.723 -3.236 0.000) 4.229 5.252 ( 25.257 4.470 0.000) 25.650 5.509 ( -11.742 1.437 0.000) 11.830 5.598 ( 23.789 -8.982 0.000) 25.429 5.837 ( 52.625 -10.971 0.000) 53.756 7.026 ( 4.405 -5.619 0.000) 7.140 7.188 ( -3.850 32.635 0.000) 32.861 7.853 ( -24.796 2.021 0.000) 24.879 7.946 ( -4.518 3.690 0.000) 5.833 8.893 ( 69.258 -9.103 0.000) 69.854 8.962 ( 5.753 -22.063 0.000) 22.800 9.565 ( 1.399 1.585 0.000) 2.114 9.604 ( 33.414 -0.921 0.000) 33.427 9.800 ( 3.505 -2.957 0.000) 4.585 10.190 ( -0.013 -1.217 0.000) 1.217 10.358 ( 8.151 -8.434 0.000) 11.730 10.572 ( -5.249 6.295 0.000) 8.196 10.862 ( -8.326 1.455 0.000) 8.453 11.127 ( -14.059 9.205 0.000) 16.804 11.482 ( -16.622 -4.753 0.000) 17.289 11.497 ( -16.465 -11.069 0.000) 19.840 11.682 ( 1.194 -3.538 0.000) 3.734 11.993 ( 3.175 -16.782 0.000) 17.080 12.124 ( 20.977 2.150 0.000) 21.087 12.235 ( -21.674 12.814 0.000) 25.178 12.534 ( -4.172 8.975 0.000) 9.897 12.790 ( 0.631 -2.512 0.000) 2.590 12.977 ( 21.980 -0.494 0.000) 21.985 13.120 ( 7.840 0.097 0.000) 7.841 13.582 ( -13.276 3.831 0.000) 13.818 13.640 ( -23.485 1.991 0.000) 23.570 15.115 ( -1.583 -1.732 0.000) 2.346 15.208 ( -0.956 -4.935 0.000) 5.026 15.396 ( -4.063 4.549 0.000) 6.100 15.547 ( 5.900 9.369 0.000) 11.072 16.410 ( -3.244 -6.917 0.000) 7.640 16.487 ( -0.405 1.881 0.000) 1.924 16.588 ( 1.595 -0.096 0.000) 1.598 16.700 ( -2.490 5.115 0.000) 5.689 16.856 ( -4.144 3.254 0.000) 5.269 17.048 ( -9.547 8.500 0.000) 12.782 17.144 ( 8.391 -5.836 0.000) 10.221 17.381 ( -5.760 -3.083 0.000) 6.533 17.456 ( 11.586 -4.566 0.000) 12.453 17.843 ( -11.116 -0.508 0.000) 11.127 18.945 ( 5.275 -0.738 0.000) 5.326 19.050 ( 4.580 3.952 0.000) 6.049 19.300 ( 18.555 -5.126 0.000) 19.250 19.496 ( 13.176 -1.418 0.000) 13.252 19.821 ( -15.842 -0.965 0.000) 15.871 19.876 ( -16.088 2.095 0.000) 16.224 20.086 ( 0.002 -4.395 0.000) 4.395 20.459 ( -0.363 6.261 0.000) 6.271 20.669 ( -2.906 0.996 0.000) 3.071 20.720 ( -4.771 2.546 0.000) 5.408 21.153 ( 0.118 -4.310 0.000) 4.311 21.360 ( -0.237 3.687 0.000) 3.694 21.572 ( 2.732 0.812 0.000) 2.850 21.575 ( -3.939 2.291 0.000) 4.557 21.725 ( -3.811 -1.926 0.000) 4.270 21.770 ( 0.085 2.752 0.000) 2.753 21.935 ( 2.370 -2.178 0.000) 3.219 21.992 ( -8.759 -2.526 0.000) 9.116 22.662 ( 4.438 -0.068 0.000) 4.439 22.675 ( 2.547 -0.400 0.000) 2.578 22.731 ( -1.412 -1.148 0.000) 1.820 22.934 ( -5.488 2.905 0.000) 6.209 23.347 ( -0.475 -1.101 0.000) 1.199 23.385 ( 0.978 0.542 0.000) 1.118 23.987 ( 1.173 -2.270 0.000) 2.555 24.069 ( 5.862 1.528 0.000) 6.058 25.215 ( -5.713 -2.408 0.000) 6.200 25.273 ( 7.929 3.107 0.000) 8.516 25.403 ( 2.171 -0.930 0.000) 2.362 25.445 ( 0.461 0.067 0.000) 0.466 25.631 ( 2.593 -0.507 0.000) 2.642 25.706 ( -1.224 0.945 0.000) 1.546 25.936 ( 2.674 -1.219 0.000) 2.939 26.070 ( -4.717 0.844 0.000) 4.792 26.266 ( 3.918 1.627 0.000) 4.242 26.275 ( -8.506 -1.171 0.000) 8.586 26.605 ( -1.092 0.087 0.000) 1.096 26.623 ( -1.823 0.368 0.000) 1.860 27.141 ( -3.091 -1.688 0.000) 3.522 27.249 ( 1.467 3.135 0.000) 3.461 27.319 ( -3.195 -1.079 0.000) 3.372 27.358 ( 1.079 0.784 0.000) 1.334 27.586 ( 2.371 0.101 0.000) 2.373 27.635 ( -1.638 0.336 0.000) 1.672 27.701 ( -1.937 -2.757 0.000) 3.369 27.799 ( 1.981 1.456 0.000) 2.459 28.918 ( 4.753 -0.148 0.000) 4.755 28.992 ( 9.952 0.087 0.000) 9.953 29.049 ( -6.649 0.581 0.000) 6.674 29.174 ( -10.924 -0.146 0.000) 10.925 ======================= Grid point 13 (9/100) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.858 ( -9.982 -1.686 0.000) 10.123 5.103 ( 11.437 2.374 0.000) 11.681 5.240 ( -16.195 1.399 0.000) 16.256 5.469 ( 8.509 0.535 0.000) 8.526 6.330 ( 33.495 -6.134 0.000) 34.052 6.522 ( -9.242 33.982 0.000) 35.216 6.574 ( -37.793 21.155 0.000) 43.311 6.943 ( 35.470 -1.174 0.000) 35.489 7.727 ( 4.612 -10.561 0.000) 11.524 7.886 ( 2.807 4.246 0.000) 5.090 9.104 ( -18.157 -10.447 0.000) 20.948 9.371 ( -2.476 8.559 0.000) 8.910 9.721 ( -8.682 1.354 0.000) 8.787 9.911 ( -29.664 1.163 0.000) 29.687 10.113 ( 13.313 12.024 0.000) 17.939 10.280 ( -4.076 5.806 0.000) 7.094 10.367 ( 27.201 -7.385 0.000) 28.185 10.399 ( 7.046 -0.407 0.000) 7.058 10.700 ( -4.839 -5.407 0.000) 7.256 10.872 ( 2.122 3.992 0.000) 4.521 11.236 ( -8.763 -10.986 0.000) 14.053 11.364 ( -15.999 -18.634 0.000) 24.560 11.740 ( 10.690 4.701 0.000) 11.678 11.964 ( -2.180 -10.614 0.000) 10.836 12.092 ( -0.288 -5.409 0.000) 5.417 12.268 ( 8.119 18.013 0.000) 19.758 12.774 ( 10.196 -8.481 0.000) 13.263 12.858 ( 0.857 -2.539 0.000) 2.680 13.030 ( -8.632 3.620 0.000) 9.360 13.061 ( -27.102 -2.393 0.000) 27.208 13.477 ( 11.903 0.878 0.000) 11.935 13.579 ( 27.172 11.113 0.000) 29.357 15.096 ( -3.064 -6.148 0.000) 6.869 15.239 ( -2.062 -5.165 0.000) 5.562 15.267 ( -5.645 3.099 0.000) 6.439 15.527 ( 3.869 11.404 0.000) 12.042 16.416 ( -4.713 -3.919 0.000) 6.130 16.418 ( -3.732 -4.613 0.000) 5.933 16.572 ( -7.178 0.168 0.000) 7.180 16.615 ( 1.473 0.192 0.000) 1.485 16.860 ( -1.668 5.583 0.000) 5.827 16.879 ( 5.862 -0.505 0.000) 5.883 17.343 ( -0.580 1.585 0.000) 1.688 17.358 ( 10.322 -2.421 0.000) 10.602 17.620 ( -11.144 1.711 0.000) 11.275 17.770 ( 16.085 -3.224 0.000) 16.404 19.002 ( -0.241 0.236 0.000) 0.337 19.009 ( -3.383 2.629 0.000) 4.284 19.443 ( -24.800 2.446 0.000) 24.920 19.553 ( -10.190 0.709 0.000) 10.214 19.704 ( 13.597 -5.871 0.000) 14.811 19.798 ( 15.608 -1.882 0.000) 15.721 20.149 ( 1.072 -6.317 0.000) 6.407 20.402 ( 1.871 8.038 0.000) 8.253 20.670 ( 4.237 0.770 0.000) 4.306 20.681 ( 2.839 2.421 0.000) 3.731 21.196 ( -0.780 -4.306 0.000) 4.376 21.316 ( -0.781 3.232 0.000) 3.325 21.471 ( -4.255 -0.528 0.000) 4.288 21.594 ( 0.352 0.956 0.000) 1.019 21.695 ( -3.533 -3.401 0.000) 4.904 21.763 ( 1.787 1.812 0.000) 2.545 21.899 ( -4.328 -2.888 0.000) 5.203 22.035 ( 6.528 -1.605 0.000) 6.722 22.663 ( -2.972 0.037 0.000) 2.972 22.727 ( 2.459 0.998 0.000) 2.654 22.782 ( 3.110 -3.763 0.000) 4.882 22.797 ( -5.529 2.463 0.000) 6.053 23.351 ( -0.743 -1.153 0.000) 1.372 23.383 ( -0.343 0.654 0.000) 0.738 23.999 ( -2.234 -1.315 0.000) 2.592 24.112 ( 1.271 2.894 0.000) 3.161 25.126 ( -7.179 -3.095 0.000) 7.817 25.360 ( 5.343 3.539 0.000) 6.409 25.431 ( -1.530 0.351 0.000) 1.570 25.442 ( 1.371 0.094 0.000) 1.374 25.671 ( -1.481 1.264 0.000) 1.947 25.680 ( 2.429 -0.155 0.000) 2.434 25.985 ( -3.322 0.874 0.000) 3.435 26.014 ( 4.087 -1.507 0.000) 4.356 26.166 ( -5.300 -2.591 0.000) 5.900 26.344 ( 6.591 1.722 0.000) 6.812 26.598 ( 0.141 -0.732 0.000) 0.745 26.600 ( -0.646 -0.130 0.000) 0.659 27.121 ( -1.452 -2.456 0.000) 2.853 27.249 ( 2.023 3.078 0.000) 3.683 27.277 ( -3.110 -2.037 0.000) 3.718 27.368 ( 0.831 0.406 0.000) 0.924 27.598 ( -2.274 0.189 0.000) 2.282 27.617 ( 1.408 -0.004 0.000) 1.408 27.715 ( 0.256 -2.194 0.000) 2.209 27.826 ( 3.345 2.584 0.000) 4.227 28.927 ( -5.995 0.214 0.000) 5.999 28.982 ( -10.231 -0.358 0.000) 10.237 29.018 ( 5.591 -0.674 0.000) 5.632 29.176 ( 10.062 -0.095 0.000) 10.062 ======================= Grid point 14 (10/100) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.655 ( -12.742 2.879 0.000) 13.063 4.869 ( -22.491 4.358 0.000) 22.910 5.169 ( -8.713 13.917 0.000) 16.419 5.500 ( -36.157 18.868 0.000) 40.784 5.619 ( 4.558 -2.215 0.000) 5.067 5.758 ( -22.652 39.759 0.000) 45.759 6.841 ( 16.822 -1.036 0.000) 16.854 7.351 ( -3.368 17.300 0.000) 17.625 8.039 ( 18.317 -4.046 0.000) 18.759 8.086 ( -28.604 8.259 0.000) 29.773 8.135 ( -8.003 3.768 0.000) 8.846 9.157 ( -19.911 7.161 0.000) 21.160 9.326 ( -13.434 13.039 0.000) 18.721 9.653 ( 1.506 1.557 0.000) 2.166 9.889 ( -13.249 8.685 0.000) 15.842 10.253 ( -5.382 2.654 0.000) 6.001 10.358 ( -14.366 4.236 0.000) 14.977 10.486 ( 10.907 1.365 0.000) 10.992 10.815 ( -8.558 -4.041 0.000) 9.464 10.836 ( -7.128 -8.803 0.000) 11.327 11.210 ( -14.564 -11.529 0.000) 18.575 11.723 ( 17.993 -22.417 0.000) 28.745 11.898 ( -26.824 15.654 0.000) 31.058 11.944 ( 4.976 -0.229 0.000) 4.981 12.235 ( 6.841 -12.601 0.000) 14.338 12.343 ( 25.473 -7.427 0.000) 26.534 12.533 ( -14.953 6.085 0.000) 16.144 12.741 ( 11.187 10.043 0.000) 15.034 12.940 ( 12.007 6.089 0.000) 13.463 13.254 ( 13.224 2.266 0.000) 13.416 13.743 ( 13.673 -7.094 0.000) 15.404 13.952 ( 17.381 -0.713 0.000) 17.396 15.106 ( -9.673 2.226 0.000) 9.926 15.152 ( 0.043 -10.011 0.000) 10.011 15.242 ( -2.805 -5.131 0.000) 5.847 15.486 ( 4.110 9.949 0.000) 10.765 16.289 ( -11.701 -2.305 0.000) 11.926 16.417 ( -4.031 -9.550 0.000) 10.365 16.518 ( -2.549 -4.056 0.000) 4.790 16.671 ( 5.591 0.718 0.000) 5.637 16.878 ( 4.502 0.243 0.000) 4.508 17.017 ( 7.377 -1.997 0.000) 7.643 17.223 ( -6.863 7.708 0.000) 10.321 17.533 ( 4.390 0.966 0.000) 4.495 17.569 ( 11.107 -0.484 0.000) 11.118 18.052 ( 11.549 -0.308 0.000) 11.553 18.792 ( -24.113 4.379 0.000) 24.508 18.893 ( -5.798 2.622 0.000) 6.363 19.079 ( -8.974 -1.910 0.000) 9.175 19.363 ( -7.751 2.490 0.000) 8.141 19.952 ( 6.442 -4.876 0.000) 8.079 20.103 ( 13.420 -1.803 0.000) 13.541 20.262 ( 3.518 -7.542 0.000) 8.322 20.371 ( 5.786 9.440 0.000) 11.072 20.757 ( 6.785 0.861 0.000) 6.839 20.803 ( 9.322 -1.198 0.000) 9.398 21.209 ( -1.677 -4.415 0.000) 4.723 21.272 ( -0.510 2.769 0.000) 2.816 21.452 ( -1.304 -3.411 0.000) 3.652 21.553 ( -4.810 -0.956 0.000) 4.904 21.666 ( -3.171 -4.358 0.000) 5.389 21.808 ( 4.548 0.806 0.000) 4.619 21.883 ( -0.855 -2.579 0.000) 2.717 22.197 ( 9.421 -0.597 0.000) 9.440 22.594 ( -4.102 0.572 0.000) 4.141 22.633 ( -6.609 2.266 0.000) 6.987 22.795 ( 3.030 0.637 0.000) 3.097 22.888 ( 3.176 -5.368 0.000) 6.237 23.334 ( -2.354 -0.778 0.000) 2.480 23.373 ( 0.131 -0.014 0.000) 0.131 23.928 ( -5.741 0.634 0.000) 5.776 24.064 ( -2.329 3.896 0.000) 4.539 25.015 ( -8.478 -3.318 0.000) 9.104 25.392 ( 0.331 1.171 0.000) 1.217 25.392 ( -1.809 0.925 0.000) 2.031 25.453 ( 2.499 3.727 0.000) 4.487 25.625 ( -2.037 1.502 0.000) 2.531 25.723 ( 2.240 0.141 0.000) 2.245 25.936 ( -1.179 0.800 0.000) 1.424 26.107 ( 4.131 -1.813 0.000) 4.511 26.131 ( -2.159 -3.472 0.000) 4.089 26.470 ( 8.442 1.032 0.000) 8.505 26.598 ( -0.230 -0.904 0.000) 0.933 26.629 ( 2.033 -1.575 0.000) 2.572 27.134 ( -0.237 -2.934 0.000) 2.943 27.246 ( -2.963 -2.740 0.000) 4.036 27.265 ( 2.256 1.358 0.000) 2.633 27.383 ( 1.385 0.595 0.000) 1.508 27.545 ( -3.251 0.293 0.000) 3.264 27.645 ( 1.590 0.016 0.000) 1.590 27.743 ( 0.716 -1.418 0.000) 1.589 27.868 ( 4.494 3.380 0.000) 5.623 28.811 ( -8.780 -0.242 0.000) 8.783 28.833 ( -4.300 -0.419 0.000) 4.320 29.130 ( 5.398 -1.229 0.000) 5.536 29.357 ( 9.274 -0.515 0.000) 9.288 ======================= Grid point 15 (11/100) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.007 ( -55.795 39.846 0.000) 68.562 4.016 ( -39.379 38.040 0.000) 54.752 4.481 ( -14.173 0.439 0.000) 14.180 5.088 ( -20.759 12.818 0.000) 24.398 5.367 ( 3.613 2.678 0.000) 4.497 5.737 ( 3.543 -3.697 0.000) 5.120 6.025 ( -68.261 56.191 0.000) 88.414 7.035 ( 5.401 -0.590 0.000) 5.433 7.594 ( -2.737 8.559 0.000) 8.985 8.308 ( -3.770 8.545 0.000) 9.340 8.543 ( -11.199 12.877 0.000) 17.065 8.666 ( 24.974 -4.452 0.000) 25.368 9.154 ( 0.609 10.316 0.000) 10.334 9.531 ( -18.648 0.077 0.000) 18.648 9.698 ( 2.189 -1.235 0.000) 2.514 9.950 ( -15.686 17.162 0.000) 23.251 10.137 ( -12.245 -7.463 0.000) 14.340 10.453 ( -15.891 2.533 0.000) 16.092 10.689 ( -16.614 -0.509 0.000) 16.622 10.737 ( -0.110 -4.868 0.000) 4.869 11.164 ( -4.373 -11.667 0.000) 12.460 11.303 ( -16.489 5.749 0.000) 17.462 11.718 ( -11.777 23.296 0.000) 26.104 12.070 ( 7.284 -12.720 0.000) 14.658 12.091 ( -6.588 -0.657 0.000) 6.620 12.812 ( 19.637 -1.672 0.000) 19.708 12.889 ( 16.205 10.873 0.000) 19.515 13.056 ( 26.646 -15.469 0.000) 30.811 13.198 ( 17.714 -0.503 0.000) 17.722 13.375 ( 6.025 3.536 0.000) 6.986 14.078 ( 13.438 -6.099 0.000) 14.758 14.255 ( 11.810 -8.866 0.000) 14.768 14.867 ( -13.058 2.901 0.000) 13.376 15.213 ( -3.099 -5.452 0.000) 6.271 15.328 ( 5.560 -8.692 0.000) 10.318 15.472 ( 3.230 6.850 0.000) 7.573 16.142 ( -6.581 -3.762 0.000) 7.580 16.433 ( -5.139 -10.229 0.000) 11.448 16.482 ( -5.752 -1.616 0.000) 5.975 16.752 ( 5.801 7.497 0.000) 9.479 16.848 ( -4.661 6.769 0.000) 8.218 17.151 ( 2.987 -3.528 0.000) 4.623 17.210 ( 7.872 -9.503 0.000) 12.340 17.682 ( 12.024 1.910 0.000) 12.175 17.772 ( 10.664 -0.312 0.000) 10.669 18.095 ( -15.793 0.373 0.000) 15.797 18.341 ( -7.060 6.039 0.000) 9.290 18.771 ( -4.326 2.059 0.000) 4.791 18.980 ( -6.288 -2.067 0.000) 6.619 19.218 ( -4.882 3.694 0.000) 6.122 20.060 ( 2.215 -2.332 0.000) 3.216 20.197 ( 0.431 5.095 0.000) 5.113 20.404 ( 3.060 -7.335 0.000) 7.947 20.524 ( 15.857 3.654 0.000) 16.273 20.890 ( 7.163 -0.698 0.000) 7.197 20.993 ( 8.119 -2.626 0.000) 8.533 21.252 ( 0.642 -5.934 0.000) 5.968 21.253 ( 1.480 1.833 0.000) 2.356 21.446 ( -3.128 -3.325 0.000) 4.565 21.453 ( -7.291 -2.213 0.000) 7.619 21.691 ( 0.340 -5.395 0.000) 5.405 21.902 ( 5.060 -1.466 0.000) 5.268 21.906 ( 0.488 -2.034 0.000) 2.092 22.359 ( 6.953 0.718 0.000) 6.990 22.499 ( -6.255 0.501 0.000) 6.275 22.514 ( -2.856 1.134 0.000) 3.073 22.851 ( 4.215 1.111 0.000) 4.359 23.002 ( 3.077 -6.011 0.000) 6.753 23.276 ( -4.500 -0.039 0.000) 4.500 23.401 ( 2.116 -1.673 0.000) 2.698 23.790 ( -6.935 2.673 0.000) 7.432 23.968 ( -3.376 3.809 0.000) 5.090 24.885 ( -9.042 -2.872 0.000) 9.487 25.350 ( -1.396 1.503 0.000) 2.051 25.355 ( -2.712 0.508 0.000) 2.760 25.464 ( 3.267 5.088 0.000) 6.047 25.568 ( -2.150 1.821 0.000) 2.818 25.757 ( 1.630 0.206 0.000) 1.643 25.921 ( 0.169 0.665 0.000) 0.686 26.145 ( -0.426 -3.256 0.000) 3.283 26.199 ( 3.514 -2.182 0.000) 4.137 26.606 ( -0.272 -1.437 0.000) 1.463 26.619 ( 8.026 -0.031 0.000) 8.026 26.699 ( 3.403 -2.022 0.000) 3.959 27.168 ( 0.451 -3.037 0.000) 3.071 27.223 ( -2.693 -3.012 0.000) 4.041 27.304 ( 2.053 -1.252 0.000) 2.405 27.407 ( 2.220 1.295 0.000) 2.571 27.473 ( -4.068 0.602 0.000) 4.112 27.670 ( 1.127 0.125 0.000) 1.134 27.768 ( 0.700 -0.837 0.000) 1.092 27.916 ( 4.480 3.790 0.000) 5.868 28.669 ( -6.726 0.118 0.000) 6.727 28.779 ( -2.363 -0.915 0.000) 2.534 29.233 ( 4.184 -1.546 0.000) 4.461 29.519 ( 7.324 -0.986 0.000) 7.390 ======================= Grid point 16 (12/100) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.568 ( -48.090 52.021 0.000) 70.844 2.659 ( -56.298 48.675 0.000) 74.423 3.979 ( -33.047 85.939 0.000) 92.074 4.358 ( -16.632 9.226 0.000) 19.019 4.771 ( -31.507 -7.757 0.000) 32.448 5.389 ( 1.713 3.174 0.000) 3.607 5.821 ( 1.554 -3.816 0.000) 4.121 7.102 ( 2.674 0.336 0.000) 2.695 7.478 ( -0.659 9.595 0.000) 9.617 7.731 ( -23.744 13.281 0.000) 27.206 8.588 ( 11.689 16.000 0.000) 19.815 8.965 ( 4.076 5.926 0.000) 7.192 8.990 ( -4.717 24.759 0.000) 25.204 9.377 ( 1.676 -10.389 0.000) 10.523 9.557 ( -9.325 1.546 0.000) 9.452 9.750 ( -0.099 -3.098 0.000) 3.100 9.981 ( -13.026 -8.371 0.000) 15.484 10.056 ( -17.012 4.466 0.000) 17.588 10.363 ( -8.474 9.338 0.000) 12.610 10.838 ( 3.908 -5.695 0.000) 6.907 11.145 ( -5.996 4.857 0.000) 7.717 11.183 ( -2.916 -6.967 0.000) 7.553 11.411 ( -0.428 6.221 0.000) 6.236 11.979 ( -2.850 5.883 0.000) 6.537 12.316 ( 5.962 -11.115 0.000) 12.613 12.999 ( 9.061 13.022 0.000) 15.864 13.094 ( 15.380 7.579 0.000) 17.146 13.462 ( 7.308 0.672 0.000) 7.339 13.480 ( 7.853 -3.961 0.000) 8.795 13.557 ( 9.649 -13.697 0.000) 16.754 14.316 ( 7.969 -1.874 0.000) 8.187 14.583 ( 10.165 -14.696 0.000) 17.869 14.602 ( -11.793 2.170 0.000) 11.991 15.213 ( -1.885 -4.457 0.000) 4.839 15.460 ( 1.326 3.543 0.000) 3.783 15.546 ( 9.797 -4.356 0.000) 10.722 16.127 ( 0.630 -2.597 0.000) 2.672 16.331 ( -9.141 1.648 0.000) 9.288 16.442 ( -4.623 -9.225 0.000) 10.319 16.722 ( 2.824 12.342 0.000) 12.661 16.724 ( -0.580 6.857 0.000) 6.881 17.271 ( 2.287 -7.709 0.000) 8.041 17.464 ( 5.270 -12.536 0.000) 13.599 17.666 ( -21.043 -2.058 0.000) 21.144 17.880 ( 9.513 0.681 0.000) 9.537 17.959 ( 8.400 -0.944 0.000) 8.453 18.305 ( 2.697 5.942 0.000) 6.525 18.706 ( -1.117 0.979 0.000) 1.485 18.875 ( -6.206 -0.412 0.000) 6.220 19.108 ( -2.762 4.149 0.000) 4.984 20.098 ( 0.637 -0.535 0.000) 0.832 20.123 ( -0.532 7.539 0.000) 7.557 20.510 ( 1.104 -5.997 0.000) 6.098 20.745 ( 9.834 1.809 0.000) 9.999 21.007 ( 4.261 -0.450 0.000) 4.284 21.112 ( 3.178 0.316 0.000) 3.194 21.291 ( 1.797 -0.974 0.000) 2.044 21.341 ( 1.631 -6.810 0.000) 7.003 21.365 ( -4.076 -3.833 0.000) 5.595 21.433 ( -1.794 -4.053 0.000) 4.433 21.765 ( 1.096 -5.593 0.000) 5.699 21.934 ( 0.579 -1.256 0.000) 1.383 22.009 ( 3.795 -2.748 0.000) 4.685 22.380 ( -1.927 1.169 0.000) 2.254 22.396 ( -4.762 -0.211 0.000) 4.767 22.509 ( 2.651 2.259 0.000) 3.482 22.930 ( 5.815 1.277 0.000) 5.953 23.129 ( 3.735 -6.716 0.000) 7.684 23.171 ( -6.362 0.806 0.000) 6.413 23.459 ( -0.265 -2.960 0.000) 2.971 23.656 ( -2.359 4.059 0.000) 4.695 23.880 ( -2.254 2.740 0.000) 3.548 24.756 ( -7.025 -1.894 0.000) 7.275 25.303 ( -1.986 0.673 0.000) 2.097 25.313 ( -0.797 1.666 0.000) 1.846 25.464 ( 2.262 4.734 0.000) 5.246 25.515 ( -1.397 1.968 0.000) 2.414 25.779 ( 0.921 0.037 0.000) 0.922 25.920 ( 0.320 0.633 0.000) 0.709 26.173 ( 0.094 -2.545 0.000) 2.547 26.273 ( 2.049 -2.086 0.000) 2.924 26.616 ( -0.272 -1.401 0.000) 1.427 26.746 ( 4.566 -1.607 0.000) 4.841 26.786 ( 3.751 -1.445 0.000) 4.019 27.205 ( -0.662 -2.714 0.000) 2.794 27.214 ( -0.540 -2.834 0.000) 2.885 27.360 ( 1.306 -3.404 0.000) 3.646 27.391 ( -3.683 0.938 0.000) 3.800 27.432 ( 2.114 2.050 0.000) 2.945 27.679 ( -0.090 0.049 0.000) 0.103 27.785 ( 0.570 -0.234 0.000) 0.616 27.947 ( 2.825 3.735 0.000) 4.683 28.568 ( -3.823 0.427 0.000) 3.847 28.761 ( -0.866 -1.068 0.000) 1.375 29.309 ( 2.264 -1.506 0.000) 2.719 29.636 ( 4.124 -1.195 0.000) 4.293 ======================= Grid point 17 (13/100) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 0.000 63.879 0.000) 63.879 1.404 ( 0.000 67.681 0.000) 67.681 2.470 ( 0.000 120.295 0.000) 120.295 4.212 ( -0.000 -2.229 0.000) 2.229 4.389 ( 0.000 3.807 0.000) 3.807 5.370 ( 0.000 3.095 0.000) 3.095 5.871 ( -0.000 -3.151 0.000) 3.151 7.131 ( 0.000 0.664 0.000) 0.664 7.372 ( 0.000 8.814 0.000) 8.814 7.378 ( 0.000 7.930 0.000) 7.930 8.545 ( 0.000 27.703 0.000) 27.703 8.622 ( 0.000 11.446 0.000) 11.446 8.907 ( 0.000 4.977 0.000) 4.977 9.520 ( -0.000 -0.595 0.000) 0.595 9.537 ( -0.000 -3.606 0.000) 3.606 9.719 ( -0.000 -6.019 0.000) 6.019 9.909 ( -0.000 -5.915 0.000) 5.915 9.962 ( -0.000 -2.784 0.000) 2.784 10.216 ( 0.000 6.927 0.000) 6.927 10.947 ( 0.000 10.484 0.000) 10.484 10.976 ( -0.000 -7.278 0.000) 7.278 11.236 ( -0.000 -6.944 0.000) 6.944 11.453 ( -0.000 -5.293 0.000) 5.293 11.882 ( 0.000 8.512 0.000) 8.512 12.484 ( -0.000 -10.081 0.000) 10.081 12.949 ( 0.000 13.251 0.000) 13.251 13.231 ( 0.000 3.303 0.000) 3.303 13.531 ( 0.000 0.210 0.000) 0.210 13.583 ( -0.000 -4.789 0.000) 4.789 13.704 ( -0.000 -4.177 0.000) 4.177 14.401 ( 0.000 2.210 0.000) 2.210 14.470 ( -0.000 -2.588 0.000) 2.588 14.849 ( -0.000 -12.977 0.000) 12.977 15.240 ( -0.000 -4.283 0.000) 4.283 15.448 ( 0.000 1.786 0.000) 1.786 15.702 ( -0.000 -1.915 0.000) 1.915 16.185 ( 0.000 1.227 0.000) 1.227 16.191 ( -0.000 -1.432 0.000) 1.432 16.464 ( -0.000 -6.103 0.000) 6.103 16.640 ( 0.000 9.194 0.000) 9.194 16.661 ( 0.000 5.820 0.000) 5.820 17.367 ( -0.000 -6.360 0.000) 6.360 17.425 ( -0.000 -0.058 0.000) 0.058 17.699 ( -0.000 -13.990 0.000) 13.990 17.972 ( -0.000 -0.170 0.000) 0.170 18.063 ( -0.000 -1.509 0.000) 1.509 18.277 ( 0.000 4.393 0.000) 4.393 18.694 ( 0.000 0.350 0.000) 0.350 18.799 ( 0.000 1.242 0.000) 1.242 19.041 ( 0.000 3.522 0.000) 3.522 20.043 ( 0.000 6.842 0.000) 6.842 20.104 ( 0.000 0.022 0.000) 0.022 20.571 ( -0.000 -4.323 0.000) 4.323 20.820 ( 0.000 1.360 0.000) 1.360 21.044 ( 0.000 0.113 0.000) 0.113 21.120 ( 0.000 2.272 0.000) 2.272 21.314 ( -0.000 -3.392 0.000) 3.392 21.386 ( -0.000 -2.591 0.000) 2.591 21.432 ( -0.000 -6.272 0.000) 6.272 21.457 ( -0.000 -3.411 0.000) 3.411 21.831 ( -0.000 -5.104 0.000) 5.104 21.949 ( -0.000 -0.417 0.000) 0.417 22.074 ( -0.000 -2.464 0.000) 2.464 22.342 ( 0.000 0.550 0.000) 0.550 22.347 ( 0.000 0.647 0.000) 0.647 22.508 ( 0.000 2.627 0.000) 2.627 23.035 ( 0.000 2.268 0.000) 2.268 23.038 ( -0.000 -0.111 0.000) 0.111 23.250 ( -0.000 -6.637 0.000) 6.637 23.435 ( 0.000 0.150 0.000) 0.150 23.632 ( 0.000 1.656 0.000) 1.656 23.834 ( 0.000 1.881 0.000) 1.881 24.699 ( -0.000 -1.085 0.000) 1.085 25.277 ( 0.000 0.545 0.000) 0.545 25.290 ( 0.000 1.313 0.000) 1.313 25.451 ( 0.000 3.087 0.000) 3.087 25.483 ( 0.000 1.649 0.000) 1.649 25.789 ( -0.000 -0.118 0.000) 0.118 25.917 ( 0.000 0.542 0.000) 0.542 26.196 ( -0.000 -1.732 0.000) 1.732 26.311 ( -0.000 -1.523 0.000) 1.523 26.625 ( -0.000 -1.001 0.000) 1.001 26.809 ( -0.000 -1.977 0.000) 1.977 26.838 ( -0.000 -0.805 0.000) 0.805 27.215 ( -0.000 -2.278 0.000) 2.278 27.245 ( -0.000 -2.268 0.000) 2.268 27.340 ( 0.000 1.134 0.000) 1.134 27.412 ( -0.000 -3.779 0.000) 3.779 27.431 ( 0.000 2.133 0.000) 2.133 27.670 ( 0.000 0.555 0.000) 0.555 27.793 ( -0.000 -0.092 0.000) 0.092 27.938 ( 0.000 3.074 0.000) 3.074 28.527 ( 0.000 0.399 0.000) 0.399 28.764 ( -0.000 -0.889 0.000) 0.889 29.344 ( -0.000 -1.151 0.000) 1.151 29.686 ( -0.000 -0.976 0.000) 0.976 ======================= Grid point 20 (14/100) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.767 ( 32.482 -0.000 0.000) 32.482 4.936 ( 0.421 -0.000 0.000) 0.421 5.366 ( 46.933 -0.000 0.000) 46.933 5.452 ( 3.188 -0.000 0.000) 3.188 5.526 ( -12.091 0.000 0.000) 12.091 5.724 ( 53.056 -0.000 0.000) 53.056 6.941 ( 17.007 -0.000 0.000) 17.007 7.662 ( 7.630 -0.000 0.000) 7.630 7.882 ( -30.587 0.000 0.000) 30.587 8.003 ( -6.946 0.000 0.000) 6.946 8.578 ( 5.044 -0.000 0.000) 5.044 8.797 ( 68.646 -0.000 0.000) 68.646 9.601 ( 6.782 -0.000 0.000) 6.782 9.605 ( 34.145 -0.000 0.000) 34.145 9.782 ( -0.847 0.000 0.000) 0.847 10.188 ( -5.460 0.000 0.000) 5.460 10.253 ( 17.725 -0.000 0.000) 17.725 10.607 ( -6.498 0.000 0.000) 6.498 10.989 ( -12.892 0.000 0.000) 12.892 11.210 ( -16.827 0.000 0.000) 16.827 11.272 ( -7.002 0.000 0.000) 7.002 11.399 ( -16.879 0.000 0.000) 16.879 11.622 ( 5.030 -0.000 0.000) 5.030 11.844 ( 0.722 -0.000 0.000) 0.722 12.167 ( 18.510 -0.000 0.000) 18.510 12.387 ( -3.386 0.000 0.000) 3.386 12.636 ( -6.718 0.000 0.000) 6.718 12.795 ( -26.395 0.000 0.000) 26.395 12.966 ( 26.081 -0.000 0.000) 26.081 13.092 ( -1.565 0.000 0.000) 1.565 13.619 ( 0.851 -0.000 0.000) 0.851 13.659 ( -23.549 0.000 0.000) 23.549 15.119 ( -6.027 0.000 0.000) 6.027 15.137 ( 2.906 -0.000 0.000) 2.906 15.442 ( -5.374 0.000 0.000) 5.374 15.664 ( 7.779 -0.000 0.000) 7.779 16.322 ( -3.458 0.000 0.000) 3.458 16.522 ( -2.195 0.000 0.000) 2.195 16.573 ( 2.556 -0.000 0.000) 2.556 16.748 ( -4.499 0.000 0.000) 4.499 16.910 ( -11.017 0.000 0.000) 11.017 17.066 ( 12.956 -0.000 0.000) 12.956 17.205 ( -11.422 0.000 0.000) 11.422 17.291 ( -3.900 0.000 0.000) 3.900 17.404 ( 13.536 -0.000 0.000) 13.536 17.833 ( -9.895 0.000 0.000) 9.895 18.938 ( 5.653 -0.000 0.000) 5.653 19.134 ( -1.753 0.000 0.000) 1.753 19.204 ( 23.509 -0.000 0.000) 23.509 19.480 ( 13.537 -0.000 0.000) 13.537 19.806 ( -14.244 0.000 0.000) 14.244 19.897 ( -16.397 0.000 0.000) 16.397 20.045 ( -0.632 0.000 0.000) 0.632 20.527 ( -0.507 0.000 0.000) 0.507 20.682 ( -2.640 0.000 0.000) 2.640 20.753 ( -4.508 0.000 0.000) 4.508 21.101 ( 0.058 -0.000 0.000) 0.058 21.406 ( -0.947 0.000 0.000) 0.947 21.566 ( 2.314 -0.000 0.000) 2.314 21.619 ( -1.297 0.000 0.000) 1.297 21.689 ( -7.792 0.000 0.000) 7.792 21.841 ( 1.784 -0.000 0.000) 1.784 21.875 ( 0.475 -0.000 0.000) 0.475 21.961 ( -9.044 0.000 0.000) 9.044 22.661 ( 4.682 -0.000 0.000) 4.682 22.674 ( 2.508 -0.000 0.000) 2.508 22.717 ( -2.263 0.000 0.000) 2.263 22.966 ( -5.735 0.000 0.000) 5.735 23.334 ( -0.476 0.000 0.000) 0.476 23.392 ( 1.107 -0.000 0.000) 1.107 23.963 ( 1.772 -0.000 0.000) 1.772 24.086 ( 6.251 -0.000 0.000) 6.251 25.190 ( -5.584 0.000 0.000) 5.584 25.309 ( 8.555 -0.000 0.000) 8.555 25.390 ( 1.887 -0.000 0.000) 1.887 25.446 ( 0.519 -0.000 0.000) 0.519 25.626 ( 2.907 -0.000 0.000) 2.907 25.718 ( -1.040 0.000 0.000) 1.040 25.921 ( 2.577 -0.000 0.000) 2.577 26.078 ( -4.919 0.000 0.000) 4.919 26.263 ( -8.946 0.000 0.000) 8.946 26.283 ( 3.829 -0.000 0.000) 3.829 26.606 ( -1.466 0.000 0.000) 1.466 26.627 ( -2.084 0.000 0.000) 2.084 27.124 ( -3.154 0.000 0.000) 3.154 27.289 ( 1.997 -0.000 0.000) 1.997 27.307 ( -3.507 0.000 0.000) 3.507 27.359 ( -0.338 0.000 0.000) 0.338 27.592 ( 3.151 -0.000 0.000) 3.151 27.639 ( -1.877 0.000 0.000) 1.877 27.668 ( -1.934 0.000 0.000) 1.934 27.814 ( 2.336 -0.000 0.000) 2.336 28.917 ( 4.547 -0.000 0.000) 4.547 28.993 ( 9.879 -0.000 0.000) 9.879 29.055 ( -6.845 0.000 0.000) 6.845 29.172 ( -11.097 0.000 0.000) 11.097 ======================= Grid point 21 (15/100) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.825 ( -9.750 -1.103 0.000) 9.812 5.136 ( 13.730 0.824 0.000) 13.754 5.263 ( -16.281 0.675 0.000) 16.295 5.491 ( 3.232 1.043 0.000) 3.396 6.293 ( 40.696 0.591 0.000) 40.700 6.711 ( 48.246 -2.329 0.000) 48.302 6.987 ( -12.944 18.685 0.000) 22.731 7.433 ( -8.361 -16.795 0.000) 18.761 7.474 ( -5.279 34.604 0.000) 35.004 7.982 ( 4.361 4.808 0.000) 6.491 8.675 ( -16.119 -27.122 0.000) 31.550 9.589 ( 0.798 10.834 0.000) 10.863 9.720 ( 2.921 -2.029 0.000) 3.557 9.840 ( -13.822 -2.792 0.000) 14.101 10.110 ( 47.037 -8.452 0.000) 47.790 10.281 ( 20.256 3.970 0.000) 20.641 10.487 ( -7.693 -0.978 0.000) 7.755 10.499 ( 2.180 11.616 0.000) 11.819 10.603 ( -20.744 0.133 0.000) 20.745 10.874 ( -5.725 -13.685 0.000) 14.835 11.102 ( -12.284 -3.469 0.000) 12.765 11.196 ( -8.045 11.608 0.000) 14.123 11.598 ( -6.386 -13.338 0.000) 14.789 11.923 ( 6.184 -7.001 0.000) 9.341 12.115 ( -12.217 18.086 0.000) 21.826 12.529 ( 13.707 6.667 0.000) 15.243 12.653 ( -3.567 -18.279 0.000) 18.624 12.694 ( 13.503 -0.576 0.000) 13.515 12.912 ( -15.136 -3.709 0.000) 15.584 13.066 ( -14.784 0.293 0.000) 14.787 13.504 ( 10.927 1.100 0.000) 10.982 13.848 ( 22.122 8.979 0.000) 23.875 15.020 ( -5.128 -1.611 0.000) 5.375 15.161 ( -0.905 -2.189 0.000) 2.369 15.307 ( -8.061 0.956 0.000) 8.118 15.752 ( 6.020 8.567 0.000) 10.470 16.299 ( -2.116 -5.574 0.000) 5.962 16.388 ( -9.457 0.486 0.000) 9.469 16.568 ( -13.915 -0.260 0.000) 13.918 16.569 ( -2.847 -3.003 0.000) 4.138 16.896 ( 7.823 1.137 0.000) 7.905 17.011 ( -4.309 6.955 0.000) 8.182 17.316 ( 13.013 -1.314 0.000) 13.079 17.317 ( 3.308 -3.215 0.000) 4.613 17.638 ( -11.190 0.356 0.000) 11.196 17.719 ( 18.115 -1.440 0.000) 18.172 19.007 ( 1.384 0.109 0.000) 1.388 19.065 ( -3.976 2.165 0.000) 4.528 19.481 ( -26.870 1.112 0.000) 26.893 19.560 ( 0.477 0.064 0.000) 0.481 19.597 ( 4.140 -3.594 0.000) 5.483 19.762 ( 15.999 -1.199 0.000) 16.044 20.062 ( 1.237 -2.132 0.000) 2.464 20.519 ( 1.417 3.098 0.000) 3.406 20.691 ( 4.000 0.845 0.000) 4.089 20.739 ( 3.274 2.361 0.000) 4.037 21.116 ( -0.116 -2.818 0.000) 2.821 21.374 ( -1.369 2.059 0.000) 2.473 21.506 ( -6.164 3.699 0.000) 7.189 21.574 ( -2.675 -1.801 0.000) 3.224 21.606 ( -5.601 -4.999 0.000) 7.507 21.848 ( 3.356 5.725 0.000) 6.636 21.850 ( -3.887 -1.472 0.000) 4.156 21.970 ( 6.143 -4.667 0.000) 7.715 22.667 ( -2.814 0.323 0.000) 2.833 22.720 ( 1.555 -1.959 0.000) 2.501 22.738 ( 3.787 0.194 0.000) 3.792 22.841 ( -7.103 1.352 0.000) 7.231 23.330 ( -0.542 -0.636 0.000) 0.835 23.394 ( -0.452 0.372 0.000) 0.585 23.980 ( -0.525 -0.489 0.000) 0.718 24.155 ( 1.802 1.149 0.000) 2.138 25.081 ( -6.981 -1.162 0.000) 7.077 25.408 ( 1.368 0.947 0.000) 1.663 25.435 ( -1.339 0.082 0.000) 1.342 25.451 ( 6.222 0.638 0.000) 6.255 25.680 ( 2.916 0.026 0.000) 2.916 25.692 ( -1.495 0.640 0.000) 1.626 25.990 ( 4.194 -0.696 0.000) 4.252 25.997 ( -3.531 0.283 0.000) 3.542 26.126 ( -6.326 -1.133 0.000) 6.427 26.370 ( 6.178 0.744 0.000) 6.223 26.586 ( -0.651 -0.357 0.000) 0.743 26.598 ( -1.165 -0.050 0.000) 1.166 27.087 ( -1.442 -0.904 0.000) 1.702 27.247 ( -3.397 -0.771 0.000) 3.483 27.309 ( 0.549 2.737 0.000) 2.791 27.356 ( 0.584 -1.609 0.000) 1.712 27.599 ( -2.407 0.027 0.000) 2.407 27.631 ( 1.911 1.308 0.000) 2.316 27.672 ( 0.960 -1.942 0.000) 2.166 27.863 ( 3.584 0.974 0.000) 3.713 28.930 ( -6.500 0.100 0.000) 6.501 28.976 ( -10.250 -0.185 0.000) 10.251 29.008 ( 5.241 -0.260 0.000) 5.248 29.174 ( 9.780 -0.071 0.000) 9.781 ======================= Grid point 22 (16/100) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.637 ( -12.266 -2.014 0.000) 12.431 4.919 ( -20.233 1.329 0.000) 20.277 5.310 ( 7.746 3.539 0.000) 8.517 5.562 ( 3.690 -2.302 0.000) 4.349 5.977 ( -44.463 20.857 0.000) 49.112 6.729 ( -20.045 50.140 0.000) 53.999 6.964 ( 19.548 12.163 0.000) 23.023 7.533 ( 24.372 3.034 0.000) 24.561 7.851 ( 26.397 -14.312 0.000) 30.027 8.015 ( 1.753 -4.230 0.000) 4.579 8.318 ( -33.289 -3.389 0.000) 33.461 9.374 ( -12.852 14.226 0.000) 19.171 9.561 ( -11.596 9.752 0.000) 15.152 9.654 ( -6.353 -1.952 0.000) 6.646 10.106 ( -13.765 13.743 0.000) 19.452 10.130 ( -21.543 -10.450 0.000) 23.944 10.422 ( -3.157 -3.286 0.000) 4.557 10.645 ( 13.648 6.452 0.000) 15.096 10.791 ( -0.895 4.555 0.000) 4.643 10.802 ( -15.498 10.055 0.000) 18.474 11.060 ( -1.521 -1.838 0.000) 2.385 11.188 ( 16.509 -22.394 0.000) 27.821 11.761 ( 4.434 -18.226 0.000) 18.758 11.950 ( 4.504 -12.947 0.000) 13.708 12.209 ( -4.557 7.286 0.000) 8.594 12.271 ( 2.053 1.923 0.000) 2.813 12.567 ( -16.724 -1.951 0.000) 16.838 12.901 ( 14.668 5.278 0.000) 15.588 12.945 ( 11.370 -5.464 0.000) 12.615 13.244 ( 21.004 -3.035 0.000) 21.222 13.652 ( 5.452 -1.293 0.000) 5.603 14.086 ( 14.753 12.062 0.000) 19.056 14.986 ( -2.090 -5.958 0.000) 6.314 15.137 ( -9.805 0.866 0.000) 9.844 15.166 ( -0.900 -2.407 0.000) 2.569 15.723 ( 3.549 12.677 0.000) 13.164 16.248 ( -8.598 -6.606 0.000) 10.843 16.253 ( -12.160 -1.326 0.000) 12.232 16.390 ( -4.314 -8.263 0.000) 9.322 16.607 ( 3.312 -4.742 0.000) 5.784 16.922 ( 0.233 3.491 0.000) 3.499 17.049 ( 9.605 3.108 0.000) 10.095 17.364 ( -5.426 5.599 0.000) 7.797 17.510 ( 4.517 -2.709 0.000) 5.267 17.553 ( 11.689 -0.804 0.000) 11.717 18.045 ( 15.252 -0.219 0.000) 15.254 18.882 ( -24.110 4.099 0.000) 24.456 18.949 ( -5.855 2.598 0.000) 6.406 19.034 ( -9.837 -2.487 0.000) 10.147 19.407 ( -6.548 1.757 0.000) 6.780 19.845 ( 8.554 -5.058 0.000) 9.937 20.067 ( 14.574 -1.494 0.000) 14.651 20.137 ( 3.404 -4.391 0.000) 5.556 20.519 ( 3.549 4.816 0.000) 5.983 20.796 ( 7.564 0.280 0.000) 7.569 20.803 ( 6.545 3.225 0.000) 7.296 21.135 ( -1.310 -2.867 0.000) 3.152 21.321 ( -1.716 2.343 0.000) 2.904 21.399 ( -3.656 -1.248 0.000) 3.863 21.511 ( -6.618 -3.081 0.000) 7.300 21.566 ( -3.882 -5.116 0.000) 6.422 21.832 ( -0.599 -2.105 0.000) 2.189 21.861 ( 3.654 4.121 0.000) 5.507 22.162 ( 9.948 -2.750 0.000) 10.321 22.604 ( -3.575 0.440 0.000) 3.602 22.680 ( -7.898 2.051 0.000) 8.160 22.783 ( 1.701 -4.475 0.000) 4.787 22.804 ( 3.477 0.290 0.000) 3.489 23.317 ( -1.894 -0.752 0.000) 2.038 23.377 ( -0.605 0.360 0.000) 0.704 23.944 ( -3.428 0.704 0.000) 3.499 24.131 ( -2.152 2.446 0.000) 3.258 24.959 ( -8.060 -2.004 0.000) 8.305 25.403 ( -1.112 0.225 0.000) 1.135 25.406 ( -1.310 0.465 0.000) 1.390 25.535 ( 5.175 3.584 0.000) 6.295 25.651 ( -2.052 0.963 0.000) 2.267 25.730 ( 2.765 0.446 0.000) 2.800 25.948 ( -1.444 0.420 0.000) 1.503 26.062 ( -2.990 -3.030 0.000) 4.257 26.076 ( 3.979 -1.131 0.000) 4.137 26.491 ( 7.695 0.957 0.000) 7.754 26.582 ( -0.924 -0.584 0.000) 1.093 26.598 ( 1.207 -1.355 0.000) 1.814 27.087 ( -0.083 -1.675 0.000) 1.677 27.200 ( -3.132 -1.648 0.000) 3.539 27.278 ( -1.563 0.057 0.000) 1.564 27.401 ( 3.376 0.986 0.000) 3.517 27.548 ( -3.188 0.055 0.000) 3.188 27.654 ( 1.926 0.895 0.000) 2.124 27.712 ( 1.111 -1.621 0.000) 1.965 27.924 ( 4.582 1.964 0.000) 4.985 28.807 ( -8.404 -0.144 0.000) 8.406 28.824 ( -4.975 -0.334 0.000) 4.986 29.109 ( 5.040 -0.778 0.000) 5.099 29.347 ( 8.792 -0.404 0.000) 8.802 ======================= Grid point 23 (17/100) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.404 ( -19.330 2.332 0.000) 19.470 4.479 ( -22.288 2.657 0.000) 22.446 4.798 ( -45.095 35.695 0.000) 57.513 5.424 ( 3.558 2.882 0.000) 4.579 5.658 ( 2.761 -3.981 0.000) 4.845 5.664 ( -41.096 38.155 0.000) 56.077 7.109 ( 8.199 6.371 0.000) 10.383 7.173 ( -26.757 46.677 0.000) 53.802 7.821 ( 0.549 14.214 0.000) 14.225 8.437 ( 23.521 1.020 0.000) 23.543 8.548 ( 29.194 -5.899 0.000) 29.784 8.783 ( -26.167 13.861 0.000) 29.611 9.349 ( -1.202 10.347 0.000) 10.417 9.523 ( -20.950 -0.908 0.000) 20.970 9.669 ( -12.687 2.102 0.000) 12.860 9.898 ( -19.482 -13.842 0.000) 23.899 10.347 ( -3.193 13.221 0.000) 13.601 10.562 ( -8.329 -4.930 0.000) 9.678 10.578 ( -14.517 3.128 0.000) 14.850 10.634 ( -7.682 0.993 0.000) 7.746 11.091 ( 12.170 4.638 0.000) 13.024 11.459 ( -17.514 -0.751 0.000) 17.530 11.766 ( -1.044 -7.858 0.000) 7.927 11.970 ( 3.481 -6.148 0.000) 7.065 12.212 ( -11.468 19.093 0.000) 22.272 12.452 ( 16.664 -31.251 0.000) 35.417 12.806 ( 28.361 -6.128 0.000) 29.016 13.117 ( 14.720 7.976 0.000) 16.742 13.227 ( 13.522 -1.882 0.000) 13.652 13.468 ( 4.870 4.682 0.000) 6.756 13.904 ( 14.929 -10.107 0.000) 18.028 14.184 ( 6.993 4.603 0.000) 8.372 14.920 ( -12.428 1.981 0.000) 12.585 15.070 ( 1.520 -9.113 0.000) 9.239 15.195 ( 2.747 -3.219 0.000) 4.231 15.647 ( 0.945 10.374 0.000) 10.417 16.076 ( -6.537 -2.807 0.000) 7.114 16.200 ( -7.474 -12.080 0.000) 14.206 16.407 ( -4.022 -6.096 0.000) 7.303 16.771 ( 8.109 -4.723 0.000) 9.384 16.917 ( -0.066 0.783 0.000) 0.785 17.159 ( 6.392 3.786 0.000) 7.429 17.167 ( -6.410 4.336 0.000) 7.739 17.705 ( 12.144 0.374 0.000) 12.150 17.759 ( 9.812 -0.847 0.000) 9.848 18.144 ( -13.300 4.578 0.000) 14.066 18.430 ( -6.870 1.954 0.000) 7.143 18.817 ( -5.190 2.341 0.000) 5.693 18.938 ( -5.918 -1.787 0.000) 6.182 19.289 ( -3.949 3.073 0.000) 5.004 20.004 ( 4.644 -3.008 0.000) 5.533 20.253 ( 4.234 0.970 0.000) 4.344 20.262 ( 3.722 -6.136 0.000) 7.177 20.604 ( 10.889 3.037 0.000) 11.305 20.900 ( 6.759 2.128 0.000) 7.086 20.945 ( 7.287 -2.089 0.000) 7.580 21.149 ( -0.030 -3.800 0.000) 3.800 21.274 ( -1.390 0.567 0.000) 1.502 21.364 ( -4.346 -4.409 0.000) 6.191 21.405 ( -7.861 -2.657 0.000) 8.298 21.584 ( 0.304 -4.814 0.000) 4.824 21.857 ( 0.602 -2.396 0.000) 2.470 21.900 ( 3.676 1.357 0.000) 3.919 22.353 ( 7.396 -1.212 0.000) 7.495 22.520 ( -7.402 1.248 0.000) 7.507 22.538 ( -1.897 1.208 0.000) 2.249 22.869 ( 1.535 -6.563 0.000) 6.740 22.870 ( 4.345 0.689 0.000) 4.399 23.271 ( -3.802 -0.360 0.000) 3.819 23.378 ( 0.818 -0.545 0.000) 0.983 23.848 ( -4.699 2.690 0.000) 5.414 24.043 ( -3.729 3.307 0.000) 4.984 24.830 ( -8.279 -2.303 0.000) 8.593 25.367 ( -2.142 0.610 0.000) 2.227 25.379 ( -0.806 1.237 0.000) 1.477 25.571 ( 3.699 5.119 0.000) 6.315 25.601 ( -2.030 1.277 0.000) 2.399 25.767 ( 1.916 0.791 0.000) 2.073 25.933 ( 0.028 0.422 0.000) 0.423 26.069 ( -0.613 -4.058 0.000) 4.104 26.157 ( 3.168 -1.783 0.000) 3.636 26.576 ( -0.820 -1.389 0.000) 1.613 26.616 ( 5.556 -0.351 0.000) 5.568 26.661 ( 4.291 -1.517 0.000) 4.551 27.113 ( 0.766 -2.181 0.000) 2.312 27.167 ( -2.695 -2.378 0.000) 3.594 27.262 ( -1.321 -2.311 0.000) 2.662 27.451 ( 3.988 2.514 0.000) 4.714 27.481 ( -3.893 0.254 0.000) 3.901 27.678 ( 1.159 0.504 0.000) 1.264 27.745 ( 0.891 -1.358 0.000) 1.624 27.985 ( 4.522 2.816 0.000) 5.327 28.673 ( -6.114 0.290 0.000) 6.121 28.759 ( -2.909 -0.978 0.000) 3.069 29.203 ( 3.935 -1.331 0.000) 4.154 29.498 ( 6.818 -0.931 0.000) 6.882 ======================= Grid point 24 (18/100) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.526 ( -45.768 34.013 0.000) 57.022 3.619 ( -33.715 49.094 0.000) 59.556 4.254 ( -10.288 -2.939 0.000) 10.700 4.791 ( -22.386 12.537 0.000) 25.657 5.453 ( 2.240 3.024 0.000) 3.763 5.736 ( 1.206 -4.359 0.000) 4.523 6.062 ( -13.974 94.366 0.000) 95.396 7.170 ( 5.463 5.425 0.000) 7.699 7.715 ( 1.946 13.407 0.000) 13.548 8.054 ( -22.101 18.360 0.000) 28.733 8.856 ( 14.910 8.167 0.000) 17.000 9.035 ( -10.454 -0.127 0.000) 10.455 9.144 ( 14.474 -10.207 0.000) 17.710 9.308 ( 6.570 6.309 0.000) 9.109 9.631 ( -2.804 -8.794 0.000) 9.230 9.672 ( -17.622 -7.214 0.000) 19.042 9.990 ( -10.272 25.810 0.000) 27.779 10.122 ( -23.919 2.594 0.000) 24.059 10.507 ( -6.012 2.721 0.000) 6.599 10.641 ( 0.500 -10.846 0.000) 10.858 11.109 ( -8.776 1.866 0.000) 8.972 11.275 ( 13.127 7.811 0.000) 15.275 11.760 ( -10.830 25.233 0.000) 27.459 12.008 ( 3.709 -19.284 0.000) 19.638 12.037 ( 0.290 0.089 0.000) 0.303 13.016 ( 13.081 -19.827 0.000) 23.753 13.229 ( 7.531 8.858 0.000) 11.627 13.310 ( 15.350 -8.935 0.000) 17.761 13.438 ( 7.833 -0.981 0.000) 7.895 13.498 ( 3.885 1.898 0.000) 4.324 14.234 ( 11.128 -5.441 0.000) 12.387 14.296 ( 4.098 -8.102 0.000) 9.079 14.658 ( -12.890 2.633 0.000) 13.156 15.134 ( -0.721 -3.726 0.000) 3.795 15.404 ( 10.732 -8.923 0.000) 13.957 15.556 ( -1.097 6.081 0.000) 6.179 16.085 ( 3.604 -2.086 0.000) 4.164 16.209 ( -5.830 -13.459 0.000) 14.667 16.341 ( -7.436 -1.441 0.000) 7.574 16.853 ( -2.024 5.639 0.000) 5.991 16.928 ( 6.469 4.123 0.000) 7.672 17.121 ( -0.437 -5.755 0.000) 5.772 17.239 ( 3.630 -4.205 0.000) 5.555 17.677 ( -22.574 2.587 0.000) 22.722 17.898 ( 8.770 1.060 0.000) 8.834 17.930 ( 6.625 -1.688 0.000) 6.837 18.434 ( 3.575 6.109 0.000) 7.079 18.730 ( -2.139 1.304 0.000) 2.505 18.854 ( -4.810 -1.629 0.000) 5.079 19.196 ( -2.144 4.215 0.000) 4.729 20.085 ( 2.131 -0.807 0.000) 2.279 20.250 ( 0.013 4.357 0.000) 4.357 20.377 ( 1.604 -6.551 0.000) 6.744 20.785 ( 9.016 1.442 0.000) 9.131 21.001 ( 5.212 0.232 0.000) 5.217 21.087 ( 5.219 -2.793 0.000) 5.920 21.206 ( 0.290 -5.594 0.000) 5.601 21.270 ( -1.323 -3.922 0.000) 4.139 21.292 ( -5.326 -0.298 0.000) 5.334 21.335 ( -3.299 -5.190 0.000) 6.150 21.653 ( 1.173 -5.088 0.000) 5.222 21.894 ( 0.553 -2.375 0.000) 2.438 21.965 ( 3.128 -1.320 0.000) 3.395 22.397 ( -1.823 0.401 0.000) 1.867 22.399 ( -4.717 0.241 0.000) 4.723 22.552 ( 3.651 1.843 0.000) 4.090 22.952 ( 5.480 0.810 0.000) 5.540 22.970 ( 1.344 -8.246 0.000) 8.355 23.185 ( -5.450 0.483 0.000) 5.471 23.413 ( 1.167 -1.548 0.000) 1.939 23.741 ( -2.562 4.051 0.000) 4.793 23.946 ( -2.628 3.464 0.000) 4.348 24.715 ( -6.186 -1.981 0.000) 6.496 25.321 ( -1.636 1.081 0.000) 1.961 25.351 ( -0.452 1.929 0.000) 1.981 25.555 ( -1.267 1.730 0.000) 2.145 25.570 ( 2.112 5.493 0.000) 5.885 25.785 ( 0.924 0.637 0.000) 1.122 25.933 ( 0.362 0.534 0.000) 0.646 26.107 ( 0.117 -3.849 0.000) 3.850 26.225 ( 1.872 -2.408 0.000) 3.050 26.581 ( -0.482 -1.900 0.000) 1.960 26.699 ( 2.308 -2.712 0.000) 3.562 26.765 ( 4.741 -0.684 0.000) 4.790 27.150 ( -1.210 -2.595 0.000) 2.863 27.156 ( 0.489 -2.565 0.000) 2.611 27.277 ( -0.571 -4.126 0.000) 4.166 27.407 ( -3.482 0.589 0.000) 3.531 27.491 ( 3.210 3.216 0.000) 4.543 27.681 ( -0.328 0.059 0.000) 0.333 27.773 ( 0.799 -0.932 0.000) 1.227 28.023 ( 2.850 3.481 0.000) 4.499 28.580 ( -3.374 0.751 0.000) 3.456 28.735 ( -1.163 -1.387 0.000) 1.810 29.275 ( 2.154 -1.696 0.000) 2.741 29.609 ( 3.820 -1.399 0.000) 4.068 ======================= Grid point 25 (19/100) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.536 ( 0.000 52.374 0.000) 52.374 2.710 ( 0.000 60.271 0.000) 60.271 4.165 ( -0.000 -2.304 0.000) 2.304 4.497 ( 0.000 7.275 0.000) 7.275 4.844 ( 0.000 112.921 0.000) 112.921 5.440 ( 0.000 3.468 0.000) 3.468 5.792 ( -0.000 -4.406 0.000) 4.406 7.184 ( 0.000 4.515 0.000) 4.515 7.598 ( 0.000 13.205 0.000) 13.205 7.639 ( 0.000 17.130 0.000) 17.130 8.885 ( 0.000 12.737 0.000) 12.737 8.913 ( -0.000 -5.996 0.000) 5.996 9.262 ( 0.000 37.434 0.000) 37.434 9.449 ( -0.000 -4.244 0.000) 4.244 9.557 ( 0.000 4.324 0.000) 4.324 9.582 ( -0.000 -6.851 0.000) 6.851 9.758 ( -0.000 -5.713 0.000) 5.713 9.848 ( -0.000 -8.661 0.000) 8.661 10.385 ( 0.000 8.236 0.000) 8.236 10.765 ( -0.000 -11.737 0.000) 11.737 11.080 ( -0.000 -6.652 0.000) 6.652 11.309 ( 0.000 25.585 0.000) 25.585 11.430 ( 0.000 2.136 0.000) 2.136 12.013 ( 0.000 4.150 0.000) 4.150 12.229 ( -0.000 -16.261 0.000) 16.261 13.199 ( 0.000 10.190 0.000) 10.190 13.260 ( -0.000 -4.288 0.000) 4.288 13.488 ( -0.000 -3.000 0.000) 3.000 13.526 ( -0.000 -1.127 0.000) 1.127 13.595 ( -0.000 -6.286 0.000) 6.286 14.424 ( -0.000 -1.641 0.000) 1.641 14.444 ( 0.000 1.644 0.000) 1.644 14.488 ( -0.000 -19.054 0.000) 19.054 15.160 ( -0.000 -3.373 0.000) 3.373 15.499 ( 0.000 3.458 0.000) 3.458 15.617 ( -0.000 -6.738 0.000) 6.738 16.196 ( 0.000 1.761 0.000) 1.761 16.199 ( -0.000 -0.564 0.000) 0.564 16.277 ( -0.000 -12.155 0.000) 12.155 16.779 ( 0.000 5.516 0.000) 5.516 16.889 ( 0.000 13.500 0.000) 13.500 17.201 ( -0.000 -8.926 0.000) 8.926 17.382 ( -0.000 -14.395 0.000) 14.395 17.428 ( 0.000 0.365 0.000) 0.365 17.974 ( 0.000 0.559 0.000) 0.559 18.021 ( -0.000 -2.434 0.000) 2.434 18.397 ( 0.000 6.957 0.000) 6.957 18.705 ( 0.000 0.638 0.000) 0.638 18.813 ( -0.000 -0.195 0.000) 0.195 19.129 ( 0.000 4.774 0.000) 4.774 20.105 ( 0.000 0.052 0.000) 0.052 20.192 ( 0.000 6.659 0.000) 6.659 20.456 ( -0.000 -6.493 0.000) 6.493 20.856 ( 0.000 1.842 0.000) 1.842 21.051 ( 0.000 0.525 0.000) 0.525 21.172 ( 0.000 2.114 0.000) 2.114 21.224 ( -0.000 -5.161 0.000) 5.161 21.274 ( -0.000 -8.169 0.000) 8.169 21.315 ( -0.000 -3.930 0.000) 3.930 21.363 ( -0.000 -5.471 0.000) 5.471 21.719 ( -0.000 -5.533 0.000) 5.533 21.922 ( -0.000 -2.083 0.000) 2.083 22.020 ( -0.000 -2.570 0.000) 2.570 22.351 ( 0.000 0.269 0.000) 0.269 22.364 ( 0.000 0.918 0.000) 0.918 22.565 ( 0.000 2.633 0.000) 2.633 23.036 ( -0.000 -0.108 0.000) 0.108 23.079 ( -0.000 -9.486 0.000) 9.486 23.083 ( 0.000 2.176 0.000) 2.176 23.430 ( -0.000 -0.621 0.000) 0.621 23.685 ( 0.000 3.425 0.000) 3.425 23.887 ( 0.000 3.185 0.000) 3.185 24.670 ( -0.000 -1.623 0.000) 1.623 25.294 ( 0.000 1.084 0.000) 1.084 25.326 ( 0.000 2.073 0.000) 2.073 25.523 ( 0.000 2.063 0.000) 2.063 25.536 ( 0.000 5.087 0.000) 5.087 25.789 ( 0.000 0.264 0.000) 0.264 25.931 ( 0.000 0.670 0.000) 0.670 26.145 ( -0.000 -3.245 0.000) 3.245 26.268 ( -0.000 -2.501 0.000) 2.501 26.596 ( -0.000 -1.820 0.000) 1.820 26.753 ( -0.000 -3.238 0.000) 3.238 26.821 ( -0.000 -0.847 0.000) 0.847 27.161 ( -0.000 -2.782 0.000) 2.782 27.192 ( -0.000 -2.598 0.000) 2.598 27.320 ( -0.000 -4.892 0.000) 4.892 27.362 ( 0.000 0.908 0.000) 0.908 27.489 ( 0.000 3.376 0.000) 3.376 27.676 ( -0.000 -0.064 0.000) 0.064 27.788 ( -0.000 -0.482 0.000) 0.482 28.012 ( 0.000 3.838 0.000) 3.838 28.540 ( 0.000 0.813 0.000) 0.813 28.740 ( -0.000 -1.429 0.000) 1.429 29.313 ( -0.000 -1.754 0.000) 1.754 29.660 ( -0.000 -1.522 0.000) 1.522 ======================= Grid point 30 (20/100) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.613 ( -12.455 0.000 0.000) 12.455 4.933 ( -19.982 0.000 0.000) 19.982 5.347 ( 9.039 -0.000 0.000) 9.039 5.535 ( 2.014 -0.000 0.000) 2.014 6.204 ( -38.600 0.000 0.000) 38.600 7.189 ( 2.806 -0.000 0.000) 2.806 7.515 ( 38.485 -0.000 0.000) 38.485 7.603 ( 43.660 -0.000 0.000) 43.660 7.620 ( 0.146 -0.000 0.000) 0.146 7.702 ( -62.935 0.000 0.000) 62.935 8.218 ( 12.589 -0.000 0.000) 12.589 9.618 ( -8.783 0.000 0.000) 8.783 9.620 ( -9.561 0.000 0.000) 9.561 9.662 ( -2.589 0.000 0.000) 2.589 9.952 ( -34.824 0.000 0.000) 34.824 10.270 ( -8.275 0.000 0.000) 8.275 10.345 ( -5.652 0.000 0.000) 5.652 10.749 ( -9.619 0.000 0.000) 9.619 10.834 ( 23.098 -0.000 0.000) 23.098 10.902 ( 19.395 -0.000 0.000) 19.395 10.982 ( -2.140 0.000 0.000) 2.140 11.262 ( -2.185 0.000 0.000) 2.185 11.436 ( 13.176 -0.000 0.000) 13.176 11.717 ( -37.213 0.000 0.000) 37.213 12.201 ( 27.108 -0.000 0.000) 27.108 12.367 ( -27.175 0.000 0.000) 27.175 12.528 ( 4.360 -0.000 0.000) 4.360 12.872 ( 7.326 -0.000 0.000) 7.326 12.954 ( 16.303 -0.000 0.000) 16.303 13.198 ( 22.393 -0.000 0.000) 22.393 13.649 ( 2.232 -0.000 0.000) 2.232 14.247 ( 14.547 -0.000 0.000) 14.547 14.921 ( -4.236 0.000 0.000) 4.236 15.142 ( 0.238 -0.000 0.000) 0.238 15.145 ( -9.872 0.000 0.000) 9.872 15.904 ( 4.330 -0.000 0.000) 4.330 16.174 ( -12.597 0.000 0.000) 12.597 16.228 ( -1.922 0.000 0.000) 1.922 16.268 ( -16.545 0.000 0.000) 16.545 16.551 ( 3.686 -0.000 0.000) 3.686 16.970 ( -3.334 0.000 0.000) 3.334 17.086 ( 10.373 -0.000 0.000) 10.373 17.441 ( -10.405 0.000 0.000) 10.405 17.454 ( 12.097 -0.000 0.000) 12.097 17.544 ( 12.026 -0.000 0.000) 12.026 18.043 ( 17.305 -0.000 0.000) 17.305 18.939 ( -31.768 0.000 0.000) 31.768 18.980 ( -6.175 0.000 0.000) 6.175 18.993 ( -2.926 0.000 0.000) 2.926 19.428 ( -6.248 0.000 0.000) 6.248 19.785 ( 9.982 -0.000 0.000) 9.982 20.050 ( 15.077 -0.000 0.000) 15.077 20.092 ( 3.202 -0.000 0.000) 3.202 20.567 ( 2.163 -0.000 0.000) 2.163 20.801 ( 6.587 -0.000 0.000) 6.587 20.846 ( 6.322 -0.000 0.000) 6.322 21.102 ( 0.283 -0.000 0.000) 0.283 21.356 ( -1.689 0.000 0.000) 1.689 21.398 ( -8.126 0.000 0.000) 8.126 21.464 ( -7.485 0.000 0.000) 7.485 21.497 ( -1.652 0.000 0.000) 1.652 21.809 ( -0.357 0.000 0.000) 0.357 21.924 ( 1.618 -0.000 0.000) 1.618 22.117 ( 11.591 -0.000 0.000) 11.591 22.610 ( -3.303 0.000 0.000) 3.303 22.703 ( -8.532 0.000 0.000) 8.532 22.732 ( 1.037 -0.000 0.000) 1.037 22.807 ( 3.717 -0.000 0.000) 3.717 23.309 ( -1.666 0.000 0.000) 1.666 23.382 ( -0.815 0.000 0.000) 0.815 23.952 ( -2.521 0.000 0.000) 2.521 24.156 ( -2.088 0.000 0.000) 2.088 24.938 ( -7.900 0.000 0.000) 7.900 25.405 ( -1.117 0.000 0.000) 1.117 25.411 ( -1.091 0.000 0.000) 1.091 25.575 ( 5.814 -0.000 0.000) 5.814 25.661 ( -2.185 0.000 0.000) 2.185 25.736 ( 3.186 -0.000 0.000) 3.186 25.952 ( -1.541 0.000 0.000) 1.541 26.027 ( -3.708 0.000 0.000) 3.708 26.064 ( 4.018 -0.000 0.000) 4.018 26.502 ( 7.616 -0.000 0.000) 7.616 26.576 ( -1.218 0.000 0.000) 1.218 26.582 ( 0.642 -0.000 0.000) 0.642 27.069 ( -0.011 0.000 0.000) 0.011 27.183 ( -3.197 0.000 0.000) 3.197 27.277 ( -3.208 0.000 0.000) 3.208 27.413 ( 4.546 -0.000 0.000) 4.546 27.549 ( -3.164 0.000 0.000) 3.164 27.676 ( 1.353 -0.000 0.000) 1.353 27.683 ( 1.718 -0.000 0.000) 1.718 27.944 ( 4.597 -0.000 0.000) 4.597 28.805 ( -8.173 0.000 0.000) 8.173 28.821 ( -5.304 0.000 0.000) 5.304 29.101 ( 4.898 -0.000 0.000) 4.898 29.343 ( 8.612 -0.000 0.000) 8.612 ======================= Grid point 32 (21/100) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.383 ( -13.022 -1.146 0.000) 13.072 4.533 ( -23.418 1.316 0.000) 23.455 5.344 ( -36.262 15.127 0.000) 39.291 5.482 ( 0.161 2.683 0.000) 2.688 5.585 ( 2.052 -2.737 0.000) 3.421 6.322 ( -64.346 20.853 0.000) 67.640 7.220 ( 3.850 3.206 0.000) 5.010 7.662 ( 4.763 6.110 0.000) 7.747 8.073 ( 16.618 5.148 0.000) 17.397 8.385 ( 34.959 -3.004 0.000) 35.088 8.504 ( 24.193 1.812 0.000) 24.261 9.130 ( -28.325 18.725 0.000) 33.955 9.430 ( -12.750 -5.046 0.000) 13.712 9.484 ( -14.685 -6.908 0.000) 16.228 9.645 ( -8.267 -2.786 0.000) 8.724 10.011 ( -27.310 26.052 0.000) 37.744 10.326 ( 0.052 -5.810 0.000) 5.811 10.370 ( -8.665 -9.877 0.000) 13.139 10.809 ( -23.835 17.464 0.000) 29.548 10.876 ( 0.020 13.968 0.000) 13.968 11.176 ( 4.747 -15.295 0.000) 16.014 11.257 ( 11.546 4.591 0.000) 12.425 11.676 ( 10.236 -34.459 0.000) 35.947 11.780 ( 11.126 -10.815 0.000) 15.516 11.859 ( -22.791 5.737 0.000) 23.502 12.563 ( 3.067 12.218 0.000) 12.597 12.745 ( 27.857 -0.894 0.000) 27.872 13.094 ( 10.658 -7.984 0.000) 13.317 13.231 ( 14.420 3.132 0.000) 14.756 13.538 ( 3.734 1.863 0.000) 4.173 13.720 ( 14.661 -6.209 0.000) 15.921 14.379 ( 6.559 9.688 0.000) 11.699 14.898 ( -0.786 -6.403 0.000) 6.451 14.945 ( -11.967 0.544 0.000) 11.980 15.165 ( 1.947 -0.407 0.000) 1.990 15.870 ( -2.454 9.910 0.000) 10.210 15.988 ( -10.717 -6.931 0.000) 12.763 16.033 ( -6.893 -1.117 0.000) 6.983 16.244 ( -2.579 -8.419 0.000) 8.805 16.685 ( 8.705 -2.398 0.000) 9.029 16.928 ( -0.519 0.453 0.000) 0.689 17.239 ( 7.359 2.477 0.000) 7.765 17.251 ( -8.807 2.638 0.000) 9.194 17.705 ( 13.776 -0.129 0.000) 13.777 17.744 ( 9.540 -0.427 0.000) 9.549 18.270 ( -6.811 7.145 0.000) 9.871 18.402 ( -11.012 -4.513 0.000) 11.901 18.856 ( -6.111 1.176 0.000) 6.223 18.915 ( -5.592 -0.504 0.000) 5.615 19.334 ( -3.573 1.219 0.000) 3.776 19.953 ( 7.187 -1.600 0.000) 7.363 20.173 ( 3.989 -2.369 0.000) 4.640 20.260 ( 6.310 -0.006 0.000) 6.310 20.632 ( 6.428 0.242 0.000) 6.433 20.913 ( 5.234 -0.863 0.000) 5.304 20.955 ( 6.422 1.997 0.000) 6.725 21.111 ( 0.447 0.000 0.000) 0.447 21.281 ( -5.779 -3.169 0.000) 6.591 21.293 ( -5.341 1.512 0.000) 5.551 21.346 ( -5.266 -2.841 0.000) 5.984 21.511 ( 1.439 -2.028 0.000) 2.486 21.822 ( 0.876 -0.947 0.000) 1.290 21.940 ( 1.646 1.737 0.000) 2.393 22.321 ( 8.261 -1.377 0.000) 8.375 22.540 ( -8.501 0.579 0.000) 8.520 22.561 ( -0.952 0.801 0.000) 1.244 22.765 ( 0.848 -3.070 0.000) 3.185 22.879 ( 4.368 0.226 0.000) 4.374 23.264 ( -3.362 -0.222 0.000) 3.370 23.374 ( 0.227 0.013 0.000) 0.227 23.888 ( -3.617 1.079 0.000) 3.774 24.091 ( -3.830 1.293 0.000) 4.042 24.797 ( -7.795 -0.851 0.000) 7.842 25.377 ( -1.650 0.295 0.000) 1.676 25.397 ( -0.321 0.469 0.000) 0.568 25.618 ( -2.116 0.396 0.000) 2.153 25.652 ( 3.877 2.338 0.000) 4.527 25.788 ( 2.748 1.066 0.000) 2.948 25.937 ( -0.247 -0.019 0.000) 0.247 25.995 ( -1.190 -2.499 0.000) 2.768 26.132 ( 2.964 -0.613 0.000) 3.027 26.555 ( -1.322 -0.590 0.000) 1.447 26.606 ( 1.969 -0.428 0.000) 2.015 26.643 ( 6.857 -0.344 0.000) 6.866 27.083 ( 0.984 -0.772 0.000) 1.250 27.132 ( -2.728 -0.901 0.000) 2.873 27.226 ( -2.585 -0.987 0.000) 2.767 27.484 ( -3.779 0.054 0.000) 3.779 27.493 ( 4.635 1.245 0.000) 4.799 27.688 ( 0.496 0.407 0.000) 0.641 27.719 ( 1.249 -0.949 0.000) 1.568 28.025 ( 4.534 1.020 0.000) 4.648 28.679 ( -5.530 0.239 0.000) 5.535 28.743 ( -3.377 -0.500 0.000) 3.413 29.183 ( 3.762 -0.519 0.000) 3.798 29.484 ( 6.512 -0.384 0.000) 6.524 ======================= Grid point 33 (22/100) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 164 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.976 ( -29.938 11.813 0.000) 32.184 4.199 ( -9.744 -2.216 0.000) 9.993 4.466 ( -27.300 32.000 0.000) 42.063 5.154 ( -34.547 19.209 0.000) 39.528 5.511 ( 2.290 2.759 0.000) 3.585 5.651 ( 1.178 -3.867 0.000) 4.042 7.265 ( 3.992 2.779 0.000) 4.864 7.632 ( 14.534 45.133 0.000) 47.416 8.046 ( 2.600 23.297 0.000) 23.442 8.454 ( -20.098 20.318 0.000) 28.579 8.904 ( 17.489 -1.255 0.000) 17.534 8.959 ( -10.761 0.430 0.000) 10.770 9.116 ( 6.703 6.656 0.000) 9.446 9.343 ( -10.724 -13.012 0.000) 16.862 9.415 ( -8.879 -10.122 0.000) 13.465 9.516 ( -3.257 6.045 0.000) 6.866 10.185 ( -28.819 4.358 0.000) 29.147 10.413 ( 3.443 -1.446 0.000) 3.734 10.465 ( 2.091 -6.265 0.000) 6.604 10.664 ( -2.476 24.025 0.000) 24.152 11.214 ( -11.443 3.310 0.000) 11.912 11.425 ( 10.612 5.220 0.000) 11.827 11.618 ( -2.000 -14.486 0.000) 14.623 11.998 ( 5.043 -3.320 0.000) 6.038 12.236 ( 6.568 -12.778 0.000) 14.368 12.411 ( 1.241 -1.915 0.000) 2.282 13.186 ( 17.709 -3.744 0.000) 18.100 13.341 ( 5.278 -9.244 0.000) 10.645 13.363 ( 4.095 5.091 0.000) 6.534 13.519 ( -0.218 -0.675 0.000) 0.709 14.119 ( 17.345 -5.203 0.000) 18.109 14.353 ( 3.368 10.979 0.000) 11.484 14.696 ( -13.996 1.121 0.000) 14.040 15.014 ( 2.166 -9.497 0.000) 9.741 15.243 ( 5.216 -4.872 0.000) 7.137 15.704 ( -3.647 7.948 0.000) 8.745 15.928 ( -7.111 -12.776 0.000) 14.621 16.029 ( 2.815 -2.918 0.000) 4.055 16.260 ( -4.457 -6.237 0.000) 7.666 16.883 ( 8.596 -3.603 0.000) 9.320 16.932 ( 1.093 1.678 0.000) 2.003 17.083 ( -5.826 1.917 0.000) 6.133 17.306 ( 4.689 5.149 0.000) 6.964 17.761 ( -23.965 5.130 0.000) 24.508 17.898 ( 5.572 -1.263 0.000) 5.713 17.919 ( 9.073 0.867 0.000) 9.115 18.526 ( 6.712 2.441 0.000) 7.142 18.755 ( -3.257 1.037 0.000) 3.418 18.819 ( -5.104 -1.369 0.000) 5.284 19.266 ( -1.839 2.482 0.000) 3.089 20.068 ( 3.917 -0.694 0.000) 3.977 20.266 ( 2.224 -3.976 0.000) 4.556 20.298 ( 0.139 0.800 0.000) 0.812 20.778 ( 6.845 -1.689 0.000) 7.050 21.018 ( 3.993 -3.379 0.000) 5.231 21.030 ( 4.245 2.203 0.000) 4.782 21.135 ( 1.246 -1.370 0.000) 1.852 21.185 ( -6.362 -3.447 0.000) 7.236 21.236 ( -3.531 -4.278 0.000) 5.547 21.301 ( -1.696 0.342 0.000) 1.730 21.570 ( 1.676 -2.912 0.000) 3.360 21.851 ( 0.750 -1.590 0.000) 1.758 21.958 ( 1.575 0.427 0.000) 1.632 22.396 ( -0.323 -0.328 0.000) 0.460 22.402 ( -5.600 0.078 0.000) 5.601 22.583 ( 3.660 1.312 0.000) 3.888 22.823 ( 0.509 -5.728 0.000) 5.751 22.963 ( 5.122 0.350 0.000) 5.134 23.190 ( -4.753 0.043 0.000) 4.753 23.393 ( 1.301 -0.527 0.000) 1.404 23.810 ( -2.511 2.540 0.000) 3.572 24.008 ( -2.796 2.354 0.000) 3.655 24.682 ( -5.496 -1.160 0.000) 5.617 25.343 ( -1.234 0.928 0.000) 1.544 25.385 ( -0.055 1.294 0.000) 1.295 25.580 ( -1.251 0.778 0.000) 1.473 25.673 ( 2.013 4.105 0.000) 4.572 25.809 ( 1.232 1.815 0.000) 2.194 25.939 ( 0.314 0.027 0.000) 0.315 26.023 ( 0.054 -4.151 0.000) 4.151 26.185 ( 1.646 -1.430 0.000) 2.181 26.545 ( -0.844 -1.490 0.000) 1.713 26.650 ( 1.432 -1.908 0.000) 2.385 26.755 ( 4.605 -0.336 0.000) 4.617 27.104 ( -1.699 -1.712 0.000) 2.412 27.116 ( 1.332 -1.310 0.000) 1.868 27.207 ( -1.332 -2.534 0.000) 2.863 27.415 ( -3.312 0.250 0.000) 3.321 27.551 ( 3.659 2.491 0.000) 4.426 27.681 ( -0.962 -0.016 0.000) 0.962 27.750 ( 0.940 -1.195 0.000) 1.521 28.080 ( 2.869 1.990 0.000) 3.491 28.597 ( -2.868 0.839 0.000) 2.988 28.708 ( -1.453 -1.172 0.000) 1.867 29.245 ( 2.046 -1.098 0.000) 2.322 29.584 ( 3.573 -0.936 0.000) 3.693 ======================= Grid point 34 (23/100) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.391 ( 0.000 30.298 0.000) 30.298 3.799 ( 0.000 45.570 0.000) 45.570 4.122 ( -0.000 -1.920 0.000) 1.920 4.707 ( 0.000 13.585 0.000) 13.585 5.504 ( 0.000 2.858 0.000) 2.858 5.703 ( -0.000 -4.192 0.000) 4.192 6.992 ( 0.000 96.645 0.000) 96.645 7.280 ( 0.000 3.788 0.000) 3.788 7.888 ( 0.000 14.989 0.000) 14.989 8.037 ( 0.000 21.274 0.000) 21.274 8.703 ( -0.000 -12.671 0.000) 12.671 9.062 ( 0.000 2.999 0.000) 2.999 9.378 ( -0.000 -14.559 0.000) 14.559 9.436 ( 0.000 5.000 0.000) 5.000 9.439 ( -0.000 -8.630 0.000) 8.630 9.646 ( -0.000 -8.449 0.000) 8.449 9.646 ( 0.000 3.491 0.000) 3.491 10.257 ( 0.000 40.630 0.000) 40.630 10.475 ( 0.000 0.079 0.000) 0.079 10.560 ( -0.000 -7.883 0.000) 7.883 11.040 ( 0.000 3.037 0.000) 3.037 11.498 ( 0.000 3.591 0.000) 3.591 11.826 ( -0.000 -22.093 0.000) 22.093 11.945 ( 0.000 35.013 0.000) 35.013 12.053 ( 0.000 0.130 0.000) 0.130 12.847 ( -0.000 -37.327 0.000) 37.327 13.335 ( 0.000 4.036 0.000) 4.036 13.457 ( -0.000 -7.175 0.000) 7.175 13.463 ( -0.000 -5.846 0.000) 5.846 13.491 ( 0.000 1.995 0.000) 1.995 14.306 ( 0.000 3.437 0.000) 3.437 14.403 ( -0.000 -0.591 0.000) 0.591 14.456 ( -0.000 -0.531 0.000) 0.531 15.094 ( -0.000 -3.963 0.000) 3.963 15.422 ( -0.000 -11.789 0.000) 11.789 15.598 ( 0.000 6.381 0.000) 6.381 15.993 ( -0.000 -14.691 0.000) 14.691 16.137 ( -0.000 -5.487 0.000) 5.487 16.221 ( -0.000 -0.580 0.000) 0.580 16.892 ( 0.000 5.970 0.000) 5.970 17.018 ( -0.000 -3.034 0.000) 3.034 17.053 ( -0.000 -4.844 0.000) 4.844 17.309 ( 0.000 9.099 0.000) 9.099 17.438 ( 0.000 0.574 0.000) 0.574 17.973 ( -0.000 -2.084 0.000) 2.084 17.994 ( 0.000 1.222 0.000) 1.222 18.538 ( 0.000 6.390 0.000) 6.390 18.719 ( 0.000 0.681 0.000) 0.681 18.787 ( -0.000 -2.195 0.000) 2.195 19.218 ( 0.000 3.644 0.000) 3.644 20.106 ( 0.000 0.042 0.000) 0.042 20.283 ( 0.000 2.188 0.000) 2.188 20.332 ( -0.000 -5.246 0.000) 5.246 20.866 ( -0.000 -1.524 0.000) 1.524 21.064 ( 0.000 0.747 0.000) 0.747 21.121 ( -0.000 -4.576 0.000) 4.576 21.146 ( -0.000 -4.781 0.000) 4.781 21.157 ( -0.000 -2.433 0.000) 2.433 21.251 ( -0.000 -5.120 0.000) 5.120 21.279 ( 0.000 0.652 0.000) 0.652 21.620 ( -0.000 -3.937 0.000) 3.937 21.877 ( -0.000 -2.056 0.000) 2.056 21.981 ( -0.000 -1.125 0.000) 1.125 22.351 ( -0.000 -0.285 0.000) 0.285 22.381 ( 0.000 0.713 0.000) 0.713 22.608 ( 0.000 1.615 0.000) 1.615 22.897 ( -0.000 -7.824 0.000) 7.824 23.035 ( -0.000 -0.006 0.000) 0.006 23.115 ( 0.000 0.944 0.000) 0.944 23.415 ( -0.000 -0.754 0.000) 0.754 23.757 ( 0.000 3.305 0.000) 3.305 23.954 ( 0.000 3.050 0.000) 3.050 24.639 ( -0.000 -1.275 0.000) 1.275 25.319 ( 0.000 1.297 0.000) 1.297 25.368 ( 0.000 1.912 0.000) 1.912 25.558 ( 0.000 1.282 0.000) 1.282 25.644 ( 0.000 5.128 0.000) 5.128 25.803 ( 0.000 1.260 0.000) 1.260 25.941 ( 0.000 0.323 0.000) 0.323 26.067 ( -0.000 -4.232 0.000) 4.232 26.219 ( -0.000 -2.154 0.000) 2.154 26.555 ( -0.000 -2.021 0.000) 2.021 26.689 ( -0.000 -2.842 0.000) 2.842 26.805 ( -0.000 -0.669 0.000) 0.669 27.108 ( -0.000 -2.300 0.000) 2.300 27.147 ( -0.000 -1.762 0.000) 1.762 27.228 ( -0.000 -3.834 0.000) 3.834 27.376 ( 0.000 0.509 0.000) 0.509 27.560 ( 0.000 3.410 0.000) 3.410 27.669 ( -0.000 -0.489 0.000) 0.489 27.772 ( -0.000 -1.107 0.000) 1.107 28.082 ( 0.000 2.845 0.000) 2.845 28.560 ( 0.000 1.110 0.000) 1.110 28.709 ( -0.000 -1.496 0.000) 1.496 29.278 ( -0.000 -1.534 0.000) 1.534 29.629 ( -0.000 -1.363 0.000) 1.363 ======================= Grid point 41 (24/100) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.088 ( -24.994 0.000 0.000) 24.994 4.171 ( -8.803 0.000 0.000) 8.803 4.811 ( -25.545 0.000 0.000) 25.545 5.380 ( -40.250 0.000 0.000) 40.250 5.557 ( 2.528 -0.000 0.000) 2.528 5.594 ( 0.955 -0.000 0.000) 0.955 7.284 ( 2.534 -0.000 0.000) 2.534 7.928 ( 16.601 -0.000 0.000) 16.601 8.343 ( 8.261 -0.000 0.000) 8.261 8.767 ( -21.310 0.000 0.000) 21.310 8.878 ( 18.158 -0.000 0.000) 18.158 9.006 ( 25.126 -0.000 0.000) 25.126 9.088 ( -12.816 0.000 0.000) 12.816 9.193 ( -8.504 0.000 0.000) 8.504 9.490 ( -32.491 0.000 0.000) 32.491 9.631 ( -0.665 0.000 0.000) 0.665 10.312 ( -35.121 0.000 0.000) 35.121 10.361 ( 6.295 -0.000 0.000) 6.295 10.365 ( 4.925 -0.000 0.000) 4.925 10.998 ( 1.145 -0.000 0.000) 1.145 11.125 ( 1.394 -0.000 0.000) 1.394 11.379 ( 6.707 -0.000 0.000) 6.707 11.535 ( -15.105 0.000 0.000) 15.105 11.779 ( 12.089 -0.000 0.000) 12.089 11.951 ( 9.476 -0.000 0.000) 9.476 12.729 ( 4.067 -0.000 0.000) 4.067 13.148 ( 15.998 -0.000 0.000) 15.998 13.160 ( 2.966 -0.000 0.000) 2.966 13.451 ( 6.917 -0.000 0.000) 6.917 13.470 ( -5.155 0.000 0.000) 5.155 14.059 ( 20.706 -0.000 0.000) 20.706 14.549 ( 5.393 -0.000 0.000) 5.393 14.707 ( -14.511 0.000 0.000) 14.511 14.840 ( -0.381 0.000 0.000) 0.381 15.204 ( 2.135 -0.000 0.000) 2.135 15.778 ( -7.073 0.000 0.000) 7.073 15.809 ( -5.098 0.000 0.000) 5.098 16.005 ( -0.050 0.000 0.000) 0.050 16.158 ( -1.500 0.000 0.000) 1.500 16.847 ( 9.373 -0.000 0.000) 9.373 16.944 ( 2.223 -0.000 0.000) 2.223 17.119 ( -6.945 0.000 0.000) 6.945 17.360 ( 4.809 -0.000 0.000) 4.809 17.829 ( -24.908 0.000 0.000) 24.908 17.884 ( 5.703 -0.000 0.000) 5.703 17.928 ( 9.370 -0.000 0.000) 9.370 18.542 ( 9.137 -0.000 0.000) 9.137 18.767 ( -3.800 0.000 0.000) 3.800 18.807 ( -5.615 0.000 0.000) 5.615 19.292 ( -1.789 0.000 0.000) 1.789 20.061 ( 4.771 -0.000 0.000) 4.771 20.225 ( 2.661 -0.000 0.000) 2.661 20.303 ( -0.215 0.000 0.000) 0.215 20.755 ( 5.968 -0.000 0.000) 5.968 20.978 ( 3.044 -0.000 0.000) 3.044 21.056 ( 3.096 -0.000 0.000) 3.096 21.136 ( 1.461 -0.000 0.000) 1.461 21.148 ( -7.612 0.000 0.000) 7.612 21.179 ( -2.520 0.000 0.000) 2.520 21.303 ( -0.878 0.000 0.000) 0.878 21.540 ( 2.072 -0.000 0.000) 2.072 21.834 ( 0.827 -0.000 0.000) 0.827 21.966 ( 0.596 -0.000 0.000) 0.596 22.391 ( 0.764 -0.000 0.000) 0.764 22.403 ( -6.094 0.000 0.000) 6.094 22.600 ( 3.463 -0.000 0.000) 3.463 22.760 ( 0.430 -0.000 0.000) 0.430 22.967 ( 4.994 -0.000 0.000) 4.994 23.190 ( -4.534 0.000 0.000) 4.534 23.388 ( 1.155 -0.000 0.000) 1.155 23.837 ( -2.453 0.000 0.000) 2.453 24.033 ( -2.822 0.000 0.000) 2.822 24.670 ( -5.228 0.000 0.000) 5.228 25.353 ( -1.038 0.000 0.000) 1.038 25.399 ( 0.130 -0.000 0.000) 0.130 25.588 ( -1.270 0.000 0.000) 1.270 25.716 ( 1.812 -0.000 0.000) 1.812 25.844 ( 2.096 -0.000 0.000) 2.096 25.932 ( -0.158 0.000 0.000) 0.158 25.971 ( -0.074 0.000 0.000) 0.074 26.170 ( 1.542 -0.000 0.000) 1.542 26.528 ( -1.053 0.000 0.000) 1.053 26.629 ( 1.171 -0.000 0.000) 1.171 26.752 ( 4.487 -0.000 0.000) 4.487 27.086 ( -1.704 0.000 0.000) 1.704 27.103 ( 1.455 -0.000 0.000) 1.455 27.181 ( -1.553 0.000 0.000) 1.553 27.418 ( -3.242 0.000 0.000) 3.242 27.579 ( 3.846 -0.000 0.000) 3.846 27.682 ( -1.104 0.000 0.000) 1.104 27.735 ( 0.788 -0.000 0.000) 0.788 28.100 ( 2.873 -0.000 0.000) 2.873 28.607 ( -2.603 0.000 0.000) 2.603 28.694 ( -1.613 0.000 0.000) 1.613 29.234 ( 2.001 -0.000 0.000) 2.001 29.574 ( 3.480 -0.000 0.000) 3.480 ======================= Grid point 43 (25/100) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( 0.000 8.132 0.000) 8.132 4.091 ( -0.000 -0.988 0.000) 0.988 4.473 ( 0.000 18.396 0.000) 18.396 4.974 ( 0.000 9.178 0.000) 9.178 5.559 ( 0.000 2.640 0.000) 2.640 5.626 ( -0.000 -3.251 0.000) 3.251 7.313 ( -0.000 -0.036 0.000) 0.036 8.099 ( 0.000 9.010 0.000) 9.010 8.455 ( 0.000 17.527 0.000) 17.527 8.485 ( -0.000 -6.706 0.000) 6.706 8.637 ( 0.000 51.450 0.000) 51.450 9.046 ( -0.000 -15.414 0.000) 15.414 9.058 ( -0.000 -1.023 0.000) 1.023 9.209 ( -0.000 -12.061 0.000) 12.061 9.590 ( 0.000 6.399 0.000) 6.399 9.626 ( 0.000 6.865 0.000) 6.865 9.691 ( 0.000 1.011 0.000) 1.011 10.440 ( -0.000 -4.380 0.000) 4.380 10.448 ( -0.000 -1.171 0.000) 1.171 10.912 ( 0.000 19.298 0.000) 19.298 11.122 ( 0.000 2.802 0.000) 2.802 11.443 ( -0.000 -12.080 0.000) 12.080 11.500 ( -0.000 -6.551 0.000) 6.551 12.014 ( -0.000 -14.469 0.000) 14.469 12.066 ( -0.000 -14.448 0.000) 14.448 12.610 ( 0.000 26.250 0.000) 26.250 13.267 ( -0.000 -12.635 0.000) 12.635 13.327 ( -0.000 -4.463 0.000) 4.463 13.403 ( 0.000 2.569 0.000) 2.569 13.509 ( -0.000 -0.334 0.000) 0.334 14.396 ( -0.000 -0.144 0.000) 0.144 14.434 ( -0.000 -1.017 0.000) 1.017 14.515 ( 0.000 13.222 0.000) 13.222 14.926 ( -0.000 -12.441 0.000) 12.441 15.244 ( -0.000 -3.668 0.000) 3.668 15.734 ( 0.000 5.422 0.000) 5.422 15.749 ( -0.000 -7.386 0.000) 7.386 16.025 ( -0.000 -3.878 0.000) 3.878 16.164 ( -0.000 -3.579 0.000) 3.579 16.962 ( -0.000 -1.212 0.000) 1.212 17.002 ( 0.000 3.627 0.000) 3.627 17.003 ( -0.000 -0.767 0.000) 0.767 17.447 ( 0.000 0.264 0.000) 0.264 17.494 ( 0.000 5.826 0.000) 5.826 17.943 ( -0.000 -0.794 0.000) 0.794 18.015 ( 0.000 0.609 0.000) 0.609 18.634 ( 0.000 2.626 0.000) 2.626 18.729 ( 0.000 0.306 0.000) 0.306 18.742 ( -0.000 -1.656 0.000) 1.656 19.269 ( 0.000 1.298 0.000) 1.298 20.106 ( 0.000 0.010 0.000) 0.010 20.259 ( -0.000 -1.783 0.000) 1.783 20.297 ( -0.000 -0.149 0.000) 0.149 20.821 ( -0.000 -1.653 0.000) 1.653 21.052 ( -0.000 -3.122 0.000) 3.122 21.053 ( -0.000 -1.834 0.000) 1.834 21.076 ( 0.000 0.284 0.000) 0.284 21.150 ( 0.000 0.471 0.000) 0.471 21.175 ( -0.000 -2.050 0.000) 2.050 21.293 ( 0.000 0.394 0.000) 0.394 21.567 ( -0.000 -1.245 0.000) 1.245 21.847 ( -0.000 -0.801 0.000) 0.801 21.971 ( -0.000 -0.026 0.000) 0.026 22.344 ( -0.000 -0.237 0.000) 0.237 22.391 ( 0.000 0.253 0.000) 0.253 22.633 ( 0.000 0.790 0.000) 0.790 22.781 ( -0.000 -3.243 0.000) 3.243 23.035 ( 0.000 0.025 0.000) 0.025 23.125 ( 0.000 0.155 0.000) 0.155 23.404 ( -0.000 -0.291 0.000) 0.291 23.806 ( 0.000 1.330 0.000) 1.330 23.999 ( 0.000 1.255 0.000) 1.255 24.622 ( -0.000 -0.451 0.000) 0.451 25.340 ( 0.000 0.633 0.000) 0.633 25.397 ( 0.000 0.786 0.000) 0.786 25.574 ( 0.000 0.342 0.000) 0.342 25.722 ( 0.000 2.034 0.000) 2.034 25.846 ( 0.000 2.723 0.000) 2.723 25.939 ( -0.000 -0.875 0.000) 0.875 25.986 ( -0.000 -2.895 0.000) 2.895 26.188 ( -0.000 -0.772 0.000) 0.772 26.523 ( -0.000 -0.950 0.000) 0.950 26.647 ( -0.000 -1.148 0.000) 1.148 26.795 ( -0.000 -0.248 0.000) 0.248 27.074 ( -0.000 -0.909 0.000) 0.909 27.123 ( -0.000 -0.601 0.000) 0.601 27.174 ( -0.000 -1.416 0.000) 1.416 27.383 ( 0.000 0.159 0.000) 0.159 27.617 ( 0.000 1.830 0.000) 1.830 27.661 ( -0.000 -0.267 0.000) 0.267 27.747 ( -0.000 -0.985 0.000) 0.985 28.122 ( 0.000 1.026 0.000) 1.026 28.580 ( 0.000 0.698 0.000) 0.698 28.684 ( -0.000 -0.805 0.000) 0.805 29.255 ( -0.000 -0.604 0.000) 0.604 29.609 ( -0.000 -0.545 0.000) 0.545 ======================= Grid point 85 (26/100) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 0.000 74.571) 74.571 1.520 ( 0.000 0.000 74.840) 74.840 2.739 ( 0.000 0.000 136.242) 136.242 4.222 ( 0.000 0.000 -2.098) 2.098 4.365 ( 0.000 0.000 2.314) 2.314 5.376 ( 0.000 0.000 4.104) 4.104 5.871 ( 0.000 0.000 -3.496) 3.496 6.541 ( 0.000 0.000 -41.077) 41.077 6.790 ( 0.000 0.000 -41.180) 41.180 7.692 ( 0.000 0.000 21.205) 21.205 8.379 ( 0.000 0.000 12.864) 12.864 8.479 ( 0.000 0.000 -1.546) 1.546 9.224 ( 0.000 0.000 28.612) 28.612 9.362 ( 0.000 0.000 -11.711) 11.711 9.515 ( 0.000 0.000 -3.478) 3.478 9.555 ( 0.000 0.000 2.409) 2.409 9.941 ( 0.000 0.000 -2.909) 2.909 10.037 ( 0.000 0.000 13.821) 13.821 10.136 ( 0.000 0.000 -1.791) 1.791 10.738 ( 0.000 0.000 -8.557) 8.557 11.047 ( 0.000 0.000 -23.139) 23.139 11.081 ( 0.000 0.000 3.389) 3.389 11.347 ( 0.000 0.000 -9.769) 9.769 11.675 ( 0.000 0.000 -5.204) 5.204 12.486 ( 0.000 0.000 -27.432) 27.432 12.772 ( 0.000 0.000 -1.299) 1.299 13.148 ( 0.000 0.000 -33.064) 33.064 13.188 ( 0.000 0.000 -8.779) 8.779 13.810 ( 0.000 0.000 3.644) 3.644 13.985 ( 0.000 0.000 11.472) 11.472 14.303 ( 0.000 0.000 -6.573) 6.573 14.558 ( 0.000 0.000 5.888) 5.888 14.809 ( 0.000 0.000 0.131) 0.131 15.331 ( 0.000 0.000 -11.847) 11.847 15.507 ( 0.000 0.000 0.280) 0.280 15.508 ( 0.000 0.000 17.515) 17.515 16.277 ( 0.000 0.000 10.749) 10.749 16.400 ( 0.000 0.000 -3.005) 3.005 16.622 ( 0.000 0.000 -15.188) 15.188 16.650 ( 0.000 0.000 26.540) 26.540 16.702 ( 0.000 0.000 15.233) 15.233 17.402 ( 0.000 0.000 1.518) 1.518 17.662 ( 0.000 0.000 15.646) 15.646 17.797 ( 0.000 0.000 0.380) 0.380 17.938 ( 0.000 0.000 -5.878) 5.878 18.020 ( 0.000 0.000 -9.599) 9.599 18.095 ( 0.000 0.000 -8.331) 8.331 18.682 ( 0.000 0.000 -10.042) 10.042 18.756 ( 0.000 0.000 8.288) 8.288 19.217 ( 0.000 0.000 19.534) 19.534 19.965 ( 0.000 0.000 0.054) 0.054 20.211 ( 0.000 0.000 8.811) 8.811 20.593 ( 0.000 0.000 -2.155) 2.155 20.809 ( 0.000 0.000 -0.122) 0.122 21.059 ( 0.000 0.000 1.248) 1.248 21.109 ( 0.000 0.000 1.321) 1.321 21.338 ( 0.000 0.000 -5.777) 5.777 21.377 ( 0.000 0.000 2.338) 2.338 21.480 ( 0.000 0.000 -1.090) 1.090 21.589 ( 0.000 0.000 3.705) 3.705 21.877 ( 0.000 0.000 -31.788) 31.788 21.890 ( 0.000 0.000 0.091) 0.091 22.006 ( 0.000 0.000 6.145) 6.145 22.132 ( 0.000 0.000 3.007) 3.007 22.435 ( 0.000 0.000 0.164) 0.164 22.504 ( 0.000 0.000 -1.341) 1.341 22.806 ( 0.000 0.000 -13.920) 13.920 22.955 ( 0.000 0.000 -7.946) 7.946 23.439 ( 0.000 0.000 0.491) 0.491 23.447 ( 0.000 0.000 -4.874) 4.874 23.527 ( 0.000 0.000 14.584) 14.584 24.275 ( 0.000 0.000 30.212) 30.212 24.624 ( 0.000 0.000 -8.362) 8.362 25.271 ( 0.000 0.000 -0.611) 0.611 25.302 ( 0.000 0.000 3.278) 3.278 25.385 ( 0.000 0.000 1.294) 1.294 25.489 ( 0.000 0.000 -0.700) 0.700 25.815 ( 0.000 0.000 2.629) 2.629 25.949 ( 0.000 0.000 3.300) 3.300 26.217 ( 0.000 0.000 0.157) 0.157 26.311 ( 0.000 0.000 -1.507) 1.507 26.522 ( 0.000 0.000 -11.310) 11.310 26.812 ( 0.000 0.000 -1.563) 1.563 26.865 ( 0.000 0.000 -5.515) 5.515 27.240 ( 0.000 0.000 -0.209) 0.209 27.270 ( 0.000 0.000 -3.147) 3.147 27.276 ( 0.000 0.000 0.606) 0.606 27.412 ( 0.000 0.000 -0.103) 0.103 27.522 ( 0.000 0.000 4.479) 4.479 27.661 ( 0.000 0.000 -0.137) 0.137 27.796 ( 0.000 0.000 2.037) 2.037 27.933 ( 0.000 0.000 -0.056) 0.056 28.541 ( 0.000 0.000 1.730) 1.730 28.755 ( 0.000 0.000 -1.485) 1.485 29.382 ( 0.000 0.000 2.608) 2.608 29.678 ( 0.000 0.000 -1.894) 1.894 ======================= Grid point 86 (27/100) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.155 ( 40.426 -36.082 50.077) 73.782 2.405 ( 60.714 -19.304 51.090) 81.664 3.528 ( 61.973 -29.301 97.988) 119.586 4.309 ( 9.240 -0.961 -1.034) 9.347 4.906 ( 35.648 11.143 -20.701) 42.702 5.380 ( -0.556 -1.195 4.017) 4.228 5.846 ( -1.910 1.443 -3.341) 4.110 6.628 ( 7.027 -2.580 -37.413) 38.155 7.040 ( 22.903 -6.816 -38.492) 45.306 7.705 ( 1.288 -0.336 19.530) 19.575 8.423 ( -2.366 -3.900 8.249) 9.426 8.584 ( 4.824 -14.613 1.979) 15.515 9.210 ( -9.378 -4.373 24.010) 26.145 9.347 ( 3.189 4.585 -11.327) 12.629 9.423 ( 0.044 -4.830 1.133) 4.961 9.850 ( 16.347 0.487 -3.911) 16.815 9.999 ( 6.957 -2.657 5.531) 9.277 10.115 ( 9.330 4.668 1.600) 10.555 10.218 ( 9.671 -6.246 1.369) 11.593 10.727 ( -2.170 -2.541 -9.797) 10.352 11.073 ( 5.552 3.311 -3.284) 7.250 11.153 ( 3.552 -3.110 -10.826) 11.811 11.379 ( 6.495 5.242 -10.456) 13.378 11.704 ( 1.615 -4.123 -8.822) 9.870 12.438 ( -9.914 -5.190 -20.983) 23.781 12.590 ( -11.971 6.721 -6.267) 15.091 12.868 ( -22.270 -10.626 -6.032) 25.402 13.108 ( -5.669 0.975 -21.213) 21.979 13.847 ( -2.650 8.322 14.909) 17.278 13.915 ( -0.165 7.116 6.660) 9.748 14.245 ( -6.678 -2.541 -3.316) 7.877 14.579 ( 4.237 2.058 2.405) 5.289 14.773 ( -4.135 2.481 4.583) 6.653 15.332 ( 0.313 2.471 -10.970) 11.250 15.460 ( 1.075 3.483 9.540) 10.212 15.547 ( 0.657 -3.460 7.713) 8.479 16.221 ( -4.394 -0.791 1.434) 4.689 16.468 ( -6.650 -0.748 -8.487) 10.808 16.520 ( 6.473 -4.576 2.208) 8.229 16.585 ( -5.125 -0.801 22.947) 23.526 16.768 ( 4.195 2.235 11.697) 12.626 17.399 ( -0.634 2.975 1.493) 3.388 17.645 ( -3.673 4.374 2.492) 6.232 17.796 ( -4.145 1.965 -1.213) 4.745 17.847 ( 1.446 -0.302 2.730) 3.104 17.937 ( -8.587 -0.357 -3.700) 9.357 18.093 ( -1.379 -2.419 -9.925) 10.308 18.759 ( 6.233 0.485 -10.182) 11.948 18.791 ( 4.100 -0.633 7.150) 8.267 19.259 ( 3.868 -1.350 20.618) 21.021 19.984 ( 0.210 -3.560 -0.473) 3.598 20.199 ( -1.334 0.313 7.122) 7.252 20.571 ( -1.155 2.477 -2.498) 3.703 20.703 ( -10.912 0.421 -2.231) 11.146 21.022 ( -4.003 0.130 0.824) 4.089 21.116 ( -0.291 -1.198 1.660) 2.068 21.266 ( -5.342 1.003 -3.468) 6.447 21.425 ( 4.724 1.772 1.431) 5.245 21.463 ( -1.050 2.386 -0.412) 2.639 21.514 ( -3.530 1.103 0.442) 3.725 21.872 ( -1.143 1.884 -0.875) 2.371 21.956 ( 2.790 -0.469 -12.355) 12.675 22.007 ( 3.830 1.729 -6.646) 7.863 22.099 ( -2.882 0.771 3.145) 4.335 22.415 ( -3.557 -0.129 -0.284) 3.570 22.517 ( 3.447 -0.670 -0.127) 3.514 22.749 ( -4.442 0.006 -12.300) 13.078 23.012 ( 4.241 0.400 -9.336) 10.262 23.372 ( -3.402 -0.279 6.198) 7.075 23.453 ( -0.401 -1.387 -2.442) 2.837 23.643 ( 9.148 0.331 8.481) 12.479 24.208 ( -5.433 0.304 24.414) 25.013 24.717 ( 8.554 0.636 -5.163) 10.011 25.282 ( 0.855 -0.460 -0.766) 1.236 25.325 ( 2.039 -0.254 3.058) 3.684 25.388 ( -0.697 -1.366 0.949) 1.804 25.493 ( 0.531 -0.927 0.012) 1.069 25.801 ( -1.696 -0.336 1.994) 2.639 25.947 ( -0.047 0.138 3.313) 3.316 26.208 ( -0.255 1.203 -0.087) 1.233 26.288 ( -2.177 0.293 -1.486) 2.652 26.517 ( -0.543 0.411 -10.635) 10.657 26.773 ( -3.490 0.554 -0.329) 3.549 26.808 ( -3.501 1.150 -2.197) 4.290 27.231 ( -0.314 1.633 -1.528) 2.259 27.248 ( -0.598 0.294 -1.375) 1.528 27.307 ( 2.189 1.168 -1.798) 3.064 27.394 ( -2.046 -1.078 0.791) 2.444 27.520 ( 0.359 0.694 4.508) 4.575 27.667 ( -0.059 0.011 -1.342) 1.344 27.795 ( -0.418 -0.438 1.717) 1.821 27.906 ( -2.693 -0.989 0.954) 3.024 28.576 ( 3.722 -0.078 1.363) 3.965 28.761 ( 0.859 0.314 -1.361) 1.640 29.357 ( -2.470 0.591 2.482) 3.551 29.636 ( -4.225 0.466 -1.791) 4.613 ======================= Grid point 87 (28/100) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.370 ( 46.650 -37.683 28.278) 66.301 3.725 ( 58.600 -22.006 35.191) 71.810 4.501 ( 16.423 0.187 3.473) 16.788 4.997 ( 32.803 -11.207 19.175) 39.614 5.366 ( 1.438 1.097 1.849) 2.587 5.572 ( 61.476 -19.772 25.080) 69.276 5.775 ( -3.002 1.288 -1.986) 3.823 6.815 ( 11.305 0.401 -27.031) 29.302 7.594 ( 16.116 -2.800 -7.974) 18.198 7.845 ( 22.583 -9.384 -9.058) 26.079 8.344 ( -9.530 -2.068 6.084) 11.494 8.779 ( -4.936 -7.616 -2.571) 9.433 8.959 ( -14.387 -5.075 10.222) 18.364 9.476 ( 11.138 -3.191 -6.988) 13.530 9.563 ( 4.409 -7.297 7.518) 11.367 9.948 ( 6.007 4.410 5.736) 9.404 10.199 ( 4.730 -1.096 -1.802) 5.179 10.415 ( 20.485 -3.364 -4.749) 21.295 10.638 ( 27.011 -0.922 -1.503) 27.068 10.722 ( 2.417 -0.782 -4.190) 4.900 11.198 ( 8.926 -1.113 -4.749) 10.172 11.258 ( 4.467 -8.741 -6.644) 11.854 11.462 ( 10.981 9.886 -1.818) 14.887 11.830 ( 7.249 -0.687 -18.544) 19.922 12.238 ( -7.762 -0.466 -4.809) 9.143 12.371 ( -17.580 -11.051 -21.212) 29.684 12.614 ( -17.454 -11.362 -5.208) 21.468 12.935 ( -11.782 2.768 -15.363) 19.557 13.623 ( -11.212 13.694 12.484) 21.659 13.661 ( -14.671 11.769 15.649) 24.467 14.124 ( -9.472 -1.152 5.045) 10.793 14.598 ( -10.086 4.705 12.535) 16.763 14.697 ( 9.199 1.137 -4.533) 10.318 15.312 ( 2.241 5.963 -7.993) 10.221 15.457 ( -0.248 -0.029 7.469) 7.474 15.583 ( 0.263 -0.792 12.001) 12.030 16.170 ( -0.070 0.633 -5.100) 5.139 16.392 ( -4.290 -3.311 -14.629) 15.601 16.516 ( -2.422 -2.995 7.819) 8.716 16.739 ( 10.284 -2.964 6.807) 12.684 16.806 ( 3.265 4.567 11.106) 12.444 17.287 ( -6.642 6.416 1.778) 9.405 17.431 ( -10.639 7.444 -0.975) 13.021 17.606 ( -11.008 -2.905 -1.514) 11.485 17.764 ( -10.778 -2.027 0.272) 10.971 18.029 ( 7.409 0.625 -3.501) 8.219 18.110 ( 3.760 -4.578 -6.755) 8.985 18.841 ( 4.559 2.354 -8.417) 9.858 18.922 ( 7.716 -1.731 0.448) 7.920 19.388 ( 8.543 -1.745 23.829) 25.374 20.041 ( 0.700 -5.525 -1.450) 5.755 20.142 ( -4.710 1.496 1.109) 5.065 20.435 ( -16.255 0.100 -3.711) 16.673 20.497 ( -2.979 4.974 -3.341) 6.692 20.913 ( -6.922 0.748 0.803) 7.008 21.078 ( -5.972 1.794 2.224) 6.621 21.176 ( -2.432 -2.600 -1.494) 3.861 21.390 ( -1.404 4.481 0.820) 4.767 21.496 ( 3.391 0.455 0.018) 3.421 21.522 ( 4.405 0.884 2.854) 5.322 21.811 ( -1.996 3.853 0.630) 4.384 21.944 ( -1.452 0.988 2.733) 3.249 22.002 ( -4.163 1.160 4.262) 6.069 22.128 ( 6.027 1.454 -18.968) 19.956 22.335 ( -5.475 -1.620 0.636) 5.745 22.616 ( 5.822 -0.863 -0.046) 5.886 22.670 ( -3.836 0.240 -11.857) 12.464 23.054 ( 1.073 1.855 -6.959) 7.281 23.352 ( 0.338 -1.141 6.599) 6.706 23.459 ( -0.630 -1.398 2.151) 2.641 23.817 ( 9.821 0.351 6.318) 11.683 24.122 ( -3.459 -0.799 17.930) 18.278 24.877 ( 9.493 1.247 -4.685) 10.660 25.311 ( 1.539 -0.841 -1.215) 2.134 25.365 ( 0.492 -0.390 1.394) 1.529 25.388 ( 0.168 -1.650 1.625) 2.322 25.528 ( 1.980 -1.114 -0.619) 2.355 25.765 ( -2.574 -0.590 0.536) 2.694 25.944 ( 0.047 0.337 3.348) 3.365 26.178 ( -1.250 2.609 -1.499) 3.258 26.240 ( -2.322 -0.042 -0.008) 2.322 26.482 ( -3.236 0.221 -8.408) 9.012 26.697 ( -3.364 0.963 1.140) 3.680 26.732 ( -3.545 0.982 -0.677) 3.740 27.202 ( -0.673 1.882 -2.327) 3.068 27.229 ( -1.327 0.532 -2.793) 3.138 27.316 ( 0.941 2.279 -0.242) 2.477 27.378 ( -1.008 -1.034 0.635) 1.577 27.530 ( 1.188 -0.117 3.576) 3.770 27.655 ( -1.067 0.062 -1.780) 2.076 27.789 ( -0.358 0.072 1.396) 1.443 27.862 ( -3.763 -2.075 1.332) 4.499 28.673 ( 6.642 -0.016 0.577) 6.667 28.784 ( 2.195 0.464 -0.953) 2.438 29.283 ( -4.642 1.001 2.132) 5.205 29.520 ( -7.625 0.619 -1.523) 7.800 ======================= Grid point 88 (29/100) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.454 ( 31.777 -21.434 12.939) 40.455 4.794 ( 25.925 -3.366 1.740) 26.200 4.938 ( 36.155 -15.528 14.773) 42.030 5.257 ( 1.083 -5.957 1.651) 6.276 5.538 ( 23.062 -5.116 13.725) 27.320 5.652 ( -3.513 1.008 -0.713) 3.724 6.843 ( 9.862 -2.899 -8.107) 13.091 7.154 ( 26.804 -12.686 22.410) 37.170 7.923 ( 43.610 -10.731 9.907) 45.991 8.118 ( -10.798 5.149 2.929) 12.316 8.355 ( -20.380 8.054 8.342) 23.448 8.655 ( 29.141 -18.302 -27.355) 43.959 9.024 ( 5.704 -6.014 -4.745) 9.551 9.606 ( -1.896 -2.371 -0.949) 3.180 9.757 ( 8.994 -7.882 1.627) 12.069 10.075 ( 5.939 -2.764 0.081) 6.551 10.292 ( 2.111 -3.427 -4.447) 5.997 10.549 ( 1.396 2.634 -2.724) 4.039 10.848 ( 5.369 2.354 -1.742) 6.116 10.991 ( 11.365 7.956 -4.457) 14.572 11.406 ( 9.515 0.947 -7.609) 12.220 11.530 ( 9.241 -9.370 -2.836) 13.462 11.666 ( 8.533 -3.685 -7.161) 11.733 11.902 ( 11.754 -0.291 -8.221) 14.347 12.098 ( -19.151 -5.915 -10.661) 22.702 12.378 ( 8.854 -7.395 -11.995) 16.642 12.551 ( -1.130 -16.478 -0.714) 16.532 12.620 ( -12.769 6.142 -5.748) 15.291 13.036 ( -23.607 20.252 14.500) 34.318 13.372 ( -10.796 7.173 13.678) 18.844 13.904 ( -12.898 4.407 9.504) 16.616 14.299 ( -17.645 3.978 19.720) 26.760 14.867 ( 9.078 0.300 -8.744) 12.608 15.265 ( -1.112 6.622 -5.131) 8.451 15.457 ( -1.017 -3.381 7.085) 7.916 15.577 ( 0.996 3.583 13.487) 13.990 16.215 ( 3.998 -0.093 -10.564) 11.296 16.358 ( -2.997 -2.540 -16.837) 17.289 16.552 ( 3.336 -1.919 2.201) 4.433 16.763 ( -0.869 9.055 5.249) 10.502 16.875 ( 0.297 3.054 0.225) 3.077 17.081 ( -5.318 5.490 0.982) 7.706 17.212 ( -6.507 -2.082 1.993) 7.116 17.501 ( -6.233 -3.796 3.651) 8.160 17.612 ( -5.978 -2.577 5.002) 8.210 18.003 ( -6.168 -1.519 -3.476) 7.242 18.359 ( 13.899 -2.714 -14.087) 19.975 18.863 ( 0.405 2.699 -14.989) 15.235 19.102 ( 9.543 -2.743 -1.626) 10.062 19.596 ( 11.701 -1.527 24.586) 27.271 19.944 ( -14.523 3.155 -10.625) 18.269 20.102 ( 0.058 -2.570 -1.323) 2.891 20.198 ( -9.391 -3.913 2.495) 10.475 20.377 ( -2.998 6.777 -3.529) 8.207 20.779 ( -6.022 0.959 2.274) 6.508 20.913 ( -8.597 1.500 5.485) 10.307 21.202 ( 1.080 -2.960 0.308) 3.166 21.336 ( 0.339 4.208 1.959) 4.654 21.547 ( 2.150 0.083 2.204) 3.080 21.591 ( 2.841 1.326 2.935) 4.294 21.747 ( -0.094 2.899 1.503) 3.267 21.880 ( -3.694 1.405 4.978) 6.356 21.946 ( -0.796 0.419 3.088) 3.217 22.139 ( -4.246 0.903 -7.838) 8.959 22.317 ( 2.752 -1.744 -8.303) 8.919 22.597 ( -3.687 0.808 -12.119) 12.693 22.738 ( 5.967 -1.266 0.561) 6.126 23.022 ( -1.674 2.468 -2.195) 3.703 23.386 ( 1.633 -0.821 4.843) 5.176 23.454 ( -1.106 -0.747 6.001) 6.148 23.979 ( 8.250 0.935 5.336) 9.869 24.104 ( -0.825 -2.596 11.226) 11.552 25.030 ( 8.767 1.703 -4.670) 10.078 25.335 ( -3.816 -1.657 -0.100) 4.162 25.353 ( 1.961 -0.862 -1.943) 2.892 25.426 ( 1.431 -0.396 0.704) 1.643 25.580 ( 2.573 -0.702 -1.145) 2.903 25.722 ( -2.679 -0.446 -0.761) 2.820 25.946 ( 0.772 0.392 2.938) 3.063 26.108 ( -3.269 2.171 -1.915) 4.367 26.219 ( 0.286 0.615 1.278) 1.447 26.397 ( -5.876 -0.674 -4.131) 7.214 26.641 ( -1.563 1.150 0.644) 2.045 26.664 ( -2.634 0.872 0.217) 2.783 27.173 ( -0.318 1.793 -2.324) 2.952 27.192 ( -2.243 -0.256 -2.677) 3.502 27.315 ( 1.562 2.273 0.823) 2.878 27.365 ( -1.307 -0.476 0.282) 1.419 27.561 ( 1.494 -0.695 1.425) 2.178 27.632 ( -1.162 0.087 -1.732) 2.088 27.781 ( 0.054 0.967 1.246) 1.578 27.816 ( -3.597 -2.467 1.557) 4.631 28.813 ( 8.568 0.143 -0.197) 8.572 28.836 ( 3.969 0.265 -0.378) 3.996 29.172 ( -6.058 1.083 1.676) 6.379 29.354 ( -9.645 0.386 -1.173) 9.724 ======================= Grid point 89 (30/100) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.902 ( 13.060 -1.262 3.456) 13.568 5.086 ( -7.100 -1.910 3.017) 7.947 5.203 ( 14.769 -0.284 -0.918) 14.801 5.446 ( -10.663 1.175 -2.933) 11.121 5.913 ( 33.108 -22.513 5.809) 40.456 6.396 ( 37.916 -17.629 20.801) 46.702 6.636 ( -13.467 18.163 1.983) 22.698 7.190 ( -22.560 3.092 12.545) 25.998 7.861 ( -5.303 7.720 1.100) 9.430 7.918 ( -12.481 0.375 5.354) 13.587 9.103 ( 26.763 -4.113 -3.452) 27.297 9.144 ( 6.038 -7.602 -7.325) 12.162 9.447 ( 33.089 -13.264 -14.238) 38.387 9.723 ( 18.563 -9.358 3.272) 21.045 9.927 ( 5.574 -3.584 0.414) 6.640 10.135 ( 1.553 -2.020 -9.527) 9.862 10.261 ( -4.687 3.255 -9.213) 10.837 10.588 ( -9.463 -1.892 2.332) 9.928 10.804 ( -2.175 1.994 0.037) 2.951 10.965 ( -5.845 10.388 3.517) 12.427 11.435 ( -9.030 -9.674 -6.345) 14.676 11.509 ( -10.168 17.950 -2.913) 20.835 11.718 ( 2.135 -8.626 -7.398) 11.563 11.791 ( 2.030 7.868 -9.068) 12.176 12.168 ( -6.698 3.494 2.036) 7.824 12.199 ( -11.068 -3.894 -3.714) 12.307 12.699 ( 10.354 -13.157 2.572) 16.939 12.877 ( 21.585 -0.753 2.495) 21.742 12.938 ( 4.504 -5.251 -2.354) 7.307 13.148 ( 1.480 7.087 7.854) 10.681 13.597 ( -9.813 3.736 16.225) 19.326 13.867 ( -23.815 5.527 20.867) 32.142 15.011 ( 6.492 -1.198 -7.372) 9.896 15.145 ( -5.102 4.378 -4.852) 8.291 15.494 ( 0.514 -4.381 7.835) 8.992 15.548 ( 0.359 4.957 10.826) 11.912 16.276 ( 2.622 0.123 -13.659) 13.909 16.322 ( -3.252 -1.395 -15.260) 15.665 16.617 ( -1.557 -3.025 1.302) 3.643 16.644 ( -0.100 8.335 1.117) 8.410 16.821 ( 4.107 0.677 -0.401) 4.181 16.954 ( -5.704 3.388 2.353) 7.039 17.248 ( 3.572 -3.579 -0.926) 5.140 17.373 ( -8.332 -0.629 -0.090) 8.356 17.676 ( 6.934 -3.648 9.076) 11.990 17.860 ( -9.152 1.318 2.700) 9.632 18.622 ( 11.150 -2.555 -19.327) 22.458 18.797 ( -5.265 2.048 -18.622) 19.460 19.330 ( 12.142 -3.409 -6.420) 14.151 19.617 ( -15.074 3.498 -10.239) 18.556 19.824 ( 9.997 -1.547 16.320) 19.200 20.004 ( -7.497 2.375 6.619) 10.279 20.204 ( -0.986 -8.060 -1.144) 8.200 20.273 ( -0.416 7.186 -2.247) 7.541 20.705 ( -0.531 0.355 5.532) 5.569 20.762 ( -6.017 0.737 8.050) 10.077 21.260 ( 1.737 -2.771 1.376) 3.549 21.307 ( -0.094 2.966 2.089) 3.629 21.563 ( 1.444 2.071 4.091) 4.807 21.583 ( -2.030 -0.491 2.899) 3.573 21.765 ( 3.038 0.857 3.259) 4.537 21.813 ( -2.902 -0.228 5.139) 5.906 21.956 ( 2.937 1.060 0.966) 3.268 22.032 ( -5.979 -0.612 -0.993) 6.091 22.412 ( 4.955 -1.386 -12.821) 13.815 22.513 ( -4.387 1.323 -12.938) 13.725 22.854 ( 4.890 -1.815 1.244) 5.362 22.951 ( -3.372 2.311 0.560) 4.127 23.418 ( 1.275 -0.153 5.064) 5.224 23.438 ( -1.102 -0.265 6.282) 6.384 24.087 ( 4.927 2.060 5.385) 7.584 24.118 ( -1.559 -3.021 7.011) 7.792 25.161 ( 7.488 1.965 -3.559) 8.520 25.263 ( -5.853 -1.902 -1.754) 6.399 25.400 ( 1.998 -0.782 -2.140) 3.031 25.433 ( -0.757 0.273 -1.319) 1.545 25.632 ( 2.523 -0.260 -1.223) 2.816 25.678 ( -2.422 -0.083 -1.193) 2.701 25.971 ( 2.318 0.095 1.498) 2.762 26.029 ( -3.453 0.873 -0.449) 3.590 26.238 ( 2.870 1.247 1.013) 3.289 26.300 ( -5.316 -1.285 -0.602) 5.503 26.616 ( -0.266 0.540 0.265) 0.658 26.623 ( -1.159 0.356 0.388) 1.273 27.157 ( 0.412 1.374 -2.090) 2.535 27.163 ( -1.462 -0.881 -2.115) 2.718 27.325 ( 1.856 1.871 0.622) 2.708 27.343 ( -1.755 -1.097 0.430) 2.114 27.591 ( 1.017 -0.597 -0.297) 1.216 27.612 ( -0.854 0.323 -1.270) 1.564 27.775 ( 0.991 1.748 1.358) 2.425 27.785 ( -2.382 -2.298 1.546) 3.653 28.924 ( 5.517 -0.213 0.160) 5.523 28.974 ( 8.136 0.217 -1.053) 8.207 29.052 ( -4.784 0.747 1.456) 5.056 29.169 ( -10.152 0.005 -0.735) 10.179 ======================= Grid point 95 (31/100) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.946 ( 59.679 -0.000 36.159) 69.778 3.485 ( 63.547 -0.000 40.492) 75.351 4.523 ( 14.820 -0.000 0.729) 14.838 4.759 ( 66.005 -0.000 47.323) 81.217 5.366 ( 2.950 -0.000 8.377) 8.882 5.500 ( 31.868 -0.000 -9.147) 33.154 5.795 ( -4.608 0.000 -3.206) 5.614 6.839 ( 16.469 -0.000 -32.151) 36.123 7.551 ( 34.816 -0.000 -33.438) 48.273 7.750 ( 4.134 -0.000 17.350) 17.836 8.391 ( -4.778 0.000 9.557) 10.685 8.568 ( 5.906 -0.000 -1.802) 6.175 8.920 ( -17.586 0.000 11.594) 21.064 9.474 ( 5.874 -0.000 10.870) 12.355 9.475 ( 8.403 -0.000 -10.259) 13.261 10.021 ( 1.991 -0.000 9.203) 9.416 10.164 ( 3.561 -0.000 -3.538) 5.019 10.360 ( 24.977 -0.000 -11.652) 27.561 10.642 ( 32.147 -0.000 -0.274) 32.148 10.701 ( 2.020 -0.000 -3.870) 4.366 11.121 ( 1.925 -0.000 2.456) 3.121 11.229 ( 2.778 -0.000 -10.041) 10.418 11.690 ( 21.973 -0.000 -21.257) 30.572 11.707 ( 2.471 -0.000 -4.499) 5.132 12.176 ( -15.116 0.000 -19.105) 24.361 12.371 ( -17.030 0.000 2.459) 17.207 12.431 ( -15.269 0.000 -13.851) 20.615 12.960 ( -11.304 0.000 -14.882) 18.688 13.710 ( -12.709 0.000 22.737) 26.048 13.972 ( -1.733 0.000 9.588) 9.744 13.988 ( -18.585 0.000 4.125) 19.038 14.644 ( -12.517 0.000 13.631) 18.506 14.713 ( 8.801 -0.000 -3.504) 9.473 15.367 ( 1.647 -0.000 -9.449) 9.592 15.473 ( -4.025 0.000 7.097) 8.159 15.570 ( 5.329 -0.000 12.658) 13.735 16.165 ( -0.926 0.000 -10.060) 10.103 16.361 ( -4.010 0.000 -13.381) 13.969 16.473 ( -1.448 0.000 8.586) 8.707 16.707 ( 11.583 -0.000 11.454) 16.290 16.855 ( 3.986 -0.000 11.865) 12.517 17.367 ( -4.270 0.000 2.284) 4.842 17.527 ( -18.035 0.000 -5.831) 18.955 17.577 ( -6.749 0.000 0.291) 6.756 17.721 ( -13.319 0.000 0.259) 13.321 18.036 ( -3.426 0.000 -7.681) 8.411 18.060 ( 14.066 -0.000 -2.739) 14.330 18.884 ( 5.360 -0.000 -14.245) 15.220 18.887 ( 7.206 -0.000 6.208) 9.511 19.369 ( 8.998 -0.000 24.676) 26.266 19.976 ( 0.899 -0.000 -0.777) 1.189 20.157 ( -4.047 0.000 1.778) 4.421 20.439 ( -16.684 0.000 -3.042) 16.959 20.551 ( -2.433 0.000 -3.340) 4.133 20.921 ( -6.739 0.000 0.777) 6.784 21.114 ( 0.523 -0.000 1.797) 1.871 21.128 ( -9.455 0.000 -1.430) 9.563 21.456 ( -1.646 0.000 -1.011) 1.931 21.482 ( 1.118 -0.000 0.559) 1.250 21.533 ( 5.332 -0.000 2.318) 5.814 21.862 ( -1.318 0.000 0.335) 1.360 21.939 ( -2.107 0.000 2.246) 3.079 22.021 ( -5.560 0.000 4.495) 7.150 22.144 ( 7.052 -0.000 -18.481) 19.781 22.316 ( -6.359 0.000 1.126) 6.458 22.608 ( 6.023 -0.000 -0.418) 6.037 22.672 ( -3.807 0.000 -11.189) 11.819 23.074 ( 1.514 -0.000 -7.913) 8.057 23.340 ( 0.283 -0.000 5.726) 5.733 23.441 ( -0.252 0.000 1.142) 1.169 23.823 ( 10.051 -0.000 6.904) 12.194 24.114 ( -4.301 0.000 18.894) 19.378 24.891 ( 9.529 -0.000 -5.364) 10.935 25.301 ( 1.533 -0.000 -1.036) 1.850 25.360 ( -1.745 0.000 2.251) 2.848 25.373 ( 2.972 -0.000 2.324) 3.773 25.515 ( 2.278 -0.000 -0.386) 2.311 25.759 ( -2.509 0.000 -0.213) 2.518 25.949 ( 0.165 -0.000 4.280) 4.283 26.213 ( 0.153 -0.000 -0.184) 0.239 26.232 ( -3.934 0.000 -1.944) 4.388 26.484 ( -3.715 0.000 -8.322) 9.114 26.707 ( -3.328 0.000 1.515) 3.657 26.743 ( -3.854 0.000 -1.274) 4.059 27.226 ( -2.163 0.000 -2.994) 3.694 27.229 ( -0.764 0.000 -2.740) 2.845 27.353 ( 1.532 -0.000 -1.642) 2.246 27.356 ( -0.884 0.000 2.252) 2.419 27.528 ( 0.537 -0.000 3.567) 3.607 27.656 ( -1.157 0.000 -2.341) 2.611 27.788 ( 0.065 -0.000 1.674) 1.675 27.841 ( -3.650 0.000 2.081) 4.201 28.673 ( 6.726 -0.000 0.577) 6.750 28.789 ( 2.061 -0.000 -1.005) 2.293 29.293 ( -4.723 0.000 2.097) 5.167 29.526 ( -7.819 0.000 -1.501) 7.962 ======================= Grid point 96 (32/100) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.095 ( 54.358 -9.871 21.242) 59.190 4.618 ( 51.082 -7.630 19.963) 55.373 4.843 ( 21.967 0.574 4.359) 22.403 5.180 ( -0.919 -2.205 0.424) 2.426 5.524 ( 15.214 0.848 10.700) 18.619 5.678 ( -7.535 0.807 -2.642) 8.026 6.574 ( 49.741 -11.615 20.209) 54.932 7.220 ( 27.641 7.788 -10.319) 30.515 7.874 ( 21.565 5.001 6.958) 23.205 8.215 ( 5.010 -1.059 2.551) 5.721 8.279 ( 17.956 -9.934 -12.982) 24.282 8.491 ( -22.571 1.541 4.911) 23.151 8.867 ( 15.582 -7.006 -6.873) 18.415 9.588 ( 4.313 -0.052 2.980) 5.242 9.646 ( 9.032 -1.823 -5.004) 10.486 10.069 ( 5.373 1.081 5.309) 7.631 10.216 ( 0.827 -3.027 -2.878) 4.258 10.572 ( -0.321 0.040 -12.057) 12.061 10.884 ( 8.635 1.993 -5.293) 10.323 11.114 ( 11.709 -0.201 -7.730) 14.032 11.232 ( 0.556 -5.115 -6.380) 8.196 11.342 ( 15.031 -8.072 -2.711) 17.275 11.731 ( 6.385 6.595 -2.250) 9.451 11.910 ( -12.660 -4.162 -3.802) 13.859 12.035 ( -0.178 3.157 -11.139) 11.579 12.262 ( 13.740 -2.711 -7.051) 15.680 12.305 ( 5.222 -8.538 -14.246) 17.410 12.695 ( -16.132 1.470 -8.625) 18.352 13.445 ( -26.075 15.149 13.367) 32.986 13.492 ( -9.919 4.316 23.647) 26.004 13.907 ( -10.583 -3.797 10.732) 15.543 14.329 ( -20.633 0.049 20.488) 29.077 14.876 ( 8.381 0.467 -7.842) 11.487 15.365 ( -6.115 1.689 4.030) 7.516 15.392 ( 0.494 -1.071 -2.160) 2.461 15.661 ( 5.224 3.225 10.398) 12.075 16.168 ( -1.257 -3.331 -14.712) 15.137 16.323 ( -0.127 -0.111 -15.580) 15.581 16.529 ( 5.881 -0.727 3.107) 6.691 16.895 ( 1.480 3.303 9.215) 9.900 16.917 ( 9.083 0.744 5.933) 10.874 17.160 ( -14.658 2.975 -1.368) 15.019 17.265 ( -8.568 3.481 -3.949) 10.056 17.436 ( -6.762 0.003 6.308) 9.247 17.528 ( -8.572 -5.703 3.286) 10.808 17.964 ( -5.470 -1.586 -3.707) 6.795 18.325 ( 14.175 -0.692 -13.710) 19.732 18.921 ( 0.099 2.362 -16.591) 16.759 19.052 ( 9.286 -1.880 -0.463) 9.486 19.573 ( 12.110 -0.607 25.906) 28.603 19.987 ( -14.989 1.030 -9.996) 18.046 20.009 ( 0.487 -3.403 -0.971) 3.572 20.189 ( -8.462 0.534 4.088) 9.413 20.485 ( -2.682 3.162 -4.526) 6.138 20.797 ( -5.730 0.582 2.558) 6.302 20.944 ( -9.064 1.167 3.474) 9.777 21.140 ( 0.909 -2.234 2.293) 3.328 21.420 ( -0.270 3.344 0.697) 3.427 21.526 ( 2.018 -1.678 0.557) 2.683 21.614 ( 3.409 0.645 2.450) 4.247 21.813 ( -1.959 3.133 1.169) 3.876 21.899 ( -4.528 0.450 4.236) 6.217 21.927 ( -2.201 -1.863 3.678) 4.674 22.147 ( -7.466 -0.048 -3.216) 8.129 22.294 ( 4.863 -0.414 -11.115) 12.139 22.606 ( -3.490 0.193 -11.571) 12.087 22.721 ( 5.885 -0.413 0.162) 5.901 23.062 ( -1.794 1.189 -3.306) 3.945 23.372 ( 2.281 -0.431 3.499) 4.199 23.438 ( -0.551 -0.576 5.511) 5.569 23.997 ( 8.898 0.582 5.678) 10.571 24.065 ( -1.640 -1.067 12.759) 12.908 25.057 ( 8.927 0.745 -6.625) 11.141 25.310 ( -3.356 -0.648 2.341) 4.142 25.340 ( 1.661 -0.356 -1.419) 2.213 25.421 ( 1.926 -0.100 0.681) 2.046 25.567 ( 2.969 -0.417 -0.509) 3.041 25.715 ( -2.375 -0.206 -2.219) 3.257 25.956 ( 1.009 0.366 5.111) 5.222 26.145 ( -4.584 1.109 -1.860) 5.070 26.224 ( 1.005 0.019 -0.495) 1.120 26.386 ( -6.623 -0.342 -3.864) 7.676 26.659 ( -1.814 0.512 1.131) 2.199 26.676 ( -3.127 0.263 -0.457) 3.171 27.174 ( -3.214 -0.432 -2.082) 3.853 27.213 ( -0.442 0.995 -3.518) 3.683 27.348 ( 0.394 0.752 0.842) 1.196 27.361 ( -0.748 0.153 0.158) 0.780 27.550 ( 1.675 -0.275 1.302) 2.139 27.632 ( -1.308 -0.144 -2.218) 2.579 27.779 ( -3.305 -0.834 2.817) 4.422 27.796 ( 0.710 0.281 1.306) 1.513 28.815 ( 8.617 0.044 -0.250) 8.621 28.840 ( 3.622 0.088 -0.439) 3.650 29.189 ( -6.307 0.441 1.593) 6.520 29.359 ( -10.060 0.121 -1.101) 10.120 ======================= Grid point 97 (33/100) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.856 ( 21.126 -2.269 4.990) 21.826 5.049 ( -6.763 -1.763 5.920) 9.160 5.224 ( 18.008 2.663 -3.041) 18.456 5.465 ( -6.058 -0.175 -3.437) 6.968 5.617 ( 36.217 -7.772 8.178) 37.933 6.113 ( 42.339 -9.336 21.526) 48.405 7.067 ( 9.137 11.174 -3.933) 14.960 7.247 ( -7.759 14.545 13.287) 21.173 7.949 ( -24.898 3.964 6.690) 26.084 8.021 ( -4.564 3.758 7.960) 9.916 8.829 ( 10.702 -21.532 -12.615) 27.153 8.965 ( 62.106 -6.939 6.587) 62.839 9.309 ( 23.541 -1.058 -15.660) 28.293 9.632 ( 8.900 0.815 -1.404) 9.047 9.830 ( 6.607 -5.216 -0.600) 8.440 10.140 ( -0.747 2.386 -4.017) 4.732 10.280 ( 3.959 -2.617 -7.794) 9.125 10.510 ( -9.385 -3.342 -3.104) 10.435 10.837 ( -6.827 1.324 -1.733) 7.167 11.142 ( -3.570 5.416 -1.465) 6.651 11.205 ( -16.231 -14.158 -17.135) 27.523 11.448 ( -8.034 -6.119 -7.364) 12.499 11.716 ( -5.634 -2.810 -1.266) 6.422 11.983 ( 11.964 -0.807 -2.116) 12.176 12.086 ( 6.051 4.624 -2.271) 7.947 12.309 ( -16.638 8.954 0.139) 18.895 12.484 ( 10.013 -6.972 2.734) 12.503 12.834 ( 22.920 -3.305 -9.810) 25.149 12.901 ( -4.812 4.734 10.750) 12.694 13.378 ( 3.706 6.355 18.536) 19.942 13.649 ( -17.291 4.330 10.542) 20.709 13.927 ( -22.119 -0.039 21.138) 30.595 14.991 ( 4.259 -0.497 -8.599) 9.609 15.212 ( -8.435 1.818 1.157) 8.706 15.420 ( 0.410 -2.676 3.329) 4.290 15.677 ( 2.352 7.102 7.681) 10.723 16.179 ( -2.900 -6.512 -15.444) 17.010 16.352 ( 3.410 1.618 -15.139) 15.603 16.598 ( -1.779 0.715 3.217) 3.745 16.810 ( -3.833 5.372 3.959) 7.696 16.862 ( -2.551 3.605 -0.168) 4.419 17.042 ( -8.263 6.587 -0.520) 10.581 17.164 ( 6.863 -4.261 0.919) 8.131 17.337 ( -5.657 -3.306 -1.032) 6.632 17.584 ( 7.371 -4.791 9.502) 12.945 17.860 ( -7.509 -1.029 1.563) 7.739 18.580 ( 11.924 -1.424 -19.079) 22.543 18.845 ( -5.445 2.432 -19.798) 20.677 19.265 ( 11.619 -2.749 -5.531) 13.159 19.676 ( -14.814 2.249 -9.486) 17.734 19.791 ( 8.991 -1.307 17.134) 19.394 20.019 ( -7.345 -3.104 6.555) 10.322 20.086 ( -0.219 -1.184 1.248) 1.734 20.409 ( -0.308 5.543 -4.522) 7.160 20.727 ( -0.267 1.363 6.226) 6.379 20.792 ( -5.474 1.850 6.752) 8.887 21.191 ( 1.267 -3.464 3.384) 5.005 21.377 ( -0.758 3.459 1.037) 3.690 21.553 ( -1.525 -0.424 0.014) 1.583 21.631 ( 0.457 1.705 4.061) 4.428 21.767 ( -1.272 -0.721 3.814) 4.085 21.815 ( -2.119 1.541 4.236) 4.981 21.949 ( 1.593 -1.939 1.628) 2.991 22.009 ( -7.403 -1.448 0.793) 7.585 22.390 ( 4.768 -0.618 -13.081) 13.937 22.532 ( -4.289 0.599 -12.722) 13.439 22.825 ( 4.573 -1.027 1.059) 4.805 22.995 ( -3.684 1.834 -0.163) 4.118 23.414 ( 1.826 -0.153 3.722) 4.148 23.431 ( -0.828 -0.443 7.154) 7.215 24.063 ( -0.969 -2.126 7.659) 8.007 24.124 ( 5.841 1.452 5.253) 7.988 25.199 ( 7.795 1.617 -6.536) 10.300 25.233 ( -5.643 -0.999 1.494) 5.923 25.382 ( 1.953 -0.837 -2.294) 3.127 25.436 ( -0.349 0.064 -1.019) 1.079 25.626 ( 2.897 -0.314 -0.285) 2.928 25.675 ( -2.209 -0.150 -3.001) 3.729 25.982 ( 2.437 0.802 4.390) 5.085 26.050 ( -4.254 0.984 -1.178) 4.522 26.254 ( 1.977 0.431 -0.790) 2.172 26.275 ( -5.051 -1.092 -0.127) 5.169 26.625 ( -1.403 0.329 -0.025) 1.441 26.629 ( -1.637 0.245 0.713) 1.802 27.130 ( -2.272 -1.221 -0.961) 2.752 27.196 ( 0.036 1.376 -3.813) 4.054 27.330 ( -1.968 0.015 0.487) 2.027 27.354 ( 0.604 0.560 0.509) 0.968 27.583 ( 1.446 0.043 -0.443) 1.513 27.618 ( -0.242 0.027 -1.252) 1.276 27.739 ( -2.316 -1.768 2.777) 4.025 27.810 ( 1.671 1.261 0.871) 2.267 28.920 ( 5.031 -0.144 0.173) 5.036 28.977 ( 8.298 0.085 -1.134) 8.375 29.065 ( -5.591 0.505 1.345) 5.772 29.168 ( -10.583 -0.104 -0.629) 10.602 ======================= Grid point 98 (34/100) ======================= q-point: (-0.56 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.895 ( -10.802 -1.445 3.250) 11.372 5.124 ( 8.486 1.605 1.333) 8.739 5.221 ( -13.197 1.190 -1.223) 13.307 5.431 ( 8.878 -0.225 -3.333) 9.486 6.406 ( 31.952 -3.008 7.346) 32.923 6.503 ( -20.479 29.321 4.090) 35.998 6.810 ( -25.479 23.047 15.421) 37.658 7.084 ( 35.144 -3.794 13.779) 37.938 7.717 ( -0.975 -6.615 -0.736) 6.727 7.984 ( 6.838 4.938 8.829) 12.210 9.048 ( -9.826 -11.138 -5.264) 15.758 9.250 ( -4.414 6.241 -10.672) 13.127 9.662 ( -10.093 5.181 -5.808) 12.745 9.919 ( 7.231 9.479 -14.065) 18.438 10.009 ( -25.716 -4.611 6.895) 27.021 10.086 ( -7.115 2.327 -13.567) 15.495 10.314 ( 7.885 6.239 -6.393) 11.915 10.458 ( 32.015 -13.066 2.739) 34.687 10.757 ( -4.200 -5.421 1.993) 7.142 10.925 ( -7.042 10.795 7.229) 14.777 11.084 ( -6.577 -20.615 -9.820) 23.762 11.436 ( -6.069 -14.937 0.625) 16.135 11.640 ( 3.101 8.101 -4.732) 9.881 12.020 ( -1.835 5.500 -8.912) 10.632 12.051 ( -0.339 -4.902 4.958) 6.980 12.240 ( 17.789 4.001 -0.045) 18.233 12.778 ( 3.935 -6.375 3.823) 8.411 12.878 ( -7.728 4.239 1.806) 8.997 13.011 ( -2.251 3.988 -3.931) 6.035 13.297 ( -21.006 0.873 15.226) 25.959 13.479 ( 12.199 0.026 7.767) 14.462 13.789 ( 17.395 1.332 15.545) 23.367 15.030 ( -8.715 0.407 -3.099) 9.258 15.063 ( 1.241 -2.900 -7.717) 8.337 15.453 ( -0.834 -3.809 10.381) 11.089 15.623 ( 0.896 7.617 5.371) 9.363 16.197 ( -1.898 -5.560 -15.026) 16.134 16.385 ( 1.945 2.352 -11.811) 12.199 16.526 ( -3.560 -2.623 1.134) 4.565 16.686 ( -5.883 1.617 3.011) 6.804 16.849 ( -2.841 3.629 -0.361) 4.623 16.887 ( 1.939 -1.862 0.506) 2.735 17.297 ( 1.006 0.910 -3.251) 3.523 17.370 ( 10.365 -0.901 1.169) 10.470 17.720 ( -6.917 0.749 8.074) 10.658 17.812 ( 11.243 -2.996 3.674) 12.201 18.675 ( -10.176 2.517 -20.376) 22.915 18.765 ( 5.954 -1.158 -18.458) 19.429 19.397 ( -12.260 3.057 -6.491) 14.205 19.540 ( 14.500 -3.857 -10.008) 18.035 19.836 ( -9.933 -0.424 15.982) 18.822 19.965 ( 5.782 -1.423 7.824) 9.832 20.141 ( 1.184 -5.328 -0.023) 5.458 20.364 ( 2.194 7.162 -3.314) 8.191 20.723 ( 0.629 2.077 4.776) 5.246 20.768 ( 5.795 1.201 8.938) 10.720 21.237 ( -0.784 -3.087 3.598) 4.805 21.323 ( -1.463 2.555 0.431) 2.975 21.505 ( -2.742 -1.897 3.505) 4.837 21.623 ( -0.394 1.037 2.951) 3.152 21.729 ( -4.505 -2.689 3.536) 6.327 21.816 ( 2.256 0.870 4.583) 5.182 21.919 ( -3.717 -2.261 1.618) 4.642 22.029 ( 4.836 -0.991 -1.003) 5.037 22.437 ( -5.103 0.863 -12.916) 13.914 22.482 ( 4.052 -1.539 -13.130) 13.827 22.893 ( -4.972 1.781 1.084) 5.391 22.909 ( 2.778 -1.623 1.057) 3.386 23.417 ( -0.972 -0.221 6.772) 6.845 23.443 ( 1.431 0.232 5.661) 5.844 24.048 ( -3.282 -1.642 5.048) 6.241 24.176 ( 2.038 2.499 6.062) 6.867 25.125 ( -7.375 -1.429 -0.208) 7.515 25.307 ( 5.941 2.260 -5.201) 8.213 25.410 ( -1.413 0.140 -1.989) 2.443 25.426 ( 1.228 -0.357 -1.801) 2.209 25.634 ( -2.534 -0.166 -3.001) 3.931 25.678 ( 2.747 0.002 -0.121) 2.749 25.979 ( -2.369 0.750 0.065) 2.486 26.023 ( 2.599 0.444 1.778) 3.181 26.204 ( -3.097 -2.037 2.669) 4.567 26.323 ( 4.958 0.875 -2.070) 5.443 26.606 ( -0.592 -0.408 -0.021) 0.719 26.615 ( 0.100 -0.382 0.760) 0.857 27.117 ( -0.951 -1.801 -0.460) 2.088 27.188 ( 0.278 0.731 -3.742) 3.822 27.295 ( -2.062 -0.716 0.554) 2.252 27.362 ( 0.968 0.506 0.328) 1.141 27.598 ( 0.132 0.322 -0.419) 0.545 27.615 ( 0.420 0.513 -0.377) 0.763 27.734 ( -0.445 -2.063 1.853) 2.808 27.833 ( 2.863 2.116 0.485) 3.593 28.928 ( -6.132 0.201 0.134) 6.137 28.969 ( -8.041 -0.278 -0.911) 8.098 29.037 ( 4.023 -0.671 1.509) 4.349 29.167 ( 9.694 -0.143 -0.845) 9.732 ======================= Grid point 99 (35/100) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.683 ( -13.011 1.256 2.395) 13.289 4.857 ( -21.519 2.758 -1.165) 21.726 5.252 ( 2.080 7.106 6.054) 9.564 5.569 ( -9.890 12.312 -0.053) 15.792 5.605 ( -19.415 16.293 7.476) 26.425 5.930 ( -31.692 30.797 17.019) 47.355 6.854 ( 13.341 4.426 -0.064) 14.056 7.490 ( -0.232 13.887 12.230) 18.507 7.935 ( 14.747 -10.663 -8.186) 19.955 8.239 ( 13.537 -1.683 10.583) 17.265 8.303 ( -46.566 18.192 17.728) 53.044 9.016 ( -28.115 13.540 -15.737) 34.949 9.131 ( -6.804 9.379 -12.255) 16.866 9.659 ( 1.313 2.626 -0.792) 3.041 9.858 ( -9.128 -0.010 -1.703) 9.286 10.173 ( 0.205 4.284 -5.887) 7.284 10.374 ( -4.043 6.293 0.485) 7.495 10.504 ( -0.957 1.203 0.726) 1.700 10.776 ( -5.557 -3.508 -4.973) 8.242 10.819 ( -7.271 -8.835 -1.663) 11.562 11.274 ( -15.229 -8.436 5.896) 18.381 11.484 ( 0.437 -17.706 -15.352) 23.439 11.737 ( 2.150 6.073 -10.046) 11.935 12.050 ( 3.803 8.641 4.590) 10.498 12.247 ( 8.791 5.323 -10.645) 14.797 12.410 ( -2.353 -4.945 -3.169) 6.327 12.487 ( 0.816 -3.537 9.050) 9.751 12.796 ( 9.402 -0.253 3.913) 10.186 12.949 ( 0.850 17.262 0.450) 17.289 13.243 ( 12.948 -5.017 -0.510) 13.895 13.772 ( 12.277 -6.650 6.902) 15.575 14.163 ( 14.860 -7.902 15.281) 22.733 14.859 ( -9.781 -0.603 -7.885) 12.578 15.131 ( 0.213 -5.959 -6.484) 8.809 15.451 ( -2.901 -3.031 13.141) 13.794 15.598 ( 3.638 4.876 8.134) 10.158 16.192 ( -4.708 -2.154 -8.894) 10.291 16.349 ( -3.331 -2.957 -11.036) 11.901 16.567 ( -0.515 -7.828 2.437) 8.215 16.619 ( 2.882 1.189 -1.969) 3.687 16.832 ( 0.290 -0.305 -1.185) 1.258 16.978 ( 4.878 -3.470 1.328) 6.132 17.311 ( 4.434 6.023 1.951) 7.729 17.552 ( 7.065 1.141 2.242) 7.500 17.641 ( 2.474 0.423 7.331) 7.749 18.016 ( 8.097 -0.083 -2.985) 8.630 18.425 ( -13.120 3.299 -15.446) 20.533 18.824 ( -0.371 -1.137 -15.133) 15.180 19.160 ( -10.450 2.868 -1.086) 10.891 19.626 ( -10.866 1.247 23.619) 26.029 19.862 ( 14.152 -4.718 -10.013) 17.967 20.092 ( 5.484 -1.572 -0.519) 5.728 20.238 ( 3.205 -6.185 -0.982) 7.035 20.347 ( 5.235 8.141 -2.033) 9.890 20.773 ( 5.885 0.735 1.958) 6.246 20.893 ( 7.890 -0.265 6.846) 10.449 21.223 ( -2.310 -1.684 0.837) 2.979 21.284 ( -0.978 0.142 1.577) 1.861 21.507 ( -1.498 -3.435 5.120) 6.345 21.576 ( -4.844 -0.828 2.125) 5.354 21.690 ( -1.893 -3.011 2.823) 4.540 21.849 ( 1.199 -1.188 2.587) 3.089 21.921 ( 1.526 -1.507 4.176) 4.695 22.121 ( 2.737 -0.720 -9.923) 10.318 22.348 ( -2.365 0.933 -7.477) 7.897 22.570 ( 3.579 -1.893 -12.876) 13.497 22.770 ( -6.109 1.738 0.901) 6.415 22.972 ( 1.557 -2.343 -0.825) 2.932 23.398 ( -1.135 0.226 6.878) 6.975 23.466 ( 1.561 0.528 7.175) 7.361 23.967 ( -6.434 -0.146 4.143) 7.654 24.161 ( -0.068 2.825 9.038) 9.470 24.994 ( -8.675 -1.722 -1.880) 9.042 25.366 ( 1.103 1.014 -3.488) 3.796 25.376 ( 0.032 1.401 -1.312) 1.919 25.442 ( 0.672 1.290 -0.352) 1.496 25.589 ( -2.241 0.043 -2.805) 3.590 25.729 ( 2.973 0.247 0.202) 2.990 25.948 ( -0.485 0.605 1.328) 1.537 26.068 ( 1.769 -1.534 -0.615) 2.421 26.197 ( 0.054 -1.610 3.178) 3.563 26.410 ( 4.843 0.546 -5.042) 7.013 26.617 ( 1.114 -1.125 0.545) 1.674 26.642 ( 1.979 -1.245 0.704) 2.442 27.129 ( 0.061 -2.128 -0.575) 2.205 27.191 ( -0.035 -0.770 -3.331) 3.419 27.273 ( -1.564 -1.533 0.167) 2.196 27.380 ( 1.743 0.980 0.384) 2.037 27.574 ( -1.879 0.466 1.720) 2.590 27.633 ( 1.538 0.290 -1.165) 1.951 27.756 ( 0.622 -1.428 1.285) 2.019 27.872 ( 3.964 2.741 0.149) 4.821 28.809 ( -8.401 -0.202 -0.122) 8.404 28.830 ( -4.549 -0.368 -0.284) 4.573 29.148 ( 5.665 -1.192 1.772) 6.055 29.344 ( 9.067 -0.561 -1.271) 9.173 ======================= Grid point 100 (36/100) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.162 ( -36.770 26.563 13.166) 47.233 4.312 ( -37.739 35.581 22.895) 56.696 4.520 ( -19.657 4.743 7.015) 21.404 5.143 ( -24.299 14.592 7.757) 29.386 5.389 ( 3.376 2.429 2.270) 4.738 5.707 ( 3.040 -3.160 -2.559) 5.077 6.401 ( -62.316 50.586 36.126) 88.019 6.892 ( -0.045 8.706 -14.596) 16.995 7.673 ( -4.295 5.744 3.447) 7.958 8.086 ( -28.844 13.649 -19.027) 37.152 8.446 ( 18.677 2.888 0.981) 18.924 8.770 ( 14.706 0.421 -4.548) 15.399 9.080 ( 6.815 2.467 1.251) 7.355 9.600 ( -15.927 2.852 5.862) 17.209 9.699 ( 1.644 4.117 1.295) 4.618 9.959 ( -14.066 9.698 0.375) 17.089 10.137 ( -13.339 -6.919 0.170) 15.027 10.503 ( -8.074 6.529 3.063) 10.826 10.677 ( -14.074 1.037 -2.183) 14.280 10.707 ( -1.453 -1.980 -3.469) 4.250 11.092 ( -10.656 -8.133 -3.588) 13.877 11.356 ( -12.245 2.050 2.807) 12.729 11.611 ( -8.187 14.894 -11.799) 20.690 11.778 ( -4.264 1.038 -15.210) 15.831 12.236 ( -0.909 -0.864 3.537) 3.753 12.644 ( 21.357 9.727 -21.193) 31.621 12.815 ( 14.477 -5.875 -9.296) 18.180 12.893 ( 11.668 12.902 -8.989) 19.580 13.246 ( 17.000 -16.309 5.589) 24.212 13.516 ( 11.368 -6.329 8.840) 15.730 14.040 ( 9.174 -8.142 3.997) 12.901 14.447 ( 6.039 -9.813 10.928) 15.880 14.681 ( -9.833 -0.507 -7.182) 12.187 15.177 ( -2.015 -6.428 -7.044) 9.746 15.437 ( -1.270 -2.245 10.190) 10.511 15.620 ( 1.624 2.944 10.250) 10.788 16.138 ( -0.008 -2.261 0.203) 2.270 16.383 ( 1.090 -5.398 -7.032) 8.931 16.585 ( 0.210 -0.613 -0.289) 0.709 16.724 ( 3.858 0.677 7.197) 8.194 16.782 ( -5.630 -0.316 -1.953) 5.967 17.142 ( 6.218 -6.848 1.457) 9.364 17.347 ( 4.628 0.967 7.824) 9.141 17.654 ( 9.069 1.529 -2.190) 9.454 17.783 ( 9.146 0.038 0.918) 9.192 18.028 ( -9.488 0.917 -2.224) 9.788 18.215 ( -1.335 4.974 -8.808) 10.203 18.797 ( -3.581 -1.772 -11.309) 11.994 18.957 ( -8.937 1.751 3.443) 9.736 19.434 ( -7.492 2.576 22.166) 23.539 20.092 ( 5.727 -2.789 1.080) 6.461 20.155 ( 2.148 3.807 -4.584) 6.334 20.374 ( 3.651 -6.395 -2.339) 7.726 20.458 ( 13.834 2.881 -4.689) 14.889 20.897 ( 7.009 -0.588 0.970) 7.100 21.043 ( 6.740 -1.647 3.130) 7.611 21.208 ( 0.030 -0.010 -1.940) 1.940 21.301 ( 1.095 -3.525 2.572) 4.499 21.472 ( -6.823 -1.598 1.535) 7.174 21.485 ( -4.282 -3.039 3.461) 6.289 21.731 ( 1.896 -3.782 2.913) 5.137 21.891 ( 0.864 -3.312 0.757) 3.505 21.982 ( 3.203 -1.042 5.326) 6.301 22.099 ( -5.222 -1.122 -20.616) 21.297 22.365 ( 4.069 0.974 -0.083) 4.185 22.639 ( -3.670 0.721 -1.620) 4.076 22.657 ( 1.725 -0.704 -11.132) 11.287 23.008 ( -0.384 -2.348 -4.791) 5.349 23.376 ( -0.363 0.826 8.804) 8.851 23.484 ( 1.080 1.041 5.391) 5.595 23.824 ( -8.215 1.299 4.054) 9.252 24.146 ( 1.619 1.516 15.254) 15.415 24.846 ( -9.377 -1.740 -3.017) 10.003 25.332 ( -1.377 1.227 -1.566) 2.419 25.374 ( -1.214 0.483 1.078) 1.694 25.436 ( 1.321 2.814 -1.259) 3.353 25.553 ( -1.106 1.184 -1.666) 2.324 25.779 ( 2.742 0.599 1.517) 3.191 25.942 ( 0.187 0.309 1.912) 1.945 26.119 ( 1.126 -3.028 -1.245) 3.462 26.229 ( 1.768 -1.091 1.695) 2.681 26.474 ( 1.988 -0.617 -8.756) 9.000 26.669 ( 2.846 -1.681 0.347) 3.323 26.709 ( 3.682 -1.188 0.637) 3.921 27.158 ( 0.556 -2.237 -1.071) 2.541 27.200 ( -0.673 -2.256 -1.843) 2.989 27.269 ( -1.009 -2.232 -1.359) 2.802 27.405 ( 2.508 1.790 0.429) 3.112 27.531 ( -2.325 -0.043 3.466) 4.174 27.657 ( 1.263 0.309 -1.248) 1.802 27.781 ( 0.807 -0.768 1.321) 1.728 27.917 ( 4.040 3.083 -0.044) 5.082 28.674 ( -6.337 0.095 0.548) 6.361 28.771 ( -2.577 -0.815 -0.795) 2.818 29.256 ( 4.430 -1.504 2.213) 5.176 29.503 ( 7.161 -1.012 -1.574) 7.401 ======================= Grid point 101 (37/100) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.990 ( -47.846 38.037 33.529) 69.716 3.182 ( -30.057 51.426 45.447) 74.923 4.274 ( -9.248 3.877 4.209) 10.875 4.592 ( -27.145 36.652 30.219) 54.712 4.815 ( -39.241 30.571 24.720) 55.547 5.423 ( 1.142 2.864 3.551) 4.703 5.795 ( 1.453 -3.261 -2.569) 4.398 6.766 ( -0.837 11.709 -28.153) 30.502 7.278 ( -22.789 15.579 -33.925) 43.737 7.734 ( -1.401 2.731 14.381) 14.705 8.619 ( 10.114 13.398 2.957) 17.045 8.928 ( 3.628 9.353 -5.082) 11.246 9.256 ( -6.632 2.701 -4.866) 8.658 9.323 ( 4.001 4.542 23.787) 24.545 9.473 ( -6.314 1.676 -1.288) 6.658 9.819 ( -2.181 -3.450 -3.911) 5.653 9.989 ( -9.733 -6.516 2.007) 11.884 10.135 ( -17.250 9.330 10.039) 22.032 10.384 ( -7.520 9.031 1.543) 11.853 10.770 ( 4.070 -1.402 -7.801) 8.910 11.003 ( -6.676 0.133 -10.420) 12.376 11.256 ( -3.588 -5.443 1.551) 6.701 11.294 ( -4.372 11.768 -7.255) 14.499 11.765 ( -1.442 -0.007 -19.405) 19.458 12.346 ( 6.727 -7.026 2.470) 10.036 12.780 ( 9.727 16.559 -27.221) 33.313 13.055 ( 15.562 6.848 -11.035) 20.269 13.068 ( 8.019 -2.522 -18.997) 20.774 13.591 ( 3.181 -15.231 8.237) 17.606 13.760 ( 5.540 -6.469 8.953) 12.357 14.259 ( 6.039 -3.239 -2.551) 7.312 14.514 ( -5.877 -4.775 -4.434) 8.775 14.635 ( 1.746 -9.693 8.400) 12.945 15.208 ( -1.393 -7.227 -7.211) 10.304 15.440 ( -0.239 -0.495 5.592) 5.619 15.593 ( -1.179 1.395 6.728) 6.972 16.228 ( 5.573 -0.504 6.508) 8.582 16.479 ( 4.006 -3.320 -2.319) 5.697 16.597 ( 0.013 1.935 5.177) 5.527 16.631 ( -5.201 1.073 7.413) 9.119 16.754 ( 1.923 5.529 8.211) 10.084 17.289 ( 1.265 -7.261 2.040) 7.647 17.491 ( 5.683 -8.865 2.627) 10.853 17.767 ( -8.064 -0.543 7.042) 10.720 17.849 ( 4.989 0.154 -1.200) 5.134 17.936 ( 6.683 -0.553 -3.042) 7.364 18.180 ( 1.140 5.654 -10.468) 11.952 18.742 ( -3.831 -1.094 -9.203) 10.028 18.808 ( -5.425 0.926 5.360) 7.682 19.307 ( -3.327 3.136 19.206) 19.743 20.099 ( 0.250 6.571 -1.423) 6.728 20.188 ( 1.977 -0.625 6.159) 6.499 20.483 ( 1.594 -5.618 -2.356) 6.297 20.694 ( 10.650 -0.174 -4.705) 11.644 21.016 ( 4.645 -0.454 0.841) 4.742 21.141 ( 2.731 0.284 1.868) 3.321 21.239 ( 2.421 -1.301 -3.195) 4.215 21.363 ( -4.262 -4.038 2.139) 6.249 21.390 ( 0.447 -4.017 0.563) 4.081 21.464 ( -0.949 -3.880 2.555) 4.742 21.810 ( 2.226 -3.660 0.072) 4.284 21.940 ( 0.416 -3.545 1.137) 3.746 21.973 ( -6.045 -0.030 -20.585) 21.454 22.070 ( 2.051 -1.875 2.630) 3.826 22.422 ( 2.137 0.338 -0.387) 2.198 22.544 ( -2.849 1.830 -0.607) 3.440 22.739 ( 3.979 -1.284 -13.669) 14.295 22.996 ( -2.880 -1.120 -8.218) 8.780 23.386 ( 2.694 0.699 9.992) 10.372 23.481 ( -0.137 0.956 2.282) 2.478 23.656 ( -7.777 2.341 3.806) 8.969 24.200 ( 4.469 -0.354 23.224) 23.653 24.696 ( -8.278 -1.387 -4.725) 9.632 25.299 ( -0.889 1.162 -0.917) 1.727 25.337 ( -1.508 0.941 2.866) 3.373 25.428 ( 0.615 2.312 -1.712) 2.942 25.524 ( -0.117 2.098 -0.412) 2.141 25.813 ( 1.671 0.779 2.988) 3.511 25.945 ( 0.184 0.020 2.128) 2.137 26.165 ( 0.516 -2.870 -0.663) 2.991 26.275 ( 1.689 -1.114 -0.068) 2.025 26.501 ( 0.178 -1.218 -10.610) 10.682 26.742 ( 2.500 -2.417 -1.192) 3.676 26.786 ( 3.258 -0.712 -0.563) 3.382 27.189 ( 0.047 -2.385 -1.169) 2.656 27.217 ( 0.132 -2.433 -0.016) 2.437 27.272 ( -1.401 -2.223 -2.977) 3.971 27.430 ( 2.273 2.298 0.226) 3.240 27.500 ( -1.490 -1.029 4.870) 5.195 27.669 ( 0.370 0.207 -0.854) 0.953 27.799 ( 0.601 -0.161 1.444) 1.572 27.949 ( 2.570 2.981 -0.024) 3.936 28.580 ( -3.535 0.341 1.241) 3.762 28.748 ( -1.004 -0.950 -1.226) 1.848 29.335 ( 2.404 -1.475 2.532) 3.790 29.618 ( 4.024 -1.203 -1.805) 4.571 ======================= Grid point 102 (38/100) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.015 ( 0.000 41.202 55.031) 68.747 2.320 ( 0.000 56.764 56.888) 80.364 3.478 ( 0.000 70.204 96.644) 119.452 4.201 ( -0.000 -1.703 -1.329) 2.160 4.407 ( 0.000 3.950 2.276) 4.558 5.406 ( 0.000 2.620 3.578) 4.434 5.841 ( -0.000 -2.782 -3.095) 4.161 6.647 ( 0.000 10.562 -35.660) 37.192 6.901 ( 0.000 10.734 -39.553) 40.983 7.707 ( 0.000 1.788 19.170) 19.253 8.613 ( 0.000 10.506 -1.160) 10.570 8.653 ( 0.000 25.529 11.438) 27.975 9.245 ( -0.000 -0.953 21.246) 21.267 9.256 ( -0.000 -8.264 -14.415) 16.616 9.597 ( 0.000 5.027 9.794) 11.009 9.718 ( 0.000 8.985 -14.575) 17.122 9.899 ( -0.000 -3.058 0.061) 3.059 9.975 ( -0.000 -4.625 12.212) 13.058 10.236 ( 0.000 8.124 1.388) 8.242 10.814 ( 0.000 8.486 -11.401) 14.212 10.916 ( -0.000 -8.902 -9.521) 13.034 11.186 ( 0.000 6.044 -7.985) 10.015 11.284 ( -0.000 -5.043 -4.924) 7.048 11.729 ( 0.000 3.425 -13.580) 14.006 12.529 ( -0.000 -10.188 0.501) 10.201 12.716 ( 0.000 12.230 -25.214) 28.023 13.135 ( -0.000 -1.233 -32.663) 32.686 13.235 ( 0.000 2.596 -4.829) 5.483 13.753 ( -0.000 -14.471 13.865) 20.041 13.801 ( -0.000 -0.952 4.489) 4.588 14.306 ( 0.000 0.130 -7.988) 7.989 14.518 ( -0.000 -3.707 3.976) 5.436 14.768 ( -0.000 -8.177 1.798) 8.372 15.283 ( -0.000 -8.462 -8.200) 11.784 15.436 ( 0.000 0.382 4.835) 4.850 15.566 ( 0.000 1.868 5.867) 6.157 16.287 ( 0.000 0.616 10.324) 10.343 16.483 ( 0.000 5.776 1.158) 5.891 16.573 ( -0.000 -0.439 -10.225) 10.234 16.647 ( -0.000 -5.470 15.520) 16.456 16.715 ( 0.000 5.674 19.100) 19.925 17.351 ( -0.000 -5.020 1.258) 5.175 17.645 ( -0.000 -1.238 16.050) 16.098 17.680 ( -0.000 -10.471 -0.013) 10.471 17.936 ( -0.000 -0.360 -4.131) 4.147 18.013 ( -0.000 -0.890 -6.838) 6.896 18.137 ( 0.000 4.141 -10.591) 11.372 18.694 ( 0.000 0.781 -10.414) 10.444 18.757 ( 0.000 0.112 7.963) 7.964 19.246 ( 0.000 2.667 18.733) 18.922 20.034 ( 0.000 6.135 -0.801) 6.187 20.208 ( -0.000 -0.250 8.513) 8.517 20.547 ( -0.000 -4.257 -2.191) 4.788 20.800 ( -0.000 -0.614 -1.978) 2.071 21.059 ( 0.000 0.052 1.185) 1.186 21.145 ( 0.000 2.953 1.959) 3.544 21.296 ( -0.000 -3.231 -4.432) 5.484 21.340 ( -0.000 -3.533 2.131) 4.126 21.444 ( -0.000 -3.400 -1.082) 3.568 21.527 ( -0.000 -5.268 4.780) 7.113 21.876 ( -0.000 -2.111 2.405) 3.200 21.882 ( 0.000 0.396 -31.993) 31.995 21.976 ( -0.000 -2.573 4.115) 4.854 22.113 ( -0.000 -1.726 3.675) 4.060 22.434 ( -0.000 -0.121 0.072) 0.141 22.507 ( 0.000 1.224 -0.900) 1.519 22.801 ( -0.000 -0.856 -14.810) 14.835 22.957 ( 0.000 0.124 -7.731) 7.732 23.430 ( 0.000 1.008 -0.080) 1.012 23.491 ( -0.000 -3.176 15.719) 16.037 23.517 ( 0.000 4.843 -2.800) 5.594 24.265 ( -0.000 -0.840 29.527) 29.539 24.614 ( -0.000 -0.846 -8.186) 8.229 25.280 ( 0.000 0.813 -0.616) 1.020 25.312 ( 0.000 0.917 3.146) 3.276 25.412 ( 0.000 2.008 -0.898) 2.200 25.506 ( 0.000 1.645 -0.175) 1.655 25.822 ( 0.000 0.585 3.197) 3.250 25.947 ( -0.000 -0.108 2.599) 2.601 26.194 ( -0.000 -2.070 -0.200) 2.080 26.303 ( -0.000 -0.896 -0.860) 1.242 26.512 ( -0.000 -0.970 -11.281) 11.322 26.795 ( -0.000 -2.266 -1.945) 2.986 26.828 ( -0.000 -1.356 -2.096) 2.496 27.211 ( -0.000 -2.282 -0.326) 2.305 27.250 ( -0.000 -2.195 0.801) 2.337 27.266 ( -0.000 -0.861 -3.585) 3.687 27.432 ( 0.000 1.944 -0.256) 1.961 27.501 ( -0.000 -1.721 5.124) 5.405 27.668 ( 0.000 0.445 -0.271) 0.521 27.804 ( 0.000 0.271 1.450) 1.475 27.947 ( 0.000 2.022 0.249) 2.037 28.543 ( 0.000 0.296 1.631) 1.657 28.749 ( -0.000 -0.730 -1.469) 1.641 29.371 ( -0.000 -1.125 2.633) 2.863 29.667 ( -0.000 -0.978 -1.896) 2.133 ======================= Grid point 105 (39/100) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.833 ( 25.427 -0.000 5.552) 26.026 5.027 ( -5.636 0.000 7.459) 9.349 5.277 ( 14.572 -0.000 -9.163) 17.214 5.433 ( 19.779 -0.000 2.547) 19.942 5.557 ( 18.354 -0.000 7.777) 19.933 6.021 ( 40.755 -0.000 21.351) 46.009 7.072 ( 17.143 -0.000 9.641) 19.668 7.621 ( 7.253 -0.000 -0.441) 7.267 7.985 ( -31.007 0.000 8.207) 32.074 8.063 ( -4.090 0.000 6.283) 7.497 8.476 ( 9.274 -0.000 -10.570) 14.061 8.896 ( 65.167 -0.000 9.703) 65.885 9.307 ( 26.488 -0.000 -16.114) 31.004 9.703 ( 7.424 -0.000 -2.674) 7.891 9.750 ( 3.939 -0.000 -2.622) 4.732 10.180 ( -2.764 0.000 -0.746) 2.863 10.223 ( 11.532 -0.000 -2.588) 11.819 10.474 ( -11.683 0.000 -8.503) 14.450 10.884 ( -9.248 0.000 -23.458) 25.216 10.980 ( -14.620 0.000 -1.675) 14.716 11.195 ( -4.940 0.000 -2.167) 5.394 11.404 ( -5.034 0.000 -15.818) 16.600 11.631 ( -10.624 0.000 6.906) 12.671 11.959 ( 13.404 -0.000 5.428) 14.462 12.198 ( 15.046 -0.000 3.933) 15.552 12.370 ( -0.714 0.000 -16.261) 16.276 12.433 ( -1.131 0.000 3.603) 3.777 12.798 ( 27.826 -0.000 -13.265) 30.826 13.009 ( -24.883 0.000 18.705) 31.129 13.374 ( -9.961 0.000 20.235) 22.554 13.752 ( 0.565 -0.000 10.492) 10.508 13.898 ( -24.855 0.000 20.799) 32.409 14.990 ( 3.651 -0.000 -9.024) 9.735 15.225 ( -8.848 0.000 6.340) 10.885 15.392 ( -0.639 0.000 -1.969) 2.070 15.776 ( 4.534 -0.000 6.731) 8.116 16.086 ( -4.251 0.000 -16.986) 17.510 16.371 ( 4.332 -0.000 -15.443) 16.039 16.611 ( 0.291 -0.000 4.978) 4.987 16.854 ( -11.032 0.000 4.091) 11.766 16.911 ( -6.739 0.000 1.698) 6.949 17.109 ( 11.156 -0.000 1.586) 11.268 17.212 ( -1.940 0.000 -6.049) 6.353 17.223 ( -11.755 0.000 1.467) 11.847 17.524 ( 9.185 -0.000 9.963) 13.551 17.844 ( -6.659 0.000 1.214) 6.768 18.566 ( 12.106 -0.000 -19.181) 22.682 18.875 ( -6.029 0.000 -21.080) 21.925 19.233 ( 11.485 -0.000 -4.378) 12.291 19.701 ( -15.019 0.000 -9.750) 17.906 19.778 ( 9.754 -0.000 19.782) 22.056 19.966 ( -4.436 0.000 2.508) 5.096 20.090 ( -3.300 0.000 4.928) 5.931 20.470 ( -0.496 0.000 -5.312) 5.335 20.744 ( 0.005 -0.000 6.504) 6.504 20.816 ( -4.856 0.000 5.905) 7.645 21.149 ( 1.093 -0.000 4.484) 4.616 21.421 ( -1.711 0.000 0.628) 1.823 21.545 ( 0.438 -0.000 -0.954) 1.050 21.647 ( -0.479 0.000 3.158) 3.194 21.750 ( -5.846 0.000 4.728) 7.519 21.882 ( -0.060 0.000 1.236) 1.238 21.883 ( 1.693 -0.000 4.130) 4.464 21.990 ( -8.029 0.000 1.764) 8.220 22.385 ( 4.475 -0.000 -13.027) 13.774 22.538 ( -4.272 0.000 -12.679) 13.380 22.814 ( 4.413 -0.000 0.935) 4.511 23.016 ( -3.862 0.000 -0.606) 3.909 23.413 ( 2.153 -0.000 3.178) 3.839 23.425 ( -0.668 0.000 7.700) 7.729 24.040 ( -0.699 0.000 7.906) 7.937 24.140 ( 6.086 -0.000 5.043) 7.903 25.218 ( 8.213 -0.000 -8.039) 11.493 25.223 ( -5.667 0.000 3.034) 6.428 25.372 ( 1.739 -0.000 -2.171) 2.782 25.437 ( -0.229 0.000 -0.960) 0.987 25.622 ( 3.136 -0.000 -0.088) 3.137 25.673 ( -2.185 0.000 -3.894) 4.465 25.993 ( 2.731 -0.000 6.127) 6.708 26.061 ( -4.602 0.000 -1.240) 4.766 26.258 ( -6.561 0.000 0.046) 6.561 26.263 ( 3.053 -0.000 -1.924) 3.609 26.628 ( -2.113 0.000 -0.545) 2.182 26.632 ( -1.540 0.000 1.264) 1.992 27.117 ( -2.379 0.000 -0.537) 2.439 27.210 ( -0.581 0.000 -4.529) 4.566 27.340 ( -1.442 0.000 -0.984) 1.745 27.350 ( -0.478 0.000 1.789) 1.852 27.589 ( 2.418 -0.000 -0.417) 2.454 27.614 ( -0.299 0.000 -1.177) 1.215 27.720 ( -2.544 0.000 3.361) 4.215 27.823 ( 1.918 -0.000 0.671) 2.032 28.918 ( 4.850 -0.000 0.177) 4.853 28.978 ( 8.370 -0.000 -1.156) 8.450 29.071 ( -5.925 0.000 1.283) 6.062 29.166 ( -10.763 0.000 -0.583) 10.779 ======================= Grid point 106 (40/100) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.867 ( -10.895 -0.879 3.806) 11.574 5.145 ( 9.767 0.488 0.313) 9.784 5.242 ( -12.739 0.677 -1.422) 12.836 5.433 ( 5.754 0.211 -4.748) 7.463 6.405 ( 39.509 1.510 10.827) 40.993 6.760 ( 26.599 -0.144 4.951) 27.056 7.202 ( -2.211 15.234 19.256) 24.653 7.460 ( 2.725 25.814 -1.629) 26.008 7.540 ( -9.659 -6.195 9.134) 14.666 8.062 ( 4.455 2.493 8.610) 10.009 8.642 ( -9.436 -24.430 -3.141) 26.377 9.439 ( -5.298 10.053 -13.132) 17.366 9.693 ( 5.094 -0.903 -1.875) 5.503 9.871 ( -6.200 -4.170 1.498) 7.621 10.083 ( 19.856 0.725 -5.349) 20.577 10.144 ( 6.663 4.626 -15.950) 17.894 10.244 ( 7.891 -5.067 -5.570) 10.907 10.405 ( 3.186 1.396 -7.459) 8.230 10.648 ( -6.914 -3.640 -3.380) 8.513 10.739 ( -13.505 -11.346 -16.891) 24.422 11.133 ( 0.978 2.635 10.116) 10.499 11.296 ( -5.527 4.484 -1.999) 7.393 11.584 ( 0.718 -9.904 3.569) 10.552 12.052 ( -7.590 -1.138 9.887) 12.516 12.171 ( -6.479 16.286 5.505) 18.371 12.369 ( 14.251 6.701 -10.586) 18.975 12.661 ( 13.358 -8.935 1.054) 16.105 12.823 ( -1.135 -9.299 12.363) 15.512 13.072 ( -5.380 1.667 -2.053) 5.995 13.105 ( -18.631 -4.750 13.519) 23.504 13.558 ( -1.173 1.228 9.558) 9.707 13.941 ( 18.183 7.852 6.079) 20.718 15.022 ( -0.498 -0.267 -7.275) 7.297 15.044 ( -9.727 -0.159 -0.951) 9.775 15.387 ( -1.098 -2.215 7.722) 8.108 15.797 ( 2.245 8.382 1.290) 8.772 16.058 ( -2.301 -7.354 -16.607) 18.308 16.418 ( 0.426 1.545 -9.940) 10.068 16.522 ( -7.273 0.780 4.985) 8.852 16.650 ( -13.333 -3.282 5.233) 14.695 16.843 ( 1.539 -0.403 -3.237) 3.607 17.014 ( -3.723 8.001 -0.191) 8.827 17.265 ( 3.392 -3.995 -4.841) 7.135 17.348 ( 13.177 -0.618 1.733) 13.305 17.723 ( -5.270 0.131 7.229) 8.947 17.760 ( 12.746 -1.779 3.982) 13.472 18.717 ( -9.707 1.375 -21.634) 23.752 18.748 ( 6.300 -0.536 -18.954) 19.981 19.446 ( -10.514 1.532 -6.663) 12.541 19.475 ( 12.008 -2.075 -8.413) 14.808 19.826 ( -9.430 -0.205 15.284) 17.960 19.932 ( 6.039 -1.574 9.689) 11.525 20.076 ( 0.848 -1.206 1.945) 2.440 20.472 ( 2.188 2.926 -4.577) 5.856 20.773 ( 1.171 2.017 3.928) 4.568 20.794 ( 5.446 0.935 9.197) 10.730 21.177 ( 0.397 -2.197 6.053) 6.451 21.366 ( -3.186 1.245 -0.833) 3.521 21.508 ( -3.431 1.873 0.349) 3.924 21.604 ( -3.960 -1.855 3.576) 5.649 21.661 ( -5.730 -3.124 4.365) 7.851 21.876 ( 2.449 4.156 2.314) 5.351 21.881 ( -3.314 -1.081 2.778) 4.457 21.987 ( 5.425 -3.060 1.431) 6.391 22.446 ( -5.153 0.196 -13.595) 14.540 22.458 ( 2.842 -0.736 -12.969) 13.298 22.883 ( 2.790 -0.654 1.276) 3.137 22.924 ( -5.521 0.848 0.681) 5.627 23.412 ( -0.885 -0.196 8.041) 8.092 23.447 ( 1.773 0.162 5.275) 5.567 24.024 ( -1.855 -0.617 4.661) 5.055 24.212 ( 2.263 0.948 5.303) 5.843 25.105 ( -7.399 -0.501 2.035) 7.690 25.348 ( 6.066 1.508 -7.734) 9.944 25.401 ( 0.793 -0.755 -2.523) 2.751 25.424 ( -0.044 0.064 -1.456) 1.458 25.628 ( -2.912 -0.230 -4.375) 5.261 25.679 ( 3.011 0.018 0.245) 3.021 25.992 ( -2.502 0.339 -0.429) 2.562 26.045 ( 2.988 1.196 4.709) 5.704 26.163 ( -4.199 -1.593 3.030) 5.418 26.335 ( 4.851 0.294 -3.379) 5.919 26.600 ( -0.956 -0.120 -0.453) 1.065 26.609 ( -0.816 -0.188 1.362) 1.598 27.090 ( -0.959 -0.692 0.350) 1.233 27.192 ( -1.400 -0.138 -3.837) 4.087 27.297 ( -2.444 0.467 -1.202) 2.763 27.362 ( 1.389 -0.334 0.892) 1.684 27.609 ( -0.220 0.455 0.239) 0.559 27.628 ( 1.487 0.675 -0.623) 1.748 27.696 ( -0.371 -1.414 2.526) 2.919 27.864 ( 3.080 0.825 -0.076) 3.189 28.931 ( -6.583 0.094 0.111) 6.584 28.965 ( -8.074 -0.138 -0.787) 8.114 29.027 ( 3.681 -0.276 1.504) 3.986 29.165 ( 9.410 -0.090 -0.915) 9.455 ======================= Grid point 107 (41/100) ======================= q-point: (-0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.660 ( -13.024 -1.754 2.184) 13.322 4.893 ( -19.747 1.123 -2.379) 19.921 5.331 ( 7.822 2.460 1.812) 8.398 5.535 ( 4.523 -2.254 -2.475) 5.627 6.152 ( -39.385 20.665 16.438) 47.417 6.703 ( -13.111 36.201 0.464) 38.505 7.087 ( 11.052 21.306 8.991) 25.631 7.678 ( 27.176 2.210 12.808) 30.124 7.750 ( 12.106 -3.518 -7.069) 14.453 8.187 ( 6.372 -6.235 13.556) 16.225 8.422 ( -26.655 -8.641 9.734) 29.663 9.178 ( -12.384 8.819 -14.115) 20.746 9.452 ( -22.762 15.457 -11.040) 29.647 9.697 ( -5.452 -1.028 0.463) 5.567 9.812 ( -11.620 -1.696 -13.767) 18.095 10.151 ( -7.232 -5.200 -5.592) 10.517 10.488 ( 6.064 0.692 -3.083) 6.838 10.575 ( -0.251 -4.015 -3.109) 5.084 10.707 ( -0.383 5.304 -4.636) 7.055 10.894 ( -7.694 19.331 3.047) 21.028 11.003 ( 13.365 -16.654 -6.652) 22.366 11.227 ( -7.202 -3.015 11.220) 13.669 11.766 ( 7.020 -4.864 -5.239) 10.019 12.012 ( 6.788 -12.671 7.869) 16.387 12.141 ( 12.440 -3.826 -1.495) 13.101 12.465 ( -23.318 6.768 16.211) 29.195 12.568 ( -2.736 3.947 -7.219) 8.670 12.855 ( 0.706 -0.974 7.368) 7.465 13.014 ( 11.499 -3.700 1.093) 12.129 13.189 ( 14.214 -1.786 -7.681) 16.255 13.694 ( 8.333 -3.699 4.833) 10.319 14.137 ( 11.611 7.984 2.606) 14.330 14.847 ( -10.423 -0.488 -4.748) 11.464 15.044 ( 0.038 -2.532 -8.396) 8.769 15.384 ( -2.546 -3.340 15.488) 16.047 15.734 ( 1.844 8.613 -1.053) 8.871 16.113 ( -1.277 -6.224 -11.371) 13.026 16.296 ( -12.660 -1.600 -4.372) 13.489 16.416 ( -3.805 -5.879 4.687) 8.427 16.573 ( 0.381 -5.121 -0.601) 5.170 16.876 ( 0.497 3.444 -4.058) 5.346 16.969 ( 5.172 2.056 -0.013) 5.566 17.401 ( 9.134 1.639 -2.836) 9.704 17.565 ( 8.107 0.810 3.363) 8.814 17.639 ( -0.337 -0.238 10.370) 10.378 18.011 ( 11.757 -0.197 -2.978) 12.130 18.479 ( -13.606 1.913 -17.057) 21.903 18.812 ( 0.022 -0.219 -15.530) 15.532 19.212 ( -11.532 2.134 -0.844) 11.758 19.642 ( -9.602 0.385 22.761) 24.707 19.767 ( 13.929 -4.163 -8.475) 16.828 20.065 ( 7.121 -0.974 0.145) 7.189 20.139 ( 3.478 -3.324 1.033) 4.920 20.486 ( 3.848 5.004 -3.105) 7.035 20.812 ( 5.591 2.740 1.261) 6.353 20.901 ( 6.655 0.741 7.492) 10.048 21.181 ( -2.098 -1.607 4.694) 5.387 21.302 ( -2.625 0.432 -1.048) 2.859 21.441 ( -3.110 -1.836 3.889) 5.307 21.534 ( -6.728 -2.892 1.813) 7.544 21.613 ( -2.992 -4.500 4.406) 6.972 21.843 ( -0.838 -0.050 0.886) 1.221 21.914 ( 3.493 1.447 4.810) 6.118 22.108 ( 3.952 -0.718 -8.068) 9.012 22.351 ( -3.707 -0.488 -9.068) 9.808 22.526 ( 2.778 -2.096 -13.100) 13.555 22.802 ( -6.350 1.281 0.894) 6.539 22.933 ( 1.600 -1.348 0.237) 2.106 23.396 ( -1.135 -0.282 8.425) 8.506 23.478 ( 1.996 0.548 7.978) 8.242 23.971 ( -4.282 0.330 2.977) 5.225 24.209 ( -0.592 1.781 7.241) 7.481 24.965 ( -8.688 -1.026 0.482) 8.762 25.380 ( -0.489 0.484 -3.350) 3.420 25.397 ( -0.031 0.559 -1.274) 1.392 25.478 ( 4.200 1.969 -3.956) 6.097 25.580 ( -2.370 -0.844 -4.799) 5.418 25.733 ( 2.994 0.114 0.346) 3.016 25.963 ( -0.323 0.567 0.619) 0.899 26.058 ( 0.151 0.791 2.300) 2.437 26.155 ( 0.486 -2.464 4.318) 4.995 26.418 ( 3.845 0.245 -6.322) 7.404 26.600 ( 0.759 -0.453 0.852) 1.228 26.617 ( 1.439 -1.099 0.963) 2.051 27.094 ( 0.151 -1.266 0.550) 1.388 27.167 ( -1.857 -1.184 -2.550) 3.370 27.252 ( -2.394 -0.662 -1.197) 2.757 27.400 ( 2.980 0.916 -0.057) 3.118 27.579 ( -2.422 0.103 1.991) 3.137 27.647 ( 1.715 1.018 -0.857) 2.171 27.725 ( 1.193 -1.531 1.506) 2.456 27.918 ( 4.141 1.693 -0.667) 4.523 28.805 ( -8.103 -0.129 -0.073) 8.105 28.822 ( -5.155 -0.293 -0.194) 5.167 29.128 ( 5.321 -0.764 1.827) 5.678 29.334 ( 8.604 -0.431 -1.347) 8.720 ======================= Grid point 108 (42/100) ======================= q-point: (-0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.419 ( -18.917 1.385 1.526) 19.029 4.471 ( -21.023 2.333 0.107) 21.153 5.133 ( -35.551 32.389 29.316) 56.323 5.428 ( 1.232 2.800 0.862) 3.178 5.637 ( 2.844 -3.510 -1.799) 4.863 5.776 ( -34.533 40.449 10.826) 54.275 7.072 ( -5.282 10.003 2.437) 11.571 7.368 ( -16.517 33.716 10.109) 38.882 7.866 ( -3.671 14.401 0.995) 14.895 8.348 ( -4.237 3.660 -13.280) 14.413 8.412 ( 11.729 5.320 -2.785) 13.177 8.884 ( 10.920 3.735 8.771) 14.496 9.097 ( -4.650 3.737 -13.326) 14.600 9.560 ( -19.820 -4.335 2.203) 20.407 9.703 ( -1.657 -2.598 -3.771) 4.870 9.988 ( -17.303 -3.506 6.066) 18.667 10.254 ( -7.002 12.121 1.268) 14.056 10.586 ( -5.622 -3.633 0.029) 6.694 10.628 ( -5.193 0.160 -1.254) 5.345 10.787 ( -5.766 10.433 12.919) 17.578 11.005 ( 3.962 1.935 -6.356) 7.736 11.301 ( -2.435 -9.109 -13.077) 16.122 11.728 ( -9.411 7.429 -2.521) 12.252 12.085 ( -2.777 10.901 0.283) 11.252 12.200 ( -8.686 2.810 5.009) 10.412 12.536 ( 12.560 -24.924 5.765) 28.499 12.636 ( 22.628 -5.691 -11.313) 25.931 13.027 ( 11.206 2.264 -6.979) 13.394 13.225 ( 11.486 6.905 -7.692) 15.453 13.415 ( 10.008 -3.232 -3.963) 11.239 13.894 ( 7.508 -4.363 1.141) 8.758 14.258 ( 4.259 -5.543 3.837) 7.974 14.670 ( -9.506 -0.644 -7.264) 11.981 15.070 ( -0.998 -3.862 -9.607) 10.402 15.377 ( -1.571 -3.722 17.098) 17.569 15.699 ( 0.668 5.180 2.744) 5.899 16.084 ( -1.965 -2.851 0.676) 3.528 16.224 ( -2.712 -8.872 -2.212) 9.538 16.441 ( -3.204 -10.416 1.597) 11.014 16.681 ( 1.953 -6.413 -6.935) 9.645 16.857 ( 4.275 6.346 1.197) 7.745 17.060 ( 4.509 -0.874 2.270) 5.123 17.451 ( 0.944 7.403 12.147) 14.256 17.666 ( 9.686 -0.294 -2.849) 10.100 17.775 ( 8.358 -0.571 1.335) 8.483 18.075 ( -8.747 3.709 -3.128) 10.003 18.285 ( 0.230 1.474 -10.128) 10.237 18.774 ( -3.687 -0.509 -12.774) 13.305 18.990 ( -10.365 1.396 5.095) 11.633 19.483 ( -6.231 2.052 20.563) 21.585 20.022 ( 8.607 -3.718 -0.519) 9.390 20.190 ( 4.875 0.078 -4.957) 6.953 20.263 ( 5.109 -4.062 -0.102) 6.528 20.539 ( 8.259 3.999 -4.371) 10.164 20.906 ( 6.560 1.702 0.641) 6.807 21.015 ( 5.538 -1.008 3.259) 6.505 21.171 ( -0.566 -2.493 2.029) 3.264 21.266 ( -0.910 -0.642 0.756) 1.346 21.397 ( -6.365 -4.958 2.890) 8.570 21.433 ( -6.641 -2.552 2.354) 7.494 21.650 ( 1.455 -4.470 5.899) 7.543 21.844 ( 0.254 -1.052 -0.971) 1.454 21.969 ( 3.214 0.069 5.564) 6.426 22.087 ( -5.393 -0.077 -22.628) 23.262 22.368 ( 3.492 -0.647 0.118) 3.553 22.601 ( 2.368 -3.047 -12.918) 13.482 22.679 ( -5.096 1.482 -0.295) 5.315 22.967 ( 0.405 -1.550 -2.659) 3.105 23.379 ( -0.947 -0.407 10.542) 10.592 23.507 ( 1.909 1.176 8.593) 8.881 23.864 ( -5.748 2.217 1.964) 6.466 24.179 ( -0.106 1.559 12.148) 12.248 24.812 ( -9.247 -1.412 -1.223) 9.434 25.357 ( -0.891 1.149 -1.847) 2.351 25.384 ( -0.853 0.463 0.712) 1.204 25.489 ( 0.014 2.046 -4.140) 4.618 25.576 ( 1.440 1.278 -3.471) 3.969 25.785 ( 2.788 0.088 0.986) 2.959 25.958 ( 0.433 1.037 1.661) 2.005 26.065 ( 0.261 -1.904 1.027) 2.179 26.198 ( 1.561 -1.843 2.776) 3.679 26.458 ( 0.482 -0.878 -9.295) 9.349 26.634 ( 1.669 -1.616 0.148) 2.328 26.687 ( 4.586 -0.836 1.365) 4.857 27.118 ( 0.695 -1.646 0.048) 1.788 27.151 ( -1.670 -2.250 -1.163) 3.034 27.226 ( -1.915 -1.954 -1.478) 3.110 27.446 ( 3.549 2.063 -0.494) 4.135 27.529 ( -2.912 -0.148 3.182) 4.316 27.666 ( 1.021 0.492 -1.180) 1.637 27.761 ( 1.205 -1.099 1.682) 2.343 27.976 ( 4.196 2.452 -1.005) 4.963 28.677 ( -5.826 0.234 0.460) 5.849 28.753 ( -3.067 -0.869 -0.584) 3.240 29.226 ( 4.177 -1.301 2.289) 4.937 29.482 ( 6.678 -0.951 -1.624) 6.938 ======================= Grid point 109 (43/100) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.689 ( -35.739 27.271 17.531) 48.253 4.166 ( -23.076 39.998 39.972) 61.074 4.259 ( -12.489 1.926 4.761) 13.504 4.855 ( -22.969 17.440 7.708) 29.852 5.475 ( 2.077 2.950 2.271) 4.263 5.715 ( 1.571 -3.327 -1.871) 4.128 6.286 ( -17.800 73.400 23.604) 79.130 7.097 ( 4.789 20.581 -10.698) 23.685 7.634 ( -16.058 18.538 -24.705) 34.811 7.823 ( -7.389 7.063 -0.532) 10.235 8.845 ( 18.049 -0.640 -3.930) 18.483 8.935 ( 1.505 7.863 -10.910) 13.532 9.154 ( -17.685 -10.320 4.102) 20.882 9.365 ( 14.536 -3.966 12.161) 19.362 9.659 ( -12.739 -7.248 -2.016) 14.795 9.779 ( 0.400 4.280 8.950) 9.929 10.012 ( -4.785 21.431 2.175) 22.066 10.305 ( -20.245 6.407 17.292) 27.384 10.504 ( -6.386 1.030 0.168) 6.470 10.651 ( -3.369 -6.203 0.716) 7.095 11.132 ( 7.304 5.623 -5.500) 10.735 11.213 ( 0.320 5.342 -0.746) 5.403 11.631 ( -5.871 12.970 -15.982) 21.404 11.725 ( -5.747 6.039 -11.804) 14.451 12.230 ( 2.655 -5.300 8.333) 10.226 12.951 ( 9.648 -9.553 -11.214) 17.610 13.024 ( 10.399 -1.876 -18.821) 21.585 13.167 ( 8.044 2.357 -11.476) 14.212 13.341 ( 6.930 -1.852 -8.809) 11.360 13.650 ( 8.781 -4.887 5.888) 11.647 14.071 ( 5.460 -11.487 -3.120) 13.095 14.352 ( -4.171 -8.419 -5.908) 11.099 14.535 ( -4.744 -1.423 1.964) 5.328 15.087 ( -1.323 -4.468 -9.717) 10.776 15.403 ( -0.052 -3.555 11.197) 11.748 15.634 ( -1.898 3.371 4.545) 5.968 16.185 ( 5.430 -4.123 6.979) 9.756 16.313 ( 1.977 -11.378 8.080) 14.094 16.490 ( -2.838 -9.286 0.458) 9.721 16.688 ( -3.631 -0.345 -7.608) 8.437 16.922 ( 8.619 8.766 5.578) 13.500 17.146 ( 1.320 -5.271 3.854) 6.661 17.405 ( 1.224 2.191 10.842) 11.128 17.779 ( -11.472 1.790 8.196) 14.212 17.856 ( 6.769 0.432 -2.648) 7.281 17.919 ( 4.838 -0.981 -1.915) 5.295 18.301 ( 2.309 5.732 -11.528) 13.080 18.717 ( -3.071 -1.374 -11.114) 11.612 18.824 ( -6.258 0.612 6.133) 8.783 19.375 ( -2.735 3.273 17.518) 18.030 20.156 ( 3.858 -1.007 5.124) 6.493 20.222 ( 0.852 3.303 -2.539) 4.252 20.371 ( 2.086 -4.640 -0.498) 5.112 20.700 ( 9.408 0.526 -6.710) 11.568 21.008 ( 5.369 0.000 0.736) 5.419 21.112 ( 2.912 -2.355 0.256) 3.754 21.203 ( 0.638 -2.955 -1.042) 3.197 21.288 ( -0.577 -2.752 1.803) 3.340 21.316 ( -4.736 -3.512 1.371) 6.053 21.371 ( -3.493 -4.482 5.184) 7.692 21.730 ( 1.979 -4.425 5.913) 7.646 21.871 ( 0.640 -2.467 -4.091) 4.821 21.970 ( -5.611 -0.329 -22.001) 22.708 22.034 ( 1.859 -1.419 3.235) 3.992 22.423 ( 1.366 -0.198 -0.278) 1.408 22.583 ( -2.245 1.735 -1.139) 3.057 22.689 ( 2.500 -3.477 -14.425) 15.047 22.974 ( -1.011 -0.845 -6.191) 6.329 23.380 ( 0.511 -1.194 14.256) 14.315 23.511 ( 0.164 2.177 5.857) 6.250 23.730 ( -4.723 4.308 0.375) 6.404 24.196 ( 2.849 -0.013 20.448) 20.646 24.666 ( -7.835 -1.408 -3.931) 8.878 25.326 ( -0.839 1.533 -0.734) 1.896 25.360 ( -0.751 1.178 2.033) 2.466 25.467 ( -0.338 1.256 -4.332) 4.523 25.578 ( 1.121 3.220 -1.747) 3.831 25.826 ( 1.718 0.370 2.846) 3.345 25.955 ( 0.311 1.044 1.808) 2.111 26.101 ( 0.471 -3.199 -0.030) 3.234 26.244 ( 1.248 -1.850 1.278) 2.571 26.469 ( -0.416 -1.783 -10.655) 10.811 26.687 ( 1.463 -2.767 -1.130) 3.327 26.775 ( 3.661 -0.445 0.214) 3.694 27.140 ( -0.613 -2.344 -0.774) 2.543 27.165 ( 0.633 -2.459 0.447) 2.579 27.219 ( -1.531 -2.769 -2.395) 3.969 27.475 ( 0.097 0.890 2.600) 2.749 27.491 ( 0.526 1.282 1.296) 1.897 27.671 ( -0.040 -0.034 -0.943) 0.944 27.790 ( 0.855 -0.686 1.753) 2.068 28.013 ( 2.665 3.028 -1.058) 4.170 28.590 ( -3.161 0.624 1.018) 3.379 28.725 ( -1.261 -1.235 -0.956) 2.007 29.302 ( 2.291 -1.662 2.601) 3.844 29.591 ( 3.735 -1.406 -1.822) 4.387 ======================= Grid point 110 (44/100) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.911 ( 0.000 42.506 33.735) 54.266 3.419 ( 0.000 51.555 56.879) 76.767 4.163 ( -0.000 -1.888 -0.337) 1.918 4.531 ( 0.000 8.838 4.152) 9.765 5.226 ( 0.000 92.778 40.518) 101.240 5.466 ( 0.000 2.953 2.532) 3.890 5.770 ( -0.000 -3.897 -2.182) 4.466 6.960 ( 0.000 19.572 -21.009) 28.713 7.208 ( 0.000 18.861 -36.269) 40.880 7.757 ( 0.000 2.941 11.623) 11.989 8.852 ( 0.000 11.978 -3.629) 12.516 9.056 ( -0.000 -6.852 8.620) 11.012 9.080 ( -0.000 -7.666 -15.099) 16.934 9.350 ( 0.000 22.211 6.339) 23.098 9.663 ( 0.000 6.846 5.639) 8.870 9.781 ( -0.000 -1.758 -6.910) 7.130 9.876 ( -0.000 -4.701 12.230) 13.102 9.931 ( 0.000 6.545 23.470) 24.365 10.403 ( 0.000 6.493 1.259) 6.614 10.714 ( -0.000 -10.040 -4.365) 10.948 11.147 ( 0.000 25.427 -15.521) 29.790 11.167 ( -0.000 -4.819 7.065) 8.552 11.330 ( 0.000 7.188 -9.354) 11.796 11.746 ( -0.000 -2.576 -21.473) 21.627 12.327 ( -0.000 -7.589 7.525) 10.687 13.021 ( 0.000 12.417 -21.257) 24.618 13.101 ( -0.000 -2.059 -30.668) 30.737 13.263 ( -0.000 -0.395 -9.884) 9.892 13.484 ( -0.000 -10.808 3.891) 11.487 13.767 ( -0.000 -2.619 5.799) 6.363 14.294 ( -0.000 -1.747 -11.750) 11.879 14.341 ( -0.000 -17.858 -2.161) 17.988 14.544 ( -0.000 -7.060 8.643) 11.160 15.126 ( -0.000 -5.958 -8.408) 10.305 15.432 ( -0.000 -1.720 5.879) 6.125 15.590 ( 0.000 1.535 5.566) 5.774 16.274 ( -0.000 -2.871 8.755) 9.213 16.486 ( -0.000 -10.010 16.334) 19.157 16.510 ( -0.000 -4.890 -0.417) 4.907 16.624 ( 0.000 4.425 -6.801) 8.114 16.905 ( 0.000 11.664 8.899) 14.671 17.216 ( -0.000 -7.290 2.354) 7.660 17.462 ( -0.000 -7.615 6.773) 10.191 17.628 ( -0.000 -0.284 16.297) 16.300 17.936 ( 0.000 0.460 -3.745) 3.773 17.984 ( -0.000 -1.836 -4.101) 4.494 18.252 ( 0.000 6.699 -12.453) 14.141 18.698 ( -0.000 -0.653 -11.344) 11.363 18.761 ( 0.000 0.247 7.114) 7.118 19.314 ( 0.000 3.686 17.148) 17.539 20.171 ( 0.000 6.196 -2.040) 6.523 20.202 ( -0.000 -0.362 7.746) 7.754 20.441 ( -0.000 -5.469 -1.321) 5.626 20.793 ( -0.000 -0.065 -5.113) 5.113 21.063 ( 0.000 0.430 1.007) 1.095 21.176 ( -0.000 -2.027 -0.844) 2.196 21.246 ( 0.000 0.099 -0.976) 0.981 21.246 ( -0.000 -5.389 1.600) 5.622 21.352 ( -0.000 -5.433 -1.009) 5.526 21.406 ( -0.000 -6.000 7.601) 9.684 21.803 ( -0.000 -4.757 6.921) 8.398 21.890 ( 0.000 0.365 -32.319) 32.321 21.918 ( -0.000 -2.877 0.453) 2.913 22.073 ( -0.000 -1.954 4.639) 5.034 22.431 ( -0.000 -0.189 0.048) 0.195 22.547 ( 0.000 2.175 -1.968) 2.933 22.757 ( -0.000 -3.583 -15.615) 16.020 22.960 ( 0.000 0.180 -7.244) 7.246 23.420 ( -0.000 -3.380 17.144) 17.474 23.475 ( 0.000 3.099 3.085) 4.373 23.628 ( 0.000 5.751 -2.088) 6.118 24.245 ( -0.000 -1.092 27.445) 27.467 24.593 ( -0.000 -1.140 -7.644) 7.728 25.303 ( 0.000 1.392 -0.319) 1.428 25.338 ( 0.000 1.536 2.454) 2.895 25.451 ( 0.000 1.538 -3.344) 3.681 25.555 ( 0.000 3.172 -0.962) 3.314 25.836 ( 0.000 0.720 3.967) 4.032 25.949 ( 0.000 0.528 1.613) 1.697 26.139 ( -0.000 -3.236 -0.353) 3.255 26.275 ( -0.000 -1.748 0.400) 1.793 26.484 ( -0.000 -1.816 -11.242) 11.388 26.734 ( -0.000 -3.259 -1.807) 3.726 26.815 ( -0.000 -0.404 -0.878) 0.966 27.159 ( -0.000 -2.742 -0.259) 2.754 27.202 ( -0.000 -2.304 1.305) 2.648 27.228 ( -0.000 -2.762 -4.036) 4.891 27.469 ( -0.000 -1.184 5.671) 5.793 27.483 ( 0.000 2.942 -0.956) 3.094 27.671 ( -0.000 -0.164 -0.498) 0.524 27.803 ( -0.000 -0.339 1.617) 1.652 28.006 ( 0.000 3.278 -0.767) 3.366 28.553 ( 0.000 0.673 1.373) 1.529 28.727 ( -0.000 -1.267 -1.208) 1.751 29.340 ( -0.000 -1.719 2.693) 3.195 29.641 ( -0.000 -1.522 -1.900) 2.435 ======================= Grid point 115 (45/100) ======================= q-point: (-0.67 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.640 ( -13.195 0.000 2.505) 13.431 4.905 ( -19.511 0.000 -2.585) 19.682 5.359 ( 8.585 -0.000 1.009) 8.645 5.508 ( 3.236 -0.000 -2.389) 4.022 6.370 ( -34.331 0.000 15.286) 37.580 7.040 ( 3.746 -0.000 -8.393) 9.191 7.638 ( 36.979 -0.000 2.911) 37.094 7.693 ( 5.815 -0.000 6.293) 8.568 7.781 ( 27.011 -0.000 19.229) 33.156 7.843 ( -54.229 0.000 12.966) 55.757 8.255 ( 12.561 -0.000 5.200) 13.595 9.328 ( -10.271 0.000 -15.714) 18.773 9.652 ( -6.312 0.000 -2.405) 6.754 9.695 ( -8.412 0.000 -4.504) 9.542 9.724 ( -36.679 0.000 -16.306) 40.140 10.067 ( -4.464 0.000 -8.286) 9.412 10.441 ( -8.975 0.000 -0.886) 9.018 10.520 ( 15.947 -0.000 -22.628) 27.683 10.795 ( 12.879 -0.000 -3.750) 13.414 10.845 ( 15.196 -0.000 -0.911) 15.224 11.247 ( 8.684 -0.000 14.417) 16.830 11.248 ( -6.909 0.000 1.766) 7.131 11.586 ( 7.602 -0.000 12.119) 14.306 11.895 ( -27.008 0.000 13.014) 29.980 12.084 ( 7.195 -0.000 0.314) 7.202 12.459 ( -6.456 0.000 6.887) 9.440 12.611 ( -14.757 0.000 8.552) 17.056 12.797 ( 16.954 -0.000 -12.360) 20.981 13.051 ( 9.272 -0.000 10.383) 13.921 13.145 ( 16.274 -0.000 -6.690) 17.596 13.634 ( 3.861 -0.000 1.124) 4.021 14.275 ( 10.853 -0.000 -0.898) 10.890 14.841 ( -10.864 0.000 -3.099) 11.298 15.020 ( -0.088 0.000 -9.479) 9.480 15.341 ( -2.782 0.000 14.879) 15.137 15.920 ( 3.614 -0.000 0.073) 3.615 15.952 ( -2.462 0.000 -18.968) 19.127 16.281 ( -15.898 0.000 -1.855) 16.006 16.356 ( -9.858 0.000 9.775) 13.883 16.504 ( 2.339 -0.000 -2.523) 3.440 16.916 ( 2.688 -0.000 -6.109) 6.674 17.006 ( 1.267 -0.000 0.876) 1.540 17.400 ( 12.109 -0.000 -5.364) 13.244 17.579 ( 11.576 -0.000 2.602) 11.865 17.638 ( -3.270 0.000 13.392) 13.785 18.009 ( 13.810 -0.000 -3.220) 14.180 18.499 ( -14.338 0.000 -17.734) 22.805 18.810 ( 0.332 -0.000 -15.830) 15.833 19.236 ( -12.158 0.000 -0.961) 12.196 19.646 ( -8.927 0.000 22.324) 24.043 19.719 ( 13.904 -0.000 -7.340) 15.723 20.054 ( 8.035 -0.000 0.920) 8.087 20.106 ( 3.257 -0.000 1.649) 3.650 20.538 ( 3.161 -0.000 -2.955) 4.327 20.849 ( 5.346 -0.000 0.701) 5.392 20.911 ( 6.079 -0.000 7.610) 9.740 21.165 ( -0.563 0.000 7.546) 7.567 21.295 ( -4.574 0.000 -3.350) 5.669 21.459 ( -5.252 0.000 -0.104) 5.253 21.478 ( -6.478 0.000 4.940) 8.146 21.552 ( -2.797 0.000 4.471) 5.273 21.839 ( -0.867 0.000 2.215) 2.379 21.945 ( 2.523 -0.000 2.507) 3.557 22.095 ( 5.990 -0.000 -5.138) 7.892 22.343 ( -4.774 0.000 -10.804) 11.812 22.501 ( 2.244 -0.000 -12.956) 13.149 22.816 ( -6.492 0.000 0.824) 6.544 22.919 ( 1.697 -0.000 0.557) 1.786 23.392 ( -1.189 0.000 8.892) 8.971 23.484 ( 2.182 -0.000 8.219) 8.504 23.975 ( -3.353 0.000 2.587) 4.235 24.228 ( -0.743 0.000 6.555) 6.597 24.955 ( -8.712 0.000 1.397) 8.824 25.385 ( -0.655 0.000 -3.073) 3.142 25.402 ( -0.212 0.000 -1.138) 1.158 25.503 ( 6.337 -0.000 -6.304) 8.939 25.567 ( -3.361 0.000 -5.225) 6.213 25.734 ( 2.955 -0.000 0.428) 2.986 25.968 ( -0.507 0.000 0.227) 0.556 26.087 ( -2.576 0.000 5.013) 5.636 26.110 ( 2.879 -0.000 3.622) 4.627 26.420 ( 3.394 -0.000 -6.955) 7.739 26.599 ( 0.030 -0.000 1.248) 1.249 26.602 ( 1.850 -0.000 0.877) 2.047 27.081 ( 0.203 -0.000 0.931) 0.953 27.154 ( -2.234 0.000 -2.257) 3.176 27.245 ( -3.058 0.000 -1.562) 3.434 27.411 ( 3.648 -0.000 -0.422) 3.672 27.580 ( -2.621 0.000 2.088) 3.351 27.663 ( 1.247 -0.000 -1.224) 1.747 27.704 ( 1.757 -0.000 2.131) 2.762 27.936 ( 4.184 -0.000 -0.918) 4.284 28.804 ( -7.917 0.000 -0.064) 7.917 28.819 ( -5.447 0.000 -0.150) 5.449 29.120 ( 5.187 -0.000 1.842) 5.504 29.329 ( 8.432 -0.000 -1.375) 8.543 ======================= Grid point 117 (46/100) ======================= q-point: (-0.56 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.398 ( -13.440 -0.974 1.424) 13.550 4.518 ( -22.178 1.159 -0.993) 22.230 5.470 ( 4.554 1.991 0.237) 4.976 5.568 ( 0.174 -1.228 -0.457) 1.322 5.631 ( -32.799 12.403 23.572) 42.252 6.524 ( -54.183 27.251 17.726) 63.187 7.119 ( -3.307 -4.787 -4.885) 7.597 7.766 ( 4.945 8.026 7.202) 11.863 8.147 ( 11.174 9.816 0.430) 14.879 8.302 ( 28.149 -2.171 -1.053) 28.252 8.538 ( 8.104 -1.476 -2.324) 8.559 8.971 ( -15.908 10.865 -9.902) 21.661 9.190 ( -11.812 -1.563 -10.961) 16.190 9.474 ( -16.729 -1.506 -6.698) 18.083 9.573 ( -11.331 -7.660 -1.148) 13.726 10.066 ( 3.638 4.352 -7.652) 9.525 10.356 ( -4.600 -2.501 2.495) 5.800 10.557 ( -20.532 7.651 20.762) 30.186 10.738 ( 7.374 5.575 -10.391) 13.908 10.974 ( -7.877 7.132 5.689) 12.054 11.083 ( -6.172 6.258 -0.307) 8.795 11.293 ( 14.619 11.940 -0.492) 18.882 11.757 ( -2.819 -12.820 5.004) 14.047 11.816 ( 5.714 -31.167 14.124) 34.692 12.121 ( -13.103 0.725 16.016) 20.706 12.392 ( 14.317 4.105 -14.309) 20.654 12.606 ( 8.183 2.750 -3.947) 9.492 13.055 ( 10.717 -1.553 -14.389) 18.009 13.290 ( 14.343 3.546 7.380) 16.516 13.386 ( 6.400 -0.322 -13.090) 14.574 13.760 ( 8.736 -7.983 2.106) 12.020 14.329 ( 1.048 7.571 -8.105) 11.140 14.655 ( -9.660 -0.675 -6.000) 11.392 15.022 ( -0.412 -0.986 -11.743) 11.791 15.295 ( -3.414 -3.308 20.161) 20.713 15.845 ( 0.018 8.952 -7.560) 11.718 16.032 ( -0.875 -3.779 -1.937) 4.335 16.059 ( -7.156 -5.558 0.428) 9.071 16.228 ( -7.152 -8.163 6.379) 12.589 16.572 ( 1.586 -3.189 -7.092) 7.936 16.943 ( 4.416 2.030 1.510) 5.089 17.077 ( 4.869 1.246 0.631) 5.066 17.580 ( 0.275 4.168 14.541) 15.129 17.652 ( 12.309 -0.789 -3.731) 12.887 17.765 ( 8.375 -0.373 1.217) 8.471 18.169 ( -9.307 4.954 -6.003) 12.132 18.267 ( 2.793 -2.934 -9.356) 10.195 18.772 ( -3.907 0.069 -13.118) 13.688 19.011 ( -11.448 0.576 5.427) 12.682 19.512 ( -5.349 0.762 19.466) 20.202 19.959 ( 10.597 -1.942 -1.004) 10.820 20.181 ( 4.442 -0.446 0.236) 4.470 20.214 ( 7.428 -1.020 -3.057) 8.097 20.593 ( 4.495 1.303 -2.390) 5.255 20.951 ( 6.297 1.760 -0.412) 6.552 21.005 ( 4.176 0.002 3.437) 5.409 21.146 ( -0.971 0.357 5.924) 6.013 21.235 ( -3.125 -2.879 -1.348) 4.458 21.329 ( -7.150 -0.744 1.458) 7.335 21.381 ( -5.796 -1.962 2.626) 6.658 21.568 ( 1.780 -2.696 5.269) 6.180 21.835 ( 0.119 -0.145 0.974) 0.992 21.984 ( 2.386 0.893 4.286) 4.986 22.091 ( -5.936 0.268 -23.999) 24.724 22.348 ( 4.023 -0.894 1.049) 4.253 22.547 ( 1.852 -1.678 -13.313) 13.545 22.701 ( -5.298 0.614 0.369) 5.346 22.947 ( 1.054 -0.469 -1.722) 2.073 23.370 ( -1.375 -0.316 10.871) 10.962 23.526 ( 2.550 0.551 10.321) 10.645 23.899 ( -4.266 1.018 1.270) 4.566 24.203 ( -1.028 0.667 10.186) 10.260 24.792 ( -9.165 -0.531 -0.131) 9.181 25.375 ( -0.207 0.533 -2.143) 2.218 25.391 ( -0.724 0.173 0.721) 1.036 25.511 ( -2.208 0.314 -5.945) 6.349 25.603 ( 4.582 1.000 -5.426) 7.172 25.785 ( 2.655 -0.017 0.328) 2.675 25.967 ( 0.307 -0.142 0.563) 0.657 26.054 ( -0.715 0.456 5.690) 5.753 26.162 ( 1.827 -1.350 2.348) 3.267 26.443 ( -0.554 -0.446 -9.671) 9.697 26.610 ( 0.800 -0.668 0.322) 1.091 26.676 ( 5.240 -0.282 1.503) 5.459 27.094 ( 0.863 -0.593 0.697) 1.258 27.118 ( -2.041 -0.886 -1.116) 2.489 27.196 ( -2.516 -0.797 -1.068) 2.847 27.480 ( 4.097 0.976 -1.416) 4.444 27.526 ( -3.124 -0.113 3.004) 4.336 27.674 ( 0.284 0.284 -1.326) 1.385 27.742 ( 1.681 -0.625 2.298) 2.915 28.011 ( 4.240 0.909 -1.449) 4.572 28.682 ( -5.331 0.193 0.339) 5.345 28.739 ( -3.480 -0.438 -0.403) 3.530 29.207 ( 4.005 -0.509 2.329) 4.661 29.468 ( 6.385 -0.391 -1.652) 6.607 ======================= Grid point 118 (47/100) ======================= q-point: (-0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.039 ( -23.433 8.941 6.181) 25.831 4.205 ( -9.636 -1.784 0.650) 9.821 4.911 ( -19.110 26.682 36.595) 49.157 5.312 ( -32.547 21.328 16.602) 42.306 5.545 ( -2.147 4.796 4.428) 6.871 5.649 ( 0.547 -2.357 0.423) 2.456 7.128 ( 3.488 8.145 -7.393) 11.540 7.720 ( 9.327 30.479 1.401) 31.905 8.066 ( -3.090 27.608 -7.050) 28.661 8.073 ( -17.526 15.413 -22.755) 32.596 8.748 ( 11.739 -6.414 -9.438) 16.371 8.966 ( -15.737 -3.542 -8.372) 18.174 9.121 ( -2.013 0.442 1.793) 2.731 9.235 ( 2.858 -4.829 5.158) 7.622 9.468 ( -1.817 -8.295 7.279) 11.184 9.889 ( -3.092 14.745 16.677) 22.475 10.336 ( 4.568 -0.068 -1.671) 4.864 10.397 ( -16.775 1.584 13.166) 21.384 10.478 ( -6.539 0.334 8.285) 10.560 10.745 ( -1.932 17.461 3.371) 17.888 11.125 ( -1.561 -3.197 -9.205) 9.869 11.425 ( 9.829 9.457 -1.325) 13.705 11.618 ( -5.076 -0.118 0.958) 5.167 12.118 ( 3.462 -5.213 9.978) 11.778 12.212 ( -3.382 19.496 -5.438) 20.521 12.408 ( 6.523 -32.211 5.406) 33.307 12.901 ( 12.359 -6.207 -17.528) 22.327 13.212 ( 6.165 1.931 -17.233) 18.404 13.370 ( 1.867 -1.061 -9.296) 9.540 13.558 ( 7.212 -4.533 3.209) 9.102 13.992 ( 7.871 -0.984 -10.088) 12.833 14.247 ( -2.982 1.912 -14.157) 14.593 14.513 ( -6.388 -1.336 -2.245) 6.901 15.026 ( -0.546 -1.715 -12.774) 12.900 15.297 ( -1.695 -6.226 19.347) 20.394 15.744 ( -1.293 7.582 -1.131) 7.774 16.075 ( 0.538 -5.648 6.655) 8.745 16.082 ( 1.629 -9.722 7.519) 12.398 16.255 ( -3.662 -12.995 -0.932) 13.533 16.610 ( -1.458 -4.959 -13.134) 14.114 17.038 ( 6.118 1.172 5.710) 8.451 17.143 ( 5.940 4.931 6.446) 10.058 17.522 ( 0.117 6.612 14.114) 15.586 17.834 ( -12.888 3.162 6.123) 14.615 17.861 ( 7.282 -0.050 -2.737) 7.780 17.903 ( 3.286 -0.505 -1.596) 3.688 18.390 ( 5.428 2.672 -11.999) 13.438 18.693 ( -4.179 -0.791 -11.880) 12.618 18.834 ( -6.846 0.339 6.360) 9.351 19.429 ( -2.346 1.946 16.344) 16.626 20.130 ( 5.993 -1.305 4.409) 7.554 20.248 ( 1.949 -0.104 -1.087) 2.234 20.313 ( 2.189 -1.437 0.422) 2.652 20.700 ( 6.690 -0.597 -5.418) 8.630 21.028 ( 4.428 1.817 -0.414) 4.804 21.072 ( 2.227 -1.423 0.048) 2.643 21.141 ( -0.983 -2.200 1.002) 2.610 21.228 ( -3.075 -4.450 0.593) 5.442 21.244 ( -1.958 -2.072 5.031) 5.783 21.311 ( -3.672 -1.627 2.367) 4.662 21.639 ( 1.738 -3.912 6.255) 7.580 21.844 ( 0.535 -0.560 -1.295) 1.509 21.964 ( -6.236 -0.185 -27.542) 28.239 22.019 ( 1.573 -0.137 4.640) 4.901 22.416 ( 1.722 -0.458 0.249) 1.799 22.593 ( 0.074 -1.676 -9.612) 9.758 22.633 ( -0.770 -0.542 -5.352) 5.434 22.964 ( 0.293 -0.243 -5.035) 5.049 23.355 ( -0.791 -1.028 14.293) 14.351 23.554 ( 1.417 1.712 9.261) 9.523 23.808 ( -3.246 2.915 0.062) 4.363 24.199 ( 1.347 0.224 17.437) 17.491 24.643 ( -7.426 -0.834 -3.278) 8.160 25.358 ( -0.561 1.446 -0.149) 1.558 25.379 ( -0.180 0.587 0.847) 1.046 25.479 ( -1.055 0.098 -6.139) 6.230 25.645 ( 2.229 2.970 -3.563) 5.146 25.828 ( 1.738 -0.071 0.965) 1.989 25.976 ( 0.430 0.376 1.362) 1.477 26.051 ( 0.030 -1.141 3.912) 4.075 26.204 ( 1.018 -1.842 1.521) 2.596 26.434 ( -1.028 -1.464 -10.756) 10.904 26.639 ( 0.831 -1.831 -0.798) 2.163 26.768 ( 3.892 -0.239 0.596) 3.944 27.098 ( -1.190 -1.572 -0.474) 2.028 27.125 ( 1.069 -1.421 -0.028) 1.778 27.171 ( -1.673 -1.726 -0.799) 2.533 27.473 ( -2.367 -0.196 4.225) 4.847 27.535 ( 3.183 1.945 -1.877) 4.176 27.669 ( -0.694 -0.142 -1.163) 1.361 27.774 ( 1.030 -0.762 2.428) 2.746 28.063 ( 2.703 1.775 -1.684) 3.646 28.604 ( -2.727 0.703 0.735) 2.911 28.701 ( -1.515 -1.034 -0.658) 1.949 29.273 ( 2.181 -1.078 2.654) 3.601 29.566 ( 3.500 -0.939 -1.833) 4.061 ======================= Grid point 119 (48/100) ======================= q-point: (-0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.599 ( 0.000 23.385 18.088) 29.565 4.127 ( -0.000 -1.625 0.425) 1.680 4.376 ( 0.000 41.095 50.802) 65.342 4.793 ( 0.000 16.733 9.887) 19.436 5.522 ( 0.000 2.614 1.766) 3.155 5.692 ( -0.000 -3.581 -1.001) 3.718 6.895 ( 0.000 55.022 -0.574) 55.025 7.433 ( 0.000 33.640 2.598) 33.741 7.625 ( 0.000 20.970 -33.674) 39.670 7.878 ( 0.000 13.077 -0.921) 13.109 8.812 ( -0.000 -13.167 6.555) 14.709 8.916 ( -0.000 -5.402 -18.402) 19.178 9.118 ( 0.000 9.396 4.578) 10.452 9.280 ( -0.000 -14.271 -5.675) 15.358 9.691 ( -0.000 -5.694 1.828) 5.980 9.827 ( 0.000 2.318 14.222) 14.409 10.025 ( 0.000 3.630 30.414) 30.630 10.338 ( 0.000 39.113 8.134) 39.950 10.438 ( -0.000 -2.654 -3.588) 4.463 10.551 ( -0.000 -5.951 -0.137) 5.953 11.105 ( -0.000 -1.529 3.085) 3.443 11.469 ( 0.000 5.279 -4.345) 6.838 11.646 ( -0.000 -5.303 -10.897) 12.119 11.803 ( 0.000 36.647 -13.560) 39.076 12.204 ( -0.000 -5.126 10.844) 11.995 12.849 ( -0.000 -31.104 4.283) 31.398 13.051 ( -0.000 -3.097 -25.367) 25.555 13.259 ( 0.000 0.327 -19.120) 19.123 13.423 ( -0.000 -0.124 -8.076) 8.077 13.682 ( -0.000 -6.078 6.162) 8.655 14.058 ( -0.000 -0.452 -13.416) 13.424 14.222 ( -0.000 -5.422 -17.875) 18.679 14.473 ( -0.000 -2.040 5.510) 5.875 15.041 ( -0.000 -2.588 -11.550) 11.836 15.349 ( -0.000 -6.227 13.959) 15.285 15.663 ( 0.000 5.801 2.174) 6.195 16.144 ( -0.000 -9.157 10.095) 13.630 16.267 ( -0.000 -10.901 13.447) 17.310 16.324 ( -0.000 -12.385 -3.109) 12.769 16.636 ( -0.000 -3.435 -14.205) 14.614 17.104 ( -0.000 -3.131 5.429) 6.267 17.139 ( 0.000 11.189 7.811) 13.646 17.465 ( 0.000 6.479 12.187) 13.802 17.631 ( 0.000 0.449 16.452) 16.458 17.946 ( -0.000 -1.751 -2.694) 3.213 17.952 ( 0.000 0.982 -4.046) 4.164 18.388 ( 0.000 6.245 -13.258) 14.655 18.668 ( -0.000 -2.072 -11.703) 11.885 18.766 ( 0.000 0.264 6.080) 6.086 19.383 ( 0.000 2.897 15.750) 16.014 20.195 ( -0.000 -0.319 6.847) 6.855 20.252 ( 0.000 1.620 -2.263) 2.783 20.352 ( -0.000 -2.915 1.337) 3.207 20.784 ( -0.000 -1.199 -6.006) 6.124 21.076 ( 0.000 0.674 0.770) 1.024 21.117 ( -0.000 -1.892 -2.305) 2.982 21.139 ( -0.000 -4.740 1.039) 4.852 21.240 ( -0.000 -5.105 -0.847) 5.175 21.256 ( -0.000 -0.604 -1.700) 1.804 21.303 ( -0.000 -3.656 11.353) 11.927 21.700 ( -0.000 -4.847 7.092) 8.590 21.868 ( -0.000 -1.834 -0.057) 1.835 21.895 ( 0.000 0.055 -32.355) 32.355 22.042 ( -0.000 -1.012 5.168) 5.266 22.428 ( -0.000 -0.112 0.265) 0.288 22.583 ( 0.000 1.247 -3.001) 3.250 22.670 ( -0.000 -4.267 -14.010) 14.646 22.964 ( 0.000 0.232 -6.761) 6.765 23.365 ( -0.000 -2.040 16.687) 16.811 23.540 ( 0.000 2.953 6.885) 7.492 23.736 ( 0.000 4.578 -1.102) 4.708 24.226 ( -0.000 -0.700 24.296) 24.306 24.572 ( -0.000 -0.865 -6.951) 7.005 25.335 ( 0.000 1.708 0.327) 1.739 25.368 ( 0.000 1.267 1.281) 1.802 25.468 ( 0.000 0.265 -5.538) 5.545 25.629 ( 0.000 3.861 -2.502) 4.601 25.844 ( 0.000 0.067 2.457) 2.458 25.970 ( 0.000 1.275 2.082) 2.441 26.074 ( -0.000 -2.816 1.333) 3.115 26.235 ( -0.000 -2.119 1.190) 2.430 26.443 ( -0.000 -2.057 -11.253) 11.439 26.671 ( -0.000 -2.736 -1.398) 3.072 26.808 ( -0.000 -0.265 -0.103) 0.285 27.107 ( -0.000 -2.242 -0.163) 2.248 27.162 ( -0.000 -1.529 1.844) 2.395 27.168 ( -0.000 -2.814 -3.506) 4.496 27.453 ( -0.000 -0.482 5.206) 5.229 27.543 ( 0.000 2.809 -1.983) 3.438 27.663 ( -0.000 -0.546 -0.649) 0.849 27.792 ( -0.000 -0.738 2.135) 2.259 28.067 ( 0.000 2.521 -1.572) 2.971 28.570 ( 0.000 0.935 1.037) 1.396 28.700 ( -0.000 -1.326 -0.878) 1.591 29.306 ( -0.000 -1.507 2.754) 3.139 29.610 ( -0.000 -1.363 -1.902) 2.340 ======================= Grid point 126 (49/100) ======================= q-point: (-0.56 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.125 ( -20.162 0.000 3.588) 20.479 4.181 ( -8.947 0.000 1.007) 9.003 5.194 ( -17.636 0.000 29.586) 34.443 5.502 ( -12.154 0.000 8.339) 14.739 5.588 ( 1.115 -0.000 -0.605) 1.268 5.699 ( -29.268 0.000 22.226) 36.750 7.152 ( 5.116 -0.000 -11.542) 12.625 7.994 ( 11.517 -0.000 5.701) 12.850 8.298 ( -18.061 0.000 -24.186) 30.185 8.425 ( 6.038 -0.000 -2.869) 6.685 8.617 ( 8.247 -0.000 -21.633) 23.152 8.974 ( -9.989 0.000 -8.538) 13.141 9.014 ( -6.408 0.000 -2.362) 6.829 9.229 ( -8.090 0.000 -2.725) 8.537 9.374 ( 8.417 -0.000 9.542) 12.724 10.236 ( -14.396 0.000 32.455) 35.505 10.237 ( 6.257 -0.000 -10.624) 12.329 10.357 ( 4.529 -0.000 -1.773) 4.863 10.664 ( -25.684 0.000 32.853) 41.701 10.946 ( 8.618 -0.000 -4.356) 9.657 11.063 ( 0.915 -0.000 -6.445) 6.510 11.464 ( -4.540 0.000 4.835) 6.632 11.693 ( -2.870 0.000 18.534) 18.754 11.731 ( 12.383 -0.000 -4.162) 13.063 12.076 ( 4.191 -0.000 9.887) 10.738 12.702 ( 10.814 -0.000 -22.998) 25.413 12.713 ( 3.616 -0.000 -1.860) 4.067 13.210 ( 8.462 -0.000 -16.767) 18.781 13.368 ( -3.604 0.000 -10.768) 11.355 13.495 ( 3.972 -0.000 6.518) 7.633 13.934 ( 12.599 -0.000 -13.633) 18.563 14.353 ( -1.971 0.000 -19.361) 19.461 14.482 ( -8.527 0.000 -3.077) 9.065 15.010 ( -0.258 0.000 -14.126) 14.129 15.213 ( -2.747 0.000 24.310) 24.465 15.911 ( 0.667 -0.000 -9.084) 9.109 15.934 ( -1.756 0.000 6.333) 6.572 16.036 ( 1.917 -0.000 2.914) 3.488 16.042 ( -6.485 0.000 7.090) 9.608 16.553 ( -1.117 0.000 -13.426) 13.473 17.045 ( 3.904 -0.000 6.396) 7.493 17.207 ( 9.370 -0.000 5.862) 11.053 17.598 ( 0.161 -0.000 15.316) 15.317 17.858 ( 7.476 -0.000 -2.540) 7.896 17.879 ( -17.490 0.000 5.853) 18.443 17.893 ( 6.537 -0.000 -3.401) 7.369 18.413 ( 7.501 -0.000 -11.759) 13.948 18.686 ( -5.009 0.000 -11.782) 12.803 18.837 ( -7.079 0.000 6.133) 9.366 19.449 ( -2.230 0.000 15.940) 16.095 20.114 ( 7.092 -0.000 3.975) 8.130 20.247 ( 2.838 -0.000 2.355) 3.688 20.297 ( 1.568 -0.000 -1.516) 2.181 20.690 ( 5.247 -0.000 -4.021) 6.610 21.053 ( 1.184 -0.000 -0.429) 1.259 21.057 ( 3.895 -0.000 -0.343) 3.910 21.131 ( -2.048 0.000 2.974) 3.611 21.162 ( -1.694 0.000 -1.325) 2.151 21.221 ( -2.639 0.000 8.338) 8.746 21.296 ( -2.962 0.000 -0.861) 3.085 21.596 ( 2.082 -0.000 5.199) 5.601 21.839 ( 0.273 -0.000 0.567) 0.630 21.962 ( -6.635 0.000 -29.623) 30.357 22.019 ( 1.172 -0.000 4.933) 5.070 22.410 ( 2.197 -0.000 0.635) 2.287 22.565 ( 1.124 -0.000 -13.601) 13.648 22.635 ( -2.045 0.000 -0.853) 2.216 22.962 ( 0.702 -0.000 -4.745) 4.797 23.344 ( -1.086 0.000 13.952) 13.994 23.572 ( 1.846 -0.000 10.675) 10.833 23.838 ( -2.832 0.000 0.189) 2.838 24.202 ( 0.753 -0.000 16.119) 16.137 24.634 ( -7.252 0.000 -3.050) 7.867 25.378 ( -0.612 0.000 2.426) 2.502 25.381 ( 0.243 -0.000 -1.926) 1.941 25.479 ( -1.194 0.000 -6.853) 6.956 25.679 ( 2.639 -0.000 -4.495) 5.212 25.827 ( 1.774 -0.000 -0.181) 1.784 25.971 ( 0.242 -0.000 0.375) 0.446 26.049 ( -0.138 0.000 7.692) 7.693 26.182 ( 1.005 -0.000 0.824) 1.300 26.418 ( -1.311 0.000 -10.806) 10.885 26.619 ( 0.600 -0.000 -0.637) 0.875 26.765 ( 3.968 -0.000 0.723) 4.034 27.082 ( -1.305 0.000 -0.355) 1.352 27.110 ( 0.966 -0.000 -0.442) 1.062 27.154 ( -1.561 0.000 0.042) 1.562 27.471 ( -2.460 0.000 4.033) 4.724 27.556 ( 3.401 -0.000 -2.452) 4.193 27.668 ( -0.941 0.000 -1.295) 1.601 27.765 ( 1.022 -0.000 2.915) 3.089 28.081 ( 2.709 -0.000 -1.890) 3.303 28.613 ( -2.498 0.000 0.570) 2.562 28.689 ( -1.655 0.000 -0.495) 1.727 29.261 ( 2.136 -0.000 2.674) 3.422 29.556 ( 3.412 -0.000 -1.837) 3.875 ======================= Grid point 128 (50/100) ======================= q-point: (-0.44 0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.878 ( 0.000 5.947 9.432) 11.150 4.100 ( -0.000 -0.903 0.846) 1.238 4.994 ( 0.000 17.263 47.206) 50.264 5.102 ( 0.000 9.835 13.240) 16.493 5.575 ( 0.000 2.676 1.509) 3.072 5.629 ( -0.000 -2.635 0.868) 2.774 7.220 ( -0.000 -0.165 -8.374) 8.376 7.980 ( 0.000 11.128 -32.993) 34.818 8.102 ( 0.000 17.328 -1.514) 17.394 8.461 ( 0.000 29.782 -10.690) 31.643 8.618 ( -0.000 -4.048 4.021) 5.706 8.767 ( -0.000 -9.199 -19.241) 21.327 8.987 ( -0.000 -11.605 -4.168) 12.331 9.201 ( -0.000 -1.465 0.269) 1.490 9.612 ( -0.000 -1.528 6.374) 6.554 10.062 ( 0.000 0.694 29.916) 29.924 10.127 ( 0.000 24.848 21.091) 32.592 10.383 ( -0.000 -1.169 6.952) 7.050 10.450 ( -0.000 -3.499 -2.222) 4.145 10.962 ( 0.000 18.060 4.806) 18.689 11.076 ( -0.000 -1.048 -6.528) 6.612 11.431 ( -0.000 -9.133 0.361) 9.140 11.649 ( 0.000 4.652 10.613) 11.588 12.043 ( -0.000 -29.345 6.411) 30.038 12.147 ( -0.000 -7.110 7.891) 10.622 12.509 ( 0.000 29.998 -10.993) 31.949 12.933 ( -0.000 -10.920 -17.237) 20.405 13.285 ( 0.000 2.709 -17.728) 17.934 13.362 ( -0.000 -4.134 -11.271) 12.005 13.539 ( -0.000 -5.973 6.329) 8.702 14.103 ( -0.000 -4.588 -25.886) 26.289 14.246 ( 0.000 11.844 -17.955) 21.510 14.421 ( -0.000 -4.008 0.832) 4.093 15.012 ( -0.000 -0.583 -13.918) 13.930 15.215 ( -0.000 -5.181 23.679) 24.239 15.824 ( 0.000 9.936 -2.697) 10.296 15.981 ( -0.000 -5.040 16.629) 17.376 16.059 ( -0.000 -12.821 -6.882) 14.552 16.084 ( -0.000 -5.608 6.505) 8.589 16.554 ( -0.000 -2.901 -15.889) 16.151 17.078 ( -0.000 -0.175 7.594) 7.596 17.324 ( 0.000 5.528 6.173) 8.287 17.598 ( 0.000 4.324 12.371) 13.105 17.640 ( 0.000 0.283 16.736) 16.739 17.920 ( -0.000 -0.714 -2.219) 2.331 17.968 ( 0.000 0.414 -4.509) 4.528 18.483 ( 0.000 2.618 -13.550) 13.801 18.629 ( -0.000 -1.301 -11.102) 11.178 18.770 ( 0.000 0.089 5.354) 5.355 19.424 ( 0.000 1.045 15.038) 15.074 20.190 ( -0.000 -0.131 6.241) 6.243 20.268 ( 0.000 0.807 0.784) 1.125 20.309 ( -0.000 -1.761 1.339) 2.212 20.753 ( -0.000 -1.199 -4.584) 4.738 21.066 ( -0.000 -1.783 0.547) 1.865 21.089 ( 0.000 0.239 0.786) 0.822 21.107 ( 0.000 0.163 -3.770) 3.774 21.163 ( -0.000 -2.130 -0.712) 2.246 21.217 ( -0.000 -1.781 12.344) 12.472 21.270 ( -0.000 -0.487 -1.655) 1.725 21.627 ( -0.000 -2.007 5.566) 5.916 21.844 ( -0.000 -0.573 0.257) 0.628 21.894 ( -0.000 -0.052 -32.174) 32.174 22.031 ( -0.000 -0.170 5.266) 5.268 22.426 ( -0.000 -0.021 0.483) 0.483 22.583 ( -0.000 -1.109 -12.339) 12.388 22.621 ( -0.000 -0.310 -3.470) 3.484 22.968 ( 0.000 0.118 -6.481) 6.482 23.337 ( -0.000 -0.711 15.815) 15.831 23.584 ( 0.000 1.149 9.658) 9.726 23.802 ( 0.000 1.732 -0.358) 1.769 24.217 ( -0.000 -0.189 21.655) 21.656 24.560 ( -0.000 -0.300 -6.513) 6.520 25.366 ( 0.000 1.127 1.807) 2.130 25.383 ( 0.000 0.191 -0.586) 0.617 25.469 ( -0.000 -0.086 -6.842) 6.843 25.693 ( 0.000 1.944 -3.676) 4.158 25.844 ( 0.000 0.003 0.093) 0.093 25.977 ( -0.000 -0.614 0.417) 0.742 26.047 ( 0.000 0.124 6.994) 6.995 26.198 ( -0.000 -1.213 0.676) 1.388 26.409 ( -0.000 -0.972 -11.284) 11.326 26.631 ( -0.000 -1.090 -1.114) 1.559 26.804 ( -0.000 -0.091 0.379) 0.390 27.074 ( -0.000 -0.878 -0.066) 0.880 27.126 ( -0.000 -1.118 -3.017) 3.217 27.141 ( -0.000 -0.523 2.147) 2.210 27.447 ( -0.000 -0.131 4.732) 4.733 27.588 ( 0.000 1.289 -3.059) 3.320 27.654 ( -0.000 -0.285 -0.718) 0.772 27.777 ( -0.000 -0.520 2.937) 2.983 28.102 ( 0.000 0.919 -1.982) 2.185 28.587 ( 0.000 0.589 0.719) 0.929 28.678 ( -0.000 -0.704 -0.586) 0.916 29.284 ( -0.000 -0.594 2.790) 2.852 29.590 ( -0.000 -0.544 -1.902) 1.978 ======================= Grid point 170 (51/100) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.917 ( 0.000 0.000 63.815) 63.815 2.946 ( 0.000 0.000 72.039) 72.039 4.145 ( 0.000 0.000 -6.381) 6.381 4.464 ( 0.000 0.000 9.362) 9.362 5.326 ( 0.000 0.000 98.831) 98.831 5.488 ( 0.000 0.000 6.881) 6.881 5.604 ( 0.000 0.000 -28.392) 28.392 5.760 ( 0.000 0.000 -12.339) 12.339 5.867 ( 0.000 0.000 -44.680) 44.680 8.096 ( 0.000 0.000 19.436) 19.436 8.405 ( 0.000 0.000 -7.755) 7.755 8.735 ( 0.000 0.000 22.126) 22.126 9.224 ( 0.000 0.000 -1.801) 1.801 9.357 ( 0.000 0.000 -17.614) 17.614 9.499 ( 0.000 0.000 -3.415) 3.415 9.700 ( 0.000 0.000 6.081) 6.081 9.797 ( 0.000 0.000 -45.767) 45.767 9.862 ( 0.000 0.000 -4.715) 4.715 10.251 ( 0.000 0.000 7.653) 7.653 10.480 ( 0.000 0.000 -17.590) 17.590 10.766 ( 0.000 0.000 19.724) 19.724 11.147 ( 0.000 0.000 2.452) 2.452 11.169 ( 0.000 0.000 -4.708) 4.708 11.557 ( 0.000 0.000 -5.291) 5.291 11.865 ( 0.000 0.000 -25.545) 25.545 12.350 ( 0.000 0.000 -44.846) 44.846 12.826 ( 0.000 0.000 3.700) 3.700 13.004 ( 0.000 0.000 -8.066) 8.066 13.891 ( 0.000 0.000 4.753) 4.753 14.150 ( 0.000 0.000 -8.042) 8.042 14.288 ( 0.000 0.000 17.898) 17.898 14.786 ( 0.000 0.000 16.354) 16.354 14.933 ( 0.000 0.000 -2.109) 2.109 15.147 ( 0.000 0.000 5.253) 5.253 15.454 ( 0.000 0.000 -7.200) 7.200 15.836 ( 0.000 0.000 10.504) 10.504 16.239 ( 0.000 0.000 -19.260) 19.260 16.307 ( 0.000 0.000 -4.844) 4.844 16.579 ( 0.000 0.000 18.694) 18.694 16.995 ( 0.000 0.000 10.582) 10.582 17.153 ( 0.000 0.000 22.458) 22.458 17.450 ( 0.000 0.000 2.470) 2.470 17.689 ( 0.000 0.000 -17.912) 17.912 17.778 ( 0.000 0.000 -10.115) 10.115 17.853 ( 0.000 0.000 6.194) 6.194 17.902 ( 0.000 0.000 6.193) 6.193 18.004 ( 0.000 0.000 -3.503) 3.503 18.402 ( 0.000 0.000 -17.160) 17.160 19.119 ( 0.000 0.000 29.250) 29.250 19.648 ( 0.000 0.000 20.246) 20.246 19.965 ( 0.000 0.000 -0.375) 0.375 20.303 ( 0.000 0.000 -6.079) 6.079 20.561 ( 0.000 0.000 0.269) 0.269 20.772 ( 0.000 0.000 -4.347) 4.347 21.073 ( 0.000 0.000 -0.465) 0.465 21.143 ( 0.000 0.000 2.024) 2.024 21.221 ( 0.000 0.000 -23.738) 23.738 21.247 ( 0.000 0.000 -3.623) 3.623 21.452 ( 0.000 0.000 0.831) 0.831 21.461 ( 0.000 0.000 -0.443) 0.443 21.657 ( 0.000 0.000 4.182) 4.182 21.864 ( 0.000 0.000 -3.180) 3.180 22.152 ( 0.000 0.000 7.592) 7.592 22.216 ( 0.000 0.000 4.859) 4.859 22.438 ( 0.000 0.000 1.815) 1.815 22.461 ( 0.000 0.000 -2.957) 2.957 22.550 ( 0.000 0.000 -10.948) 10.948 22.754 ( 0.000 0.000 -11.423) 11.423 23.415 ( 0.000 0.000 0.352) 0.352 23.442 ( 0.000 0.000 -0.196) 0.196 23.824 ( 0.000 0.000 15.087) 15.087 24.404 ( 0.000 0.000 -13.181) 13.181 24.841 ( 0.000 0.000 24.128) 24.128 25.244 ( 0.000 0.000 -2.459) 2.459 25.416 ( 0.000 0.000 1.637) 1.637 25.425 ( 0.000 0.000 10.554) 10.554 25.471 ( 0.000 0.000 -1.100) 1.100 25.894 ( 0.000 0.000 5.136) 5.136 26.014 ( 0.000 0.000 2.337) 2.337 26.203 ( 0.000 0.000 -20.105) 20.105 26.210 ( 0.000 0.000 -0.801) 0.801 26.269 ( 0.000 0.000 -2.682) 2.682 26.761 ( 0.000 0.000 -3.800) 3.800 26.771 ( 0.000 0.000 -2.325) 2.325 27.231 ( 0.000 0.000 -0.849) 0.849 27.234 ( 0.000 0.000 -0.366) 0.366 27.299 ( 0.000 0.000 1.800) 1.800 27.392 ( 0.000 0.000 -1.902) 1.902 27.597 ( 0.000 0.000 2.860) 2.860 27.655 ( 0.000 0.000 -0.522) 0.522 27.846 ( 0.000 0.000 2.757) 2.757 27.925 ( 0.000 0.000 -0.851) 0.851 28.589 ( 0.000 0.000 2.977) 2.977 28.713 ( 0.000 0.000 -2.693) 2.693 29.453 ( 0.000 0.000 4.255) 4.255 29.623 ( 0.000 0.000 -3.540) 3.540 ======================= Grid point 171 (52/100) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.297 ( 25.393 -18.661 60.471) 68.190 3.452 ( 41.229 -14.235 50.258) 66.545 4.264 ( 12.214 -0.204 -2.913) 12.558 4.736 ( 24.546 -0.784 5.434) 25.152 5.468 ( -1.065 -1.551 12.842) 12.979 5.623 ( 19.020 -11.407 18.547) 28.912 5.743 ( -0.825 1.218 -5.766) 5.951 5.852 ( 23.454 -10.703 34.496) 43.065 6.166 ( 27.694 -8.416 -47.166) 55.339 8.077 ( 0.112 3.582 16.705) 17.085 8.466 ( 0.743 -7.050 -3.710) 8.002 8.788 ( -3.359 -8.982 15.771) 18.457 9.193 ( 1.674 5.261 -6.636) 8.632 9.282 ( -5.948 -3.926 -5.489) 8.996 9.685 ( 15.689 -0.690 -8.970) 18.085 9.707 ( -2.281 -6.618 1.957) 7.268 9.907 ( 7.525 -4.185 -27.020) 28.359 9.999 ( 10.367 -5.481 -9.990) 15.405 10.292 ( 7.728 1.867 5.665) 9.762 10.506 ( 4.256 1.010 -12.660) 13.394 10.841 ( 7.344 -0.043 9.260) 11.819 11.118 ( 0.978 2.913 0.607) 3.132 11.229 ( 1.322 -7.051 -2.586) 7.626 11.543 ( 0.989 4.088 -5.832) 7.191 11.870 ( -1.981 -3.394 -24.234) 24.551 12.250 ( -10.271 0.477 -37.367) 38.756 12.707 ( -8.154 1.502 2.241) 8.589 12.885 ( -12.225 -2.335 -6.346) 13.971 13.982 ( 6.402 3.972 3.572) 8.338 14.143 ( -1.962 5.593 0.085) 5.928 14.240 ( 1.022 2.713 14.621) 14.906 14.730 ( 0.228 8.688 9.696) 13.022 14.945 ( -1.607 -2.210 3.230) 4.231 15.151 ( 1.666 1.821 4.331) 4.984 15.461 ( -0.186 -1.986 -7.404) 7.668 15.826 ( -0.711 0.349 12.268) 12.293 16.149 ( -7.384 0.396 -19.202) 20.577 16.223 ( -8.595 -3.061 -2.178) 9.380 16.661 ( 6.048 -0.443 13.079) 14.416 16.998 ( 1.055 3.529 9.798) 10.468 17.074 ( -6.985 -1.036 20.209) 21.407 17.458 ( 0.948 2.591 4.729) 5.476 17.591 ( -10.596 1.562 -12.683) 16.601 17.721 ( -5.326 2.597 0.626) 5.958 17.792 ( -1.723 -2.323 -5.410) 6.135 17.964 ( -3.992 -1.052 -2.716) 4.942 17.993 ( 5.968 -0.143 5.308) 7.988 18.447 ( 3.968 0.327 -18.814) 19.231 19.084 ( -3.058 0.094 23.263) 23.464 19.716 ( 6.433 -0.694 21.055) 22.027 19.970 ( -0.905 -2.327 -1.956) 3.172 20.226 ( -7.932 0.745 -10.138) 12.894 20.533 ( -1.883 2.581 -0.011) 3.195 20.641 ( -10.569 1.464 -1.908) 10.839 21.033 ( -3.907 0.146 0.022) 3.910 21.148 ( -0.165 -0.864 1.080) 1.393 21.195 ( -3.837 0.489 -4.861) 6.213 21.288 ( 4.554 0.234 -14.813) 15.499 21.465 ( 1.675 1.761 0.898) 2.591 21.487 ( 3.864 0.898 0.691) 4.027 21.696 ( 4.860 1.434 0.679) 5.113 21.865 ( -0.075 -0.540 -2.591) 2.648 22.125 ( -1.743 1.901 7.344) 7.783 22.192 ( -2.311 0.500 5.289) 5.793 22.417 ( -2.806 -0.083 0.243) 2.818 22.488 ( 3.010 -0.132 -1.564) 3.395 22.512 ( -2.691 0.344 -9.862) 10.228 22.797 ( 3.692 0.021 -11.826) 12.389 23.433 ( 0.930 -1.141 1.212) 1.907 23.449 ( -0.172 -2.450 0.735) 2.564 23.874 ( 5.506 0.790 13.485) 14.587 24.394 ( -0.838 0.367 -8.655) 8.703 24.849 ( 1.271 0.473 19.485) 19.532 25.250 ( 0.448 -0.276 -2.797) 2.846 25.415 ( -0.084 0.347 2.074) 2.105 25.434 ( 0.573 -0.366 8.256) 8.284 25.481 ( 0.825 -0.637 -0.813) 1.322 25.844 ( -5.105 -0.747 1.113) 5.278 26.019 ( 0.967 0.953 3.181) 3.459 26.192 ( -0.698 1.651 -3.936) 4.324 26.217 ( 0.276 -0.733 -7.489) 7.530 26.281 ( 1.539 0.407 -7.247) 7.419 26.736 ( -1.982 0.957 -2.752) 3.524 26.751 ( -2.296 -0.315 -2.431) 3.359 27.208 ( -1.345 1.129 -0.537) 1.836 27.221 ( -1.214 0.416 -0.903) 1.569 27.314 ( 1.726 0.998 1.597) 2.555 27.391 ( -0.369 -0.597 -1.151) 1.348 27.590 ( -0.431 0.380 2.525) 2.590 27.646 ( -1.128 -0.180 -0.921) 1.468 27.840 ( -0.657 -0.101 2.570) 2.654 27.911 ( -1.756 -0.623 -0.487) 1.926 28.615 ( 2.854 -0.007 2.487) 3.785 28.723 ( 1.270 0.238 -2.411) 2.735 29.423 ( -2.875 0.550 4.021) 4.974 29.584 ( -3.903 0.480 -3.345) 5.163 ======================= Grid point 172 (53/100) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.085 ( 32.508 -22.090 37.791) 54.524 4.333 ( 33.257 -8.795 17.753) 38.711 4.588 ( 23.225 -4.435 9.620) 25.527 5.290 ( 33.084 -6.021 23.967) 41.294 5.437 ( -3.126 -0.835 5.817) 6.656 5.682 ( -3.790 1.756 -5.405) 6.830 6.077 ( 18.869 -10.276 -36.559) 42.405 6.795 ( 54.461 -21.171 65.794) 87.995 6.955 ( 42.441 -15.603 -36.472) 58.094 8.041 ( 1.076 4.272 13.430) 14.135 8.465 ( -8.483 -0.867 4.954) 9.862 8.715 ( -6.725 -0.218 -2.591) 7.210 9.052 ( -14.126 -6.644 -0.893) 15.636 9.432 ( 8.954 -10.085 3.415) 13.912 9.726 ( -3.813 -6.626 1.626) 7.816 9.969 ( 11.744 0.103 -8.098) 14.266 10.091 ( 7.153 -0.508 -8.605) 11.201 10.220 ( 3.684 -13.517 -14.963) 20.498 10.603 ( 24.436 1.041 -3.113) 24.655 10.653 ( 14.901 5.202 -5.204) 16.619 10.980 ( 7.196 0.413 -7.488) 10.393 11.192 ( 7.758 -5.290 4.416) 10.376 11.410 ( 10.198 -9.463 -8.501) 16.304 11.521 ( 4.049 6.219 -3.517) 8.212 11.822 ( -6.540 -1.918 -20.586) 21.684 12.101 ( -4.390 -7.015 -19.636) 21.308 12.530 ( -14.036 -5.130 -1.207) 14.993 12.679 ( -9.830 1.410 -9.265) 13.581 13.848 ( -10.380 17.628 10.397) 22.947 13.939 ( -7.572 12.469 9.075) 17.180 14.295 ( 0.103 -1.716 11.510) 11.638 14.665 ( 3.109 8.816 2.042) 9.569 14.905 ( -3.210 0.001 10.930) 11.392 15.179 ( 4.473 3.771 2.640) 6.418 15.489 ( 0.168 -3.442 -7.646) 8.387 15.810 ( -0.257 0.885 10.625) 10.665 16.026 ( -5.444 -0.494 -21.012) 21.711 16.101 ( -8.165 -3.962 -2.026) 9.298 16.719 ( -2.437 -1.265 10.704) 11.050 16.915 ( -1.813 6.440 11.870) 13.626 17.006 ( -1.441 3.789 5.493) 6.827 17.340 ( -12.445 2.660 -7.122) 14.584 17.362 ( -8.767 2.899 6.434) 11.254 17.629 ( -1.557 -1.008 4.140) 4.537 17.769 ( -5.882 -2.548 -0.310) 6.417 17.911 ( -2.121 -3.310 -7.828) 8.759 18.129 ( 8.135 -0.351 5.981) 10.103 18.503 ( 2.743 1.458 -19.268) 19.517 19.037 ( -1.750 -0.797 11.333) 11.495 19.857 ( 4.897 -0.368 13.197) 14.081 19.914 ( -8.954 -0.312 -13.035) 15.817 20.075 ( -3.590 -1.841 -1.971) 4.490 20.420 ( -8.153 2.778 1.502) 8.744 20.455 ( -5.901 2.431 1.029) 6.465 20.944 ( -4.660 0.805 2.697) 5.444 21.106 ( -4.964 0.499 -0.220) 4.994 21.162 ( 1.223 -0.669 0.385) 1.446 21.346 ( 2.515 1.625 -6.993) 7.607 21.502 ( 4.022 0.515 1.385) 4.285 21.562 ( 5.038 1.011 0.142) 5.141 21.770 ( 4.378 2.795 -1.245) 5.342 21.886 ( 2.122 -0.992 -3.176) 3.946 22.058 ( -2.433 3.385 6.380) 7.621 22.127 ( -3.939 0.577 6.118) 7.299 22.350 ( -4.548 -0.462 0.283) 4.580 22.442 ( -3.217 0.780 -9.926) 10.464 22.582 ( 5.442 -0.956 -1.217) 5.658 22.860 ( 3.121 0.658 -11.348) 11.788 23.460 ( 0.351 -2.459 3.702) 4.458 23.495 ( 1.673 -2.655 1.236) 3.373 23.992 ( 7.908 0.993 10.813) 13.433 24.365 ( -1.801 0.474 0.659) 1.976 24.886 ( 3.291 0.103 9.556) 10.107 25.265 ( 0.720 -0.464 -3.874) 3.968 25.397 ( -1.242 1.223 1.987) 2.643 25.443 ( -0.269 -0.304 2.971) 2.999 25.517 ( 2.186 -0.766 0.459) 2.361 25.750 ( -5.816 -1.573 -3.211) 6.827 26.027 ( 1.492 1.965 4.776) 5.375 26.153 ( -1.602 1.646 -0.368) 2.326 26.222 ( -0.622 -1.070 -2.302) 2.614 26.305 ( 1.466 1.088 -8.568) 8.760 26.679 ( -2.936 0.910 -1.846) 3.585 26.700 ( -3.251 -0.043 -2.368) 4.022 27.171 ( -1.284 1.171 -0.510) 1.811 27.187 ( -1.735 0.521 -1.218) 2.183 27.332 ( 1.794 1.842 1.750) 3.110 27.390 ( -0.433 -0.453 -0.040) 0.628 27.579 ( -0.570 -0.213 1.456) 1.578 27.621 ( -1.717 -0.306 -1.479) 2.287 27.826 ( -0.770 0.215 2.058) 2.208 27.878 ( -2.690 -0.958 0.041) 2.856 28.692 ( 5.470 0.019 1.322) 5.628 28.758 ( 2.932 0.317 -1.620) 3.365 29.340 ( -5.339 0.906 3.423) 6.406 29.476 ( -7.078 0.681 -2.838) 7.656 ======================= Grid point 173 (54/100) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.687 ( 17.266 -5.563 7.435) 19.604 4.815 ( 20.086 -0.077 -0.393) 20.090 5.258 ( 24.770 -13.982 19.230) 34.334 5.373 ( 1.690 -5.599 8.822) 10.585 5.578 ( -4.133 0.829 -2.488) 4.894 6.082 ( 38.926 -14.077 37.213) 55.661 6.498 ( 15.882 -6.188 -25.150) 30.382 7.607 ( 12.561 -0.967 -0.842) 12.626 7.919 ( 12.408 -1.097 -10.529) 16.310 8.241 ( 8.935 -1.262 -5.068) 10.349 8.354 ( 31.561 -21.761 28.011) 47.479 8.547 ( -0.708 4.730 8.315) 9.592 8.979 ( -1.330 -8.333 4.085) 9.375 9.625 ( -0.104 -6.118 5.361) 8.135 9.748 ( 2.113 -8.531 -3.733) 9.549 10.058 ( -0.976 1.751 -3.210) 3.785 10.136 ( -1.948 0.376 -8.621) 8.846 10.450 ( 7.518 -9.758 -12.530) 17.572 10.810 ( 6.998 6.874 -1.343) 9.901 10.906 ( 10.506 3.715 -4.347) 11.961 11.155 ( 2.949 -13.487 -13.876) 19.575 11.396 ( 2.908 2.272 -12.447) 12.982 11.524 ( 9.654 1.250 -2.603) 10.077 11.758 ( 0.357 -3.275 -11.795) 12.247 11.925 ( 21.570 -14.803 4.024) 26.468 12.233 ( -0.419 -1.224 -0.978) 1.621 12.417 ( 5.461 -13.074 -11.954) 18.537 12.491 ( -6.344 0.021 -8.090) 10.281 13.366 ( -17.832 19.123 16.193) 30.755 13.592 ( -11.986 17.659 6.697) 22.368 14.205 ( -8.422 3.211 17.949) 20.085 14.576 ( -8.178 6.570 3.512) 11.063 14.899 ( 3.645 -0.973 12.309) 12.874 15.212 ( 3.363 6.106 4.218) 8.147 15.526 ( -0.798 -4.581 -5.023) 6.845 15.781 ( -2.025 2.523 5.141) 6.075 15.970 ( -1.008 -0.090 -17.059) 17.089 16.027 ( -2.762 -2.703 -7.848) 8.748 16.656 ( -2.852 -1.310 8.534) 9.093 16.779 ( -4.259 10.441 0.793) 11.304 16.868 ( -7.724 6.378 -2.900) 10.429 17.127 ( -8.901 1.577 -4.063) 9.911 17.219 ( -3.542 -1.926 5.714) 6.993 17.566 ( -10.693 -1.688 -0.396) 10.833 17.735 ( 2.499 -4.148 6.251) 7.908 17.931 ( -0.217 -2.339 -3.439) 4.165 18.285 ( 7.801 -0.923 4.933) 9.276 18.519 ( 0.456 0.830 -14.743) 14.773 19.051 ( 2.124 -1.719 -0.702) 2.821 19.616 ( -15.015 2.374 -20.748) 25.721 19.971 ( 2.234 -0.766 8.930) 9.237 20.089 ( 0.215 -0.501 -0.527) 0.758 20.262 ( -6.360 -0.742 4.366) 7.750 20.331 ( -4.263 3.104 -0.198) 5.277 20.871 ( -1.489 1.388 7.386) 7.661 21.012 ( -4.600 0.527 3.425) 5.760 21.212 ( 3.455 -0.694 1.012) 3.666 21.358 ( 1.421 2.399 -0.923) 2.937 21.585 ( 3.452 -1.685 1.913) 4.291 21.640 ( 4.016 0.284 0.025) 4.026 21.801 ( 2.434 1.793 3.645) 4.736 21.948 ( 3.265 0.636 -6.072) 6.924 21.976 ( -2.087 3.903 4.450) 6.276 22.047 ( -4.087 0.250 5.906) 7.187 22.274 ( -3.979 -0.862 -0.407) 4.091 22.375 ( -3.497 0.617 -8.766) 9.458 22.697 ( 5.552 -1.286 -2.593) 6.261 22.889 ( 0.996 1.251 -9.366) 9.501 23.496 ( 0.876 -2.141 4.822) 5.348 23.543 ( 0.751 -1.740 2.547) 3.174 24.126 ( 7.496 1.154 8.968) 11.745 24.326 ( -2.242 -0.379 6.978) 7.339 24.969 ( 5.304 -0.565 1.186) 5.464 25.276 ( -0.504 0.144 -5.961) 5.984 25.348 ( -2.207 0.726 1.267) 2.646 25.426 ( -1.333 0.627 -1.099) 1.838 25.568 ( 2.563 -0.387 0.447) 2.630 25.680 ( -3.794 -2.022 -3.484) 5.533 26.032 ( 1.548 2.547 5.547) 6.296 26.105 ( -2.215 0.762 1.895) 3.012 26.224 ( -0.058 -0.871 -1.031) 1.351 26.304 ( -0.497 0.839 -5.436) 5.523 26.620 ( -2.380 0.650 -2.057) 3.212 26.641 ( -2.854 0.281 -2.524) 3.820 27.142 ( -0.762 0.683 -0.425) 1.108 27.154 ( -1.344 0.308 -0.881) 1.636 27.343 ( 1.618 1.973 2.009) 3.247 27.382 ( -0.840 -0.268 0.840) 1.218 27.574 ( -0.506 -0.795 -0.023) 0.942 27.595 ( -1.293 -0.244 -1.788) 2.220 27.810 ( -0.343 0.774 1.465) 1.692 27.838 ( -2.592 -1.087 0.454) 2.847 28.811 ( 7.485 0.078 0.070) 7.486 28.826 ( 4.849 0.163 -0.556) 4.884 29.217 ( -6.854 0.934 2.632) 7.401 29.321 ( -8.973 0.521 -2.168) 9.246 ======================= Grid point 174 (55/100) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.975 ( 12.275 -0.415 3.459) 12.760 5.092 ( 7.102 -0.507 -2.329) 7.491 5.231 ( -2.398 -0.157 3.540) 4.278 5.379 ( -9.982 0.928 -3.624) 10.660 6.141 ( 29.797 -18.006 15.867) 38.260 6.635 ( -5.363 7.233 -2.997) 9.490 6.900 ( 32.453 -14.093 27.874) 45.042 7.477 ( -19.237 3.102 15.168) 24.693 7.797 ( 6.051 14.722 -9.646) 18.612 8.002 ( -22.525 -3.840 -1.679) 22.912 8.904 ( 18.542 -7.189 -6.614) 20.958 9.040 ( 3.972 -1.146 -5.866) 7.176 9.308 ( 20.811 -8.998 1.127) 22.701 9.703 ( -8.128 1.761 -8.075) 11.592 9.901 ( 10.699 3.026 -3.009) 11.519 10.033 ( -4.848 -4.752 -5.819) 8.941 10.123 ( 19.645 -9.809 5.900) 22.737 10.569 ( -6.583 -1.086 -4.914) 8.286 10.870 ( 5.291 -4.212 5.490) 8.711 10.996 ( 4.292 6.220 -0.025) 7.558 11.243 ( -5.891 -12.294 -10.645) 17.296 11.359 ( -5.866 5.680 -12.362) 14.815 11.627 ( 2.364 -2.929 -0.495) 3.796 11.734 ( -4.330 7.117 3.729) 9.127 12.062 ( -3.886 -6.871 -8.465) 11.574 12.173 ( -4.782 7.963 -3.459) 9.912 12.639 ( 16.006 -7.401 -1.100) 17.668 12.840 ( 4.450 -3.642 -6.410) 8.611 13.108 ( 7.421 0.166 12.751) 14.754 13.272 ( -2.672 8.098 4.038) 9.435 14.002 ( -4.212 2.698 19.614) 20.242 14.230 ( -19.297 7.207 11.399) 23.543 15.016 ( 5.377 -3.734 9.063) 11.180 15.150 ( -2.544 6.946 7.498) 10.533 15.575 ( 1.167 -5.824 -2.205) 6.336 15.683 ( -3.690 5.213 0.301) 6.394 15.987 ( 3.663 2.136 -12.041) 12.765 16.026 ( -2.691 -3.403 -12.314) 13.056 16.624 ( -2.971 2.153 -0.039) 3.669 16.635 ( -2.358 3.615 -0.493) 4.344 16.759 ( 5.713 0.821 -4.658) 7.417 16.939 ( -10.678 1.026 -5.633) 12.116 17.244 ( 3.696 -1.126 0.849) 3.956 17.371 ( -10.021 -0.764 -2.399) 10.332 17.850 ( 4.438 -2.795 7.090) 8.819 17.925 ( -2.105 -0.066 3.137) 3.778 18.419 ( 5.568 -0.855 0.399) 5.648 18.499 ( -2.426 0.269 -7.145) 7.551 19.155 ( 6.882 -2.429 -9.863) 12.270 19.347 ( -11.202 2.755 -16.069) 19.781 19.994 ( -0.007 -1.857 1.478) 2.373 20.039 ( -2.101 3.378 -1.837) 4.382 20.226 ( -1.756 -3.978 2.682) 5.109 20.253 ( -0.888 3.120 0.245) 3.253 20.871 ( 2.532 0.948 9.421) 9.801 20.929 ( -4.004 0.057 6.893) 7.971 21.292 ( 3.826 -0.889 2.205) 4.505 21.348 ( -0.742 1.493 1.761) 2.425 21.645 ( 0.573 -3.384 4.006) 5.275 21.678 ( 0.894 2.483 4.880) 5.548 21.850 ( 4.144 0.158 3.759) 5.597 21.917 ( -1.707 1.553 3.063) 3.836 21.966 ( -0.663 -0.297 -1.562) 1.723 21.983 ( -1.528 1.521 -0.466) 2.206 22.249 ( 0.598 -1.066 -3.488) 3.696 22.302 ( -3.496 0.731 -6.904) 7.773 22.801 ( 4.052 -1.520 -4.498) 6.242 22.869 ( -1.609 1.536 -6.823) 7.176 23.531 ( 1.031 -1.153 4.890) 5.129 23.553 ( -0.598 -0.146 4.061) 4.108 24.231 ( 5.277 1.487 8.311) 9.956 24.290 ( -3.012 -1.405 8.378) 9.013 25.083 ( 6.133 -1.040 -3.070) 6.937 25.204 ( -5.386 1.410 -4.692) 7.281 25.347 ( 1.099 -1.204 -2.176) 2.719 25.387 ( -1.637 1.300 -2.907) 3.581 25.613 ( 2.304 0.468 -0.492) 2.402 25.644 ( -2.390 -1.478 -1.831) 3.354 26.038 ( 1.859 2.030 5.038) 5.741 26.062 ( -2.256 -0.632 3.683) 4.365 26.241 ( 1.201 -0.540 -0.960) 1.629 26.275 ( -1.756 0.421 -2.348) 2.962 26.588 ( -0.446 0.356 -2.749) 2.808 26.597 ( -1.539 0.114 -2.821) 3.215 27.130 ( -0.114 0.166 -0.295) 0.357 27.134 ( -0.596 0.120 -0.421) 0.739 27.354 ( 1.509 1.545 1.956) 2.914 27.367 ( -1.291 -0.811 1.552) 2.175 27.575 ( -0.255 -0.670 -1.220) 1.415 27.580 ( -0.401 0.180 -1.760) 1.815 27.801 ( 0.567 1.137 1.035) 1.639 27.810 ( -1.694 -1.192 0.742) 2.200 28.929 ( 6.093 -0.175 0.391) 6.108 28.954 ( 7.357 0.064 -0.900) 7.412 29.084 ( -5.712 0.616 1.715) 5.996 29.148 ( -9.110 0.169 -1.330) 9.208 ======================= Grid point 180 (56/100) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.831 ( 40.744 -0.000 48.526) 63.362 4.228 ( 42.359 -0.000 26.549) 49.991 4.559 ( 19.854 -0.000 4.254) 20.304 5.243 ( 28.474 -0.000 16.038) 32.680 5.429 ( -1.219 0.000 5.361) 5.498 5.703 ( -3.963 0.000 -5.825) 7.045 5.979 ( 24.509 -0.000 -33.636) 41.618 6.560 ( 57.339 -0.000 73.364) 93.114 6.784 ( 42.179 -0.000 -42.815) 60.102 8.108 ( 0.950 -0.000 19.044) 19.068 8.505 ( 6.202 -0.000 -5.709) 8.430 8.621 ( -9.600 0.000 12.569) 15.816 8.975 ( -17.685 0.000 -6.776) 18.938 9.385 ( 8.698 -0.000 1.485) 8.824 9.638 ( -1.527 0.000 -1.128) 1.899 9.880 ( 9.778 -0.000 -43.856) 44.933 10.087 ( 9.008 -0.000 -0.765) 9.040 10.123 ( 3.296 -0.000 1.635) 3.679 10.650 ( 28.752 -0.000 1.081) 28.772 10.701 ( 13.519 -0.000 1.366) 13.587 11.001 ( 8.913 -0.000 -5.620) 10.537 11.160 ( 1.294 -0.000 0.986) 1.627 11.233 ( 9.173 -0.000 -11.420) 14.648 11.602 ( 3.500 -0.000 -5.771) 6.750 11.839 ( 0.681 -0.000 -12.574) 12.592 12.009 ( -14.198 0.000 -27.143) 30.632 12.470 ( -13.950 0.000 4.375) 14.620 12.695 ( -9.144 0.000 -10.428) 13.870 14.071 ( -3.763 0.000 9.354) 10.083 14.097 ( -8.774 0.000 5.275) 10.238 14.218 ( -1.112 0.000 18.225) 18.259 14.798 ( 2.527 -0.000 12.032) 12.295 14.868 ( -6.132 0.000 -0.227) 6.137 15.204 ( 3.056 -0.000 3.556) 4.689 15.460 ( 1.110 -0.000 -11.089) 11.144 15.820 ( 0.171 -0.000 10.472) 10.473 16.017 ( -5.750 0.000 -20.165) 20.969 16.049 ( -7.917 0.000 -1.470) 8.053 16.702 ( -2.881 0.000 13.097) 13.410 16.977 ( -0.032 0.000 15.481) 15.481 17.051 ( 1.283 -0.000 5.280) 5.434 17.360 ( -14.948 0.000 -10.265) 18.133 17.424 ( -7.856 0.000 4.857) 9.236 17.624 ( -2.899 0.000 4.429) 5.293 17.725 ( -8.438 0.000 -0.309) 8.444 17.872 ( -1.434 0.000 -7.857) 7.987 18.127 ( 7.897 -0.000 6.116) 9.988 18.520 ( 2.840 -0.000 -20.095) 20.295 19.029 ( -2.186 0.000 12.141) 12.336 19.858 ( 8.580 -0.000 19.137) 20.972 19.901 ( -8.483 0.000 -14.539) 16.833 20.058 ( -6.964 0.000 -5.015) 8.581 20.448 ( -10.239 0.000 3.685) 10.882 20.489 ( -4.402 0.000 -1.606) 4.686 20.953 ( -4.285 0.000 2.887) 5.167 21.109 ( -5.305 0.000 -1.038) 5.406 21.153 ( 1.334 -0.000 2.091) 2.480 21.364 ( 3.579 -0.000 -7.832) 8.611 21.506 ( 1.989 -0.000 1.864) 2.726 21.574 ( 4.622 -0.000 0.213) 4.627 21.816 ( 6.430 -0.000 -5.218) 8.281 21.859 ( 0.022 -0.000 -0.954) 0.955 22.093 ( -2.480 0.000 5.891) 6.392 22.132 ( -4.377 0.000 6.038) 7.458 22.345 ( -4.716 0.000 1.179) 4.861 22.451 ( -3.487 0.000 -9.913) 10.509 22.571 ( 5.464 -0.000 -1.089) 5.572 22.867 ( 3.413 -0.000 -11.846) 12.327 23.434 ( 0.661 -0.000 3.311) 3.376 23.466 ( 2.447 -0.000 1.016) 2.650 24.003 ( 7.728 -0.000 10.690) 13.191 24.370 ( -2.076 0.000 0.933) 2.276 24.887 ( 2.809 -0.000 9.204) 9.623 25.259 ( 0.740 -0.000 -3.659) 3.733 25.414 ( -0.707 0.000 2.855) 2.941 25.439 ( 0.032 -0.000 4.175) 4.175 25.507 ( 2.369 -0.000 0.031) 2.369 25.732 ( -6.090 0.000 -3.465) 7.006 26.051 ( 1.846 -0.000 5.533) 5.833 26.179 ( -2.409 0.000 -2.913) 3.780 26.201 ( -0.314 0.000 -1.107) 1.151 26.316 ( 1.216 -0.000 -7.892) 7.985 26.694 ( -3.305 0.000 -2.117) 3.925 26.694 ( -3.022 0.000 -2.906) 4.192 27.187 ( -1.463 0.000 -1.005) 1.775 27.188 ( -2.277 0.000 -0.867) 2.436 27.354 ( 1.821 -0.000 1.066) 2.110 27.384 ( -0.215 0.000 0.534) 0.576 27.576 ( -1.031 0.000 1.404) 1.742 27.617 ( -1.708 0.000 -1.529) 2.292 27.828 ( -0.521 0.000 2.044) 2.109 27.868 ( -2.503 0.000 0.536) 2.560 28.692 ( 5.493 -0.000 1.357) 5.658 28.761 ( 2.825 -0.000 -1.712) 3.303 29.349 ( -5.438 0.000 3.358) 6.391 29.483 ( -7.246 0.000 -2.792) 7.765 ======================= Grid point 181 (57/100) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.559 ( 28.868 -4.401 18.776) 34.717 4.821 ( 22.441 0.452 0.799) 22.460 5.063 ( 35.596 -4.323 20.455) 41.281 5.329 ( -5.871 -1.074 9.164) 10.936 5.603 ( -5.879 0.936 -4.028) 7.187 5.895 ( 36.350 -4.191 32.150) 48.708 6.461 ( 26.904 0.586 -29.640) 40.034 7.554 ( 34.261 -2.677 -25.971) 43.075 7.735 ( 47.221 -10.324 40.651) 63.157 8.143 ( 11.195 0.910 12.736) 16.981 8.402 ( 0.403 10.393 6.969) 12.520 8.599 ( -12.897 -0.749 1.792) 13.042 8.770 ( 4.592 -11.145 -2.405) 12.292 9.527 ( 6.034 0.728 -1.579) 6.280 9.630 ( -0.716 -3.767 -3.459) 5.164 10.104 ( 6.756 -1.750 -17.287) 18.643 10.159 ( 2.040 -1.622 -3.935) 4.720 10.181 ( 3.285 -5.564 -14.689) 16.047 10.822 ( -3.120 -4.485 2.625) 6.061 10.999 ( 8.035 5.239 -4.343) 10.529 11.070 ( -0.654 2.451 -6.777) 7.237 11.271 ( 3.110 -6.612 -5.369) 9.067 11.604 ( 9.455 -6.824 -11.511) 16.385 11.677 ( 9.483 4.573 -11.256) 15.413 11.839 ( 16.465 4.886 -2.890) 17.417 12.075 ( 18.851 -12.106 -8.323) 23.899 12.276 ( -6.646 -0.627 2.962) 7.303 12.528 ( -8.036 1.273 -8.930) 12.080 13.743 ( -19.723 14.779 15.101) 28.904 13.889 ( -8.968 8.759 13.479) 18.407 14.175 ( -9.587 -4.838 15.745) 19.058 14.655 ( -14.819 1.848 4.805) 15.687 14.877 ( 3.865 -0.950 8.751) 9.613 15.263 ( 2.905 -0.706 2.401) 3.834 15.468 ( -1.773 -0.505 -6.010) 6.286 15.825 ( 0.117 1.841 4.748) 5.094 15.956 ( -3.845 -3.226 -4.059) 6.455 15.966 ( 0.576 -0.192 -18.249) 18.260 16.637 ( -1.428 -0.483 9.152) 9.275 16.971 ( -2.896 7.558 1.697) 8.270 17.012 ( -4.740 4.838 -0.948) 6.839 17.121 ( -7.651 -2.849 -2.087) 8.426 17.216 ( -9.967 2.323 1.100) 10.293 17.510 ( -14.259 -3.209 -1.520) 14.695 17.652 ( 3.009 -2.997 7.831) 8.909 17.886 ( 0.625 -1.469 -3.465) 3.815 18.273 ( 7.694 -0.279 5.714) 9.588 18.538 ( -0.348 0.654 -17.253) 17.268 19.026 ( 1.835 -0.676 0.849) 2.132 19.650 ( -14.806 0.898 -21.706) 26.290 19.980 ( 3.452 1.560 10.141) 10.825 20.039 ( 1.744 -3.219 4.331) 5.671 20.277 ( -7.833 0.959 3.963) 8.830 20.387 ( -4.844 1.869 -4.220) 6.691 20.896 ( -1.119 0.776 7.388) 7.513 21.017 ( -4.547 -0.003 2.902) 5.394 21.199 ( 3.380 -0.427 3.782) 5.090 21.408 ( 1.857 1.853 -2.169) 3.404 21.547 ( 1.571 -1.514 1.683) 2.755 21.648 ( 3.603 0.271 -1.167) 3.797 21.846 ( 1.071 2.547 1.795) 3.295 21.923 ( 2.350 -2.229 -3.298) 4.622 22.037 ( -3.229 1.392 3.436) 4.916 22.047 ( -3.990 0.062 4.537) 6.042 22.262 ( -3.758 -0.229 1.813) 4.179 22.384 ( -3.678 0.278 -9.595) 10.280 22.677 ( 5.468 -0.554 -2.330) 5.969 22.908 ( 1.192 0.551 -10.373) 10.456 23.464 ( 1.880 -0.870 4.411) 4.873 23.516 ( 2.230 -0.754 2.079) 3.141 24.142 ( 7.444 0.437 8.545) 11.341 24.320 ( -3.247 -0.157 8.441) 9.045 24.958 ( 4.829 -0.319 -0.092) 4.840 25.273 ( 0.269 -0.235 -5.790) 5.801 25.373 ( -3.126 1.137 3.277) 4.669 25.432 ( -0.839 0.052 0.319) 0.899 25.561 ( 3.181 -0.237 -0.006) 3.190 25.646 ( -3.408 -1.016 -4.262) 5.551 26.079 ( 1.865 1.676 6.611) 7.071 26.121 ( -3.118 0.523 0.370) 3.183 26.203 ( 0.066 -0.837 -1.741) 1.933 26.313 ( -1.380 0.136 -3.717) 3.967 26.633 ( -2.739 0.551 -2.931) 4.049 26.642 ( -2.737 -0.195 -3.038) 4.094 27.147 ( -1.960 -0.009 -0.307) 1.984 27.162 ( -1.050 0.321 -1.195) 1.623 27.371 ( 0.234 0.671 1.317) 1.496 27.378 ( -0.436 -0.083 1.107) 1.192 27.563 ( -0.259 -0.223 0.120) 0.362 27.592 ( -0.876 -0.083 -1.740) 1.949 27.821 ( -0.455 0.259 1.216) 1.324 27.824 ( -2.095 -0.315 1.289) 2.480 28.812 ( 7.473 0.016 0.035) 7.473 28.829 ( 4.592 0.048 -0.636) 4.636 29.230 ( -7.126 0.370 2.477) 7.553 29.328 ( -9.344 0.181 -2.030) 9.564 ======================= Grid point 182 (58/100) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.954 ( 14.557 -1.174 4.337) 15.235 5.090 ( 4.890 0.187 -2.610) 5.546 5.226 ( -1.162 -0.327 4.195) 4.365 5.394 ( -9.392 0.506 -3.854) 10.165 5.932 ( 41.787 -3.888 22.009) 47.388 6.615 ( 31.185 -11.032 26.478) 42.371 6.862 ( 19.203 12.116 -13.114) 26.221 7.642 ( -9.363 13.676 22.214) 27.716 7.900 ( -14.728 -1.491 -19.453) 24.445 8.157 ( 0.176 11.424 2.430) 11.681 8.667 ( 10.595 -17.810 3.751) 21.060 9.049 ( 16.713 1.489 -7.941) 18.564 9.142 ( 37.375 -3.239 9.589) 38.721 9.643 ( 12.183 -7.782 3.694) 14.921 9.753 ( 11.484 -8.245 -4.009) 14.695 10.064 ( -5.049 8.476 -3.712) 10.541 10.115 ( -1.069 3.424 -7.205) 8.048 10.423 ( -0.347 -11.711 -12.048) 16.806 10.751 ( -10.799 -15.888 -5.291) 19.926 10.905 ( -16.715 -4.694 -8.087) 19.153 11.094 ( 7.367 -0.013 -3.351) 8.094 11.256 ( -5.545 -8.884 -11.081) 15.247 11.662 ( 2.281 1.588 -2.156) 3.518 11.836 ( 9.511 3.504 -9.286) 13.747 12.139 ( 1.972 8.010 5.235) 9.771 12.294 ( 1.518 3.232 -0.356) 3.589 12.515 ( 16.581 -4.315 0.414) 17.138 12.684 ( 26.118 -8.269 -5.487) 27.940 13.221 ( -14.579 12.332 18.268) 26.426 13.618 ( -3.710 18.828 3.239) 19.462 13.960 ( -17.675 -6.198 18.695) 26.463 14.295 ( -22.654 -0.743 10.338) 24.912 14.952 ( 2.265 -2.326 5.726) 6.583 15.271 ( -3.318 4.195 9.355) 10.776 15.438 ( -1.772 -6.686 -6.590) 9.554 15.772 ( -2.006 3.863 1.853) 4.731 15.944 ( -2.539 -4.284 -6.141) 7.906 16.030 ( 5.742 1.716 -14.857) 16.020 16.650 ( -1.523 2.604 2.844) 4.146 16.800 ( 0.802 3.519 -3.257) 4.862 16.828 ( -4.397 10.446 -2.873) 11.692 16.973 ( -10.573 3.041 -7.636) 13.392 17.174 ( 1.270 -5.441 0.780) 5.641 17.317 ( -9.549 -4.956 -3.448) 11.298 17.777 ( 5.826 -3.665 8.361) 10.830 17.903 ( -0.759 -1.607 2.117) 2.764 18.404 ( 5.885 -0.594 1.910) 6.215 18.506 ( -2.375 0.409 -9.516) 9.817 19.114 ( 6.551 -1.478 -8.135) 10.549 19.396 ( -11.135 1.884 -17.348) 20.700 19.984 ( -0.110 1.052 3.702) 3.851 20.099 ( 0.997 -0.312 0.294) 1.086 20.155 ( -4.183 -0.816 5.198) 6.721 20.309 ( -0.900 2.357 -4.697) 5.332 20.900 ( 2.368 1.426 9.043) 9.456 20.940 ( -3.588 0.677 6.562) 7.509 21.277 ( 4.020 -0.526 5.322) 6.691 21.393 ( -0.892 2.508 0.698) 2.752 21.576 ( -0.806 -2.824 2.163) 3.647 21.702 ( 1.822 -0.036 1.182) 2.172 21.850 ( 1.257 -0.035 3.716) 3.923 21.915 ( -4.251 -0.565 4.834) 6.462 21.975 ( -3.429 0.513 -3.418) 4.868 21.998 ( -0.586 -0.330 2.457) 2.548 22.237 ( 1.190 0.127 -1.660) 2.046 22.313 ( -3.544 0.263 -7.969) 8.726 22.773 ( 3.965 -1.080 -3.988) 5.726 22.896 ( -1.614 1.045 -7.976) 8.205 23.512 ( 2.316 -0.671 4.809) 5.380 23.551 ( 0.978 -0.061 3.783) 3.907 24.254 ( 4.506 0.666 7.522) 8.794 24.264 ( -2.937 -0.947 9.982) 10.448 25.064 ( 5.842 -0.754 -5.154) 7.827 25.230 ( -5.458 0.791 -5.269) 7.627 25.330 ( 0.209 -0.343 -0.109) 0.416 25.407 ( -1.483 0.575 -1.828) 2.423 25.619 ( 0.337 -0.422 -1.172) 1.290 25.623 ( 1.866 -0.117 -0.813) 2.039 26.050 ( -3.039 0.255 2.194) 3.757 26.096 ( 1.294 2.373 5.627) 6.243 26.224 ( 1.258 -0.920 -2.158) 2.662 26.275 ( -2.502 -0.390 -0.283) 2.548 26.587 ( -1.897 -0.171 -3.196) 3.720 26.606 ( -0.948 0.448 -3.246) 3.412 27.121 ( -1.062 -0.443 0.351) 1.203 27.144 ( -0.428 0.421 -1.128) 1.278 27.350 ( -2.001 -0.595 1.637) 2.653 27.375 ( 0.130 0.356 1.097) 1.161 27.568 ( 0.650 0.267 -0.835) 1.091 27.590 ( 0.645 0.377 -1.564) 1.734 27.788 ( -1.862 -0.839 1.910) 2.796 27.822 ( 0.709 0.755 0.169) 1.050 28.926 ( 5.770 -0.127 0.438) 5.788 28.955 ( 7.395 0.006 -1.037) 7.468 29.094 ( -6.379 0.376 1.532) 6.571 29.150 ( -9.582 0.019 -1.133) 9.649 ======================= Grid point 183 (59/100) ======================= q-point: (-0.56 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.967 ( -11.751 -0.878 3.665) 12.341 5.106 ( -7.540 0.598 -3.008) 8.140 5.236 ( 2.975 0.400 2.608) 3.977 5.360 ( 8.871 -0.904 -3.522) 9.587 6.594 ( 21.336 6.215 10.607) 24.624 6.665 ( -10.717 27.529 9.920) 31.162 7.058 ( -7.988 0.732 9.341) 12.313 7.416 ( 4.288 -1.966 11.516) 12.445 7.702 ( 2.620 5.958 3.577) 7.427 8.166 ( 15.975 10.864 5.422) 20.065 8.930 ( -4.064 -8.272 -3.245) 9.771 9.075 ( -3.602 3.995 -3.963) 6.681 9.499 ( -17.264 9.754 -9.486) 21.981 9.631 ( 16.686 -1.549 -15.254) 22.661 9.867 ( -10.711 -0.640 -5.540) 12.076 10.052 ( -2.491 -1.615 -7.471) 8.039 10.254 ( -12.869 0.862 4.843) 13.777 10.463 ( 15.814 -10.565 -2.386) 19.168 10.728 ( -8.608 -15.649 -2.805) 18.079 10.900 ( 2.154 -21.354 -8.305) 23.013 11.169 ( -4.725 10.408 12.373) 16.845 11.316 ( 9.973 -6.732 -4.662) 12.904 11.658 ( -2.043 3.100 0.164) 3.717 11.875 ( 5.182 12.822 -1.527) 13.913 12.053 ( 5.296 1.116 -3.460) 6.424 12.273 ( 6.211 8.152 0.450) 10.259 12.789 ( 1.677 2.410 -2.373) 3.775 12.853 ( 0.664 4.012 -6.536) 7.698 13.065 ( -12.202 0.821 12.501) 17.488 13.418 ( -3.237 12.721 -1.206) 13.182 13.826 ( -7.120 -14.254 19.621) 25.276 14.070 ( 6.313 -6.443 9.311) 12.964 15.010 ( -0.586 -5.650 3.165) 6.503 15.097 ( -8.692 3.220 11.937) 15.114 15.537 ( 2.604 -7.850 -8.729) 12.025 15.691 ( -1.337 4.742 3.859) 6.258 15.939 ( -1.371 -2.570 -6.287) 6.929 16.089 ( 1.801 2.715 -16.702) 17.017 16.555 ( -2.919 0.097 1.985) 3.532 16.707 ( -0.954 4.098 1.186) 4.371 16.777 ( -3.139 3.940 -6.974) 8.604 16.914 ( 7.588 -1.848 -0.201) 7.812 17.223 ( -1.580 -2.712 -3.452) 4.666 17.355 ( 9.640 -2.483 -4.309) 10.847 17.877 ( -2.495 -0.013 6.294) 6.771 17.904 ( 3.782 -1.701 4.694) 6.263 18.436 ( -4.861 0.726 -1.429) 5.119 18.493 ( 2.935 -0.359 -5.352) 6.114 19.205 ( -7.248 2.354 -11.513) 13.807 19.293 ( 10.839 -2.394 -14.310) 18.110 19.987 ( 1.284 -0.468 1.719) 2.196 20.065 ( 0.097 3.670 0.880) 3.775 20.177 ( 1.238 -4.171 3.542) 5.611 20.300 ( 2.461 3.124 -2.660) 4.785 20.872 ( -2.345 1.005 8.891) 9.250 20.943 ( 3.470 1.236 6.581) 7.542 21.304 ( -3.158 0.431 2.393) 3.985 21.348 ( -0.194 1.328 2.409) 2.758 21.604 ( 0.173 -4.349 5.959) 7.379 21.688 ( -2.921 0.133 2.813) 4.057 21.827 ( -5.405 -2.212 5.510) 8.029 21.884 ( -1.778 -0.617 0.509) 1.950 21.946 ( 2.172 -1.617 -0.652) 2.785 21.981 ( -1.436 0.667 -2.219) 2.726 22.267 ( -0.293 0.543 -4.082) 4.128 22.288 ( 3.286 -0.619 -4.319) 5.462 22.830 ( -4.184 1.286 -5.564) 7.079 22.839 ( 1.712 -1.375 -5.951) 6.343 23.555 ( 0.581 0.929 5.125) 5.241 23.558 ( 1.862 0.414 4.830) 5.193 24.198 ( -5.110 -1.556 9.445) 10.851 24.315 ( 2.445 1.038 6.397) 6.927 25.100 ( -6.595 0.587 -2.554) 7.096 25.182 ( 5.237 -0.835 -6.632) 8.492 25.354 ( 0.627 -1.122 -2.914) 3.185 25.376 ( -0.361 0.812 -2.371) 2.532 25.607 ( -1.113 -0.063 0.791) 1.367 25.673 ( 3.214 1.179 -0.747) 3.504 26.003 ( -2.350 -1.083 2.927) 3.907 26.094 ( 1.187 2.133 4.339) 4.979 26.241 ( -1.426 -0.671 0.261) 1.597 26.262 ( 1.275 -0.737 -3.705) 3.987 26.575 ( 0.264 -0.699 -2.500) 2.610 26.600 ( 0.739 0.216 -2.411) 2.531 27.116 ( -0.291 -0.731 0.576) 0.975 27.138 ( 0.052 0.096 -1.080) 1.086 27.321 ( -2.179 -1.409 2.160) 3.376 27.377 ( 0.271 -0.024 0.508) 0.576 27.581 ( 1.306 0.740 -1.001) 1.804 27.597 ( 0.758 0.987 -1.279) 1.784 27.776 ( -0.505 -1.227 2.100) 2.484 27.835 ( 1.815 1.138 -0.513) 2.203 28.932 ( -6.521 0.152 0.319) 6.530 28.953 ( -7.410 -0.109 -0.720) 7.446 29.071 ( 5.092 -0.609 1.868) 5.458 29.143 ( 8.623 -0.277 -1.528) 8.762 ======================= Grid point 184 (60/100) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.733 ( -14.271 -0.279 2.434) 14.480 4.824 ( -18.458 0.627 -2.094) 18.587 5.354 ( 6.363 1.078 4.411) 7.817 5.514 ( 6.055 -1.290 -3.515) 7.119 5.910 ( -25.343 35.221 20.718) 48.084 6.420 ( -34.689 17.969 30.426) 49.517 6.755 ( 1.029 18.839 -11.632) 22.165 7.572 ( -4.990 -6.010 -15.414) 17.281 7.872 ( 15.488 3.066 10.550) 18.989 8.447 ( 6.739 5.666 -2.343) 9.111 8.503 ( -27.130 8.857 -1.676) 28.588 8.784 ( -20.069 14.479 4.784) 25.205 9.130 ( -6.828 7.083 15.945) 18.736 9.622 ( -3.458 -4.592 0.965) 5.829 9.834 ( -2.264 -3.569 -3.956) 5.789 10.110 ( 6.216 3.472 0.805) 7.165 10.201 ( 6.769 6.003 -15.218) 17.705 10.505 ( -5.851 -2.801 -7.880) 10.207 10.749 ( -15.010 7.863 8.763) 19.076 10.790 ( -7.351 -9.247 0.216) 11.815 11.126 ( -3.357 -14.655 -15.886) 21.873 11.480 ( -11.206 6.265 8.770) 15.548 11.564 ( 4.608 3.795 -6.242) 8.637 11.926 ( 0.703 13.179 -19.989) 23.953 12.206 ( -3.183 7.876 3.287) 9.108 12.235 ( 8.034 1.056 -1.121) 8.180 12.533 ( -2.603 9.932 -7.540) 12.738 12.705 ( -9.319 8.445 -12.297) 17.589 13.083 ( 7.126 -6.318 12.536) 15.743 13.292 ( 7.694 -9.250 3.057) 12.414 14.038 ( 7.376 -12.672 17.651) 22.947 14.368 ( 6.334 -13.459 3.017) 15.177 14.915 ( -6.652 0.583 12.562) 14.226 15.057 ( -3.701 -8.138 1.897) 9.139 15.601 ( -0.068 1.537 -7.128) 7.292 15.707 ( 3.552 -4.206 5.166) 7.549 15.967 ( 2.263 -0.608 -10.304) 10.567 16.049 ( -1.197 -0.034 -13.453) 13.506 16.587 ( 2.055 -6.651 1.885) 7.212 16.691 ( 2.100 0.365 7.919) 8.201 16.810 ( 6.811 0.969 -2.627) 7.364 17.077 ( 7.314 -3.185 5.291) 9.573 17.262 ( 5.917 1.884 -3.679) 7.218 17.576 ( 10.538 -0.505 -2.905) 10.943 17.801 ( -3.120 2.383 6.974) 8.003 17.962 ( 1.952 0.713 -2.165) 3.001 18.309 ( -7.609 1.347 3.476) 8.474 18.511 ( -1.066 -0.025 -12.195) 12.241 19.090 ( -2.902 1.899 -2.833) 4.478 19.560 ( 15.016 -3.011 -19.065) 24.454 20.000 ( -1.701 1.410 9.274) 9.534 20.071 ( 2.818 -0.457 -0.931) 3.003 20.262 ( 3.657 -3.280 3.282) 5.908 20.324 ( 4.544 3.933 0.465) 6.028 20.855 ( 1.694 0.138 6.991) 7.195 21.003 ( 3.725 -0.158 3.370) 5.026 21.220 ( -4.191 0.058 -0.494) 4.221 21.328 ( -1.548 -0.373 0.353) 1.631 21.594 ( -5.888 -0.778 1.710) 6.181 21.629 ( -4.522 -2.104 2.662) 5.653 21.772 ( -2.140 -0.969 4.950) 5.479 21.866 ( -1.500 -4.461 -0.232) 4.712 21.939 ( -2.484 -1.359 -3.014) 4.136 22.030 ( 3.963 -1.283 4.477) 6.115 22.289 ( 3.055 0.492 -2.548) 4.009 22.361 ( 3.439 -0.824 -5.599) 6.622 22.724 ( -5.691 1.342 -3.434) 6.781 22.862 ( -0.588 -1.271 -8.193) 8.312 23.543 ( 0.354 2.216 5.876) 6.290 23.580 ( 1.241 1.823 3.654) 4.268 24.100 ( -7.197 -1.244 9.055) 11.634 24.335 ( 0.954 0.462 4.945) 5.057 24.977 ( -6.073 0.242 2.039) 6.411 25.265 ( 2.262 -0.664 -6.553) 6.964 25.350 ( 0.606 0.585 -0.897) 1.230 25.409 ( 2.270 -0.918 -3.270) 4.085 25.577 ( -1.964 0.419 2.532) 3.232 25.719 ( 3.686 1.728 -1.614) 4.380 25.987 ( -1.110 -1.693 3.045) 3.656 26.101 ( 1.134 0.520 3.367) 3.591 26.232 ( -0.070 -0.180 0.126) 0.230 26.280 ( -0.572 -1.398 -7.837) 7.982 26.608 ( 2.346 -0.473 -1.029) 2.605 26.631 ( 2.464 -0.679 -1.716) 3.078 27.124 ( 0.202 -0.965 0.284) 1.025 27.145 ( 0.393 -0.671 -1.134) 1.375 27.300 ( -1.910 -2.000 2.578) 3.781 27.386 ( 0.796 0.106 -0.277) 0.849 27.591 ( 0.097 0.780 0.108) 0.793 27.605 ( 1.557 0.742 -1.380) 2.209 27.792 ( 0.813 -0.962 2.148) 2.490 27.865 ( 2.914 1.473 -0.950) 3.400 28.808 ( -7.462 -0.142 0.113) 7.464 28.822 ( -5.266 -0.251 -0.433) 5.290 29.195 ( 6.449 -1.070 2.822) 7.120 29.308 ( 8.453 -0.693 -2.351) 8.801 ======================= Grid point 185 (61/100) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.399 ( -25.026 6.236 7.645) 26.901 4.468 ( -14.756 1.634 0.966) 14.878 5.011 ( -25.061 38.810 32.187) 56.305 5.445 ( -3.538 2.016 6.426) 7.607 5.558 ( -28.634 17.416 29.841) 44.874 5.645 ( 2.533 -0.878 -1.191) 2.934 6.429 ( -8.838 24.725 -30.051) 39.906 7.211 ( -35.077 15.438 -4.957) 38.643 7.391 ( -42.233 25.003 12.764) 50.712 7.980 ( -8.063 -1.431 2.946) 8.703 8.535 ( 16.857 2.833 9.553) 19.582 8.747 ( 8.909 11.092 8.787) 16.722 9.142 ( 10.195 1.042 1.344) 10.335 9.677 ( -3.253 1.242 1.987) 4.009 9.749 ( -4.747 -3.761 3.804) 7.152 10.031 ( -8.538 10.772 6.241) 15.096 10.138 ( -8.752 5.853 -3.973) 11.254 10.413 ( 1.744 5.746 -9.423) 11.173 10.534 ( -7.322 -4.257 -10.779) 13.709 10.686 ( -10.255 3.058 -1.353) 10.786 11.111 ( -12.897 9.751 -7.818) 17.959 11.249 ( -5.053 -8.203 -4.739) 10.737 11.316 ( -11.005 6.488 -7.577) 14.853 11.677 ( -10.955 12.415 2.307) 16.717 11.985 ( 1.987 12.563 -26.354) 29.263 12.251 ( -0.159 7.519 -14.966) 16.749 12.609 ( 5.682 -0.937 -6.890) 8.980 12.688 ( 15.116 5.685 -9.747) 18.863 13.452 ( 12.716 -19.786 12.173) 26.483 13.643 ( 11.383 -15.271 3.365) 19.342 14.231 ( 1.255 -8.260 12.471) 15.011 14.471 ( -6.642 -10.617 -2.056) 12.691 14.869 ( 0.033 -2.685 16.494) 16.711 15.051 ( -5.056 -7.927 -0.386) 9.410 15.574 ( 0.060 3.716 -4.752) 6.032 15.781 ( 0.795 -2.260 10.835) 11.096 16.016 ( 3.639 -1.778 -22.745) 23.103 16.150 ( 9.102 -0.293 -0.862) 9.147 16.690 ( -1.019 -7.364 1.638) 7.613 16.762 ( 2.808 -5.114 10.160) 11.716 16.951 ( 8.290 -0.335 6.817) 10.738 17.250 ( 7.772 -3.840 9.404) 12.790 17.390 ( 9.931 3.857 -3.267) 11.143 17.652 ( 0.110 1.106 2.909) 3.114 17.806 ( 4.288 1.092 0.866) 4.509 17.978 ( 2.411 2.904 -7.533) 8.426 18.145 ( -8.317 1.257 4.794) 9.681 18.473 ( -3.190 -1.186 -17.361) 17.691 19.057 ( 0.578 0.947 9.336) 9.402 19.863 ( 8.241 -0.799 -8.435) 11.820 19.911 ( 0.168 0.455 6.504) 6.522 20.116 ( 2.021 1.428 -1.231) 2.764 20.356 ( 3.812 -2.720 1.477) 4.910 20.427 ( 8.422 0.150 1.641) 8.581 20.927 ( 5.192 -0.638 2.464) 5.783 21.082 ( 3.773 -1.749 0.867) 4.248 21.168 ( -1.620 -0.282 -2.033) 2.614 21.311 ( -1.276 -1.440 -6.009) 6.310 21.478 ( -7.241 -1.943 0.019) 7.497 21.537 ( -6.531 -1.680 0.752) 6.786 21.728 ( -4.105 -1.080 1.623) 4.545 21.881 ( -1.446 -1.675 -1.698) 2.789 21.965 ( 1.671 -5.273 5.826) 8.033 22.109 ( 3.331 -1.109 5.916) 6.879 22.355 ( 3.915 -0.256 -2.744) 4.787 22.425 ( 2.709 -0.802 -7.537) 8.049 22.606 ( -5.548 1.276 -1.807) 5.973 22.844 ( -2.407 -0.772 -10.231) 10.539 23.524 ( 0.767 3.497 4.973) 6.128 23.561 ( -0.190 3.551 2.291) 4.230 23.969 ( -8.089 -1.103 10.366) 13.195 24.353 ( 1.098 -0.614 -0.045) 1.259 24.881 ( -4.346 -0.415 9.980) 10.893 25.275 ( -0.365 0.538 -4.574) 4.620 25.377 ( 1.590 -0.623 0.227) 1.723 25.451 ( 1.613 0.494 -0.195) 1.699 25.532 ( -2.091 0.605 2.434) 3.265 25.782 ( 4.995 1.323 -2.250) 5.636 25.988 ( -0.685 -1.528 2.852) 3.308 26.124 ( 0.983 -1.038 2.048) 2.498 26.235 ( 0.059 0.175 -2.413) 2.420 26.273 ( -1.844 -2.034 -9.836) 10.212 26.659 ( 2.254 -1.070 -0.661) 2.581 26.696 ( 3.613 -0.356 -1.746) 4.028 27.143 ( 0.589 -1.465 -0.087) 1.581 27.166 ( 0.616 -1.559 -1.197) 2.060 27.290 ( -1.624 -2.127 2.752) 3.838 27.401 ( 1.187 0.678 -1.239) 1.845 27.582 ( -0.490 0.027 1.666) 1.737 27.628 ( 1.549 0.439 -1.399) 2.133 27.819 ( 1.287 -0.402 2.422) 2.772 27.906 ( 3.150 1.751 -1.219) 3.804 28.691 ( -5.353 -0.014 1.197) 5.485 28.749 ( -3.207 -0.558 -1.366) 3.531 29.315 ( 5.089 -1.384 3.568) 6.367 29.457 ( 6.676 -1.094 -2.942) 7.377 ======================= Grid point 186 (62/100) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.725 ( -30.563 19.825 34.171) 49.948 4.103 ( -14.005 39.601 38.843) 57.211 4.286 ( -15.229 6.954 6.664) 18.019 4.824 ( -22.978 9.844 17.656) 30.604 5.502 ( 1.791 1.707 5.868) 6.369 5.711 ( 1.645 -2.004 -4.816) 5.470 6.017 ( -7.543 25.848 -31.798) 41.667 6.299 ( -26.823 31.266 68.931) 80.302 6.481 ( -28.509 22.218 -38.596) 52.877 7.985 ( 0.027 -5.647 6.938) 8.946 8.695 ( 5.655 15.203 5.885) 17.255 8.841 ( 9.284 -4.756 -1.071) 10.486 9.296 ( 0.509 6.428 1.720) 6.674 9.421 ( -3.746 13.404 0.449) 13.925 9.630 ( -18.210 -2.527 1.388) 18.436 9.765 ( -4.492 -2.085 4.190) 6.487 10.050 ( 3.450 7.289 -1.321) 8.171 10.288 ( -3.479 14.627 -3.616) 15.463 10.373 ( -8.458 16.552 -9.281) 20.776 10.486 ( -1.639 2.315 -21.954) 22.136 10.832 ( -7.838 -0.153 5.635) 9.654 11.085 ( -5.990 -0.474 0.735) 6.053 11.384 ( 0.034 -10.911 -12.006) 16.224 11.397 ( -5.067 8.867 3.483) 10.791 11.988 ( 5.170 7.753 -33.837) 35.096 12.262 ( 6.991 2.421 -30.330) 31.219 12.663 ( -0.565 -2.471 -1.829) 3.126 12.938 ( 14.248 2.021 -8.009) 16.469 13.826 ( 6.760 -14.801 10.464) 19.346 13.898 ( 1.711 -10.826 6.528) 12.757 14.219 ( -7.144 -2.072 0.598) 7.462 14.499 ( -1.900 -13.701 0.023) 13.832 14.921 ( 1.174 -4.131 14.430) 15.055 15.061 ( -1.867 -6.655 2.044) 7.208 15.534 ( 0.205 4.262 -3.732) 5.668 15.811 ( 0.758 -1.154 15.430) 15.492 16.124 ( 5.008 -2.434 -22.522) 23.200 16.309 ( 9.335 3.635 -2.215) 10.259 16.659 ( -6.302 -1.611 7.705) 10.084 16.873 ( 0.294 -8.581 10.073) 13.235 17.103 ( 8.700 1.933 15.765) 18.110 17.381 ( -0.511 -4.249 9.033) 9.995 17.531 ( 8.777 -2.188 -2.500) 9.385 17.708 ( 5.458 0.673 -5.645) 7.881 17.832 ( 1.006 1.697 -4.378) 4.802 17.973 ( -4.527 0.096 4.734) 6.551 18.023 ( 0.013 2.500 -2.845) 3.788 18.430 ( -2.844 -1.378 -18.908) 19.170 19.080 ( 1.884 -0.341 22.077) 22.160 19.745 ( -5.995 2.090 20.852) 21.797 20.045 ( 2.359 4.299 -5.605) 7.447 20.200 ( 7.618 -1.702 -9.348) 12.179 20.451 ( 2.010 -4.526 0.382) 4.967 20.600 ( 8.929 -1.936 -2.692) 9.525 21.027 ( 4.333 -0.389 -0.061) 4.351 21.156 ( 0.534 -0.956 -1.430) 1.801 21.172 ( 2.944 -1.588 -3.942) 5.170 21.282 ( -4.058 -0.439 -13.612) 14.210 21.407 ( -2.810 -3.562 1.995) 4.956 21.452 ( -4.556 -2.384 -0.559) 5.173 21.657 ( -4.549 -1.896 3.972) 6.330 21.873 ( -0.200 -0.004 -1.901) 1.912 22.052 ( 1.466 -5.078 7.760) 9.389 22.173 ( 2.164 -1.274 5.555) 6.096 22.420 ( 2.597 0.040 -0.378) 2.625 22.481 ( 1.842 -1.282 -9.914) 10.165 22.509 ( -3.098 0.586 -2.202) 3.846 22.797 ( -2.899 0.026 -11.251) 11.618 23.489 ( -0.501 4.115 2.414) 4.798 23.525 ( 1.077 4.564 0.956) 4.786 23.846 ( -6.116 -1.681 13.622) 15.026 24.381 ( 0.829 -0.865 -8.638) 8.721 24.832 ( -1.974 -1.223 19.813) 19.949 25.260 ( -0.375 0.769 -3.257) 3.368 25.407 ( 0.911 -0.456 1.645) 1.935 25.450 ( -0.530 1.142 6.306) 6.430 25.499 ( -0.623 0.921 -1.036) 1.519 25.866 ( 4.812 1.001 0.724) 4.969 25.990 ( -0.604 -1.369 2.214) 2.672 26.155 ( 0.712 -1.872 -0.402) 2.043 26.217 ( -2.239 -0.859 -12.438) 12.667 26.268 ( -0.238 -0.769 -4.396) 4.469 26.709 ( 1.553 -1.633 -1.333) 2.618 26.755 ( 2.395 0.108 -2.303) 3.324 27.174 ( 0.729 -2.080 -0.173) 2.211 27.196 ( 0.656 -1.968 -1.194) 2.393 27.283 ( -1.315 -1.792 2.748) 3.534 27.411 ( 0.882 1.288 -2.190) 2.690 27.577 ( -0.307 -0.740 2.970) 3.076 27.649 ( 0.948 0.083 -1.151) 1.494 27.842 ( 0.906 0.065 2.733) 2.880 27.937 ( 2.009 1.818 -1.294) 3.002 28.616 ( -2.798 0.090 2.279) 3.610 28.714 ( -1.384 -0.656 -2.167) 2.654 29.403 ( 2.789 -1.389 4.100) 5.150 29.566 ( 3.732 -1.233 -3.381) 5.184 ======================= Grid point 187 (63/100) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.160 ( 0.000 21.525 54.508) 58.604 3.464 ( 0.000 45.150 59.650) 74.811 4.145 ( -0.000 -0.094 -4.972) 4.973 4.521 ( 0.000 5.958 11.490) 12.943 5.503 ( 0.000 1.333 5.858) 6.008 5.615 ( 0.000 26.866 69.620) 74.624 5.746 ( -0.000 -1.536 -7.537) 7.691 5.830 ( 0.000 22.122 -7.341) 23.308 6.005 ( 0.000 13.464 -47.166) 49.050 8.038 ( -0.000 -4.243 11.293) 12.064 8.587 ( 0.000 14.378 -0.776) 14.399 8.975 ( 0.000 21.645 19.861) 29.376 9.049 ( -0.000 -10.933 -7.892) 13.484 9.440 ( 0.000 5.503 -13.995) 15.038 9.458 ( -0.000 -5.198 3.300) 6.157 9.741 ( -0.000 -2.415 -0.387) 2.446 9.978 ( 0.000 19.422 -1.886) 19.513 10.025 ( 0.000 17.284 -30.492) 35.051 10.218 ( -0.000 -0.888 3.240) 3.360 10.477 ( -0.000 -0.646 -19.071) 19.082 10.761 ( -0.000 -0.331 18.145) 18.148 11.067 ( -0.000 -4.213 0.097) 4.214 11.285 ( 0.000 6.787 0.356) 6.796 11.476 ( -0.000 -7.562 -7.967) 10.985 11.953 ( 0.000 7.551 -32.558) 33.422 12.349 ( 0.000 0.067 -44.310) 44.310 12.703 ( -0.000 -7.605 7.784) 10.883 13.075 ( 0.000 2.919 -9.839) 10.263 13.884 ( -0.000 -0.826 4.480) 4.556 14.101 ( -0.000 -15.436 19.793) 25.100 14.137 ( -0.000 -1.422 -8.321) 8.442 14.623 ( -0.000 -11.816 3.530) 12.331 14.968 ( -0.000 -1.474 8.524) 8.650 15.104 ( -0.000 -4.602 4.460) 6.409 15.495 ( 0.000 3.807 -4.063) 5.568 15.829 ( -0.000 -0.734 14.228) 14.247 16.209 ( -0.000 -2.693 -20.613) 20.788 16.373 ( 0.000 5.670 -7.823) 9.661 16.577 ( -0.000 -0.585 17.911) 17.920 16.940 ( -0.000 -5.437 10.551) 11.869 17.177 ( 0.000 2.476 21.148) 21.292 17.397 ( -0.000 -4.623 2.740) 5.374 17.694 ( -0.000 -6.275 -2.175) 6.641 17.724 ( 0.000 3.040 -17.505) 17.767 17.860 ( 0.000 0.010 0.910) 0.910 17.894 ( -0.000 -0.358 6.708) 6.717 18.019 ( 0.000 1.270 -3.336) 3.569 18.406 ( -0.000 -0.021 -17.653) 17.653 19.110 ( -0.000 -0.877 28.702) 28.715 19.665 ( 0.000 1.666 20.025) 20.094 20.012 ( 0.000 4.311 -1.626) 4.607 20.291 ( -0.000 -1.161 -6.687) 6.787 20.514 ( -0.000 -4.152 0.128) 4.154 20.731 ( -0.000 -3.234 -5.405) 6.298 21.071 ( -0.000 -0.164 -0.635) 0.656 21.176 ( 0.000 2.025 0.983) 2.251 21.210 ( -0.000 -1.239 -21.921) 21.956 21.229 ( -0.000 -1.492 -2.461) 2.878 21.422 ( -0.000 -2.954 -0.344) 2.974 21.432 ( -0.000 -2.413 -0.793) 2.540 21.631 ( -0.000 -2.068 6.358) 6.686 21.871 ( 0.000 0.376 -2.765) 2.790 22.112 ( -0.000 -3.805 7.941) 8.806 22.206 ( -0.000 -0.980 5.077) 5.170 22.441 ( 0.000 0.228 2.122) 2.135 22.464 ( 0.000 0.515 -3.313) 3.353 22.532 ( -0.000 -1.791 -11.442) 11.581 22.760 ( 0.000 0.500 -11.263) 11.274 23.444 ( 0.000 3.011 1.308) 3.283 23.491 ( 0.000 4.339 -0.809) 4.414 23.805 ( -0.000 -1.818 15.712) 15.817 24.396 ( -0.000 -0.663 -13.170) 13.186 24.828 ( -0.000 -1.231 24.393) 24.424 25.250 ( 0.000 0.567 -2.698) 2.757 25.416 ( 0.000 0.139 1.066) 1.075 25.432 ( 0.000 0.590 10.211) 10.228 25.484 ( 0.000 1.021 -1.703) 1.986 25.906 ( 0.000 1.066 4.932) 5.046 25.999 ( -0.000 -1.338 1.936) 2.354 26.187 ( -0.000 -1.973 -0.289) 1.994 26.194 ( -0.000 -0.887 -20.019) 20.038 26.271 ( -0.000 -0.016 -2.591) 2.591 26.741 ( -0.000 -1.585 -2.363) 2.846 26.776 ( 0.000 0.233 -2.644) 2.654 27.204 ( -0.000 -2.096 -0.201) 2.105 27.223 ( -0.000 -1.491 -1.164) 1.892 27.283 ( -0.000 -1.320 2.558) 2.879 27.406 ( 0.000 1.257 -2.394) 2.704 27.585 ( -0.000 -0.999 3.276) 3.425 27.658 ( 0.000 0.112 -0.809) 0.817 27.849 ( 0.000 0.223 2.773) 2.782 27.939 ( 0.000 1.398 -1.120) 1.791 28.589 ( 0.000 0.061 2.853) 2.853 28.708 ( -0.000 -0.519 -2.568) 2.620 29.441 ( -0.000 -1.069 4.287) 4.418 29.613 ( -0.000 -0.988 -3.550) 3.684 ======================= Grid point 190 (64/100) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.941 ( 16.072 -0.000 4.769) 16.765 5.093 ( 2.992 -0.000 -3.060) 4.280 5.221 ( -0.098 0.000 4.440) 4.441 5.399 ( -8.516 0.000 -3.729) 9.297 5.908 ( 46.193 -0.000 24.581) 52.327 6.500 ( 30.290 -0.000 25.731) 39.744 7.004 ( 29.878 -0.000 -15.245) 33.543 7.883 ( -8.132 0.000 -26.081) 27.319 7.911 ( -5.872 0.000 25.823) 26.482 8.266 ( 2.075 -0.000 15.273) 15.413 8.337 ( 1.108 -0.000 1.464) 1.836 9.042 ( 23.280 -0.000 -11.642) 26.029 9.174 ( 56.998 -0.000 18.560) 59.944 9.555 ( -3.226 0.000 -7.036) 7.740 9.692 ( 9.147 -0.000 -3.668) 9.855 10.169 ( -0.851 0.000 -0.851) 1.204 10.175 ( 2.482 -0.000 -1.628) 2.968 10.255 ( 6.026 -0.000 -23.231) 24.000 10.510 ( -22.729 0.000 -4.464) 23.164 10.865 ( -28.282 0.000 -11.678) 30.598 11.127 ( 4.967 -0.000 -4.193) 6.500 11.128 ( -0.101 0.000 -8.689) 8.690 11.668 ( 1.816 -0.000 -0.478) 1.878 11.885 ( 11.320 -0.000 -11.134) 15.878 12.262 ( 13.398 -0.000 4.272) 14.063 12.268 ( 6.935 -0.000 2.386) 7.334 12.481 ( 8.094 -0.000 0.700) 8.124 12.596 ( 32.245 -0.000 -5.805) 32.764 13.430 ( -21.672 0.000 21.438) 30.484 13.783 ( -12.465 0.000 18.980) 22.707 13.905 ( -9.953 0.000 3.774) 10.645 14.258 ( -26.659 0.000 8.660) 28.030 14.928 ( 1.151 -0.000 3.736) 3.909 15.298 ( 1.045 -0.000 3.154) 3.323 15.372 ( -7.576 0.000 -2.240) 7.900 15.843 ( 0.495 -0.000 -0.883) 1.012 15.865 ( -3.822 0.000 -1.638) 4.158 16.050 ( 6.724 -0.000 -14.834) 16.287 16.682 ( 3.794 -0.000 2.578) 4.587 16.855 ( -7.129 0.000 -1.603) 7.306 16.958 ( -11.253 0.000 0.621) 11.270 17.059 ( 0.286 -0.000 -4.538) 4.547 17.094 ( -0.034 0.000 -5.624) 5.624 17.204 ( -13.281 0.000 -5.700) 14.452 17.734 ( 6.798 -0.000 9.247) 11.477 17.883 ( -0.183 0.000 1.962) 1.971 18.397 ( 5.905 -0.000 2.427) 6.384 18.511 ( -2.549 0.000 -10.751) 11.049 19.098 ( 6.412 -0.000 -7.297) 9.713 19.417 ( -11.023 0.000 -17.848) 20.977 20.020 ( 0.466 -0.000 3.672) 3.701 20.048 ( 0.729 -0.000 7.212) 7.249 20.171 ( -3.973 0.000 2.554) 4.723 20.337 ( -1.123 0.000 -7.491) 7.575 20.916 ( 2.380 -0.000 8.603) 8.926 20.947 ( -3.112 0.000 6.001) 6.760 21.272 ( 4.549 -0.000 7.995) 9.199 21.425 ( -1.648 0.000 0.179) 1.658 21.544 ( -0.704 0.000 0.789) 1.057 21.699 ( 1.668 -0.000 -0.567) 1.761 21.842 ( -3.964 0.000 4.086) 5.693 21.920 ( -0.401 0.000 1.599) 1.649 21.979 ( -5.142 0.000 -2.080) 5.547 21.984 ( -0.235 0.000 4.911) 4.917 22.243 ( 1.419 -0.000 -0.584) 1.534 22.315 ( -3.883 0.000 -8.335) 9.195 22.762 ( 3.938 -0.000 -3.904) 5.546 22.908 ( -1.645 0.000 -8.532) 8.690 23.505 ( 2.875 -0.000 4.824) 5.616 23.550 ( 1.651 -0.000 3.752) 4.099 24.251 ( -4.037 0.000 11.140) 11.850 24.263 ( 5.268 -0.000 6.729) 8.546 25.056 ( 5.893 -0.000 -6.213) 8.563 25.236 ( -5.298 0.000 -6.744) 8.576 25.329 ( -0.728 0.000 1.873) 2.010 25.412 ( -1.350 0.000 -1.406) 1.949 25.612 ( -0.334 0.000 -1.224) 1.269 25.623 ( 3.598 -0.000 0.018) 3.598 26.055 ( -3.820 0.000 1.130) 3.984 26.124 ( 1.631 -0.000 5.808) 6.032 26.213 ( 1.529 -0.000 -2.465) 2.900 26.268 ( -3.104 0.000 0.566) 3.156 26.585 ( -2.304 0.000 -3.395) 4.103 26.611 ( -0.886 0.000 -3.450) 3.562 27.116 ( -1.185 0.000 0.669) 1.361 27.149 ( -0.640 0.000 -1.444) 1.579 27.344 ( -2.203 0.000 1.322) 2.569 27.376 ( -0.558 0.000 0.768) 0.950 27.576 ( 1.485 -0.000 -0.723) 1.651 27.592 ( 0.770 -0.000 -1.175) 1.405 27.779 ( -2.048 0.000 2.386) 3.144 27.830 ( 0.784 -0.000 -0.167) 0.801 28.924 ( 5.654 -0.000 0.453) 5.672 28.955 ( 7.429 -0.000 -1.085) 7.508 29.098 ( -6.664 0.000 1.443) 6.818 29.150 ( -9.782 0.000 -1.045) 9.838 ======================= Grid point 191 (65/100) ======================= q-point: ( 0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.952 ( -12.072 -0.443 4.297) 12.822 5.113 ( -6.490 0.126 -3.469) 7.360 5.244 ( 2.623 0.288 1.629) 3.101 5.345 ( 7.560 -0.470 -3.696) 8.428 6.688 ( 33.772 3.256 16.434) 37.699 6.914 ( 8.001 -2.696 10.211) 13.249 7.361 ( 13.495 23.658 -7.697) 28.303 7.489 ( -17.697 5.761 0.732) 18.626 7.836 ( 11.644 6.246 22.390) 25.998 8.319 ( 7.112 2.934 13.733) 15.741 8.579 ( 2.166 -21.423 0.295) 21.535 9.249 ( -6.430 10.106 -1.985) 12.142 9.554 ( 14.704 4.178 -17.690) 23.379 9.745 ( 2.800 -0.641 -11.086) 11.452 9.930 ( -19.505 4.016 -2.572) 20.079 9.966 ( -23.130 0.456 -4.800) 23.628 10.194 ( 7.452 -8.371 -3.440) 11.724 10.298 ( 18.809 -0.863 -3.537) 19.159 10.390 ( -7.988 -11.616 -11.716) 18.330 10.502 ( 1.129 -15.023 -10.664) 18.457 11.210 ( 7.638 -2.272 -2.017) 8.220 11.278 ( 10.043 -0.328 2.728) 10.412 11.702 ( 2.474 1.910 5.697) 6.498 12.028 ( 3.906 2.606 -10.125) 11.161 12.330 ( 2.614 18.585 7.438) 20.188 12.357 ( 7.264 1.403 7.751) 10.715 12.727 ( 9.970 -5.334 5.564) 12.602 12.961 ( 2.106 1.895 -4.985) 5.734 13.121 ( -6.074 3.552 16.212) 17.673 13.427 ( -27.153 -12.206 15.821) 33.713 13.740 ( -8.628 7.950 2.477) 11.991 13.979 ( 2.738 -2.880 -2.310) 4.597 14.928 ( -1.841 -2.106 0.003) 2.798 15.143 ( -12.288 1.000 10.865) 16.433 15.389 ( 2.713 -4.994 -11.357) 12.699 15.779 ( -2.184 3.550 3.610) 5.514 15.883 ( 0.760 -2.692 -1.641) 3.243 16.131 ( 1.038 1.280 -17.856) 17.932 16.621 ( -7.284 5.522 4.305) 10.104 16.722 ( -9.204 -2.370 1.855) 9.683 16.844 ( 3.540 -2.184 3.844) 5.664 16.956 ( -0.077 9.596 -5.707) 11.165 17.139 ( 0.464 -6.331 -7.606) 9.907 17.287 ( 13.414 -2.796 -8.880) 16.328 17.864 ( 4.858 -0.643 6.137) 7.853 17.878 ( 0.342 -0.686 5.753) 5.803 18.447 ( -4.366 0.376 -2.783) 5.191 18.485 ( 3.232 -0.327 -4.432) 5.495 19.242 ( -6.845 1.049 -12.593) 14.371 19.257 ( 9.656 -1.004 -12.854) 16.108 20.012 ( 1.337 2.572 5.365) 6.098 20.086 ( 0.630 -3.817 6.174) 7.286 20.128 ( 0.121 1.390 1.591) 2.116 20.350 ( 3.087 1.516 -7.237) 8.012 20.898 ( -1.636 1.058 7.704) 7.947 20.965 ( 2.966 0.628 5.974) 6.700 21.328 ( -1.182 2.000 5.330) 5.814 21.367 ( -1.713 -0.531 3.301) 3.757 21.528 ( -1.499 -2.133 2.311) 3.483 21.679 ( -4.399 0.088 2.873) 5.254 21.758 ( -5.930 -3.521 4.866) 8.441 21.889 ( -3.090 0.113 -1.272) 3.344 21.934 ( 2.386 0.439 0.101) 2.429 21.990 ( -1.500 0.181 -2.197) 2.667 22.269 ( -0.304 -0.300 -2.410) 2.447 22.280 ( 2.239 -0.061 -3.054) 3.787 22.818 ( 1.861 -0.568 -5.654) 5.980 22.850 ( -4.300 0.516 -6.457) 7.775 23.562 ( 3.220 0.167 5.047) 5.989 23.571 ( 0.894 0.423 5.883) 5.966 24.174 ( -4.823 -0.671 10.040) 11.158 24.330 ( 2.205 0.365 5.240) 5.697 25.109 ( -7.151 0.299 -3.390) 7.920 25.168 ( 5.487 -0.502 -8.935) 10.497 25.337 ( 0.800 -0.399 -1.661) 1.886 25.389 ( -0.652 0.355 -1.900) 2.040 25.608 ( -0.548 0.102 2.491) 2.553 25.688 ( 3.560 0.316 0.344) 3.591 25.993 ( -2.636 -0.068 1.183) 2.890 26.137 ( 0.753 1.645 2.750) 3.291 26.220 ( -2.199 -1.031 1.793) 3.019 26.249 ( 1.422 -0.426 -3.732) 4.017 26.564 ( 0.182 -0.308 -2.473) 2.499 26.603 ( 0.150 0.095 -2.249) 2.256 27.104 ( -0.358 -0.310 1.115) 1.211 27.138 ( -0.603 -0.068 -1.292) 1.428 27.302 ( -2.469 -0.432 1.744) 3.053 27.371 ( 0.094 -0.297 -0.251) 0.400 27.601 ( 1.606 0.940 -0.802) 2.026 27.610 ( 0.867 0.157 -0.918) 1.273 27.756 ( -0.546 -0.636 3.087) 3.199 27.852 ( 1.968 0.475 -1.313) 2.413 28.935 ( -6.844 0.068 0.255) 6.849 28.951 ( -7.518 -0.060 -0.583) 7.541 29.062 ( 4.794 -0.263 1.944) 5.180 29.139 ( 8.336 -0.142 -1.650) 8.499 ======================= Grid point 192 (66/100) ======================= q-point: (-0.56 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.713 ( -14.538 -1.072 2.940) 14.871 4.836 ( -18.013 0.510 -3.154) 18.294 5.372 ( 6.912 0.774 2.235) 7.305 5.477 ( 5.633 -1.813 -3.051) 6.658 6.544 ( -25.952 18.856 20.712) 38.185 6.809 ( -14.349 18.691 9.911) 25.563 7.218 ( 9.528 26.736 2.256) 28.472 7.500 ( 9.142 5.459 -15.826) 19.075 8.043 ( 10.946 9.203 19.723) 24.362 8.451 ( -2.574 -5.309 9.247) 10.969 8.620 ( -11.220 -4.955 8.569) 14.963 8.970 ( -12.033 7.205 -8.305) 16.300 9.258 ( -14.257 7.444 -0.988) 16.114 9.551 ( -12.373 -0.792 -5.846) 13.707 9.701 ( -5.896 -7.712 -5.268) 11.045 10.055 ( 6.237 -7.523 -6.046) 11.491 10.203 ( -1.370 -9.194 -15.025) 17.668 10.445 ( 7.177 -0.543 -16.367) 17.880 10.577 ( 2.400 -6.516 -0.635) 6.973 10.839 ( 8.450 -10.392 -10.157) 16.810 11.169 ( -11.629 22.550 21.085) 32.989 11.461 ( 3.428 -1.597 8.142) 8.978 11.698 ( 5.513 6.873 2.207) 9.083 12.113 ( 7.709 -3.183 -5.878) 10.204 12.171 ( 7.253 6.862 5.261) 11.286 12.419 ( -4.568 8.252 0.660) 9.456 12.708 ( -18.505 5.426 2.863) 19.495 12.902 ( 2.396 12.237 -17.819) 21.749 13.040 ( 10.821 0.384 4.483) 11.719 13.129 ( -14.943 -15.282 12.640) 24.831 13.800 ( 7.220 -7.931 6.117) 12.347 14.116 ( 4.128 -7.520 -4.418) 9.649 14.906 ( -5.098 -3.307 -1.293) 6.213 14.931 ( -8.792 -2.043 9.445) 13.064 15.507 ( 2.501 -7.711 -14.373) 16.501 15.714 ( -0.492 3.142 9.421) 9.943 15.937 ( 2.872 -2.079 -3.305) 4.847 16.051 ( -6.212 0.277 -17.821) 18.875 16.510 ( -1.651 -0.787 5.822) 6.103 16.655 ( -3.132 -4.036 6.229) 8.056 16.878 ( 4.251 4.344 0.970) 6.155 17.025 ( 9.095 -1.135 7.450) 11.811 17.269 ( 8.926 -1.575 -9.492) 13.125 17.561 ( 13.067 -0.519 -6.418) 14.568 17.840 ( -2.053 1.644 7.662) 8.101 17.966 ( 3.950 -0.138 -0.606) 3.999 18.335 ( -7.084 1.102 2.714) 7.666 18.512 ( -0.768 -0.046 -10.970) 10.997 19.122 ( -4.065 1.214 -4.787) 6.397 19.503 ( 14.680 -2.277 -17.142) 22.683 20.020 ( -0.058 1.210 10.564) 10.634 20.093 ( 1.087 1.503 3.790) 4.220 20.192 ( 4.300 -3.189 4.091) 6.738 20.403 ( 5.038 3.313 -4.851) 7.738 20.878 ( 1.519 1.739 6.046) 6.472 21.007 ( 2.340 0.470 3.065) 3.885 21.225 ( -5.286 0.750 -0.624) 5.376 21.340 ( -2.127 1.205 0.965) 2.628 21.534 ( -5.359 -5.953 4.815) 9.346 21.573 ( -6.044 -0.908 3.068) 6.839 21.718 ( -1.478 -4.286 5.631) 7.229 21.841 ( -2.684 1.118 -1.092) 3.106 21.913 ( -4.829 -0.895 -6.108) 7.838 22.006 ( 4.111 -0.804 1.488) 4.445 22.296 ( 2.182 0.319 -2.186) 3.105 22.337 ( 3.300 -1.452 -1.478) 3.897 22.748 ( -5.771 0.887 -4.494) 7.368 22.841 ( -0.091 -0.783 -7.493) 7.534 23.578 ( 0.910 1.170 7.472) 7.617 23.612 ( 2.798 1.219 4.711) 5.614 24.080 ( -6.345 -0.634 8.433) 10.573 24.343 ( 0.056 0.337 3.304) 3.322 24.979 ( -6.679 -0.024 1.684) 6.888 25.256 ( 3.122 -0.292 -8.484) 9.045 25.354 ( 0.538 -0.254 -1.860) 1.952 25.400 ( 2.634 0.171 -3.417) 4.318 25.583 ( -2.020 0.162 5.208) 5.588 25.746 ( 3.414 0.832 0.437) 3.540 25.966 ( -0.692 -0.436 0.392) 0.907 26.125 ( 0.223 1.739 2.738) 3.252 26.212 ( -0.393 -1.714 0.362) 1.796 26.257 ( -1.208 -0.706 -7.937) 8.059 26.601 ( 2.905 -0.243 -0.633) 2.983 26.617 ( 1.480 -0.591 -0.891) 1.826 27.107 ( -0.001 -0.630 0.810) 1.026 27.129 ( -0.735 -0.758 -0.970) 1.434 27.268 ( -1.980 -1.106 2.668) 3.501 27.387 ( 1.394 -0.002 -1.587) 2.112 27.603 ( -0.793 0.334 0.404) 0.951 27.623 ( 1.341 0.909 -1.271) 2.059 27.773 ( 1.420 -0.758 3.136) 3.525 27.892 ( 3.214 1.052 -2.045) 3.952 28.806 ( -7.366 -0.110 0.134) 7.368 28.817 ( -5.684 -0.205 -0.320) 5.696 29.177 ( 6.113 -0.708 2.948) 6.824 29.295 ( 8.037 -0.507 -2.488) 8.428 ======================= Grid point 193 (67/100) ======================= q-point: (-0.44 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.450 ( -16.031 -0.628 1.367) 16.102 4.478 ( -18.917 1.304 0.212) 18.963 5.457 ( 3.133 1.270 2.621) 4.277 5.575 ( 1.935 -1.349 -1.970) 3.074 5.835 ( -22.260 28.307 35.004) 50.220 6.088 ( -27.913 35.290 20.917) 49.619 7.037 ( -0.226 31.687 -12.728) 34.148 7.364 ( -18.413 1.723 -15.332) 24.022 7.829 ( -19.198 16.927 0.591) 25.602 8.049 ( -26.632 9.548 -9.767) 29.931 8.569 ( 14.662 0.345 14.531) 20.646 9.071 ( 4.332 -7.547 4.359) 9.732 9.121 ( 12.159 17.950 20.080) 29.551 9.521 ( -2.878 -10.279 -8.251) 13.492 9.596 ( -15.110 -10.354 -0.646) 18.328 10.052 ( -4.865 -4.391 4.461) 7.928 10.406 ( 3.191 -5.799 -17.741) 18.936 10.530 ( -6.015 14.777 13.001) 20.581 10.590 ( 2.860 8.152 -2.980) 9.139 10.701 ( 2.249 7.830 -4.289) 9.206 11.007 ( 2.876 -5.160 -13.638) 14.862 11.261 ( -15.400 6.005 22.994) 28.319 11.676 ( -6.460 16.790 -4.054) 18.441 11.986 ( -7.175 18.463 -11.376) 22.843 12.191 ( -4.354 5.049 -11.858) 13.604 12.391 ( 5.781 3.676 -11.491) 13.378 12.545 ( 2.232 -3.908 -1.208) 4.660 12.849 ( 6.156 8.678 -21.417) 23.914 13.103 ( 5.010 -13.300 12.687) 19.052 13.378 ( 12.644 -9.781 -1.343) 16.042 13.996 ( 1.634 -12.406 8.704) 15.243 14.224 ( -5.515 -13.349 -4.415) 15.103 14.814 ( -3.435 -2.755 16.536) 17.112 14.895 ( -3.988 -6.620 -4.897) 9.150 15.594 ( -0.118 -3.419 -14.065) 14.476 15.725 ( 2.157 -1.567 15.588) 15.815 15.964 ( -0.450 -2.716 -18.617) 18.819 16.091 ( 7.767 -4.429 -0.145) 8.942 16.518 ( -2.473 -7.358 4.989) 9.227 16.655 ( -3.106 -6.264 2.964) 7.594 16.986 ( 10.379 2.616 8.015) 13.372 17.206 ( 9.062 -0.397 13.259) 16.065 17.470 ( 12.382 2.585 -9.113) 15.590 17.690 ( 0.622 3.362 3.218) 4.695 17.817 ( 2.879 0.263 2.598) 3.887 18.026 ( 3.679 1.829 -7.516) 8.566 18.176 ( -8.227 1.601 4.145) 9.350 18.463 ( -3.979 0.095 -15.499) 16.001 19.071 ( -0.924 0.378 7.071) 7.141 19.820 ( 15.961 -2.686 -18.985) 24.948 19.938 ( -6.080 1.473 19.273) 20.263 20.136 ( 3.734 1.278 -0.053) 3.948 20.305 ( 4.066 -2.590 4.050) 6.296 20.469 ( 6.542 3.453 -2.593) 7.839 20.927 ( 4.928 0.725 1.996) 5.367 21.046 ( 1.618 -1.423 1.161) 2.448 21.154 ( -2.441 -0.772 -2.612) 3.657 21.294 ( -2.123 -0.502 -6.523) 6.878 21.425 ( -8.466 -3.135 1.790) 9.204 21.487 ( -6.905 -2.977 2.140) 7.818 21.730 ( -5.283 0.946 -0.200) 5.371 21.800 ( 1.364 -5.844 5.794) 8.341 21.884 ( -0.924 -2.450 -0.411) 2.651 22.085 ( 3.278 -1.077 3.794) 5.129 22.339 ( 2.308 -1.109 -5.973) 6.498 22.409 ( 2.874 -0.811 -1.503) 3.343 22.631 ( -5.520 1.203 -2.926) 6.362 22.832 ( -1.552 -0.473 -9.254) 9.395 23.585 ( 1.715 2.119 7.718) 8.186 23.629 ( 1.192 2.985 3.715) 4.912 23.956 ( -7.500 -0.076 8.262) 11.159 24.343 ( 0.275 -0.388 -0.942) 1.055 24.871 ( -5.306 -0.535 9.828) 11.181 25.285 ( 0.548 0.424 -5.718) 5.760 25.370 ( 1.098 -0.178 -0.808) 1.375 25.462 ( 3.540 0.601 -4.169) 5.502 25.538 ( -2.507 0.003 5.659) 6.189 25.801 ( 3.678 0.622 0.026) 3.730 25.969 ( 0.285 -0.492 -0.079) 0.574 26.118 ( 0.333 0.554 3.114) 3.181 26.227 ( -2.953 -2.046 -12.628) 13.129 26.230 ( 0.277 -0.899 -0.083) 0.944 26.637 ( 1.287 -0.957 0.446) 1.665 26.688 ( 4.231 -0.438 -1.179) 4.414 27.115 ( -0.137 -1.212 0.053) 1.221 27.130 ( -0.442 -1.757 -0.750) 1.961 27.252 ( -1.285 -1.489 3.602) 4.104 27.417 ( 2.081 0.754 -2.759) 3.537 27.580 ( -1.378 -0.173 1.871) 2.330 27.637 ( 0.842 0.337 -1.534) 1.782 27.811 ( 1.887 -0.332 3.273) 3.792 27.942 ( 3.487 1.616 -2.427) 4.545 28.692 ( -5.105 0.052 0.977) 5.198 28.737 ( -3.532 -0.589 -1.031) 3.727 29.288 ( 4.808 -1.218 3.701) 6.189 29.435 ( 6.254 -1.012 -3.043) 7.029 ======================= Grid point 194 (68/100) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( -20.444 9.892 13.242) 26.290 4.235 ( -10.190 -0.763 -1.054) 10.272 5.119 ( -13.569 39.602 45.703) 61.977 5.170 ( -21.486 28.078 24.493) 43.011 5.545 ( 0.354 3.295 4.946) 5.954 5.671 ( 1.462 -1.295 -1.764) 2.632 6.644 ( -2.732 34.326 -32.957) 47.664 6.862 ( -19.591 22.056 -8.898) 30.814 7.088 ( -22.785 32.859 11.524) 41.614 7.860 ( -1.761 -3.743 -0.969) 4.248 8.787 ( 7.582 -0.326 7.687) 10.802 9.051 ( 6.665 12.947 16.535) 22.033 9.235 ( -6.246 -3.770 3.825) 8.238 9.455 ( -7.385 -8.724 -2.861) 11.782 9.506 ( -5.449 -5.468 -11.217) 13.616 10.058 ( 2.749 -0.752 16.813) 17.053 10.161 ( 0.144 27.579 14.494) 31.156 10.429 ( -3.135 2.940 -6.585) 7.864 10.602 ( -2.140 0.813 2.705) 3.544 10.782 ( 13.789 14.724 -25.677) 32.653 10.903 ( -14.850 7.780 29.771) 34.167 11.106 ( -0.064 -7.915 -17.814) 19.494 11.289 ( -8.276 20.512 -12.877) 25.595 11.620 ( -10.505 13.962 0.497) 17.480 12.163 ( 5.886 8.526 -29.726) 31.480 12.351 ( 1.952 6.357 -34.243) 34.882 12.611 ( -2.421 -2.783 -3.840) 5.324 12.957 ( 8.042 -0.381 -11.713) 14.214 13.450 ( 10.322 -19.631 14.529) 26.515 13.706 ( 9.593 -10.236 0.469) 14.036 14.093 ( -4.682 -11.630 1.370) 12.612 14.199 ( -8.843 -13.544 -4.459) 16.778 14.823 ( -0.744 -5.053 20.409) 21.039 14.919 ( -0.906 -6.473 -2.614) 7.040 15.594 ( -0.532 0.751 -7.785) 7.840 15.779 ( 1.344 -1.879 19.539) 19.675 16.041 ( 2.774 -5.567 -23.742) 24.543 16.308 ( 9.501 -4.128 0.862) 10.395 16.555 ( -3.840 -8.473 3.085) 9.801 16.678 ( -2.379 -9.897 6.153) 11.894 17.152 ( 9.619 2.452 10.759) 14.639 17.330 ( 2.694 0.206 15.965) 16.192 17.569 ( 3.501 5.802 3.213) 7.499 17.722 ( 7.331 0.525 -7.155) 10.257 17.855 ( 0.730 0.439 -2.794) 2.921 17.990 ( -6.264 1.710 6.859) 9.445 18.080 ( 0.777 3.017 -8.148) 8.723 18.398 ( -2.906 -1.418 -18.563) 18.842 19.069 ( 0.321 -0.690 20.161) 20.175 19.794 ( -5.582 2.492 21.036) 21.906 20.101 ( 9.312 0.108 -14.301) 17.066 20.179 ( 3.398 0.632 -2.717) 4.397 20.381 ( 1.806 -2.192 1.972) 3.457 20.580 ( 6.961 0.171 -4.125) 8.093 21.020 ( 4.745 -0.250 -0.109) 4.753 21.100 ( 0.999 -3.464 -0.545) 3.646 21.140 ( -0.289 -1.997 -5.763) 6.106 21.256 ( -4.399 -2.340 -11.023) 12.097 21.338 ( -3.763 -2.828 2.468) 5.314 21.402 ( -4.081 -2.094 -2.671) 5.308 21.628 ( -5.001 -1.144 6.048) 7.931 21.860 ( 0.345 -1.461 0.494) 1.580 21.932 ( 1.056 -6.165 6.781) 9.226 22.145 ( 1.933 -1.305 4.988) 5.506 22.402 ( 2.505 -2.235 -6.841) 7.620 22.453 ( 1.033 -0.754 -3.014) 3.274 22.532 ( -3.526 1.479 -2.692) 4.676 22.799 ( -1.883 0.213 -10.463) 10.634 23.584 ( 0.562 4.726 3.908) 6.158 23.613 ( 2.282 3.604 3.997) 5.846 23.820 ( -6.991 -0.437 11.052) 13.085 24.362 ( 0.850 -0.879 -8.675) 8.761 24.803 ( -2.943 -1.448 19.987) 20.255 25.280 ( -0.070 1.095 -4.074) 4.219 25.397 ( 1.286 -0.528 0.360) 1.436 25.476 ( -1.198 1.171 6.251) 6.471 25.516 ( 0.723 0.910 -3.034) 3.249 25.871 ( 3.761 -0.493 0.867) 3.891 25.978 ( 0.252 0.024 0.179) 0.310 26.125 ( 0.298 -0.751 2.572) 2.696 26.185 ( -3.202 -2.001 -15.902) 16.344 26.250 ( 0.395 -1.090 -1.693) 2.052 26.673 ( 0.959 -1.790 0.286) 2.050 26.756 ( 2.698 0.012 -2.081) 3.408 27.129 ( -0.105 -2.188 -0.141) 2.195 27.148 ( 0.034 -2.509 -1.084) 2.734 27.249 ( -0.747 -1.426 4.120) 4.424 27.440 ( 1.532 1.471 -3.642) 4.216 27.562 ( -0.921 -0.718 3.227) 3.431 27.647 ( 0.355 -0.283 -1.453) 1.522 27.843 ( 1.242 0.025 3.448) 3.665 27.978 ( 2.251 2.038 -2.487) 3.925 28.619 ( -2.627 0.245 1.862) 3.229 28.698 ( -1.553 -0.832 -1.721) 2.462 29.371 ( 2.650 -1.579 4.202) 5.213 29.538 ( 3.484 -1.433 -3.427) 5.093 ======================= Grid point 195 (69/100) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.635 ( 0.000 21.296 32.272) 38.665 4.140 ( -0.000 -0.405 -2.463) 2.496 4.505 ( 0.000 52.363 50.142) 72.499 4.740 ( 0.000 16.680 20.562) 26.477 5.534 ( 0.000 1.625 4.062) 4.375 5.705 ( -0.000 -2.153 -4.355) 4.858 6.294 ( 0.000 37.365 -8.808) 38.389 6.382 ( 0.000 22.600 -44.697) 50.086 6.480 ( 0.000 39.335 41.612) 57.261 7.916 ( -0.000 -7.673 0.950) 7.732 8.845 ( 0.000 2.869 7.369) 7.908 8.992 ( 0.000 14.152 5.149) 15.060 9.202 ( -0.000 -9.726 6.591) 11.749 9.408 ( -0.000 -4.147 -1.532) 4.421 9.522 ( 0.000 2.032 -16.653) 16.777 9.844 ( 0.000 27.148 15.063) 31.046 10.118 ( -0.000 -1.446 12.254) 12.339 10.409 ( 0.000 0.768 -2.052) 2.191 10.526 ( 0.000 12.682 -25.196) 28.207 10.558 ( 0.000 28.585 23.274) 36.861 10.790 ( 0.000 9.328 -6.517) 11.379 11.004 ( 0.000 0.738 -15.228) 15.246 11.257 ( -0.000 -12.028 -6.278) 13.568 11.435 ( 0.000 7.376 -0.187) 7.378 12.131 ( 0.000 9.581 -40.009) 41.140 12.362 ( 0.000 1.601 -42.279) 42.310 12.589 ( -0.000 -3.595 7.828) 8.614 13.072 ( -0.000 -2.961 -11.216) 11.600 13.759 ( -0.000 -17.536 19.544) 26.258 13.848 ( -0.000 -3.176 3.487) 4.716 14.080 ( -0.000 -4.667 -9.087) 10.216 14.312 ( -0.000 -19.402 -3.494) 19.714 14.876 ( -0.000 -5.953 19.909) 20.780 14.979 ( -0.000 -6.757 0.533) 6.778 15.571 ( 0.000 2.745 -4.422) 5.204 15.807 ( -0.000 -1.331 19.397) 19.443 16.130 ( -0.000 -5.236 -24.187) 24.748 16.469 ( 0.000 1.890 -10.833) 10.997 16.523 ( -0.000 -5.509 14.957) 15.939 16.774 ( -0.000 -10.879 9.576) 14.493 17.256 ( 0.000 5.212 18.263) 18.992 17.301 ( -0.000 -3.623 6.430) 7.381 17.600 ( -0.000 -1.156 5.290) 5.415 17.791 ( 0.000 2.979 -14.806) 15.103 17.856 ( -0.000 -0.285 -1.869) 1.891 17.900 ( 0.000 1.060 7.450) 7.525 18.054 ( 0.000 2.434 -5.037) 5.594 18.390 ( -0.000 -1.537 -18.627) 18.691 19.086 ( -0.000 -1.378 27.201) 27.236 19.711 ( 0.000 2.698 19.874) 20.056 20.116 ( 0.000 5.201 -3.568) 6.307 20.259 ( -0.000 -1.863 -8.341) 8.547 20.426 ( -0.000 -3.695 0.763) 3.773 20.671 ( -0.000 -2.211 -7.370) 7.694 21.068 ( -0.000 -0.120 -1.343) 1.348 21.162 ( -0.000 -3.503 -15.127) 15.527 21.162 ( -0.000 -3.197 -0.105) 3.199 21.215 ( -0.000 -0.275 -2.046) 2.064 21.337 ( -0.000 -4.959 0.009) 4.959 21.390 ( -0.000 -1.398 -6.589) 6.736 21.592 ( -0.000 -1.630 10.337) 10.464 21.870 ( -0.000 -0.476 -1.336) 1.418 22.008 ( -0.000 -6.170 8.263) 10.313 22.179 ( -0.000 -1.517 5.142) 5.361 22.447 ( 0.000 0.402 2.833) 2.861 22.473 ( -0.000 -3.092 -9.999) 10.467 22.487 ( 0.000 0.825 -6.111) 6.166 22.773 ( 0.000 0.707 -10.860) 10.883 23.531 ( 0.000 5.179 2.487) 5.745 23.600 ( 0.000 5.978 -1.158) 6.089 23.758 ( -0.000 -2.614 16.865) 17.066 24.380 ( -0.000 -0.863 -13.316) 13.344 24.795 ( -0.000 -1.912 25.045) 25.118 25.267 ( 0.000 1.102 -3.332) 3.510 25.418 ( -0.000 -0.217 0.062) 0.225 25.447 ( 0.000 0.830 9.291) 9.328 25.510 ( 0.000 1.594 -3.130) 3.513 25.920 ( -0.000 -0.371 3.999) 4.016 25.978 ( -0.000 -0.056 0.914) 0.916 26.144 ( -0.000 -1.924 1.210) 2.273 26.168 ( -0.000 -1.700 -19.773) 19.846 26.263 ( -0.000 -0.724 -2.114) 2.234 26.703 ( -0.000 -2.075 -0.524) 2.140 26.780 ( 0.000 0.192 -2.539) 2.547 27.154 ( -0.000 -2.670 -0.061) 2.671 27.177 ( -0.000 -2.741 -1.419) 3.087 27.255 ( -0.000 -1.352 3.975) 4.198 27.438 ( 0.000 1.760 -3.652) 4.054 27.563 ( -0.000 -1.044 3.762) 3.904 27.655 ( -0.000 -0.423 -1.211) 1.282 27.853 ( 0.000 0.195 3.284) 3.290 27.978 ( 0.000 2.189 -2.137) 3.059 28.592 ( 0.000 0.248 2.441) 2.454 28.693 ( -0.000 -0.861 -2.171) 2.335 29.413 ( -0.000 -1.642 4.363) 4.661 29.586 ( -0.000 -1.533 -3.571) 3.887 ======================= Grid point 200 (70/100) ======================= q-point: (-0.67 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.701 ( -14.647 0.000 3.409) 15.039 4.842 ( -17.933 0.000 -3.537) 18.279 5.382 ( 7.242 -0.000 1.298) 7.358 5.456 ( 5.063 -0.000 -2.585) 5.685 6.715 ( -24.168 0.000 16.546) 29.289 6.942 ( -3.449 0.000 -1.492) 3.758 7.672 ( 26.052 -0.000 -0.249) 26.053 7.746 ( 10.962 -0.000 -1.676) 11.090 8.138 ( -37.345 0.000 14.418) 40.032 8.168 ( 16.230 -0.000 16.593) 23.211 8.509 ( 9.461 -0.000 21.037) 23.067 9.114 ( -8.640 0.000 -5.920) 10.473 9.359 ( -38.965 0.000 -14.147) 41.453 9.514 ( -12.039 0.000 -7.400) 14.132 9.662 ( -6.672 0.000 -0.358) 6.682 9.886 ( 8.703 -0.000 -22.869) 24.469 10.066 ( -0.458 0.000 -7.648) 7.661 10.472 ( 5.701 -0.000 2.498) 6.224 10.496 ( 11.407 -0.000 -23.313) 25.954 10.743 ( 17.178 -0.000 -7.070) 18.576 11.368 ( 6.092 -0.000 7.741) 9.850 11.480 ( 10.716 -0.000 7.557) 13.112 11.818 ( 7.773 -0.000 9.888) 12.577 12.008 ( -2.156 0.000 5.148) 5.581 12.484 ( -14.569 0.000 20.220) 24.922 12.558 ( -0.609 0.000 -1.834) 1.933 12.611 ( 5.563 -0.000 8.343) 10.028 12.768 ( -23.843 0.000 2.012) 23.927 13.012 ( 1.001 -0.000 -0.924) 1.362 13.156 ( 8.117 -0.000 -1.198) 8.205 13.682 ( 1.024 -0.000 2.172) 2.402 14.092 ( 2.563 -0.000 -16.704) 16.899 14.860 ( -3.990 0.000 -5.436) 6.743 14.915 ( -11.654 0.000 8.347) 14.335 15.412 ( 2.450 -0.000 -12.379) 12.620 15.759 ( -1.551 0.000 8.691) 8.829 15.907 ( 2.578 -0.000 -1.540) 3.002 16.055 ( -7.802 0.000 -18.666) 20.231 16.542 ( -8.117 0.000 8.140) 11.495 16.566 ( -1.293 0.000 7.375) 7.487 16.931 ( 3.027 -0.000 5.155) 5.978 17.026 ( 7.511 -0.000 3.042) 8.104 17.234 ( 12.140 -0.000 -11.245) 16.548 17.558 ( 14.791 -0.000 -8.120) 16.873 17.861 ( -0.948 0.000 7.609) 7.668 17.963 ( 4.780 -0.000 0.142) 4.782 18.348 ( -6.746 0.000 2.685) 7.261 18.510 ( -0.464 0.000 -10.763) 10.773 19.135 ( -4.674 0.000 -5.628) 7.316 19.478 ( 14.443 -0.000 -16.204) 21.706 20.043 ( -1.828 0.000 15.028) 15.139 20.102 ( 3.862 -0.000 3.529) 5.232 20.157 ( 3.317 -0.000 2.996) 4.469 20.440 ( 5.431 -0.000 -6.842) 8.736 20.901 ( 1.383 -0.000 5.209) 5.389 21.013 ( 1.884 -0.000 2.960) 3.509 21.241 ( -6.199 0.000 -1.811) 6.458 21.356 ( -1.861 0.000 2.617) 3.212 21.458 ( -5.303 0.000 5.169) 7.406 21.566 ( -7.659 0.000 3.639) 8.480 21.660 ( -0.860 0.000 6.275) 6.333 21.853 ( -1.025 0.000 -1.156) 1.545 21.908 ( -7.276 0.000 -7.812) 10.676 21.999 ( 4.005 -0.000 -0.489) 4.035 22.306 ( 0.923 -0.000 -3.970) 4.076 22.312 ( 4.287 -0.000 3.219) 5.361 22.757 ( -5.771 0.000 -4.959) 7.609 22.833 ( 0.145 -0.000 -7.300) 7.302 23.590 ( 0.932 -0.000 8.311) 8.363 23.625 ( 3.381 -0.000 5.086) 6.107 24.074 ( -5.809 0.000 7.996) 9.883 24.347 ( -0.239 0.000 2.688) 2.699 24.978 ( -6.898 0.000 1.301) 7.020 25.253 ( 3.468 -0.000 -9.714) 10.314 25.350 ( 0.866 -0.000 -1.733) 1.937 25.404 ( 2.456 -0.000 -3.083) 3.942 25.584 ( -2.217 0.000 6.326) 6.703 25.754 ( 3.368 -0.000 1.099) 3.542 25.963 ( -0.657 0.000 -0.303) 0.723 26.159 ( 0.565 -0.000 -1.699) 1.791 26.178 ( -1.306 0.000 3.613) 3.842 26.250 ( -1.277 0.000 -7.298) 7.409 26.598 ( 3.665 -0.000 -0.761) 3.743 26.610 ( 0.542 -0.000 -0.398) 0.672 27.100 ( -0.047 0.000 0.990) 0.991 27.120 ( -1.161 0.000 -0.820) 1.421 27.257 ( -2.034 0.000 2.651) 3.341 27.387 ( 1.787 -0.000 -2.130) 2.780 27.606 ( -1.138 0.000 0.539) 1.259 27.634 ( 0.949 -0.000 -1.502) 1.777 27.765 ( 1.804 -0.000 3.764) 4.174 27.904 ( 3.317 -0.000 -2.427) 4.111 28.805 ( -7.292 0.000 0.132) 7.293 28.815 ( -5.877 0.000 -0.270) 5.883 29.169 ( 5.987 -0.000 2.988) 6.691 29.290 ( 7.883 -0.000 -2.537) 8.281 ======================= Grid point 202 (71/100) ======================= q-point: (-0.56 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.433 ( -14.462 -0.556 1.953) 14.604 4.499 ( -18.743 0.518 -1.110) 18.783 5.477 ( 3.420 0.768 0.812) 3.598 5.538 ( 3.017 -1.438 -1.833) 3.811 6.196 ( -24.362 9.048 29.323) 39.181 6.768 ( -12.952 21.585 2.517) 25.298 7.245 ( -34.077 0.009 16.644) 37.924 7.777 ( 2.515 26.342 -10.026) 28.297 8.028 ( 8.125 3.609 -2.747) 9.305 8.269 ( -32.548 5.986 -17.511) 37.441 8.479 ( 11.487 -8.597 13.205) 19.499 8.962 ( 1.410 2.068 3.229) 4.085 9.174 ( 2.856 -12.137 8.354) 15.008 9.345 ( -13.754 -6.276 -7.602) 16.922 9.500 ( -4.606 2.499 -0.497) 5.263 9.966 ( 2.020 -3.694 0.237) 4.217 10.196 ( 5.093 -8.639 -17.968) 20.577 10.594 ( 9.126 5.171 -6.818) 12.511 10.688 ( 7.384 -2.675 -11.801) 14.175 10.951 ( 2.957 1.625 -2.711) 4.328 11.236 ( -4.221 21.764 17.212) 28.067 11.480 ( -4.428 16.943 17.270) 24.595 11.906 ( 2.198 6.252 8.431) 10.723 12.082 ( 2.527 -13.800 5.727) 15.153 12.277 ( -2.285 -2.486 3.455) 4.831 12.356 ( -8.048 -2.211 5.707) 10.111 12.523 ( 0.559 10.212 -8.847) 13.523 12.808 ( -0.780 -12.793 -2.609) 13.079 13.074 ( 3.611 3.569 -13.824) 14.727 13.316 ( 11.455 6.958 -5.116) 14.345 13.760 ( -0.148 -12.859 -0.472) 12.868 14.045 ( -6.465 -1.433 -16.615) 17.886 14.757 ( -6.316 -2.267 11.464) 13.283 14.804 ( -2.814 -2.363 -7.836) 8.655 15.473 ( 1.208 -4.978 -13.911) 14.824 15.739 ( 0.568 1.427 13.923) 14.008 15.918 ( -3.051 -1.636 -14.471) 14.879 16.016 ( 4.771 -2.218 -0.152) 5.263 16.412 ( -6.434 -2.889 8.356) 10.934 16.542 ( -4.612 -3.566 2.717) 6.432 17.026 ( 9.076 1.038 6.318) 11.108 17.217 ( 11.189 0.700 13.370) 17.449 17.485 ( 14.006 -0.208 -11.705) 18.254 17.762 ( 6.582 2.104 -1.183) 7.011 17.829 ( -1.069 0.967 6.312) 6.474 18.049 ( 5.146 0.407 -8.437) 9.891 18.204 ( -8.256 0.929 5.807) 10.137 18.468 ( -3.912 0.198 -14.660) 15.174 19.074 ( -2.052 0.024 5.519) 5.888 19.775 ( 16.620 -1.338 -18.165) 24.657 19.959 ( -6.159 0.595 20.711) 21.616 20.173 ( 4.479 1.841 1.893) 5.200 20.255 ( 5.040 -2.049 4.602) 7.126 20.531 ( 5.322 1.896 -4.635) 7.307 20.948 ( 3.983 0.778 0.784) 4.133 21.032 ( 0.136 -0.075 1.444) 1.452 21.150 ( -3.098 0.336 -2.933) 4.279 21.274 ( -6.945 -1.478 -9.466) 11.834 21.378 ( -3.645 -0.805 8.506) 9.289 21.432 ( -7.308 -1.980 2.533) 7.984 21.699 ( 1.791 -3.048 7.794) 8.559 21.750 ( -8.037 0.707 -4.547) 9.261 21.848 ( -0.470 -1.066 -1.057) 1.573 22.071 ( 3.361 -0.353 0.596) 3.431 22.320 ( 0.665 -0.570 -5.595) 5.663 22.394 ( 3.736 -0.495 2.455) 4.498 22.650 ( -5.318 0.550 -3.786) 6.551 22.825 ( -0.958 -0.144 -8.802) 8.855 23.609 ( 1.542 0.437 10.345) 10.468 23.674 ( 2.242 1.214 4.488) 5.161 23.961 ( -6.426 0.305 6.132) 8.888 24.338 ( -0.272 -0.106 -1.608) 1.634 24.862 ( -5.832 -0.241 9.479) 11.132 25.292 ( 1.281 0.219 -6.791) 6.914 25.367 ( 0.882 -0.134 -1.162) 1.465 25.473 ( 4.468 0.327 -6.065) 7.540 25.536 ( -2.831 -0.129 7.560) 8.074 25.810 ( 2.924 0.231 1.497) 3.293 25.963 ( 0.409 -0.157 -0.866) 0.971 26.144 ( -0.124 1.764 -0.013) 1.768 26.183 ( -1.140 -2.037 -5.797) 6.249 26.215 ( -1.855 -0.555 -4.470) 4.871 26.623 ( 0.622 -0.404 1.061) 1.294 26.681 ( 4.672 -0.188 -0.920) 4.765 27.098 ( -0.712 -0.375 -0.050) 0.806 27.102 ( -0.832 -0.842 -0.293) 1.219 27.231 ( -1.027 -0.519 4.157) 4.313 27.428 ( 2.647 0.333 -3.826) 4.665 27.576 ( -1.818 -0.104 1.960) 2.675 27.641 ( 0.107 0.109 -1.785) 1.791 27.807 ( 2.313 -0.117 4.058) 4.673 27.966 ( 3.605 0.639 -3.070) 4.778 28.693 ( -4.840 0.069 0.749) 4.898 28.727 ( -3.787 -0.286 -0.749) 3.871 29.270 ( 4.627 -0.482 3.772) 5.989 29.420 ( 5.999 -0.412 -3.099) 6.764 ======================= Grid point 203 (72/100) ======================= q-point: (-0.44 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.157 ( -14.748 3.337 4.543) 15.789 4.218 ( -9.927 -0.826 0.425) 9.970 5.452 ( -7.254 5.542 9.754) 13.359 5.577 ( 0.256 0.478 1.076) 1.204 5.742 ( -7.407 12.625 26.648) 30.403 6.020 ( -21.823 33.671 35.120) 53.324 7.024 ( -4.859 -2.922 -9.646) 11.189 7.357 ( -14.439 26.367 -32.741) 44.449 7.667 ( -11.343 27.970 -5.848) 30.744 8.013 ( 3.262 17.159 -4.430) 18.019 8.736 ( 5.919 -7.372 9.073) 13.104 8.929 ( -9.185 -9.001 3.308) 13.279 9.146 ( -12.699 -12.459 -1.946) 17.896 9.299 ( -4.790 -11.543 -0.891) 12.530 9.574 ( 12.730 7.781 6.525) 16.284 10.071 ( 6.849 0.461 8.282) 10.757 10.333 ( 0.649 -5.589 -7.408) 9.303 10.619 ( 0.466 10.194 11.043) 15.036 10.766 ( 3.283 12.732 11.911) 17.741 10.817 ( 0.871 3.937 -15.004) 15.536 10.966 ( -11.680 8.717 18.236) 23.345 11.354 ( 10.692 17.066 -2.128) 20.251 11.675 ( -8.187 12.480 4.452) 15.576 12.043 ( -10.251 25.200 -8.551) 28.518 12.264 ( 9.027 0.538 -4.640) 10.164 12.507 ( 0.781 3.269 -31.163) 31.343 12.509 ( 2.930 -10.091 -1.567) 10.624 12.838 ( -5.098 -9.401 -4.517) 11.610 13.141 ( 8.704 -5.891 -2.509) 10.805 13.520 ( 10.494 -6.330 -5.628) 13.486 13.847 ( -4.368 -10.920 -3.639) 12.311 13.951 ( -9.534 -10.125 -11.326) 17.936 14.723 ( -1.816 -4.415 15.626) 16.339 14.814 ( 0.069 -3.921 -4.783) 6.186 15.539 ( -0.286 -5.502 -13.619) 14.691 15.756 ( 1.707 -0.073 19.688) 19.762 15.926 ( 0.463 -4.762 -16.966) 17.628 16.184 ( 7.662 -6.374 2.809) 10.355 16.377 ( -3.120 -7.717 6.650) 10.654 16.494 ( -6.092 -7.243 0.344) 9.470 17.190 ( 8.721 1.352 9.818) 13.201 17.374 ( 6.506 2.795 16.174) 17.656 17.706 ( 7.284 4.313 -5.297) 9.986 17.738 ( 3.371 2.850 0.524) 4.446 17.855 ( 0.916 -0.293 -1.287) 1.607 18.032 ( -7.493 2.028 8.174) 11.273 18.133 ( 3.225 1.891 -11.955) 12.526 18.383 ( -4.242 -0.124 -17.297) 17.810 19.054 ( -0.683 -0.690 18.434) 18.460 19.836 ( -5.203 1.529 21.335) 22.013 20.073 ( 12.627 -1.715 -16.221) 20.627 20.218 ( 2.553 2.526 -0.010) 3.591 20.347 ( 2.554 -1.565 3.617) 4.696 20.601 ( 4.356 1.392 -4.748) 6.592 21.018 ( 3.522 -0.016 -0.780) 3.607 21.041 ( 0.447 -2.067 -1.679) 2.700 21.104 ( -2.688 -0.879 -4.915) 5.670 21.192 ( -3.889 -3.600 -6.363) 8.281 21.296 ( -6.003 -1.319 1.485) 6.323 21.375 ( -0.970 -0.715 -3.913) 4.095 21.603 ( -6.509 -1.317 5.271) 8.478 21.787 ( 1.926 -4.721 7.939) 9.436 21.856 ( -0.112 -1.443 -0.515) 1.536 22.124 ( 1.849 -0.721 2.475) 3.173 22.348 ( 0.862 -2.353 -8.120) 8.498 22.447 ( 1.579 -0.081 2.108) 2.635 22.562 ( -3.124 1.240 -3.944) 5.182 22.804 ( -1.154 0.233 -9.942) 10.011 23.642 ( 2.800 0.619 11.453) 11.807 23.677 ( 0.525 2.987 3.966) 4.993 23.836 ( -6.057 1.535 4.983) 7.992 24.348 ( 0.843 -0.503 -8.794) 8.849 24.778 ( -3.764 -0.983 19.963) 20.338 25.302 ( 0.455 0.951 -5.009) 5.119 25.386 ( 0.918 -0.467 -0.424) 1.114 25.489 ( -2.048 0.168 7.588) 7.861 25.538 ( 2.775 1.038 -6.389) 7.042 25.859 ( 2.434 -0.409 1.885) 3.106 25.976 ( 0.552 -0.368 -1.016) 1.214 26.128 ( -0.292 0.480 -2.650) 2.709 26.150 ( -2.703 -0.811 -11.077) 11.430 26.222 ( 0.213 -1.670 -0.297) 1.710 26.641 ( 0.468 -1.205 1.560) 2.026 26.756 ( 3.041 -0.021 -1.987) 3.633 27.091 ( -0.681 -1.410 -0.136) 1.572 27.104 ( -0.420 -1.643 -0.899) 1.920 27.227 ( -0.292 -0.718 5.159) 5.217 27.466 ( 1.980 0.999 -4.937) 5.413 27.550 ( -1.244 -0.455 3.209) 3.472 27.640 ( -0.244 -0.338 -1.681) 1.732 27.843 ( 1.445 -0.002 4.308) 4.544 28.013 ( 2.333 1.261 -3.351) 4.273 28.625 ( -2.388 0.327 1.354) 2.764 28.682 ( -1.705 -0.667 -1.217) 2.198 29.344 ( 2.525 -1.032 4.278) 5.073 29.513 ( 3.281 -0.953 -3.460) 4.863 ======================= Grid point 204 (73/100) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.938 ( 0.000 8.918 12.728) 15.541 4.129 ( -0.000 -0.610 -0.526) 0.805 5.161 ( 0.000 21.086 26.674) 34.002 5.453 ( 0.000 39.108 50.726) 64.051 5.570 ( 0.000 1.872 2.604) 3.207 5.678 ( 0.000 0.616 1.367) 1.499 6.865 ( 0.000 23.431 -41.254) 47.444 6.998 ( 0.000 21.005 -14.095) 25.296 7.226 ( 0.000 34.976 5.093) 35.345 7.874 ( 0.000 10.662 -2.515) 10.954 8.847 ( -0.000 -2.079 9.840) 10.057 8.929 ( -0.000 -14.421 5.646) 15.487 9.167 ( -0.000 -15.039 -5.928) 16.165 9.310 ( 0.000 3.537 13.245) 13.709 9.589 ( 0.000 10.611 -8.356) 13.506 10.140 ( 0.000 3.812 17.738) 18.143 10.358 ( -0.000 -1.539 -5.717) 5.920 10.558 ( 0.000 33.859 15.253) 37.136 10.597 ( -0.000 -1.154 6.644) 6.743 10.701 ( 0.000 1.061 32.138) 32.155 10.915 ( -0.000 -10.533 -23.479) 25.734 11.318 ( 0.000 15.039 -9.534) 17.806 11.482 ( 0.000 41.773 -14.792) 44.315 11.589 ( 0.000 7.519 3.259) 8.194 12.335 ( 0.000 9.397 -26.090) 27.731 12.435 ( 0.000 6.036 -36.295) 36.794 12.530 ( -0.000 -2.117 -9.744) 9.971 12.945 ( -0.000 -12.736 -4.861) 13.632 13.395 ( -0.000 -17.103 11.837) 20.799 13.739 ( -0.000 -7.775 1.285) 7.880 13.909 ( -0.000 -15.694 -5.865) 16.754 13.929 ( -0.000 -10.565 -10.408) 14.831 14.759 ( -0.000 -5.366 18.864) 19.612 14.862 ( -0.000 -4.682 -2.280) 5.208 15.576 ( -0.000 -2.781 -10.700) 11.056 15.781 ( -0.000 -0.982 22.610) 22.631 16.000 ( -0.000 -6.993 -22.221) 23.295 16.360 ( -0.000 -9.346 11.355) 14.706 16.429 ( -0.000 -4.593 -9.216) 10.297 16.516 ( -0.000 -13.551 8.134) 15.805 17.274 ( 0.000 0.604 11.684) 11.700 17.372 ( 0.000 5.556 14.181) 15.230 17.672 ( 0.000 7.051 7.611) 10.375 17.831 ( 0.000 1.033 -8.772) 8.833 17.851 ( -0.000 -0.140 -4.579) 4.581 17.929 ( 0.000 1.349 8.140) 8.251 18.122 ( 0.000 3.955 -10.013) 10.765 18.354 ( -0.000 -1.656 -18.778) 18.851 19.058 ( -0.000 -1.260 25.318) 25.350 19.764 ( 0.000 2.340 20.026) 20.162 20.204 ( 0.000 3.543 -3.031) 4.662 20.221 ( -0.000 -1.754 -10.398) 10.545 20.380 ( -0.000 -1.114 2.054) 2.336 20.646 ( -0.000 -0.417 -8.206) 8.216 21.059 ( -0.000 -1.510 -4.942) 5.168 21.086 ( -0.000 -2.795 -6.278) 6.872 21.089 ( -0.000 -3.284 0.147) 3.288 21.198 ( -0.000 -1.078 -3.673) 3.828 21.240 ( -0.000 -4.103 1.348) 4.319 21.376 ( -0.000 -0.195 -11.944) 11.946 21.557 ( -0.000 -1.970 13.062) 13.210 21.848 ( -0.000 -2.624 3.253) 4.180 21.882 ( -0.000 -4.733 4.426) 6.480 22.151 ( -0.000 -1.114 3.857) 4.014 22.393 ( -0.000 -3.928 -10.101) 10.837 22.456 ( 0.000 0.422 3.553) 3.578 22.519 ( 0.000 1.636 -5.365) 5.609 22.787 ( 0.000 0.637 -10.439) 10.458 23.636 ( 0.000 4.716 3.363) 5.793 23.707 ( -0.000 -2.173 17.606) 17.740 23.716 ( 0.000 5.044 -1.094) 5.161 24.364 ( -0.000 -0.651 -13.637) 13.652 24.756 ( -0.000 -1.749 25.765) 25.824 25.293 ( 0.000 1.369 -4.191) 4.408 25.405 ( -0.000 -0.885 -0.405) 0.973 25.462 ( 0.000 0.605 8.215) 8.238 25.547 ( 0.000 1.895 -5.270) 5.600 25.896 ( -0.000 -1.332 2.988) 3.271 25.985 ( -0.000 -0.020 -0.550) 0.550 26.125 ( 0.000 0.383 3.168) 3.191 26.129 ( -0.000 -1.947 -19.423) 19.521 26.241 ( -0.000 -1.495 -1.180) 1.905 26.662 ( -0.000 -1.829 1.152) 2.161 26.784 ( 0.000 0.161 -2.513) 2.518 27.104 ( -0.000 -2.156 -0.060) 2.157 27.122 ( -0.000 -2.478 -1.274) 2.786 27.232 ( -0.000 -0.846 5.171) 5.240 27.473 ( 0.000 1.537 -5.091) 5.318 27.544 ( -0.000 -0.759 3.822) 3.897 27.643 ( -0.000 -0.668 -1.424) 1.573 27.856 ( 0.000 0.091 4.138) 4.139 28.019 ( 0.000 1.773 -3.182) 3.642 28.599 ( 0.000 0.434 1.839) 1.889 28.675 ( -0.000 -0.867 -1.612) 1.830 29.380 ( -0.000 -1.447 4.438) 4.668 29.555 ( -0.000 -1.369 -3.590) 3.842 ======================= Grid point 211 (74/100) ======================= q-point: (-0.56 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.194 ( -13.717 0.000 2.540) 13.950 4.204 ( -9.440 0.000 1.112) 9.505 5.493 ( -2.454 0.000 3.576) 4.337 5.570 ( 1.368 -0.000 -1.218) 1.832 5.908 ( -10.964 0.000 31.536) 33.387 6.436 ( -33.499 0.000 40.899) 52.866 6.901 ( 4.786 -0.000 -13.160) 14.003 7.636 ( -28.815 0.000 -34.125) 44.663 8.129 ( 9.459 -0.000 4.992) 10.696 8.237 ( 5.451 -0.000 -12.620) 13.747 8.541 ( 4.692 -0.000 9.751) 10.821 8.890 ( -17.102 0.000 0.177) 17.103 8.976 ( -8.618 0.000 -1.782) 8.801 9.074 ( -6.270 0.000 -11.935) 13.482 9.636 ( 13.760 -0.000 15.329) 20.599 10.058 ( 5.860 -0.000 -3.889) 7.033 10.234 ( 3.504 -0.000 -10.812) 11.366 10.697 ( 0.530 -0.000 -8.728) 8.744 10.859 ( -8.907 0.000 9.341) 12.907 10.921 ( 16.430 -0.000 2.815) 16.669 11.361 ( -2.391 0.000 19.723) 19.868 11.567 ( -10.245 0.000 5.392) 11.577 11.750 ( 0.578 -0.000 16.762) 16.772 12.082 ( 0.994 -0.000 13.170) 13.208 12.259 ( 7.013 -0.000 7.100) 9.980 12.348 ( 4.590 -0.000 -10.913) 11.839 12.645 ( -3.299 0.000 -3.994) 5.180 12.757 ( 4.181 -0.000 -24.265) 24.623 13.116 ( -0.711 0.000 -10.806) 10.829 13.500 ( 3.503 -0.000 -7.185) 7.994 13.623 ( -2.338 0.000 -10.766) 11.017 13.891 ( -8.338 0.000 -22.942) 24.410 14.669 ( -1.992 0.000 14.172) 14.311 14.769 ( 0.049 -0.000 -8.175) 8.175 15.462 ( 0.417 -0.000 -12.582) 12.589 15.761 ( 1.066 -0.000 17.766) 17.798 15.874 ( -0.701 0.000 -13.297) 13.315 16.110 ( 6.456 -0.000 3.070) 7.149 16.288 ( -4.317 0.000 9.497) 10.432 16.419 ( -6.286 0.000 -1.838) 6.549 17.205 ( 8.815 -0.000 9.871) 13.234 17.406 ( 7.530 -0.000 14.834) 16.636 17.723 ( 10.936 -0.000 -11.453) 15.836 17.804 ( -0.449 0.000 6.333) 6.349 17.848 ( 1.454 -0.000 -1.551) 2.126 18.056 ( -8.229 0.000 8.613) 11.912 18.152 ( 4.844 -0.000 -12.751) 13.640 18.384 ( -4.828 0.000 -16.578) 17.267 19.046 ( -0.974 0.000 17.737) 17.764 19.852 ( -5.039 0.000 21.440) 22.024 20.053 ( 13.209 -0.000 -16.125) 20.845 20.256 ( 2.830 -0.000 -0.277) 2.844 20.322 ( 3.164 -0.000 5.258) 6.137 20.618 ( 2.954 -0.000 -4.306) 5.222 21.016 ( -1.325 0.000 -1.162) 1.763 21.021 ( 3.451 -0.000 -3.172) 4.688 21.114 ( -7.029 0.000 -6.553) 9.610 21.134 ( 0.873 -0.000 -2.018) 2.199 21.284 ( -6.920 0.000 0.357) 6.929 21.368 ( 0.504 -0.000 -2.735) 2.781 21.586 ( -7.216 0.000 4.702) 8.612 21.734 ( 1.700 -0.000 7.610) 7.798 21.841 ( 0.028 -0.000 -0.982) 0.982 22.117 ( 1.824 -0.000 0.592) 1.918 22.323 ( 0.265 -0.000 -6.653) 6.658 22.446 ( 1.947 -0.000 2.984) 3.564 22.575 ( -2.989 0.000 -4.292) 5.230 22.807 ( -0.897 0.000 -9.778) 9.819 23.644 ( 2.086 -0.000 13.915) 14.071 23.709 ( 0.849 -0.000 4.068) 4.155 23.856 ( -5.073 0.000 2.957) 5.872 24.343 ( 0.826 -0.000 -8.863) 8.902 24.767 ( -4.095 0.000 19.926) 20.343 25.312 ( 0.749 -0.000 -5.487) 5.538 25.381 ( 0.657 -0.000 -0.573) 0.872 25.489 ( -1.915 0.000 7.641) 7.877 25.550 ( 3.247 -0.000 -7.389) 8.071 25.856 ( 1.948 -0.000 2.349) 3.052 25.970 ( 0.361 -0.000 -0.689) 0.778 26.122 ( -2.702 0.000 -17.447) 17.655 26.164 ( 0.117 -0.000 3.224) 3.226 26.194 ( -0.196 0.000 -0.086) 0.214 26.628 ( 0.281 -0.000 2.044) 2.064 26.756 ( 3.192 -0.000 -1.974) 3.754 27.076 ( -0.846 0.000 -0.104) 0.853 27.087 ( -0.615 0.000 -0.831) 1.034 27.220 ( -0.129 0.000 5.536) 5.538 27.477 ( 2.142 -0.000 -5.478) 5.882 27.545 ( -1.341 0.000 3.174) 3.445 27.636 ( -0.482 0.000 -1.766) 1.831 27.843 ( 1.490 -0.000 4.702) 4.933 28.026 ( 2.342 -0.000 -3.653) 4.339 28.629 ( -2.254 0.000 1.075) 2.497 28.675 ( -1.783 0.000 -0.948) 2.019 29.333 ( 2.475 -0.000 4.304) 4.965 29.503 ( 3.205 -0.000 -3.471) 4.725 ======================= Grid point 213 (75/100) ======================= q-point: (-0.44 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.044 ( 0.000 2.427 5.948) 6.424 4.117 ( -0.000 -0.535 0.597) 0.802 5.425 ( 0.000 4.620 12.678) 13.494 5.584 ( -0.000 -0.305 -0.974) 1.020 5.789 ( 0.000 7.224 21.402) 22.589 6.031 ( 0.000 16.244 48.729) 51.366 7.031 ( -0.000 -5.444 -10.644) 11.955 7.247 ( 0.000 11.581 -39.634) 41.291 7.991 ( 0.000 34.958 -5.201) 35.343 8.265 ( 0.000 16.278 -8.496) 18.362 8.681 ( -0.000 -13.975 8.770) 16.499 8.696 ( -0.000 -6.704 4.264) 7.945 8.895 ( -0.000 -9.193 -5.093) 10.510 9.130 ( -0.000 -13.163 -6.926) 14.874 9.776 ( 0.000 4.092 9.495) 10.339 10.132 ( -0.000 -3.155 -0.977) 3.303 10.295 ( -0.000 -4.547 -9.937) 10.928 10.688 ( -0.000 -0.167 30.236) 30.237 10.776 ( -0.000 -1.275 -19.293) 19.335 11.011 ( 0.000 35.731 28.111) 45.464 11.083 ( 0.000 13.512 6.345) 14.927 11.483 ( -0.000 -2.680 3.749) 4.608 11.738 ( 0.000 7.716 2.338) 8.063 12.228 ( 0.000 27.222 -13.174) 30.243 12.301 ( -0.000 -29.187 6.550) 29.913 12.383 ( -0.000 -3.547 15.795) 16.188 12.576 ( 0.000 4.323 -21.304) 21.739 12.746 ( 0.000 6.933 -24.788) 25.739 13.149 ( -0.000 -8.245 -6.797) 10.686 13.565 ( -0.000 -6.344 -2.388) 6.779 13.675 ( -0.000 -11.922 -13.193) 17.782 13.788 ( 0.000 1.053 -23.308) 23.331 14.670 ( -0.000 -2.968 15.658) 15.937 14.786 ( -0.000 -2.398 -6.476) 6.905 15.487 ( -0.000 -3.924 -12.685) 13.278 15.773 ( 0.000 0.043 20.031) 20.031 15.887 ( -0.000 -3.276 -14.331) 14.701 16.212 ( -0.000 -3.823 8.691) 9.495 16.287 ( -0.000 -7.297 8.829) 11.454 16.349 ( -0.000 -2.317 -7.270) 7.630 17.296 ( 0.000 0.891 13.955) 13.983 17.455 ( 0.000 2.206 10.049) 10.288 17.805 ( 0.000 4.308 7.083) 8.290 17.842 ( 0.000 0.234 -6.533) 6.538 17.850 ( -0.000 -0.053 -6.455) 6.455 17.947 ( 0.000 0.427 10.096) 10.105 18.189 ( 0.000 2.049 -13.041) 13.201 18.331 ( -0.000 -0.524 -17.611) 17.618 19.039 ( -0.000 -0.524 24.011) 24.016 19.798 ( 0.000 0.878 20.162) 20.181 20.194 ( -0.000 -0.732 -11.829) 11.851 20.267 ( 0.000 2.409 -2.211) 3.269 20.359 ( -0.000 -1.156 4.172) 4.330 20.643 ( -0.000 -0.042 -7.132) 7.132 21.011 ( -0.000 -1.628 -6.331) 6.537 21.046 ( -0.000 -0.929 -1.036) 1.391 21.062 ( -0.000 -0.562 -3.547) 3.591 21.181 ( -0.000 -0.488 -5.201) 5.224 21.185 ( -0.000 -1.241 2.885) 3.140 21.375 ( 0.000 0.032 -13.764) 13.764 21.520 ( -0.000 -1.279 15.395) 15.448 21.765 ( -0.000 -2.836 7.925) 8.417 21.846 ( -0.000 -0.682 -0.947) 1.167 22.136 ( -0.000 -0.382 1.354) 1.407 22.334 ( -0.000 -1.573 -7.694) 7.853 22.462 ( 0.000 0.188 3.983) 3.987 22.544 ( 0.000 0.739 -5.528) 5.577 22.796 ( 0.000 0.264 -10.189) 10.192 23.676 ( -0.000 -0.847 17.906) 17.926 23.706 ( 0.000 1.887 3.840) 4.279 23.790 ( 0.000 1.971 -0.940) 2.184 24.355 ( -0.000 -0.230 -13.911) 13.913 24.730 ( -0.000 -0.721 26.231) 26.241 25.316 ( 0.000 0.715 -4.952) 5.004 25.390 ( -0.000 -0.475 -0.445) 0.651 25.470 ( 0.000 0.173 7.593) 7.595 25.577 ( 0.000 0.836 -7.152) 7.201 25.878 ( -0.000 -0.445 3.000) 3.032 25.976 ( -0.000 -0.473 -0.675) 0.824 26.098 ( -0.000 -0.922 -19.135) 19.157 26.153 ( 0.000 1.827 2.957) 3.476 26.205 ( -0.000 -1.835 -0.162) 1.842 26.635 ( -0.000 -0.737 2.190) 2.311 26.786 ( 0.000 0.066 -2.535) 2.536 27.072 ( -0.000 -0.814 -0.034) 0.815 27.085 ( -0.000 -0.980 -1.116) 1.485 27.221 ( -0.000 -0.278 5.849) 5.856 27.495 ( 0.000 0.620 -6.086) 6.117 27.533 ( -0.000 -0.283 3.714) 3.724 27.632 ( -0.000 -0.318 -1.492) 1.526 27.857 ( 0.000 0.004 4.829) 4.829 28.045 ( 0.000 0.661 -3.770) 3.827 28.608 ( 0.000 0.297 1.295) 1.328 28.661 ( -0.000 -0.438 -1.113) 1.196 29.359 ( -0.000 -0.573 4.482) 4.519 29.535 ( -0.000 -0.546 -3.599) 3.640 ======================= Grid point 255 (76/100) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.869 ( 0.000 0.000 -27.354) 27.354 3.869 ( 0.000 0.000 27.354) 27.354 4.327 ( 0.000 0.000 -66.506) 66.506 4.327 ( 0.000 0.000 66.506) 66.506 4.900 ( 0.000 0.000 -38.854) 38.854 4.900 ( 0.000 0.000 38.854) 38.854 5.636 ( 0.000 0.000 -7.681) 7.681 5.636 ( 0.000 0.000 7.681) 7.681 7.659 ( 0.000 0.000 -93.194) 93.194 7.659 ( 0.000 0.000 93.194) 93.194 8.488 ( 0.000 0.000 -26.746) 26.746 8.488 ( 0.000 0.000 26.746) 26.746 9.203 ( 0.000 0.000 -22.898) 22.898 9.203 ( 0.000 0.000 22.898) 22.898 9.297 ( 0.000 0.000 -9.092) 9.092 9.297 ( 0.000 0.000 9.092) 9.092 9.769 ( 0.000 0.000 -4.190) 4.190 9.769 ( 0.000 0.000 4.190) 4.190 10.352 ( 0.000 0.000 -3.247) 3.247 10.352 ( 0.000 0.000 3.247) 3.247 11.154 ( 0.000 0.000 -1.287) 1.287 11.154 ( 0.000 0.000 1.287) 1.287 11.454 ( 0.000 0.000 -43.392) 43.392 11.454 ( 0.000 0.000 43.392) 43.392 11.552 ( 0.000 0.000 -6.793) 6.793 11.552 ( 0.000 0.000 6.793) 6.793 12.892 ( 0.000 0.000 -3.624) 3.624 12.892 ( 0.000 0.000 3.624) 3.624 14.003 ( 0.000 0.000 -6.557) 6.557 14.003 ( 0.000 0.000 6.557) 6.557 14.653 ( 0.000 0.000 -18.035) 18.035 14.653 ( 0.000 0.000 18.035) 18.035 15.143 ( 0.000 0.000 -17.133) 17.133 15.143 ( 0.000 0.000 17.133) 17.133 15.597 ( 0.000 0.000 -24.398) 24.398 15.597 ( 0.000 0.000 24.398) 24.398 16.198 ( 0.000 0.000 -6.792) 6.792 16.198 ( 0.000 0.000 6.792) 6.792 16.950 ( 0.000 0.000 -15.415) 15.415 16.950 ( 0.000 0.000 15.415) 15.415 17.484 ( 0.000 0.000 -2.275) 2.275 17.484 ( 0.000 0.000 2.275) 2.275 17.529 ( 0.000 0.000 -15.451) 15.451 17.529 ( 0.000 0.000 15.451) 15.451 17.954 ( 0.000 0.000 -1.456) 1.456 17.954 ( 0.000 0.000 1.456) 1.456 18.065 ( 0.000 0.000 -15.035) 15.035 18.065 ( 0.000 0.000 15.035) 15.035 19.817 ( 0.000 0.000 -36.601) 36.601 19.817 ( 0.000 0.000 36.601) 36.601 19.915 ( 0.000 0.000 -6.384) 6.384 19.915 ( 0.000 0.000 6.384) 6.384 20.642 ( 0.000 0.000 -7.257) 7.257 20.642 ( 0.000 0.000 7.257) 7.257 21.041 ( 0.000 0.000 -1.127) 1.127 21.041 ( 0.000 0.000 1.127) 1.127 21.187 ( 0.000 0.000 -2.500) 2.500 21.187 ( 0.000 0.000 2.500) 2.500 21.464 ( 0.000 0.000 -0.233) 0.233 21.464 ( 0.000 0.000 0.233) 0.233 21.765 ( 0.000 0.000 -6.102) 6.102 21.765 ( 0.000 0.000 6.102) 6.102 22.269 ( 0.000 0.000 -2.194) 2.194 22.269 ( 0.000 0.000 2.194) 2.194 22.415 ( 0.000 0.000 -0.800) 0.800 22.415 ( 0.000 0.000 0.800) 0.800 22.543 ( 0.000 0.000 -8.748) 8.748 22.543 ( 0.000 0.000 8.748) 8.748 23.431 ( 0.000 0.000 -0.868) 0.868 23.431 ( 0.000 0.000 0.868) 0.868 24.122 ( 0.000 0.000 -14.837) 14.837 24.122 ( 0.000 0.000 14.837) 14.837 25.151 ( 0.000 0.000 -8.098) 8.098 25.151 ( 0.000 0.000 8.098) 8.098 25.446 ( 0.000 0.000 -1.386) 1.386 25.446 ( 0.000 0.000 1.386) 1.386 25.767 ( 0.000 0.000 -22.229) 22.229 25.767 ( 0.000 0.000 22.229) 22.229 25.997 ( 0.000 0.000 -4.193) 4.193 25.997 ( 0.000 0.000 4.193) 4.193 26.216 ( 0.000 0.000 -2.003) 2.003 26.216 ( 0.000 0.000 2.003) 2.003 26.734 ( 0.000 0.000 -0.819) 0.819 26.734 ( 0.000 0.000 0.819) 0.819 27.227 ( 0.000 0.000 -0.222) 0.222 27.227 ( 0.000 0.000 0.222) 0.222 27.344 ( 0.000 0.000 -2.618) 2.618 27.344 ( 0.000 0.000 2.618) 2.618 27.637 ( 0.000 0.000 -1.357) 1.357 27.637 ( 0.000 0.000 1.357) 1.357 27.896 ( 0.000 0.000 -2.109) 2.109 27.896 ( 0.000 0.000 2.109) 2.109 28.653 ( 0.000 0.000 -3.297) 3.297 28.653 ( 0.000 0.000 3.297) 3.297 29.542 ( 0.000 0.000 -4.499) 4.499 29.542 ( 0.000 0.000 4.499) 4.499 ======================= Grid point 257 (77/100) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.073 ( 17.506 -2.545 -12.978) 21.939 4.073 ( 17.506 -2.545 12.978) 21.939 4.592 ( 19.252 -13.499 -57.251) 61.892 4.592 ( 19.252 -13.499 57.251) 61.892 5.209 ( 28.900 -7.128 -40.917) 50.598 5.209 ( 28.900 -7.128 40.917) 50.598 5.631 ( -0.474 -0.302 -7.925) 7.945 5.631 ( -0.474 -0.302 7.925) 7.945 7.773 ( 12.461 0.881 -77.327) 78.329 7.773 ( 12.461 0.881 77.327) 78.329 8.544 ( 0.012 -9.071 -23.884) 25.549 8.544 ( 0.012 -9.071 23.884) 25.549 9.171 ( -8.315 -7.642 -16.685) 20.147 9.171 ( -8.315 -7.642 16.685) 20.147 9.406 ( 8.974 -5.665 -14.080) 17.631 9.406 ( 8.974 -5.665 14.080) 17.631 9.884 ( 12.639 1.618 -4.861) 13.638 9.884 ( 12.639 1.618 4.861) 13.638 10.388 ( 5.738 1.764 -3.864) 7.139 10.388 ( 5.738 1.764 3.864) 7.139 11.159 ( -0.399 -0.999 -5.493) 5.598 11.159 ( -0.399 -0.999 5.493) 5.598 11.396 ( -4.294 -0.576 -29.101) 29.422 11.396 ( -4.294 -0.576 29.101) 29.422 11.600 ( 4.440 0.478 -6.608) 7.976 11.600 ( 4.440 0.478 6.608) 7.976 12.779 ( -10.728 0.075 -4.449) 11.615 12.779 ( -10.728 0.075 4.449) 11.615 14.063 ( 5.222 2.596 -4.639) 7.452 14.063 ( 5.222 2.596 4.639) 7.452 14.598 ( -0.221 8.362 -17.190) 19.117 14.598 ( -0.221 8.362 17.190) 19.117 15.143 ( -0.733 -1.349 -16.074) 16.147 15.143 ( -0.733 -1.349 16.074) 16.147 15.591 ( -1.805 -1.433 -23.913) 24.024 15.591 ( -1.805 -1.433 23.913) 24.024 16.132 ( -6.333 -0.406 -7.400) 9.749 16.132 ( -6.333 -0.406 7.400) 9.749 16.959 ( 1.236 1.452 -13.135) 13.273 16.959 ( 1.236 1.452 13.135) 13.273 17.358 ( -9.188 1.445 -9.327) 13.172 17.358 ( -9.188 1.445 9.327) 13.172 17.603 ( 4.552 0.153 -8.401) 9.556 17.603 ( 4.552 0.153 8.401) 9.556 17.886 ( -7.598 -0.598 -6.512) 10.024 17.886 ( -7.598 -0.598 6.512) 10.024 18.114 ( 5.153 0.224 -10.957) 12.110 18.114 ( 5.153 0.224 10.957) 12.110 19.664 ( -12.099 0.505 -30.744) 33.043 19.664 ( -12.099 0.505 30.744) 33.043 19.989 ( 3.875 -0.979 -7.470) 8.472 19.989 ( 3.875 -0.979 7.470) 8.472 20.597 ( -3.717 2.224 -4.679) 6.376 20.597 ( -3.717 2.224 4.679) 6.376 21.044 ( 0.547 0.456 -3.041) 3.123 21.044 ( 0.547 0.456 3.041) 3.123 21.182 ( -0.358 -0.237 -1.767) 1.818 21.182 ( -0.358 -0.237 1.767) 1.818 21.487 ( 3.013 1.237 -0.956) 3.394 21.487 ( 3.013 1.237 0.956) 3.394 21.780 ( 1.456 -0.255 -5.454) 5.651 21.780 ( 1.456 -0.255 5.454) 5.651 22.244 ( -2.055 1.084 -2.879) 3.699 22.244 ( -2.055 1.084 2.879) 3.699 22.387 ( -2.367 0.437 -0.266) 2.422 22.387 ( -2.367 0.437 0.266) 2.422 22.579 ( 3.255 -0.232 -9.070) 9.639 22.579 ( 3.255 -0.232 9.070) 9.639 23.451 ( 1.040 -1.912 -0.533) 2.241 23.451 ( 1.040 -1.912 0.533) 2.241 24.149 ( 3.130 0.465 -13.871) 14.228 24.149 ( 3.130 0.465 13.871) 14.228 25.146 ( -0.546 0.052 -8.850) 8.867 25.146 ( -0.546 0.052 8.850) 8.867 25.451 ( 0.416 0.231 -1.648) 1.715 25.451 ( 0.416 0.231 1.648) 1.715 25.702 ( -5.500 -0.193 -15.637) 16.577 25.702 ( -5.500 -0.193 15.637) 16.577 26.054 ( 4.889 0.458 -1.504) 5.136 26.054 ( 4.889 0.458 1.504) 5.136 26.208 ( -0.654 0.398 -2.154) 2.286 26.208 ( -0.654 0.398 2.154) 2.286 26.715 ( -2.036 0.061 -0.775) 2.179 26.715 ( -2.036 0.061 0.775) 2.179 27.209 ( -1.345 0.766 -0.409) 1.601 27.209 ( -1.345 0.766 0.409) 1.601 27.355 ( 1.000 0.164 -2.261) 2.477 27.355 ( 1.000 0.164 2.261) 2.477 27.625 ( -1.186 0.057 -1.254) 1.727 27.625 ( -1.186 0.057 1.254) 1.727 27.887 ( -1.109 -0.261 -1.946) 2.255 27.887 ( -1.109 -0.261 1.946) 2.255 28.670 ( 1.951 0.108 -2.875) 3.476 28.670 ( 1.951 0.108 2.875) 3.476 29.507 ( -3.414 0.508 -4.249) 5.474 29.507 ( -3.414 0.508 4.249) 5.474 ======================= Grid point 259 (78/100) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.445 ( 18.987 -1.779 -1.882) 19.162 4.445 ( 18.987 -1.779 1.882) 19.162 5.189 ( 26.790 -16.005 -43.932) 53.887 5.189 ( 26.790 -16.005 43.932) 53.887 5.571 ( -1.229 0.130 -5.977) 6.104 5.571 ( -1.229 0.130 5.977) 6.104 6.053 ( 42.422 -13.966 -45.397) 63.684 6.053 ( 42.422 -13.966 45.397) 63.684 8.049 ( 19.311 7.025 -29.909) 36.288 8.049 ( 19.311 7.025 29.909) 36.288 8.586 ( -6.918 -8.305 -11.342) 15.668 8.586 ( -6.918 -8.305 11.342) 15.668 9.188 ( -0.652 -18.426 -29.005) 34.369 9.188 ( -0.652 -18.426 29.005) 34.369 9.631 ( 4.164 -12.819 -9.111) 16.268 9.631 ( 4.164 -12.819 9.111) 16.268 10.083 ( 6.741 2.251 -2.279) 7.463 10.083 ( 6.741 2.251 2.279) 7.463 10.588 ( 20.045 5.974 -2.405) 21.054 10.588 ( 20.045 5.974 2.405) 21.054 11.138 ( 0.151 4.457 -14.455) 15.128 11.138 ( 0.151 4.457 14.455) 15.128 11.409 ( 2.458 -9.274 -13.136) 16.267 11.409 ( 2.458 -9.274 13.136) 16.267 11.715 ( 8.208 -3.857 -12.782) 15.673 11.715 ( 8.208 -3.857 12.782) 15.673 12.556 ( -12.948 -0.507 -3.578) 13.443 12.556 ( -12.948 -0.507 3.578) 13.443 13.991 ( -6.063 14.762 -3.076) 16.252 13.991 ( -6.063 14.762 3.076) 16.252 14.548 ( 2.498 4.654 -12.397) 13.475 14.548 ( 2.498 4.654 12.397) 13.475 15.151 ( 1.014 -0.610 -16.077) 16.121 15.151 ( 1.014 -0.610 16.077) 16.121 15.556 ( -2.558 -0.445 -21.634) 21.790 15.556 ( -2.558 -0.445 21.634) 21.790 16.021 ( -6.191 -1.519 -7.062) 9.514 16.021 ( -6.191 -1.519 7.062) 9.514 16.935 ( -1.788 4.202 -9.342) 10.398 16.935 ( -1.788 4.202 9.342) 10.398 17.147 ( -10.621 3.061 -9.318) 14.457 17.147 ( -10.621 3.061 9.318) 14.457 17.618 ( -7.778 0.448 -12.791) 14.977 17.618 ( -7.778 0.448 12.791) 14.977 17.769 ( -1.091 -2.982 -5.446) 6.304 17.769 ( -1.091 -2.982 5.446) 6.304 18.232 ( 7.409 -0.243 -6.529) 9.878 18.232 ( 7.409 -0.243 6.529) 9.878 19.421 ( -12.880 0.683 -25.517) 28.592 19.421 ( -12.880 0.683 25.517) 28.592 20.052 ( 1.488 -1.047 -2.732) 3.282 20.052 ( 1.488 -1.047 2.732) 3.282 20.471 ( -7.107 1.970 -1.705) 7.569 20.471 ( -7.107 1.970 1.705) 7.569 21.041 ( -0.592 0.582 -6.225) 6.280 21.041 ( -0.592 0.582 6.225) 6.280 21.200 ( 3.372 1.387 -4.301) 5.638 21.200 ( 3.372 1.387 4.301) 5.638 21.542 ( 3.941 0.579 -1.873) 4.402 21.542 ( 3.941 0.579 1.873) 4.402 21.821 ( 2.745 -0.138 -3.969) 4.828 21.821 ( 2.745 -0.138 3.969) 4.828 22.175 ( -3.558 2.229 -3.821) 5.677 22.175 ( -3.558 2.229 3.821) 5.677 22.332 ( -3.152 0.070 -1.945) 3.704 22.332 ( -3.152 0.070 1.945) 3.704 22.651 ( 4.019 -0.229 -8.338) 9.259 22.651 ( 4.019 -0.229 8.338) 9.259 23.502 ( 1.615 -2.831 -0.694) 3.332 23.502 ( 1.615 -2.831 0.694) 3.332 24.219 ( 4.886 0.686 -11.261) 12.294 24.219 ( 4.886 0.686 11.261) 12.294 25.130 ( -1.157 -0.090 -10.450) 10.515 25.130 ( -1.157 -0.090 10.450) 10.515 25.441 ( -0.964 1.714 -2.081) 2.863 25.441 ( -0.964 1.714 2.081) 2.863 25.620 ( -3.618 -1.758 -8.422) 9.334 25.620 ( -3.618 -1.758 8.422) 9.334 26.130 ( 3.973 1.540 -5.458) 6.925 26.130 ( 3.973 1.540 5.458) 6.925 26.188 ( -0.809 0.320 -3.349) 3.460 26.188 ( -0.809 0.320 3.349) 3.460 26.663 ( -3.368 -0.024 -0.695) 3.439 26.663 ( -3.368 -0.024 0.695) 3.439 27.173 ( -1.442 0.789 -0.460) 1.706 27.173 ( -1.442 0.789 0.460) 1.706 27.371 ( 1.103 0.673 -1.776) 2.197 27.371 ( 1.103 0.673 1.776) 2.197 27.598 ( -1.740 -0.319 -0.836) 1.957 27.598 ( -1.740 -0.319 0.836) 1.957 27.863 ( -1.668 -0.161 -1.467) 2.228 27.863 ( -1.668 -0.161 1.467) 2.228 28.723 ( 4.092 0.139 -1.777) 4.463 28.723 ( 4.092 0.139 1.777) 4.463 29.411 ( -6.248 0.783 -3.600) 7.254 29.411 ( -6.248 0.783 3.600) 7.254 ======================= Grid point 261 (79/100) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.777 ( 16.010 -0.501 -2.972) 16.291 4.777 ( 16.010 -0.501 2.972) 16.291 5.448 ( -5.815 0.079 -4.845) 7.569 5.448 ( -5.815 0.079 4.845) 7.569 5.911 ( 27.684 -14.456 -31.498) 44.357 5.911 ( 27.684 -14.456 31.498) 44.357 6.914 ( 33.557 -11.159 -44.045) 56.485 6.914 ( 33.557 -11.159 44.045) 56.485 8.114 ( -7.459 8.506 -10.538) 15.461 8.114 ( -7.459 8.506 10.538) 15.461 8.639 ( 10.858 -4.580 -0.949) 11.823 8.639 ( 10.858 -4.580 0.949) 11.823 9.442 ( 3.866 -12.376 -31.935) 34.467 9.442 ( 3.866 -12.376 31.935) 34.467 9.865 ( 9.056 -10.208 -16.635) 21.516 9.865 ( 9.056 -10.208 16.635) 21.516 10.094 ( -1.795 -5.434 -7.659) 9.561 10.094 ( -1.795 -5.434 7.659) 9.561 10.830 ( 9.489 2.258 -2.792) 10.146 10.830 ( 9.489 2.258 2.792) 10.146 11.124 ( 2.816 2.315 -9.415) 10.096 11.124 ( 2.816 2.315 9.415) 10.096 11.580 ( 4.609 -4.692 -6.145) 9.001 11.580 ( 4.609 -4.692 6.145) 9.001 12.124 ( 25.676 -13.742 -13.325) 32.025 12.124 ( 25.676 -13.742 13.325) 32.025 12.327 ( -10.714 1.508 -6.918) 12.843 12.327 ( -10.714 1.508 6.918) 12.843 13.601 ( -13.915 19.737 -6.186) 24.929 13.601 ( -13.915 19.737 6.186) 24.929 14.497 ( -5.875 3.900 -10.038) 12.267 14.497 ( -5.875 3.900 10.038) 12.267 15.206 ( 4.331 -0.573 -17.819) 18.347 15.206 ( 4.331 -0.573 17.819) 18.347 15.526 ( -0.314 1.572 -19.043) 19.110 15.526 ( -0.314 1.572 19.043) 19.110 15.941 ( -3.698 -0.593 -4.571) 5.910 15.941 ( -3.698 -0.593 4.571) 5.910 16.787 ( -7.037 6.884 -4.425) 10.793 16.787 ( -7.037 6.884 4.425) 10.793 16.935 ( -9.830 1.435 -12.660) 16.092 16.935 ( -9.830 1.435 12.660) 16.092 17.414 ( -10.876 -1.176 -11.786) 16.081 17.414 ( -10.876 -1.176 11.786) 16.081 17.853 ( 3.951 -3.211 -5.301) 7.350 17.853 ( 3.951 -3.211 5.301) 7.350 18.377 ( 7.253 -0.896 -2.782) 7.820 18.377 ( 7.253 -0.896 2.782) 7.820 19.205 ( -9.462 0.676 -17.174) 19.619 19.205 ( -9.462 0.676 17.174) 19.619 20.052 ( -1.637 0.776 -2.553) 3.130 20.052 ( -1.637 0.776 2.553) 3.130 20.331 ( -6.134 0.144 -1.252) 6.262 20.331 ( -6.134 0.144 1.252) 6.262 21.014 ( -1.363 0.679 -4.155) 4.425 21.014 ( -1.363 0.679 4.155) 4.425 21.273 ( 5.834 1.764 -5.640) 8.304 21.273 ( 5.834 1.764 5.640) 8.304 21.618 ( 3.986 -1.337 -1.382) 4.425 21.618 ( 3.986 -1.337 1.382) 4.425 21.873 ( 2.783 0.515 -3.156) 4.239 21.873 ( 2.783 0.515 3.156) 4.239 22.075 ( -4.195 3.018 -4.177) 6.644 22.075 ( -4.195 3.018 4.177) 6.644 22.276 ( -3.114 -0.610 -2.936) 4.323 22.276 ( -3.114 -0.610 2.936) 4.323 22.720 ( 3.151 -0.126 -5.879) 6.671 22.720 ( 3.151 -0.126 5.879) 6.671 23.556 ( 1.218 -2.271 -1.171) 2.831 23.556 ( 1.218 -2.271 1.171) 2.831 24.302 ( 4.467 0.576 -7.367) 8.635 24.302 ( 4.467 0.576 7.367) 8.635 25.109 ( -1.318 -0.387 -10.171) 10.264 25.109 ( -1.318 -0.387 10.171) 10.264 25.386 ( -2.146 2.108 -2.399) 3.848 25.386 ( -2.146 2.108 2.399) 3.848 25.606 ( -0.688 -2.054 -3.233) 3.892 25.606 ( -0.688 -2.054 3.233) 3.892 26.143 ( -0.194 1.562 -2.776) 3.191 26.143 ( -0.194 1.562 2.776) 3.191 26.196 ( 1.759 0.513 -2.372) 2.997 26.196 ( 1.759 0.513 2.372) 2.997 26.600 ( -3.366 -0.139 -0.701) 3.441 26.600 ( -3.366 -0.139 0.701) 3.441 27.145 ( -0.849 0.438 -0.347) 1.016 27.145 ( -0.849 0.438 0.347) 1.016 27.380 ( 0.770 0.848 -1.230) 1.681 27.380 ( 0.770 0.848 1.230) 1.681 27.573 ( -1.472 -0.572 -0.301) 1.608 27.573 ( -1.472 -0.572 0.301) 1.608 27.834 ( -1.439 0.033 -0.830) 1.661 27.834 ( -1.439 0.033 0.830) 1.661 28.816 ( 6.124 0.079 -0.442) 6.140 28.816 ( 6.124 0.079 0.442) 6.140 29.271 ( -7.953 0.723 -2.741) 8.443 29.271 ( -7.953 0.723 2.741) 8.443 ======================= Grid point 263 (80/100) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.037 ( 11.252 -0.302 -2.939) 11.634 5.037 ( 11.252 -0.302 2.939) 11.634 5.306 ( -8.114 0.498 -3.761) 8.957 5.306 ( -8.114 0.498 3.761) 8.957 6.461 ( 15.262 -8.217 -14.128) 22.362 6.461 ( 15.262 -8.217 14.128) 22.362 7.446 ( 19.931 0.686 -24.805) 31.828 7.446 ( 19.931 0.686 24.805) 31.828 7.784 ( -19.710 -0.780 -15.783) 25.263 7.784 ( -19.710 -0.780 15.783) 25.263 8.940 ( 13.482 -2.206 -5.257) 14.637 8.940 ( 13.482 -2.206 5.257) 14.637 9.454 ( -6.172 0.378 -13.118) 14.502 9.454 ( -6.172 0.378 13.118) 14.502 9.911 ( -0.589 3.220 -4.023) 5.187 9.911 ( -0.589 3.220 4.023) 5.187 10.376 ( 10.191 -9.095 -13.805) 19.421 10.376 ( 10.191 -9.095 13.805) 19.421 10.975 ( 6.609 -4.889 -3.095) 8.784 10.975 ( 6.609 -4.889 3.095) 8.784 11.154 ( -2.914 -4.242 -4.381) 6.758 11.154 ( -2.914 -4.242 4.381) 6.758 11.706 ( 6.048 -4.529 -7.157) 10.407 11.706 ( 6.048 -4.529 7.157) 10.407 12.043 ( -10.395 9.706 -7.593) 16.122 12.043 ( -10.395 9.706 7.593) 16.122 12.707 ( 13.321 -5.402 -6.370) 15.723 12.707 ( 13.321 -5.402 6.370) 15.723 13.280 ( -0.552 5.172 -3.950) 6.531 13.280 ( -0.552 5.172 3.950) 6.531 14.263 ( -10.925 4.724 -6.412) 13.520 14.263 ( -10.925 4.724 6.412) 13.520 15.308 ( 4.373 -2.487 -14.711) 15.547 15.308 ( 4.373 -2.487 14.711) 15.547 15.475 ( -2.383 3.963 -14.841) 15.545 15.475 ( -2.383 3.963 14.841) 15.545 15.910 ( -0.074 0.002 -1.232) 1.234 15.910 ( -0.074 0.002 1.232) 1.234 16.626 ( -3.092 3.462 -1.109) 4.772 16.626 ( -3.092 3.462 1.109) 4.772 16.774 ( -6.050 -0.701 -7.690) 9.810 16.774 ( -6.050 -0.701 7.690) 9.810 17.290 ( -3.522 -0.442 -3.932) 5.297 17.290 ( -3.522 -0.442 3.932) 5.297 17.936 ( 1.868 -1.509 -2.054) 3.160 17.936 ( 1.868 -1.509 2.054) 3.160 18.489 ( 3.374 -0.614 -0.990) 3.570 18.489 ( 3.374 -0.614 0.990) 3.570 19.075 ( -3.694 0.402 -6.520) 7.504 19.075 ( -3.694 0.402 6.520) 7.504 20.002 ( -1.624 0.904 -0.964) 2.094 20.002 ( -1.624 0.904 0.964) 2.094 20.257 ( -2.182 -0.371 -0.351) 2.241 20.257 ( -2.182 -0.371 0.351) 2.241 20.989 ( -0.526 0.486 -1.384) 1.559 20.989 ( -0.526 0.486 1.384) 1.559 21.347 ( 2.767 0.573 -2.295) 3.640 21.347 ( 2.767 0.573 2.295) 3.640 21.710 ( 3.321 -2.064 -2.007) 4.395 21.710 ( 3.321 -2.064 2.007) 4.395 21.887 ( -0.847 1.365 -2.534) 3.000 21.887 ( -0.847 1.365 2.534) 3.000 21.991 ( -1.184 1.633 -1.700) 2.638 21.991 ( -1.184 1.633 1.700) 2.638 22.236 ( -1.607 -0.504 -1.612) 2.331 22.236 ( -1.607 -0.504 1.612) 2.331 22.762 ( 1.191 -0.034 -2.124) 2.435 22.762 ( 1.191 -0.034 2.124) 2.435 23.587 ( 0.382 -0.811 -0.594) 1.076 23.587 ( 0.382 -0.811 0.594) 1.076 24.358 ( 1.833 0.217 -2.569) 3.164 24.358 ( 1.833 0.217 2.569) 3.164 25.094 ( -0.570 -0.287 -4.538) 4.582 25.094 ( -0.570 -0.287 4.538) 4.582 25.340 ( -0.905 0.874 -1.357) 1.850 25.340 ( -0.905 0.874 1.357) 1.850 25.616 ( -0.053 -0.781 -0.855) 1.160 25.616 ( -0.053 -0.781 0.855) 1.160 26.125 ( -0.325 0.546 -0.577) 0.859 26.125 ( -0.325 0.546 0.577) 0.859 26.217 ( 0.809 0.379 -1.088) 1.407 26.217 ( 0.809 0.379 1.088) 1.407 26.554 ( -1.497 -0.089 -0.380) 1.547 26.554 ( -1.497 -0.089 0.380) 1.547 27.133 ( -0.245 0.119 -0.137) 0.305 27.133 ( -0.245 0.119 0.137) 0.305 27.383 ( 0.276 0.378 -0.451) 0.650 27.383 ( 0.276 0.378 0.451) 0.650 27.558 ( -0.575 -0.274 -0.030) 0.638 27.558 ( -0.575 -0.274 0.030) 0.638 27.814 ( -0.557 0.044 -0.256) 0.614 27.814 ( -0.557 0.044 0.256) 0.614 28.939 ( 6.797 -0.084 -0.640) 6.827 28.939 ( 6.797 -0.084 0.640) 6.827 29.118 ( -7.506 0.400 -1.669) 7.699 29.118 ( -7.506 0.400 1.669) 7.699 ======================= Grid point 275 (81/100) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.419 ( 20.085 -0.000 -3.982) 20.476 4.419 ( 20.085 -0.000 3.982) 20.476 5.033 ( 32.663 -0.000 -46.991) 57.228 5.033 ( 32.663 -0.000 46.991) 57.228 5.575 ( -1.043 0.000 -6.627) 6.708 5.575 ( -1.043 0.000 6.627) 6.708 5.904 ( 43.440 -0.000 -43.545) 61.508 5.904 ( 43.440 -0.000 43.545) 61.508 8.119 ( 23.344 -0.000 -54.878) 59.637 8.119 ( 23.344 -0.000 54.878) 59.637 8.543 ( 3.912 -0.000 -32.184) 32.421 8.543 ( 3.912 -0.000 32.184) 32.421 8.924 ( -11.384 0.000 -24.410) 26.934 8.924 ( -11.384 0.000 24.410) 26.934 9.503 ( 4.374 -0.000 -8.643) 9.687 9.503 ( 4.374 -0.000 8.643) 9.687 10.119 ( 7.472 -0.000 -1.409) 7.604 10.119 ( 7.472 -0.000 1.409) 7.604 10.675 ( 24.036 -0.000 -1.435) 24.079 10.675 ( 24.036 -0.000 1.435) 24.079 11.160 ( 1.686 -0.000 -0.203) 1.699 11.160 ( 1.686 -0.000 0.203) 1.699 11.305 ( -3.844 0.000 -26.082) 26.364 11.305 ( -3.844 0.000 26.082) 26.364 11.684 ( 5.486 -0.000 -0.999) 5.576 11.684 ( 5.486 -0.000 0.999) 5.576 12.551 ( -12.498 0.000 -4.775) 13.380 12.551 ( -12.498 0.000 4.775) 13.380 14.151 ( -0.253 0.000 -0.306) 0.397 14.151 ( -0.253 0.000 0.306) 0.397 14.606 ( -3.371 0.000 -18.786) 19.086 14.606 ( -3.371 0.000 18.786) 19.086 15.129 ( 0.584 -0.000 -19.035) 19.044 15.129 ( 0.584 -0.000 19.035) 19.044 15.547 ( -1.714 0.000 -22.872) 22.936 15.547 ( -1.714 0.000 22.872) 22.936 16.004 ( -6.197 0.000 -4.849) 7.869 16.004 ( -6.197 0.000 4.849) 7.869 16.968 ( -2.314 0.000 -12.338) 12.553 16.968 ( -2.314 0.000 12.338) 12.553 17.201 ( -7.804 0.000 -6.309) 10.035 17.201 ( -7.804 0.000 6.309) 10.035 17.619 ( -10.364 0.000 -11.907) 15.785 17.619 ( -10.364 0.000 11.907) 15.785 17.733 ( -0.853 0.000 -6.223) 6.282 17.733 ( -0.853 0.000 6.223) 6.282 18.230 ( 7.078 -0.000 -6.952) 9.921 18.230 ( 7.078 -0.000 6.952) 9.921 19.428 ( -13.056 0.000 -26.131) 29.211 19.428 ( -13.056 0.000 26.131) 29.211 20.041 ( 2.366 -0.000 -1.419) 2.759 20.041 ( 2.366 -0.000 1.419) 2.759 20.495 ( -8.113 0.000 -0.034) 8.113 20.495 ( -8.113 0.000 0.034) 8.113 21.048 ( -0.994 0.000 -5.535) 5.624 21.048 ( -0.994 0.000 5.535) 5.624 21.213 ( 4.291 -0.000 -5.118) 6.679 21.213 ( 4.291 -0.000 5.118) 6.679 21.548 ( 2.723 -0.000 -2.017) 3.389 21.548 ( 2.723 -0.000 2.017) 3.389 21.820 ( 3.018 -0.000 -2.590) 3.977 21.820 ( 3.018 -0.000 2.590) 3.977 22.196 ( -3.762 0.000 -2.374) 4.448 22.196 ( -3.762 0.000 2.374) 4.448 22.334 ( -3.369 0.000 -0.038) 3.370 22.334 ( -3.369 0.000 0.038) 3.370 22.648 ( 4.097 -0.000 -8.875) 9.776 22.648 ( 4.097 -0.000 8.875) 9.776 23.472 ( 2.190 -0.000 -0.616) 2.275 23.472 ( 2.190 -0.000 0.616) 2.275 24.227 ( 4.738 -0.000 -11.125) 12.092 24.227 ( 4.738 -0.000 11.125) 12.092 25.129 ( -1.398 0.000 -10.348) 10.442 25.129 ( -1.398 0.000 10.348) 10.442 25.461 ( -0.066 0.000 -1.627) 1.628 25.461 ( -0.066 0.000 1.627) 1.628 25.601 ( -4.311 0.000 -8.409) 9.450 25.601 ( -4.311 0.000 8.409) 9.450 26.142 ( 3.707 -0.000 -2.019) 4.221 26.142 ( 3.707 -0.000 2.019) 4.221 26.196 ( -0.563 0.000 -3.051) 3.102 26.196 ( -0.563 0.000 3.051) 3.102 26.663 ( -3.477 0.000 -0.192) 3.482 26.663 ( -3.477 0.000 0.192) 3.482 27.181 ( -1.799 0.000 -0.102) 1.802 27.181 ( -1.799 0.000 0.102) 1.802 27.378 ( 1.181 -0.000 -1.011) 1.555 27.378 ( 1.181 -0.000 1.011) 1.555 27.595 ( -1.907 0.000 -0.814) 2.073 27.595 ( -1.907 0.000 0.814) 2.073 27.861 ( -1.466 0.000 -1.158) 1.869 27.861 ( -1.466 0.000 1.158) 1.869 28.725 ( 4.043 -0.000 -1.860) 4.450 28.725 ( 4.043 -0.000 1.860) 4.450 29.419 ( -6.379 0.000 -3.535) 7.294 29.419 ( -6.379 0.000 3.535) 7.294 ======================= Grid point 277 (82/100) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.764 ( 16.623 -0.518 -5.400) 17.485 4.764 ( 16.623 -0.518 5.400) 17.485 5.443 ( -2.998 -0.329 -2.429) 3.872 5.443 ( -2.998 -0.329 2.429) 3.872 5.761 ( 33.998 -2.207 -33.640) 47.879 5.761 ( 33.998 -2.207 33.640) 47.879 6.720 ( 38.074 -5.842 -44.937) 59.187 6.720 ( 38.074 -5.842 44.937) 59.187 8.381 ( -7.220 12.415 -10.159) 17.592 8.381 ( -7.220 12.415 10.159) 17.592 8.552 ( 13.234 -0.931 -6.845) 14.929 8.552 ( 13.234 -0.931 6.845) 14.929 9.105 ( 20.778 -18.073 -49.972) 57.057 9.105 ( 20.778 -18.073 49.972) 57.057 9.586 ( 2.553 -7.326 -3.497) 8.510 9.586 ( 2.553 -7.326 3.497) 8.510 10.158 ( -0.326 3.873 -0.900) 3.989 10.158 ( -0.326 3.873 0.900) 3.989 10.932 ( 3.396 5.635 -3.371) 7.392 10.932 ( 3.396 5.635 3.371) 7.392 11.091 ( -9.603 -4.533 -10.322) 14.809 11.091 ( -9.603 -4.533 10.322) 14.809 11.502 ( 15.598 -2.501 -2.042) 15.928 11.502 ( 15.598 -2.501 2.042) 15.928 11.920 ( 23.893 -4.985 -7.384) 25.500 11.920 ( 23.893 -4.985 7.384) 25.500 12.365 ( -6.488 1.234 -6.604) 9.340 12.365 ( -6.488 1.234 6.604) 9.340 13.965 ( -12.752 12.739 -5.234) 18.769 13.965 ( -12.752 12.739 5.234) 18.769 14.500 ( -9.771 -2.218 -15.213) 18.216 14.500 ( -9.771 -2.218 15.213) 18.216 15.156 ( 0.166 -2.607 -17.508) 17.702 15.156 ( 0.166 -2.607 17.508) 17.702 15.554 ( 3.129 0.789 -18.769) 19.044 15.554 ( 3.129 0.789 18.769) 19.044 15.926 ( -2.737 -0.503 -1.986) 3.419 15.926 ( -2.737 -0.503 1.986) 3.419 16.861 ( -7.340 0.835 -10.564) 12.890 16.861 ( -7.340 0.835 10.564) 12.890 17.058 ( -6.508 7.850 -4.116) 10.996 17.058 ( -6.508 7.850 4.116) 10.996 17.344 ( -15.828 -4.747 -11.202) 19.964 17.344 ( -15.828 -4.747 11.202) 19.964 17.798 ( 4.038 -1.664 -6.382) 7.733 17.798 ( 4.038 -1.664 6.382) 7.733 18.364 ( 7.060 -0.329 -2.522) 7.504 18.364 ( 7.060 -0.329 2.522) 7.504 19.215 ( -9.486 0.283 -18.760) 21.024 19.215 ( -9.486 0.283 18.760) 21.024 20.070 ( 0.861 0.611 -2.590) 2.797 20.070 ( 0.861 0.611 2.590) 2.797 20.336 ( -7.993 0.271 -2.002) 8.244 20.336 ( -7.993 0.271 2.002) 8.244 21.022 ( -1.270 0.130 -3.178) 3.425 21.022 ( -1.270 0.130 3.178) 3.425 21.311 ( 6.154 1.365 -7.077) 9.477 21.311 ( 6.154 1.365 7.077) 9.477 21.589 ( 1.538 -1.080 -2.698) 3.288 21.589 ( 1.538 -1.080 2.698) 3.288 21.880 ( 3.130 0.128 -1.505) 3.475 21.880 ( 3.130 0.128 1.505) 3.475 22.109 ( -5.290 0.598 -1.961) 5.674 22.109 ( -5.290 0.598 1.961) 5.674 22.274 ( -2.783 0.176 -1.143) 3.014 22.274 ( -2.783 0.176 1.143) 3.014 22.717 ( 3.138 -0.106 -7.122) 7.783 22.717 ( 3.138 -0.106 7.122) 7.783 23.523 ( 2.601 -0.885 -1.355) 3.063 23.523 ( 2.601 -0.885 1.355) 3.063 24.310 ( 4.147 0.207 -7.051) 8.183 24.310 ( 4.147 0.207 7.051) 8.183 25.098 ( -2.008 -0.425 -10.882) 11.073 25.098 ( -2.008 -0.425 10.882) 11.073 25.424 ( -2.787 1.186 -1.497) 3.379 25.424 ( -2.787 1.186 1.497) 3.379 25.577 ( 0.831 -0.745 -2.067) 2.349 25.577 ( 0.831 -0.745 2.067) 2.349 26.151 ( -1.646 -0.134 -2.587) 3.069 26.151 ( -1.646 -0.134 2.587) 3.069 26.219 ( 2.485 0.931 -5.845) 6.419 26.219 ( 2.485 0.931 5.845) 6.419 26.597 ( -3.488 -0.124 -0.328) 3.505 26.597 ( -3.488 -0.124 0.328) 3.505 27.151 ( -1.272 0.134 -0.353) 1.327 27.151 ( -1.272 0.134 0.353) 1.327 27.390 ( 0.066 0.164 -0.216) 0.279 27.390 ( 0.066 0.164 0.216) 0.279 27.567 ( -0.895 -0.053 -0.612) 1.085 27.567 ( -0.895 -0.053 0.612) 1.085 27.835 ( -1.347 0.049 -0.149) 1.356 27.835 ( -1.347 0.049 0.149) 1.356 28.817 ( 5.996 0.015 -0.477) 6.015 28.817 ( 5.996 0.015 0.477) 6.015 29.282 ( -8.269 0.272 -2.566) 8.662 29.282 ( -8.269 0.272 2.566) 8.662 ======================= Grid point 279 (83/100) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.027 ( 11.096 -0.487 -3.277) 11.580 5.027 ( 11.096 -0.487 3.277) 11.580 5.313 ( -8.373 0.245 -4.244) 9.390 5.313 ( -8.373 0.245 4.244) 9.390 6.412 ( 32.230 1.527 -24.261) 40.370 6.412 ( 32.230 1.527 24.261) 40.370 7.302 ( 14.539 -7.492 -34.505) 38.185 7.302 ( 14.539 -7.492 34.505) 38.185 8.027 ( -6.826 17.239 -14.852) 23.757 8.027 ( -6.826 17.239 14.852) 23.757 8.862 ( 12.979 -7.860 -11.327) 18.935 8.862 ( 12.979 -7.860 11.327) 18.935 9.455 ( 2.119 2.423 -18.410) 18.689 9.455 ( 2.119 2.423 18.410) 18.689 9.992 ( 17.683 -15.732 -14.992) 28.017 9.992 ( 17.683 -15.732 14.992) 28.017 10.042 ( 0.730 1.558 -7.067) 7.273 10.042 ( 0.730 1.558 7.067) 7.273 10.777 ( -17.069 -11.035 -5.556) 21.071 10.777 ( -17.069 -11.035 5.556) 21.071 11.092 ( 4.456 -3.262 -4.104) 6.880 11.092 ( 4.456 -3.262 4.104) 6.880 11.684 ( 6.980 1.598 -4.802) 8.622 11.684 ( 6.980 1.598 4.802) 8.622 12.252 ( 0.761 7.150 -5.084) 8.806 12.252 ( 0.761 7.150 5.084) 8.806 12.571 ( 27.222 -6.161 -5.489) 28.445 12.571 ( 27.222 -6.161 5.489) 28.445 13.531 ( -13.316 17.144 -11.247) 24.449 13.531 ( -13.316 17.144 11.247) 24.449 14.267 ( -18.372 -4.213 -10.516) 21.584 14.267 ( -18.372 -4.213 10.516) 21.584 15.181 ( -2.446 -6.853 -15.275) 16.920 15.181 ( -2.446 -6.853 15.275) 16.920 15.592 ( 1.979 4.800 -18.098) 18.828 15.592 ( 1.979 4.800 18.098) 18.828 15.907 ( -0.170 -0.346 -1.140) 1.203 15.907 ( -0.170 -0.346 1.140) 1.203 16.751 ( -1.905 4.515 -4.818) 6.872 16.751 ( -1.905 4.515 4.818) 6.872 16.794 ( -8.590 6.261 -4.405) 11.506 16.794 ( -8.590 6.261 4.405) 11.506 17.218 ( -5.853 -6.627 -4.256) 9.813 17.218 ( -5.853 -6.627 4.256) 9.813 17.891 ( 3.273 -2.417 -3.414) 5.311 17.891 ( 3.273 -2.417 3.414) 5.311 18.476 ( 4.024 -0.576 -0.831) 4.149 18.476 ( 4.024 -0.576 0.831) 4.149 19.086 ( -3.978 0.524 -9.387) 10.208 19.086 ( -3.978 0.524 9.387) 10.208 20.052 ( -0.410 3.240 -3.633) 4.885 20.052 ( -0.410 3.240 3.633) 4.885 20.236 ( -2.981 -1.455 -3.165) 4.585 20.236 ( -2.981 -1.455 3.165) 4.585 21.003 ( -0.489 0.610 -0.814) 1.129 21.003 ( -0.489 0.610 0.814) 1.129 21.379 ( 2.647 2.316 -3.335) 4.847 21.379 ( 2.647 2.316 3.335) 4.847 21.645 ( 2.233 -3.552 -4.863) 6.423 21.645 ( 2.233 -3.552 4.863) 6.423 21.907 ( -0.793 0.159 -2.351) 2.487 21.907 ( -0.793 0.159 2.351) 2.487 22.005 ( -4.885 0.228 -2.549) 5.515 22.005 ( -4.885 0.228 2.549) 5.515 22.242 ( -0.001 0.704 -1.074) 1.284 22.242 ( -0.001 0.704 1.074) 1.284 22.758 ( 1.038 -0.244 -3.917) 4.059 22.758 ( 1.038 -0.244 3.917) 4.059 23.575 ( 2.162 -0.377 -1.186) 2.495 23.575 ( 2.162 -0.377 1.186) 2.495 24.361 ( 1.376 0.104 -1.613) 2.123 24.361 ( 1.376 0.104 1.613) 2.123 25.074 ( -1.274 -1.252 -6.575) 6.813 25.074 ( -1.274 -1.252 6.575) 6.813 25.366 ( -1.808 1.240 -2.277) 3.161 25.366 ( -1.808 1.240 2.277) 3.161 25.612 ( 2.145 0.215 -0.439) 2.200 25.612 ( 2.145 0.215 0.439) 2.200 26.119 ( -2.034 -0.691 -3.772) 4.341 26.119 ( -2.034 -0.691 3.772) 4.341 26.238 ( 0.772 1.249 -3.542) 3.835 26.238 ( 0.772 1.249 3.542) 3.835 26.551 ( -1.465 -0.222 -0.752) 1.662 26.551 ( -1.465 -0.222 0.752) 1.662 27.134 ( -0.574 -0.014 -0.505) 0.764 27.134 ( -0.574 -0.014 0.505) 0.764 27.380 ( -1.105 -0.477 -0.871) 1.486 27.380 ( -1.105 -0.477 0.871) 1.486 27.564 ( 0.713 0.624 -0.668) 1.159 27.564 ( 0.713 0.624 0.668) 1.159 27.815 ( -0.676 0.022 -0.852) 1.088 27.815 ( -0.676 0.022 0.852) 1.088 28.937 ( 6.666 -0.079 -0.740) 6.707 28.937 ( 6.666 -0.079 0.740) 6.707 29.124 ( -8.051 0.198 -1.438) 8.180 29.124 ( -8.051 0.198 1.438) 8.180 ======================= Grid point 281 (84/100) ======================= q-point: (-0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.037 ( -11.348 -0.156 -3.529) 11.885 5.037 ( -11.348 -0.156 3.529) 11.885 5.295 ( 7.443 -0.524 -3.096) 8.078 5.295 ( 7.443 -0.524 3.096) 8.078 6.755 ( 9.894 18.731 -3.144) 21.415 6.755 ( 9.894 18.731 3.144) 21.415 7.282 ( -15.928 -8.089 -14.336) 22.906 7.282 ( -15.928 -8.089 14.336) 22.906 8.022 ( 19.682 14.674 -18.152) 30.532 8.022 ( 19.682 14.674 18.152) 30.532 9.028 ( -7.879 5.328 -6.610) 11.582 9.028 ( -7.879 5.328 6.610) 11.582 9.387 ( 2.155 -4.197 -3.253) 5.731 9.387 ( 2.155 -4.197 3.253) 5.731 9.884 ( -3.970 -0.095 -6.347) 7.487 9.884 ( -3.970 -0.095 6.347) 7.487 10.377 ( -4.795 -6.245 -5.854) 9.811 10.377 ( -4.795 -6.245 5.854) 9.811 10.741 ( -3.447 -20.620 -5.206) 21.544 10.741 ( -3.447 -20.620 5.206) 21.544 11.304 ( 13.461 0.362 -1.810) 13.587 11.304 ( 13.461 0.362 1.810) 13.587 11.740 ( -0.345 3.125 -10.496) 10.957 11.740 ( -0.345 3.125 10.496) 10.957 12.155 ( 4.660 17.314 -10.798) 20.931 12.155 ( 4.660 17.314 10.798) 20.931 12.774 ( -4.348 2.663 -1.771) 5.397 12.774 ( -4.348 2.663 1.771) 5.397 13.302 ( -5.645 5.068 -9.825) 12.413 13.302 ( -5.645 5.068 9.825) 12.413 14.094 ( -1.560 -11.152 -6.472) 12.988 14.094 ( -1.560 -11.152 6.472) 12.988 15.191 ( -6.499 -9.503 -13.107) 17.445 15.191 ( -6.499 -9.503 13.107) 17.445 15.531 ( -0.452 5.566 -19.845) 20.616 15.531 ( -0.452 5.566 19.845) 20.616 15.908 ( -0.108 -0.289 -1.465) 1.497 15.908 ( -0.108 -0.289 1.465) 1.497 16.627 ( -0.368 3.168 -5.891) 6.699 16.627 ( -0.368 3.168 5.891) 6.699 16.810 ( 7.830 2.746 -7.964) 11.501 16.810 ( 7.830 2.746 7.964) 11.501 17.239 ( 1.736 -5.353 -5.121) 7.609 17.239 ( 1.736 -5.353 5.121) 7.609 17.943 ( 0.263 -0.642 -0.778) 1.042 17.943 ( 0.263 -0.642 0.778) 1.042 18.498 ( -2.285 0.177 -0.928) 2.473 18.498 ( -2.285 0.177 0.928) 2.473 19.072 ( 2.981 0.020 -3.040) 4.258 19.072 ( 2.981 0.020 3.040) 4.258 20.026 ( 1.918 3.038 -2.750) 4.525 20.026 ( 1.918 3.038 2.750) 4.525 20.247 ( 2.099 -1.319 -3.080) 3.954 20.247 ( 2.099 -1.319 3.080) 3.954 20.992 ( 0.175 0.722 -1.899) 2.039 20.992 ( 0.175 0.722 1.899) 2.039 21.354 ( -3.229 1.148 -2.275) 4.113 21.354 ( -3.229 1.148 2.275) 4.113 21.704 ( -1.564 -2.356 -2.409) 3.715 21.704 ( -1.564 -2.356 2.409) 3.715 21.869 ( -1.069 -0.869 -2.616) 2.956 21.869 ( -1.069 -0.869 2.616) 2.956 21.944 ( -2.700 -2.054 -3.755) 5.061 21.944 ( -2.700 -2.054 3.755) 5.061 22.260 ( 2.797 1.465 -1.272) 3.404 22.260 ( 2.797 1.465 1.272) 3.404 22.758 ( -1.309 -0.332 -0.268) 1.377 22.758 ( -1.309 -0.332 0.268) 1.377 23.606 ( 1.506 0.963 -0.178) 1.796 23.606 ( 1.506 0.963 0.178) 1.796 24.353 ( -2.359 -0.271 -3.854) 4.527 24.353 ( -2.359 -0.271 3.854) 4.527 25.079 ( 0.157 -1.518 -2.278) 2.742 25.079 ( 0.157 -1.518 2.278) 2.742 25.339 ( -0.012 0.585 -1.086) 1.233 25.339 ( -0.012 0.585 1.086) 1.233 25.643 ( 2.138 1.637 -2.143) 3.441 25.643 ( 2.138 1.637 2.143) 3.441 26.096 ( -1.832 -1.878 -5.235) 5.856 26.096 ( -1.832 -1.878 5.235) 5.856 26.226 ( -0.671 0.944 -2.083) 2.384 26.226 ( -0.671 0.944 2.083) 2.384 26.553 ( 1.522 -0.142 -1.070) 1.866 26.553 ( 1.522 -0.142 1.070) 1.866 27.129 ( -0.138 -0.251 -0.433) 0.520 27.129 ( -0.138 -0.251 0.433) 0.520 27.365 ( -1.291 -1.146 -1.776) 2.476 27.365 ( -1.291 -1.146 1.776) 2.476 27.575 ( 1.391 1.175 -0.613) 1.921 27.575 ( 1.391 1.175 0.613) 1.921 27.813 ( 0.543 -0.037 -1.566) 1.658 27.813 ( 0.543 -0.037 1.566) 1.658 28.941 ( -7.019 0.047 -0.504) 7.037 28.941 ( -7.019 0.047 0.504) 7.037 29.109 ( 6.972 -0.456 -1.889) 7.238 29.109 ( 6.972 -0.456 1.889) 7.238 ======================= Grid point 283 (85/100) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.779 ( -16.017 -0.214 -2.315) 16.184 4.779 ( -16.017 -0.214 2.315) 16.184 5.438 ( 6.361 -0.827 -4.095) 7.610 5.438 ( 6.361 -0.827 4.095) 7.610 6.371 ( -16.402 29.777 -23.605) 41.387 6.371 ( -16.402 29.777 23.605) 41.387 7.069 ( -18.675 3.047 -31.375) 36.639 7.069 ( -18.675 3.047 31.375) 36.639 8.137 ( 0.216 10.807 -14.518) 18.100 8.137 ( 0.216 10.807 14.518) 18.100 8.713 ( -5.287 3.188 -10.124) 11.858 8.713 ( -5.287 3.188 10.124) 11.858 9.582 ( 8.005 -0.919 -21.247) 22.723 9.582 ( 8.005 -0.919 21.247) 22.723 9.826 ( -6.185 -3.706 -17.690) 19.103 9.826 ( -6.185 -3.706 17.690) 19.103 10.278 ( -4.241 0.322 -12.074) 12.801 10.278 ( -4.241 0.322 12.074) 12.801 10.830 ( -3.904 -6.376 -5.390) 9.217 10.830 ( -3.904 -6.376 5.390) 9.217 11.197 ( -12.688 19.627 -24.525) 33.878 11.197 ( -12.688 19.627 24.525) 33.878 11.657 ( -1.568 2.393 -7.416) 7.949 11.657 ( -1.568 2.393 7.416) 7.949 12.264 ( 9.851 2.529 -10.513) 14.628 12.264 ( 9.851 2.529 10.513) 14.628 12.471 ( -16.463 12.201 -10.369) 22.966 12.471 ( -16.463 12.201 10.369) 22.966 13.275 ( 7.045 -10.149 -5.410) 13.487 13.275 ( 7.045 -10.149 5.410) 13.487 14.320 ( 4.439 -13.611 -8.114) 16.456 14.320 ( 4.439 -13.611 8.114) 16.456 15.135 ( -7.611 -7.463 -10.141) 14.712 15.135 ( -7.611 -7.463 10.141) 14.712 15.514 ( 1.324 0.619 -16.131) 16.197 15.514 ( 1.324 0.619 16.131) 16.197 15.938 ( 3.691 -0.741 -5.029) 6.282 15.938 ( 3.691 -0.741 5.029) 6.282 16.671 ( 3.754 -3.428 -5.934) 7.814 16.671 ( 3.754 -3.428 5.934) 7.814 16.957 ( 10.691 2.452 -12.864) 16.906 16.957 ( 10.691 2.452 12.864) 16.906 17.391 ( 9.524 -3.094 -12.602) 16.096 17.391 ( 9.524 -3.094 12.602) 16.096 17.909 ( -2.751 2.184 -4.154) 5.440 17.909 ( -2.751 2.184 4.154) 5.440 18.398 ( -7.142 1.136 -2.882) 7.785 18.398 ( -7.142 1.136 2.882) 7.785 19.190 ( 9.039 -0.822 -14.593) 17.185 19.190 ( 9.039 -0.822 14.593) 17.185 20.058 ( 3.474 1.714 -1.059) 4.016 20.058 ( 3.474 1.714 1.059) 4.016 20.325 ( 5.017 -0.655 -1.668) 5.328 20.325 ( 5.017 -0.655 1.668) 5.328 21.002 ( 1.324 -0.185 -4.572) 4.763 21.002 ( 1.324 -0.185 4.572) 4.763 21.251 ( -6.833 -0.406 -4.814) 8.369 21.251 ( -6.833 -0.406 4.814) 8.369 21.628 ( -6.254 -0.510 -1.880) 6.550 21.628 ( -6.254 -0.510 1.880) 6.550 21.861 ( -2.187 -0.779 -2.848) 3.674 21.861 ( -2.187 -0.779 2.848) 3.674 21.989 ( 3.058 -5.013 -6.637) 8.861 21.989 ( 3.058 -5.013 6.637) 8.861 22.300 ( 3.023 1.508 -3.589) 4.929 22.300 ( 3.023 1.508 3.589) 4.929 22.720 ( -3.049 -0.167 -4.307) 5.280 22.720 ( -3.049 -0.167 4.307) 5.280 23.608 ( 0.703 2.655 -0.840) 2.872 23.608 ( 0.703 2.655 0.840) 2.872 24.288 ( -4.979 -0.738 -8.139) 9.569 24.288 ( -4.979 -0.738 8.139) 9.569 25.103 ( 0.951 -0.967 -9.000) 9.101 25.103 ( 0.951 -0.967 9.000) 9.101 25.355 ( 1.652 -0.711 -1.550) 2.374 25.355 ( 1.652 -0.711 1.550) 2.374 25.657 ( 1.898 2.735 -4.406) 5.523 25.657 ( 1.898 2.735 4.406) 5.523 26.089 ( -1.993 -3.233 -6.651) 7.659 26.089 ( -1.993 -3.233 6.651) 7.659 26.202 ( -0.778 0.692 -2.358) 2.577 26.202 ( -0.778 0.692 2.358) 2.577 26.601 ( 3.213 -0.099 -0.676) 3.285 26.601 ( 3.213 -0.099 0.676) 3.285 27.134 ( 0.161 -0.687 -0.461) 0.842 27.134 ( 0.161 -0.687 0.461) 0.842 27.357 ( -0.951 -1.263 -2.578) 3.024 27.357 ( -0.951 -1.263 2.578) 3.024 27.590 ( 1.363 0.962 -0.098) 1.671 27.590 ( 1.363 0.962 0.098) 1.671 27.835 ( 1.764 0.146 -2.022) 2.687 27.835 ( 1.764 0.146 2.022) 2.687 28.814 ( -6.316 -0.153 -0.385) 6.329 28.814 ( -6.316 -0.153 0.385) 6.329 29.254 ( 7.502 -0.882 -2.965) 8.114 29.254 ( 7.502 -0.882 2.965) 8.114 ======================= Grid point 285 (86/100) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.469 ( -17.569 0.529 -0.936) 17.602 4.469 ( -17.569 0.529 0.936) 17.602 5.522 ( 1.289 2.355 -6.129) 6.691 5.522 ( 1.289 2.355 6.129) 6.691 5.735 ( -16.070 29.519 -32.414) 46.693 5.735 ( -16.070 29.519 32.414) 46.693 6.417 ( -35.870 20.402 -44.550) 60.725 6.417 ( -35.870 20.402 44.550) 60.725 7.916 ( -14.692 -4.207 -12.374) 19.664 7.916 ( -14.692 -4.207 12.374) 19.664 8.791 ( 12.882 9.120 -11.903) 19.768 8.791 ( 12.882 9.120 11.903) 19.768 9.542 ( -2.488 14.841 -40.958) 43.635 9.542 ( -2.488 14.841 40.958) 43.635 9.765 ( -6.851 -4.934 -1.552) 8.584 9.765 ( -6.851 -4.934 1.552) 8.584 10.219 ( 1.237 13.214 -12.971) 18.557 10.219 ( 1.237 13.214 12.971) 18.557 10.563 ( -16.768 9.416 -12.205) 22.777 10.563 ( -16.768 9.416 12.205) 22.777 10.995 ( -1.866 -7.480 -8.919) 11.789 10.995 ( -1.866 -7.480 8.919) 11.789 11.569 ( -3.543 5.914 -16.014) 17.435 11.569 ( -3.543 5.914 16.014) 17.435 11.886 ( -16.024 12.615 -15.985) 25.912 11.886 ( -16.024 12.615 15.985) 25.912 12.572 ( 12.669 0.948 -2.043) 12.867 12.572 ( 12.669 0.948 2.043) 12.867 13.632 ( 11.232 -18.546 -4.888) 22.226 13.632 ( 11.232 -18.546 4.888) 22.226 14.414 ( -6.316 -9.301 -5.544) 12.535 14.414 ( -6.316 -9.301 5.544) 12.535 15.110 ( -2.016 -5.131 -10.168) 11.567 15.110 ( -2.016 -5.131 10.168) 11.567 15.549 ( 2.249 -1.064 -16.607) 16.793 15.549 ( 2.249 -1.064 16.607) 16.793 16.045 ( 6.623 0.127 -9.954) 11.957 16.045 ( 6.623 0.127 9.954) 11.957 16.790 ( 1.529 -8.654 -5.437) 10.334 16.790 ( 1.529 -8.654 5.437) 10.334 17.143 ( 11.928 2.181 -12.252) 17.238 17.143 ( 11.928 2.181 12.252) 17.238 17.596 ( 7.604 -1.594 -13.737) 15.782 17.596 ( 7.604 -1.594 13.737) 15.782 17.833 ( -0.584 3.075 -4.991) 5.892 17.833 ( -0.584 3.075 4.991) 5.892 18.243 ( -8.048 0.863 -5.632) 9.861 18.243 ( -8.048 0.863 5.632) 9.861 19.401 ( 12.371 -1.254 -23.962) 26.996 19.401 ( 12.371 -1.254 23.962) 26.996 20.083 ( 0.517 2.083 -2.771) 3.505 20.083 ( 0.517 2.083 2.771) 3.505 20.433 ( 5.175 -1.529 -2.925) 6.138 20.433 ( 5.175 -1.529 2.925) 6.138 21.029 ( 0.360 -0.504 -7.328) 7.354 21.029 ( 0.360 -0.504 7.328) 7.354 21.160 ( -3.170 -2.272 -3.012) 4.928 21.160 ( -3.170 -2.272 3.012) 4.928 21.521 ( -6.187 -1.514 -2.276) 6.764 21.521 ( -6.187 -1.514 2.276) 6.764 21.823 ( -2.205 -0.114 -4.880) 5.356 21.823 ( -2.205 -0.114 4.880) 5.356 22.103 ( 3.289 -4.827 -6.704) 8.891 22.103 ( 3.289 -4.827 6.704) 8.891 22.338 ( 2.495 0.744 -4.137) 4.888 22.338 ( 2.495 0.744 4.137) 4.888 22.656 ( -3.741 0.230 -7.292) 8.198 22.656 ( -3.741 0.230 7.292) 8.198 23.577 ( -0.207 4.252 -0.728) 4.319 23.577 ( -0.207 4.252 0.728) 4.319 24.200 ( -5.263 -1.137 -11.702) 12.882 24.200 ( -5.263 -1.137 11.702) 12.882 25.128 ( 0.916 -0.385 -10.888) 10.933 25.128 ( 0.916 -0.385 10.888) 10.933 25.405 ( 2.066 -1.510 -2.513) 3.587 25.405 ( 2.066 -1.510 2.513) 3.587 25.666 ( 2.540 2.612 -8.502) 9.249 25.666 ( 2.540 2.612 8.502) 9.249 26.077 ( -3.313 -3.353 -6.711) 8.201 26.077 ( -3.313 -3.353 6.711) 8.201 26.190 ( 0.110 0.338 -3.650) 3.667 26.190 ( 0.110 0.338 3.650) 3.667 26.662 ( 3.142 -0.153 -1.169) 3.356 26.662 ( 3.142 -0.153 1.169) 3.356 27.150 ( 0.517 -1.402 -0.589) 1.606 27.150 ( 0.517 -1.402 0.589) 1.606 27.354 ( -0.609 -0.850 -3.251) 3.415 27.354 ( -0.609 -0.850 3.251) 3.415 27.605 ( 1.074 0.305 -0.992) 1.494 27.605 ( 1.074 0.305 0.992) 1.494 27.869 ( 2.186 0.498 -2.395) 3.280 27.869 ( 2.186 0.498 2.395) 3.280 28.719 ( -4.191 -0.250 -1.542) 4.473 28.719 ( -4.191 -0.250 1.542) 4.473 29.390 ( 5.928 -1.228 -3.747) 7.119 29.390 ( 5.928 -1.228 3.747) 7.119 ======================= Grid point 287 (87/100) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.141 ( -15.068 3.306 -9.328) 18.028 4.141 ( -15.068 3.306 9.328) 18.028 5.095 ( -10.335 33.667 -46.445) 58.287 5.095 ( -10.335 33.667 46.445) 58.287 5.469 ( -21.898 14.854 -32.113) 41.610 5.469 ( -21.898 14.854 32.113) 41.610 5.673 ( -7.164 7.377 -15.193) 18.346 5.673 ( -7.164 7.377 15.193) 18.346 7.730 ( -9.606 -3.220 -43.701) 44.860 7.730 ( -9.606 -3.220 43.701) 44.860 8.852 ( 6.346 17.066 -5.227) 18.943 8.852 ( 6.346 17.066 5.227) 18.943 9.373 ( 1.667 11.984 -27.726) 30.251 9.373 ( 1.667 11.984 27.726) 30.251 9.578 ( -13.666 2.559 -9.158) 16.648 9.578 ( -13.666 2.559 9.158) 16.648 9.970 ( -4.924 19.119 -16.235) 25.561 9.970 ( -4.924 19.119 16.235) 25.561 10.352 ( -3.869 -0.385 -6.350) 7.445 10.352 ( -3.869 -0.385 6.350) 7.445 11.101 ( 2.523 -7.984 -13.790) 16.133 11.101 ( 2.523 -7.984 13.790) 16.133 11.457 ( -0.617 5.003 -25.603) 26.094 11.457 ( -0.617 5.003 25.603) 26.094 11.616 ( -6.724 3.518 -19.828) 21.231 11.616 ( -6.724 3.518 19.828) 21.231 12.769 ( 8.713 -1.051 -8.238) 12.037 12.769 ( 8.713 -1.051 8.238) 12.037 13.939 ( 3.765 -10.147 -2.865) 11.196 13.939 ( 3.765 -10.147 2.865) 11.196 14.371 ( -6.408 -11.826 -11.389) 17.625 14.371 ( -6.408 -11.826 11.389) 17.625 15.139 ( 0.331 -2.460 -10.707) 10.991 15.139 ( 0.331 -2.460 10.707) 10.991 15.606 ( 2.285 -0.857 -20.718) 20.861 15.606 ( 2.285 -0.857 20.718) 20.861 16.152 ( 5.507 1.307 -12.254) 13.498 16.152 ( 5.507 1.307 12.254) 13.498 16.878 ( -0.693 -7.038 -9.103) 11.528 16.878 ( -0.693 -7.038 9.103) 11.528 17.336 ( 10.234 0.449 -11.332) 15.276 17.336 ( 10.234 0.449 11.332) 15.276 17.606 ( -4.375 0.760 -9.135) 10.157 17.606 ( -4.375 0.760 9.135) 10.157 17.900 ( 6.712 0.466 -8.377) 10.744 17.900 ( 6.712 0.466 8.377) 10.744 18.107 ( -5.932 -0.292 -9.761) 11.426 18.107 ( -5.932 -0.292 9.761) 11.426 19.643 ( 11.758 -1.486 -30.909) 33.104 19.643 ( 11.758 -1.486 30.909) 33.104 20.027 ( -3.532 2.703 -7.637) 8.838 20.027 ( -3.532 2.703 7.637) 8.838 20.530 ( 2.391 -3.606 -6.082) 7.464 20.530 ( 2.391 -3.606 6.082) 7.464 21.031 ( -0.052 -0.743 -2.410) 2.522 21.031 ( -0.052 -0.743 2.410) 2.522 21.175 ( 1.176 -1.322 -1.516) 2.330 21.175 ( 1.176 -1.322 1.516) 2.330 21.443 ( -4.474 -2.881 -1.289) 5.475 21.443 ( -4.474 -2.881 1.289) 5.475 21.788 ( -1.303 0.427 -6.528) 6.671 21.788 ( -1.303 0.427 6.528) 6.671 22.196 ( 2.027 -3.735 -5.478) 6.933 22.196 ( 2.027 -3.735 5.478) 6.933 22.377 ( 1.834 -0.345 -2.620) 3.217 22.377 ( 1.834 -0.345 2.620) 3.217 22.587 ( -2.984 0.582 -8.692) 9.208 22.587 ( -2.984 0.582 8.692) 9.208 23.522 ( -0.512 4.774 -0.984) 4.902 23.522 ( -0.512 4.774 0.984) 4.902 24.131 ( -3.293 -1.241 -14.349) 14.774 24.131 ( -3.293 -1.241 14.349) 14.774 25.144 ( 0.465 -0.184 -9.754) 9.766 25.144 ( 0.465 -0.184 9.754) 9.766 25.442 ( 0.621 -0.568 -2.283) 2.433 25.442 ( 0.621 -0.568 2.283) 2.433 25.710 ( 4.021 0.640 -15.495) 16.021 25.710 ( 4.021 0.640 15.495) 16.021 26.032 ( -4.116 -1.697 -2.839) 5.280 26.032 ( -4.116 -1.697 2.839) 5.280 26.198 ( 0.447 -0.465 -3.412) 3.473 26.198 ( 0.447 -0.465 3.412) 3.473 26.712 ( 1.895 -0.239 -1.572) 2.474 26.712 ( 1.895 -0.239 1.572) 2.474 27.179 ( 0.658 -2.011 -0.600) 2.199 27.179 ( 0.658 -2.011 0.600) 2.199 27.350 ( -0.448 -0.224 -3.639) 3.674 27.350 ( -0.448 -0.224 3.639) 3.674 27.622 ( 0.699 -0.294 -1.689) 1.852 27.622 ( 0.699 -0.294 1.689) 1.852 27.897 ( 1.439 0.772 -2.597) 3.068 27.897 ( 1.439 0.772 2.597) 3.068 28.666 ( -1.999 -0.271 -2.604) 3.294 28.666 ( -1.999 -0.271 2.604) 3.294 29.488 ( 3.286 -1.296 -4.313) 5.574 29.488 ( 3.286 -1.296 4.313) 5.574 ======================= Grid point 289 (88/100) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.933 ( 0.000 5.265 -20.595) 21.257 3.933 ( 0.000 5.265 20.595) 21.257 4.657 ( 0.000 30.794 -59.339) 66.854 4.657 ( 0.000 30.794 59.339) 66.854 5.031 ( 0.000 12.954 -41.516) 43.490 5.031 ( 0.000 12.954 41.516) 43.490 5.639 ( 0.000 0.461 -6.917) 6.932 5.639 ( 0.000 0.461 6.917) 6.932 7.655 ( -0.000 -0.819 -70.523) 70.528 7.655 ( -0.000 -0.819 70.523) 70.528 8.702 ( 0.000 19.281 -18.844) 26.960 8.702 ( 0.000 19.281 18.844) 26.960 9.334 ( 0.000 4.823 -12.111) 13.036 9.334 ( 0.000 4.823 12.111) 13.036 9.360 ( 0.000 9.950 -15.176) 18.147 9.360 ( 0.000 9.950 15.176) 18.147 9.783 ( 0.000 6.109 -8.153) 10.188 9.783 ( 0.000 6.109 8.153) 10.188 10.332 ( -0.000 -1.371 -5.126) 5.306 10.332 ( -0.000 -1.371 5.126) 5.306 11.171 ( -0.000 -0.833 -8.655) 8.695 11.171 ( -0.000 -0.833 8.655) 8.695 11.457 ( 0.000 0.438 -43.705) 43.707 11.457 ( 0.000 0.438 43.705) 43.707 11.525 ( -0.000 -0.763 -11.585) 11.610 11.525 ( -0.000 -0.763 11.585) 11.610 12.877 ( -0.000 -1.693 -9.667) 9.814 12.877 ( -0.000 -1.693 9.667) 9.814 13.990 ( -0.000 -1.395 -6.350) 6.501 13.990 ( -0.000 -1.395 6.350) 6.501 14.471 ( -0.000 -14.961 -16.075) 21.960 14.471 ( -0.000 -14.961 16.075) 21.960 15.158 ( -0.000 -0.243 -12.719) 12.721 15.158 ( -0.000 -0.243 12.719) 12.721 15.626 ( 0.000 1.379 -23.084) 23.125 15.626 ( 0.000 1.379 23.084) 23.125 16.200 ( 0.000 0.512 -10.483) 10.496 16.200 ( 0.000 0.512 10.483) 10.496 16.920 ( -0.000 -3.518 -13.159) 13.621 16.920 ( -0.000 -3.518 13.159) 13.621 17.474 ( -0.000 -0.443 -6.660) 6.674 17.474 ( -0.000 -0.443 6.660) 6.674 17.519 ( -0.000 -0.407 -13.423) 13.429 17.519 ( -0.000 -0.407 13.423) 13.429 17.963 ( 0.000 0.875 -2.418) 2.571 17.963 ( 0.000 0.875 2.418) 2.571 18.055 ( -0.000 -1.097 -15.886) 15.923 18.055 ( -0.000 -1.097 15.886) 15.923 19.801 ( -0.000 -1.574 -36.433) 36.467 19.801 ( -0.000 -1.574 36.433) 36.467 19.940 ( 0.000 2.370 -7.283) 7.659 19.940 ( 0.000 2.370 7.283) 7.659 20.592 ( -0.000 -4.163 -7.257) 8.366 20.592 ( -0.000 -4.163 7.257) 8.366 21.038 ( -0.000 -0.273 -1.288) 1.316 21.038 ( -0.000 -0.273 1.288) 1.316 21.194 ( 0.000 0.145 -1.175) 1.184 21.194 ( 0.000 0.145 1.175) 1.184 21.431 ( -0.000 -3.057 -0.471) 3.093 21.431 ( -0.000 -3.057 0.471) 3.093 21.771 ( 0.000 0.496 -6.877) 6.895 21.771 ( 0.000 0.496 6.877) 6.895 22.247 ( -0.000 -2.347 -3.833) 4.495 22.247 ( -0.000 -2.347 3.833) 4.495 22.403 ( -0.000 -0.888 -0.635) 1.091 22.403 ( -0.000 -0.888 0.635) 1.091 22.550 ( 0.000 0.616 -8.822) 8.843 22.550 ( 0.000 0.616 8.822) 8.843 23.472 ( 0.000 3.809 -1.249) 4.009 23.472 ( 0.000 3.809 1.249) 4.009 24.112 ( -0.000 -0.973 -15.142) 15.173 24.112 ( -0.000 -0.973 15.142) 15.173 25.149 ( -0.000 -0.149 -8.661) 8.662 25.149 ( -0.000 -0.149 8.661) 8.662 25.447 ( 0.000 0.049 -1.864) 1.864 25.447 ( 0.000 0.049 1.864) 1.864 25.762 ( -0.000 -0.438 -21.776) 21.781 25.762 ( -0.000 -0.438 21.776) 21.781 25.992 ( -0.000 -0.512 -2.905) 2.949 25.992 ( -0.000 -0.512 2.905) 2.949 26.209 ( -0.000 -0.654 -2.786) 2.862 26.209 ( -0.000 -0.654 2.786) 2.862 26.732 ( -0.000 -0.211 -1.344) 1.360 26.732 ( -0.000 -0.211 1.344) 1.360 27.207 ( -0.000 -1.843 -0.475) 1.903 27.207 ( -0.000 -1.843 0.475) 1.903 27.345 ( 0.000 0.071 -3.413) 3.413 27.345 ( 0.000 0.071 3.413) 3.413 27.633 ( -0.000 -0.402 -1.751) 1.796 27.633 ( -0.000 -0.402 1.751) 1.796 27.903 ( 0.000 0.694 -2.448) 2.544 27.903 ( 0.000 0.694 2.448) 2.544 28.650 ( -0.000 -0.227 -3.142) 3.151 28.650 ( -0.000 -0.227 3.142) 3.151 29.531 ( -0.000 -1.017 -4.522) 4.635 29.531 ( -0.000 -1.017 4.522) 4.635 ======================= Grid point 295 (89/100) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.022 ( 11.107 -0.000 -3.652) 11.692 5.022 ( 11.107 -0.000 3.652) 11.692 5.316 ( -8.437 0.000 -4.488) 9.556 5.316 ( -8.437 0.000 4.488) 9.556 6.440 ( 37.090 -0.000 -26.467) 45.565 6.440 ( 37.090 -0.000 26.467) 45.565 7.229 ( 18.486 -0.000 -34.127) 38.813 7.229 ( 18.486 -0.000 34.127) 38.813 8.279 ( -7.873 0.000 -9.615) 12.427 8.279 ( -7.873 0.000 9.615) 12.427 8.700 ( 9.778 -0.000 -23.683) 25.622 8.700 ( 9.778 -0.000 23.683) 25.622 9.567 ( 1.711 -0.000 -3.197) 3.626 9.567 ( 1.711 -0.000 3.197) 3.626 9.669 ( 37.438 -0.000 -26.192) 45.690 9.669 ( 37.438 -0.000 26.192) 45.690 10.168 ( -1.309 0.000 -0.425) 1.377 10.168 ( -1.309 0.000 0.425) 1.377 10.603 ( -31.456 0.000 -10.857) 33.277 10.603 ( -31.456 0.000 10.857) 33.277 11.065 ( 5.169 -0.000 -0.928) 5.251 11.065 ( 5.169 -0.000 0.928) 5.251 11.705 ( 8.502 -0.000 -5.483) 10.117 11.705 ( 8.502 -0.000 5.483) 10.117 12.316 ( 6.651 -0.000 -1.250) 6.767 12.316 ( 6.651 -0.000 1.250) 6.767 12.507 ( 28.739 -0.000 -3.521) 28.954 12.507 ( 28.739 -0.000 3.521) 28.954 13.782 ( -13.883 0.000 -12.347) 18.579 13.782 ( -13.883 0.000 12.347) 18.579 14.167 ( -23.433 0.000 -14.308) 27.455 14.167 ( -23.433 0.000 14.308) 27.455 15.101 ( -3.861 0.000 -12.163) 12.761 15.101 ( -3.861 0.000 12.163) 12.761 15.642 ( 3.381 -0.000 -17.417) 17.742 15.642 ( 3.381 -0.000 17.417) 17.742 15.902 ( -0.345 0.000 -2.483) 2.506 15.902 ( -0.345 0.000 2.483) 2.506 16.771 ( -2.236 0.000 -6.706) 7.069 16.771 ( -2.236 0.000 6.706) 7.069 16.981 ( -9.817 0.000 -3.219) 10.331 16.981 ( -9.817 0.000 3.219) 10.331 17.062 ( -6.155 0.000 -4.287) 7.501 17.062 ( -6.155 0.000 4.287) 7.501 17.863 ( 3.880 -0.000 -4.023) 5.589 17.863 ( 3.880 -0.000 4.023) 5.589 18.470 ( 4.192 -0.000 -0.533) 4.226 18.470 ( 4.192 -0.000 0.533) 4.226 19.092 ( -4.027 0.000 -10.448) 11.197 19.092 ( -4.027 0.000 10.448) 11.197 20.095 ( 1.314 -0.000 -2.135) 2.507 20.095 ( 1.314 -0.000 2.135) 2.507 20.215 ( -4.478 0.000 -3.519) 5.695 20.215 ( -4.478 0.000 3.519) 5.695 21.009 ( -0.279 0.000 -0.451) 0.530 21.009 ( -0.279 0.000 0.451) 0.530 21.413 ( 2.829 -0.000 -3.342) 4.378 21.413 ( 2.829 -0.000 3.342) 4.378 21.599 ( 1.422 -0.000 -6.081) 6.245 21.599 ( 1.422 -0.000 6.081) 6.245 21.903 ( -1.738 0.000 -2.073) 2.705 21.903 ( -1.738 0.000 2.073) 2.705 22.008 ( -5.181 0.000 -2.537) 5.769 22.008 ( -5.181 0.000 2.537) 5.769 22.251 ( 0.397 -0.000 -0.364) 0.539 22.251 ( 0.397 -0.000 0.364) 0.539 22.755 ( 0.961 -0.000 -4.703) 4.800 22.755 ( 0.961 -0.000 4.703) 4.800 23.571 ( 2.899 -0.000 -1.405) 3.222 23.571 ( 2.899 -0.000 1.405) 3.222 24.362 ( 1.191 -0.000 -1.262) 1.735 24.362 ( 1.191 -0.000 1.262) 1.735 25.059 ( -1.556 0.000 -7.076) 7.245 25.059 ( -1.556 0.000 7.076) 7.245 25.380 ( -2.206 0.000 -2.061) 3.019 25.380 ( -2.206 0.000 2.061) 3.019 25.616 ( 3.066 -0.000 -0.757) 3.158 25.616 ( 3.066 -0.000 0.757) 3.158 26.111 ( -2.503 0.000 -3.995) 4.714 26.111 ( -2.503 0.000 3.995) 4.714 26.252 ( 0.533 -0.000 -2.941) 2.989 26.252 ( 0.533 -0.000 2.941) 2.989 26.548 ( -1.446 0.000 -1.011) 1.765 26.548 ( -1.446 0.000 1.011) 1.765 27.133 ( -0.705 0.000 -0.695) 0.990 27.133 ( -0.705 0.000 0.695) 0.990 27.373 ( -1.568 0.000 -1.091) 1.910 27.373 ( -1.568 0.000 1.091) 1.910 27.572 ( 1.164 -0.000 -0.538) 1.282 27.572 ( 1.164 -0.000 0.538) 1.282 27.815 ( -0.748 0.000 -1.298) 1.498 27.815 ( -0.748 0.000 1.298) 1.498 28.937 ( 6.629 -0.000 -0.776) 6.674 28.937 ( 6.629 -0.000 0.776) 6.674 29.126 ( -8.283 0.000 -1.332) 8.389 29.126 ( -8.283 0.000 1.332) 8.389 ======================= Grid point 297 (90/100) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 5.034 ( -11.246 -0.105 -4.107) 11.973 5.034 ( -11.246 -0.105 4.107) 11.973 5.286 ( 6.818 -0.263 -2.434) 7.244 5.286 ( 6.818 -0.263 2.434) 7.244 6.986 ( 19.156 1.065 -10.025) 21.647 6.986 ( 19.156 1.065 10.025) 21.647 7.324 ( -1.450 10.682 -9.948) 14.669 7.324 ( -1.450 10.682 9.948) 14.669 8.244 ( 10.407 6.032 -15.688) 19.769 8.244 ( 10.407 6.032 15.688) 19.769 8.959 ( 9.785 -8.927 -29.089) 31.963 8.959 ( 9.785 -8.927 29.089) 31.963 9.500 ( -7.108 12.104 -15.020) 20.558 9.500 ( -7.108 12.104 15.020) 20.558 9.894 ( -20.352 1.563 -2.065) 20.516 9.894 ( -20.352 1.563 2.065) 20.516 10.193 ( -7.213 -11.502 -4.498) 14.302 10.193 ( -7.213 -11.502 4.498) 14.302 10.350 ( 15.108 -11.993 -3.617) 19.626 10.350 ( 15.108 -11.993 3.617) 19.626 11.245 ( 13.919 -2.412 -4.065) 14.700 11.245 ( 13.919 -2.412 4.065) 14.700 11.834 ( 6.747 3.207 -8.445) 11.275 11.834 ( 6.747 3.207 8.445) 11.275 12.432 ( 9.223 6.639 -1.378) 11.448 12.432 ( 9.223 6.639 1.378) 11.448 12.853 ( 3.272 3.848 -6.116) 7.932 12.853 ( 3.272 3.848 6.116) 7.932 13.451 ( -16.108 9.198 -14.488) 23.537 13.451 ( -16.108 9.198 14.488) 23.537 13.845 ( -10.752 -11.873 -11.061) 19.466 13.845 ( -10.752 -11.873 11.061) 19.466 15.031 ( -6.643 -4.877 -10.815) 13.597 15.031 ( -6.643 -4.877 10.815) 13.597 15.622 ( -3.339 2.702 -23.944) 24.327 15.622 ( -3.339 2.702 23.944) 24.327 15.898 ( -0.042 -0.458 -3.123) 3.156 15.898 ( -0.042 -0.458 3.123) 3.156 16.714 ( -2.956 3.508 -5.091) 6.853 16.714 ( -2.956 3.508 5.091) 6.853 16.892 ( 5.643 5.740 -4.559) 9.251 16.892 ( 5.643 5.740 4.559) 9.251 17.088 ( 3.185 -8.532 -7.363) 11.711 17.088 ( 3.185 -8.532 7.363) 11.711 17.927 ( 2.352 -0.556 -0.313) 2.437 17.927 ( 2.352 -0.556 0.313) 2.437 18.498 ( -1.461 -0.039 -0.785) 1.659 18.498 ( -1.461 -0.039 0.785) 1.659 19.074 ( 2.260 0.099 -0.681) 2.362 19.074 ( 2.260 0.099 0.681) 2.362 20.101 ( 1.779 3.434 -3.521) 5.230 20.101 ( 1.779 3.434 3.521) 5.230 20.208 ( 2.272 -2.144 -6.524) 7.234 20.208 ( 2.272 -2.144 6.524) 7.234 21.007 ( 0.215 0.473 -1.911) 1.980 21.007 ( 0.215 0.473 1.911) 1.980 21.384 ( -4.572 1.264 -2.802) 5.509 21.384 ( -4.572 1.264 2.802) 5.509 21.653 ( 1.422 -1.768 -6.935) 7.297 21.653 ( 1.422 -1.768 6.935) 7.297 21.832 ( -4.630 -1.834 -2.896) 5.761 21.832 ( -4.630 -1.834 2.896) 5.761 21.932 ( -3.380 0.185 -2.162) 4.017 21.932 ( -3.380 0.185 2.162) 4.017 22.283 ( 2.978 0.669 -0.411) 3.080 22.283 ( 2.978 0.669 0.411) 3.080 22.752 ( -1.370 -0.220 -1.114) 1.780 22.752 ( -1.370 -0.220 1.114) 1.780 23.621 ( 2.669 0.444 -0.576) 2.766 23.621 ( 2.669 0.444 0.576) 2.766 24.349 ( -2.722 -0.134 -4.846) 5.560 24.349 ( -2.722 -0.134 4.846) 5.560 25.051 ( 0.206 -0.869 -1.127) 1.438 25.051 ( 0.206 -0.869 1.127) 1.438 25.352 ( -0.532 0.410 -1.819) 1.939 25.352 ( -0.532 0.410 1.819) 1.939 25.672 ( 3.227 0.921 -2.440) 4.150 25.672 ( 3.227 0.921 2.440) 4.150 26.065 ( -2.889 -0.939 -6.027) 6.750 26.065 ( -2.889 -0.939 6.027) 6.750 26.242 ( -1.038 0.505 -1.079) 1.580 26.242 ( -1.038 0.505 1.079) 1.580 26.550 ( 1.545 -0.120 -1.718) 2.314 26.550 ( 1.545 -0.120 1.718) 2.314 27.124 ( -0.402 -0.140 -0.646) 0.774 27.124 ( -0.402 -0.140 0.646) 0.774 27.346 ( -1.461 -0.547 -2.151) 2.657 27.346 ( -1.461 -0.547 2.151) 2.657 27.595 ( 1.373 0.593 -0.365) 1.539 27.595 ( 1.373 0.593 0.365) 1.539 27.813 ( 0.627 -0.012 -2.545) 2.621 27.813 ( 0.627 -0.012 2.545) 2.621 28.941 ( -7.215 0.014 -0.394) 7.226 28.941 ( -7.215 0.014 0.394) 7.226 29.102 ( 6.685 -0.209 -2.018) 6.986 29.102 ( 6.685 -0.209 2.018) 6.986 ======================= Grid point 299 (91/100) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.773 ( -16.120 -0.257 -3.121) 16.422 4.773 ( -16.120 -0.257 3.121) 16.422 5.420 ( 6.205 -0.746 -2.656) 6.791 5.420 ( 6.205 -0.746 2.656) 6.791 6.895 ( -18.576 8.789 -10.467) 23.062 6.895 ( -18.576 8.789 10.467) 23.062 7.230 ( 8.366 24.965 -6.993) 27.242 7.230 ( 8.366 24.965 6.993) 27.242 8.392 ( -2.933 6.823 -13.998) 15.846 8.392 ( -2.933 6.823 13.998) 15.846 8.795 ( -14.050 6.418 -10.507) 18.681 8.795 ( -14.050 6.418 10.507) 18.681 9.431 ( 7.633 -9.140 -16.337) 20.216 9.431 ( 7.633 -9.140 16.337) 20.216 9.749 ( -5.944 -7.356 -18.649) 20.910 9.749 ( -5.944 -7.356 18.649) 20.910 10.175 ( -2.307 -6.576 -7.971) 10.588 10.175 ( -2.307 -6.576 7.971) 10.588 10.650 ( 6.123 -7.047 -7.527) 11.992 10.650 ( 6.123 -7.047 7.527) 11.992 11.512 ( 6.871 1.845 -6.143) 9.399 11.512 ( 6.871 1.845 6.143) 9.399 11.821 ( 0.125 15.697 -14.071) 21.081 11.821 ( 0.125 15.697 14.071) 21.081 12.432 ( 4.150 13.596 -16.339) 21.657 12.432 ( 4.150 13.596 16.339) 21.657 12.620 ( -14.679 5.054 -5.045) 16.324 12.620 ( -14.679 5.054 5.045) 16.324 13.193 ( -4.977 -1.823 -5.884) 7.919 13.193 ( -4.977 -1.823 5.884) 7.919 13.981 ( 3.014 -17.378 -9.705) 20.131 13.981 ( 3.014 -17.378 9.705) 20.131 14.958 ( -7.775 -8.169 -8.817) 14.314 14.958 ( -7.775 -8.169 8.817) 14.314 15.540 ( -1.793 1.580 -20.988) 21.124 15.540 ( -1.793 1.580 20.988) 21.124 15.921 ( 2.378 -0.767 -4.003) 4.719 15.921 ( 2.378 -0.767 4.003) 4.719 16.646 ( -2.021 0.425 -6.721) 7.031 16.646 ( -2.021 0.425 6.721) 7.031 17.002 ( 9.754 1.230 -11.597) 15.203 17.002 ( 9.754 1.230 11.597) 15.203 17.312 ( 12.579 -3.708 -15.096) 19.997 17.312 ( 12.579 -3.708 15.096) 19.997 17.943 ( -0.544 1.174 -3.153) 3.408 17.943 ( -0.544 1.174 3.153) 3.408 18.418 ( -6.472 0.759 -2.246) 6.892 18.418 ( -6.472 0.759 2.246) 6.892 19.174 ( 8.222 -0.640 -12.221) 14.743 19.174 ( 8.222 -0.640 12.221) 14.743 20.116 ( 3.508 3.473 -2.556) 5.559 20.116 ( 3.508 3.473 2.556) 5.559 20.302 ( 5.263 -1.502 -5.608) 7.836 20.302 ( 5.263 -1.502 5.608) 7.836 21.009 ( 0.910 0.680 -4.104) 4.258 21.009 ( 0.910 0.680 4.104) 4.258 21.251 ( -8.321 0.239 -4.920) 9.670 21.251 ( -8.321 0.239 4.920) 9.670 21.607 ( -6.729 -1.055 -1.654) 7.010 21.607 ( -6.729 -1.055 1.654) 7.010 21.831 ( -0.909 -2.549 -4.690) 5.415 21.831 ( -0.909 -2.549 4.690) 5.415 21.904 ( 0.850 -2.472 -7.911) 8.332 21.904 ( 0.850 -2.472 7.911) 8.332 22.328 ( 2.729 1.142 -2.984) 4.202 22.328 ( 2.729 1.142 2.984) 4.202 22.715 ( -2.858 -0.306 -3.087) 4.217 22.715 ( -2.858 -0.306 3.087) 4.217 23.655 ( 2.167 1.772 -0.551) 2.853 23.655 ( 2.167 1.772 0.551) 2.853 24.275 ( -5.376 -0.521 -9.038) 10.529 24.275 ( -5.376 -0.521 9.038) 10.529 25.078 ( 1.340 -1.200 -8.133) 8.330 25.078 ( 1.340 -1.200 8.133) 8.330 25.354 ( 1.160 0.287 -1.440) 1.871 25.354 ( 1.160 0.287 1.440) 1.871 25.708 ( 2.367 2.113 -5.099) 6.006 25.708 ( 2.367 2.113 5.099) 6.006 26.029 ( -2.872 -2.420 -6.969) 7.916 26.029 ( -2.872 -2.420 6.969) 7.916 26.216 ( -1.065 0.535 -1.887) 2.232 26.216 ( -1.065 0.535 1.887) 2.232 26.597 ( 3.091 -0.211 -0.576) 3.152 26.597 ( 3.091 -0.211 0.576) 3.152 27.120 ( -0.467 -0.561 -0.385) 0.826 27.120 ( -0.467 -0.561 0.385) 0.826 27.335 ( -0.549 -0.815 -3.447) 3.585 27.335 ( -0.549 -0.815 3.447) 3.585 27.607 ( 0.613 0.621 -0.321) 0.929 27.607 ( 0.613 0.621 0.321) 0.929 27.839 ( 2.218 0.222 -3.209) 3.907 27.839 ( 2.218 0.222 3.209) 3.907 28.811 ( -6.478 -0.132 -0.326) 6.488 28.811 ( -6.478 -0.132 0.326) 6.488 29.238 ( 7.138 -0.611 -3.126) 7.817 29.238 ( 7.138 -0.611 3.126) 7.817 ======================= Grid point 301 (92/100) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.472 ( -16.554 -0.057 -0.782) 16.573 4.472 ( -16.554 -0.057 0.782) 16.573 5.517 ( 3.271 -0.868 -3.205) 4.661 5.517 ( 3.271 -0.868 3.205) 4.661 6.393 ( -14.842 26.603 -13.006) 33.123 6.393 ( -14.842 26.603 13.006) 33.123 6.870 ( -19.994 27.130 -20.163) 39.273 6.870 ( -19.994 27.130 20.163) 39.273 7.927 ( -19.357 5.546 -6.268) 21.089 7.927 ( -19.357 5.546 6.268) 21.089 8.900 ( 12.234 0.409 -17.035) 20.977 8.900 ( 12.234 0.409 17.035) 20.977 9.506 ( -13.029 -12.025 -6.170) 18.772 9.506 ( -13.029 -12.025 6.170) 18.772 9.792 ( 7.091 2.317 -34.447) 35.246 9.792 ( 7.091 2.317 34.447) 35.246 10.273 ( 6.340 -4.214 -13.386) 15.399 10.273 ( 6.340 -4.214 13.386) 15.399 10.748 ( 0.114 0.208 -8.041) 8.045 10.748 ( 0.114 0.208 8.041) 8.045 11.205 ( -11.987 28.724 -34.102) 46.170 11.205 ( -11.987 28.724 34.102) 46.170 11.712 ( 0.669 10.301 -14.909) 18.134 11.712 ( 0.669 10.301 14.909) 18.134 12.151 ( -18.624 11.994 -10.501) 24.515 12.151 ( -18.624 11.994 10.501) 24.515 12.585 ( 9.321 -0.127 -5.018) 10.586 12.585 ( 9.321 -0.127 5.018) 10.586 13.312 ( 8.844 -11.732 -6.468) 16.053 13.312 ( 8.844 -11.732 6.468) 16.053 14.150 ( -5.430 -16.716 -4.754) 18.208 14.150 ( -5.430 -16.716 4.754) 18.208 14.950 ( -2.553 -9.601 -8.356) 12.982 14.950 ( -2.553 -9.601 8.356) 12.982 15.528 ( 0.536 -0.707 -16.473) 16.497 15.528 ( 0.536 -0.707 16.473) 16.497 16.018 ( 6.217 -2.345 -8.611) 10.877 16.018 ( 6.217 -2.345 8.611) 10.877 16.633 ( -2.573 -6.378 -5.342) 8.708 16.633 ( -2.573 -6.378 5.342) 8.708 17.196 ( 12.362 2.134 -13.027) 18.085 17.196 ( 12.362 2.134 13.027) 18.085 17.564 ( 10.755 -1.151 -15.812) 19.158 17.564 ( 10.755 -1.151 15.812) 19.158 17.892 ( -1.791 2.809 -5.268) 6.233 17.892 ( -1.791 2.809 5.268) 6.233 18.267 ( -8.198 1.443 -4.669) 9.544 18.267 ( -8.198 1.443 4.669) 9.544 19.372 ( 11.734 -1.441 -22.266) 25.210 19.372 ( 11.734 -1.441 22.266) 25.210 20.137 ( 1.603 3.088 -1.767) 3.902 20.137 ( 1.603 3.088 1.767) 3.902 20.409 ( 4.578 -0.857 -4.822) 6.704 20.409 ( 4.578 -0.857 4.822) 6.704 21.024 ( 0.236 0.033 -7.138) 7.142 21.024 ( 0.236 0.033 7.138) 7.142 21.119 ( -4.834 -1.572 -2.079) 5.492 21.119 ( -4.834 -1.572 2.079) 5.492 21.485 ( -7.621 -1.836 -2.172) 8.134 21.485 ( -7.621 -1.836 2.172) 8.134 21.813 ( -1.827 -0.841 -4.327) 4.771 21.813 ( -1.827 -0.841 4.327) 4.771 21.994 ( 2.927 -5.390 -9.529) 11.333 21.994 ( 2.927 -5.390 9.529) 11.333 22.358 ( 1.876 1.097 -5.235) 5.668 22.358 ( 1.876 1.097 5.235) 5.668 22.659 ( -3.279 0.031 -6.537) 7.314 22.659 ( -3.279 0.031 6.537) 7.314 23.660 ( 1.300 3.630 -0.665) 3.912 23.660 ( 1.300 3.630 0.665) 3.912 24.177 ( -5.655 -0.997 -12.237) 13.517 24.177 ( -5.655 -0.997 12.237) 13.517 25.115 ( 1.324 -0.825 -11.528) 11.633 25.115 ( 1.324 -0.825 11.528) 11.633 25.387 ( 2.268 -0.317 -2.469) 3.367 25.387 ( 2.268 -0.317 2.469) 3.367 25.718 ( 1.322 2.268 -9.295) 9.659 25.718 ( 1.322 2.268 9.295) 9.659 26.008 ( -2.636 -3.164 -5.692) 7.025 26.008 ( -2.636 -3.164 5.692) 7.025 26.197 ( -0.465 0.317 -2.919) 2.973 26.197 ( -0.465 0.317 2.919) 2.973 26.657 ( 2.957 -0.320 -1.497) 3.330 26.657 ( 2.957 -0.320 1.497) 3.330 27.121 ( -0.466 -1.378 -0.381) 1.503 27.121 ( -0.466 -1.378 0.381) 1.503 27.340 ( 0.190 -0.533 -4.648) 4.682 27.340 ( 0.190 -0.533 4.648) 4.682 27.609 ( 0.139 0.050 -1.293) 1.301 27.609 ( 0.139 0.050 1.293) 1.301 27.881 ( 2.696 0.646 -3.532) 4.490 27.881 ( 2.696 0.646 3.532) 4.490 28.714 ( -4.256 -0.246 -1.212) 4.432 28.714 ( -4.256 -0.246 1.212) 4.432 29.365 ( 5.584 -1.108 -3.885) 6.893 29.365 ( 5.584 -1.108 3.885) 6.893 ======================= Grid point 303 (93/100) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.191 ( -12.438 1.615 -4.010) 13.167 4.191 ( -12.438 1.615 4.010) 13.167 5.541 ( -1.463 1.863 -6.680) 7.088 5.541 ( -1.463 1.863 6.680) 7.088 5.869 ( -6.895 32.208 -21.190) 39.165 5.869 ( -6.895 32.208 21.190) 39.165 6.127 ( -21.788 33.170 -28.825) 49.050 6.127 ( -21.788 33.170 28.825) 49.050 7.678 ( -7.465 -0.160 -20.174) 21.511 7.678 ( -7.465 -0.160 20.174) 21.511 9.069 ( 7.682 3.330 -17.149) 19.084 9.069 ( 7.682 3.330 17.149) 19.084 9.352 ( -13.850 -11.653 -6.955) 19.391 9.352 ( -13.850 -11.653 6.955) 19.391 9.808 ( 2.834 16.046 -42.007) 45.057 9.808 ( 2.834 16.046 42.007) 45.057 10.375 ( 3.337 8.178 -10.378) 13.627 10.375 ( 3.337 8.178 10.378) 13.627 10.580 ( -2.135 25.141 -13.054) 28.408 10.580 ( -2.135 25.141 13.054) 28.408 10.926 ( -0.915 -1.572 -12.876) 13.004 10.926 ( -0.915 -1.572 12.876) 13.004 11.578 ( -2.890 8.916 -31.367) 32.738 11.578 ( -2.890 8.916 31.367) 32.738 11.758 ( -10.026 9.348 -15.085) 20.383 11.758 ( -10.026 9.348 15.085) 20.383 12.734 ( 5.296 -2.375 -10.114) 11.661 12.734 ( 5.296 -2.375 10.114) 11.661 13.668 ( 12.213 -15.515 -5.559) 20.513 13.668 ( 12.213 -15.515 5.559) 20.513 14.129 ( -11.610 -12.918 -3.739) 17.766 14.129 ( -11.610 -12.918 3.739) 17.766 15.031 ( 0.315 -8.233 -7.411) 11.082 15.031 ( 0.315 -8.233 7.411) 11.082 15.563 ( 1.243 -2.533 -16.452) 16.692 15.563 ( 1.243 -2.533 16.452) 16.692 16.157 ( 5.535 -1.399 -14.134) 15.243 16.157 ( 5.535 -1.399 14.134) 15.243 16.685 ( -1.493 -11.000 -5.702) 12.480 16.685 ( -1.493 -11.000 5.702) 12.480 17.381 ( 10.466 3.241 -13.215) 17.166 17.381 ( 10.466 3.241 13.215) 17.166 17.644 ( -1.918 2.883 -9.573) 10.180 17.644 ( -1.918 2.883 9.573) 10.180 17.901 ( 5.141 -0.084 -9.467) 10.773 17.901 ( 5.141 -0.084 9.467) 10.773 18.112 ( -6.984 0.883 -7.242) 10.100 18.112 ( -6.984 0.883 7.242) 10.100 19.606 ( 11.054 -2.023 -30.612) 32.609 19.606 ( 11.054 -2.023 30.612) 32.609 20.092 ( -2.846 3.461 -7.895) 9.078 20.092 ( -2.846 3.461 7.895) 9.078 20.475 ( 1.406 -1.610 -7.273) 7.580 20.475 ( 1.406 -1.610 7.273) 7.580 21.014 ( -0.163 -0.990 -1.699) 1.973 21.014 ( -0.163 -0.990 1.699) 1.973 21.132 ( 1.645 -2.507 -2.960) 4.213 21.132 ( 1.645 -2.507 2.960) 4.213 21.381 ( -6.014 -2.988 -1.478) 6.876 21.381 ( -6.014 -2.988 1.478) 6.876 21.791 ( -1.120 -0.225 -6.880) 6.974 21.791 ( -1.120 -0.225 6.880) 6.974 22.097 ( 1.887 -5.766 -8.488) 10.434 22.097 ( 1.887 -5.766 8.488) 10.434 22.378 ( 1.222 0.495 -5.257) 5.420 22.378 ( 1.222 0.495 5.257) 5.420 22.600 ( -2.524 0.612 -8.444) 8.834 22.600 ( -2.524 0.612 8.444) 8.834 23.629 ( 0.342 5.328 -1.104) 5.452 23.629 ( 0.342 5.328 1.104) 5.452 24.103 ( -3.531 -1.452 -15.107) 15.582 24.103 ( -3.531 -1.452 15.107) 15.582 25.139 ( 0.645 -0.291 -11.385) 11.407 25.139 ( 0.645 -0.291 11.385) 11.407 25.431 ( 1.704 -0.451 -3.217) 3.669 25.431 ( 1.704 -0.451 3.217) 3.669 25.725 ( 1.437 0.647 -15.278) 15.359 25.725 ( 1.437 0.647 15.278) 15.359 25.990 ( -2.446 -2.245 -2.526) 4.172 25.990 ( -2.446 -2.245 2.526) 4.172 26.192 ( -0.008 -0.103 -3.739) 3.741 26.192 ( -0.008 -0.103 3.739) 3.741 26.705 ( 1.741 -0.401 -2.596) 3.151 26.705 ( 1.741 -0.401 2.596) 3.151 27.134 ( -0.145 -2.310 -0.499) 2.368 27.134 ( -0.145 -2.310 0.499) 2.368 27.347 ( 0.236 -0.023 -5.305) 5.310 27.347 ( 0.236 -0.023 5.305) 5.310 27.613 ( 0.069 -0.546 -2.042) 2.115 27.613 ( 0.069 -0.546 2.042) 2.115 27.916 ( 1.774 0.976 -3.644) 4.169 27.916 ( 1.774 0.976 3.644) 4.169 28.660 ( -2.028 -0.291 -2.103) 2.937 28.660 ( -2.028 -0.291 2.103) 2.937 29.459 ( 3.095 -1.492 -4.396) 5.580 29.459 ( 3.095 -1.492 4.396) 5.580 ======================= Grid point 305 (94/100) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.034 ( 0.000 3.997 -9.830) 10.612 4.034 ( 0.000 3.997 9.830) 10.612 5.382 ( 0.000 17.673 -35.926) 40.037 5.382 ( 0.000 17.673 35.926) 40.037 5.462 ( 0.000 45.197 -47.034) 65.230 5.462 ( 0.000 45.197 47.034) 65.230 5.684 ( 0.000 6.837 -10.636) 12.644 5.684 ( 0.000 6.837 10.636) 12.644 7.620 ( -0.000 -1.967 -36.864) 36.917 7.620 ( -0.000 -1.967 36.864) 36.917 9.076 ( 0.000 11.649 -12.340) 16.970 9.076 ( 0.000 11.649 12.340) 16.970 9.326 ( -0.000 -10.844 -5.717) 12.258 9.326 ( -0.000 -10.844 5.717) 12.258 9.602 ( 0.000 23.066 -44.035) 49.711 9.602 ( 0.000 23.066 44.035) 49.711 10.235 ( 0.000 33.725 -22.955) 40.796 10.235 ( 0.000 33.725 22.955) 40.796 10.335 ( 0.000 3.220 -7.595) 8.249 10.335 ( 0.000 3.220 7.595) 8.249 11.031 ( -0.000 -11.854 -11.553) 16.553 11.031 ( -0.000 -11.854 11.553) 16.553 11.489 ( 0.000 3.556 -44.384) 44.526 11.489 ( 0.000 3.556 44.384) 44.526 11.591 ( 0.000 6.550 -14.216) 15.652 11.591 ( 0.000 6.550 14.216) 15.652 12.821 ( -0.000 -3.662 -13.150) 13.650 12.821 ( -0.000 -3.662 13.150) 13.650 13.935 ( -0.000 -4.509 -5.668) 7.242 13.935 ( -0.000 -4.509 5.668) 7.242 14.122 ( -0.000 -18.873 -15.223) 24.247 14.122 ( -0.000 -18.873 15.223) 24.247 15.104 ( -0.000 -5.305 -8.160) 9.733 15.104 ( -0.000 -5.305 8.160) 9.733 15.608 ( -0.000 -2.887 -19.244) 19.459 15.608 ( -0.000 -2.887 19.244) 19.459 16.216 ( 0.000 0.342 -15.786) 15.790 16.216 ( 0.000 0.342 15.786) 15.790 16.783 ( -0.000 -10.084 -8.505) 13.192 16.783 ( -0.000 -10.084 8.505) 13.192 17.491 ( 0.000 2.319 -12.987) 13.192 17.491 ( 0.000 2.319 12.987) 13.192 17.540 ( 0.000 2.912 -10.114) 10.525 17.540 ( 0.000 2.912 10.114) 10.525 17.987 ( 0.000 1.448 -3.044) 3.371 17.987 ( 0.000 1.448 3.044) 3.371 18.019 ( -0.000 -2.192 -16.665) 16.808 18.019 ( -0.000 -2.192 16.665) 16.808 19.757 ( -0.000 -2.578 -35.978) 36.070 19.757 ( -0.000 -2.578 35.978) 36.070 20.005 ( 0.000 3.849 -9.031) 9.817 20.005 ( 0.000 3.849 9.031) 9.817 20.510 ( -0.000 -3.230 -7.629) 8.285 20.510 ( -0.000 -3.230 7.629) 8.285 21.029 ( -0.000 -0.699 -1.839) 1.967 21.029 ( -0.000 -0.699 1.839) 1.967 21.177 ( -0.000 -1.899 -1.518) 2.431 21.177 ( -0.000 -1.899 1.518) 2.431 21.354 ( -0.000 -4.060 -1.155) 4.221 21.354 ( -0.000 -4.060 1.155) 4.221 21.780 ( 0.000 0.241 -7.628) 7.632 21.780 ( 0.000 0.241 7.628) 7.632 22.171 ( -0.000 -5.057 -7.101) 8.718 22.171 ( -0.000 -5.057 7.101) 8.718 22.390 ( -0.000 -0.231 -3.717) 3.724 22.390 ( -0.000 -0.231 3.717) 3.724 22.566 ( 0.000 0.899 -8.965) 9.009 22.566 ( 0.000 0.899 8.965) 9.009 23.573 ( 0.000 5.775 -1.706) 6.022 23.573 ( 0.000 5.775 1.706) 6.022 24.085 ( -0.000 -1.554 -15.987) 16.062 24.085 ( -0.000 -1.554 15.987) 16.062 25.146 ( -0.000 -0.159 -10.221) 10.222 25.146 ( -0.000 -0.159 10.221) 10.222 25.448 ( 0.000 0.015 -2.679) 2.679 25.448 ( 0.000 0.015 2.679) 2.679 25.749 ( -0.000 -0.865 -20.495) 20.514 25.749 ( -0.000 -0.865 20.495) 20.514 25.976 ( -0.000 -1.061 -1.359) 1.724 25.976 ( -0.000 -1.061 1.359) 1.724 26.196 ( -0.000 -0.476 -3.836) 3.866 26.196 ( -0.000 -0.476 3.836) 3.866 26.726 ( -0.000 -0.412 -2.474) 2.508 26.726 ( -0.000 -0.412 2.474) 2.508 27.159 ( -0.000 -2.699 -0.562) 2.757 27.159 ( -0.000 -2.699 0.562) 2.757 27.348 ( 0.000 0.207 -5.033) 5.038 27.348 ( 0.000 0.207 5.033) 5.038 27.621 ( -0.000 -0.745 -2.235) 2.356 27.621 ( -0.000 -0.745 2.235) 2.356 27.922 ( 0.000 1.091 -3.362) 3.535 27.922 ( 0.000 1.091 3.362) 3.535 28.644 ( -0.000 -0.314 -2.682) 2.701 28.644 ( -0.000 -0.314 2.682) 2.701 29.504 ( -0.000 -1.571 -4.574) 4.836 29.504 ( -0.000 -1.571 4.574) 4.836 ======================= Grid point 315 (95/100) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.771 ( -16.148 0.000 -3.569) 16.538 4.771 ( -16.148 0.000 3.569) 16.538 5.412 ( 6.126 -0.000 -1.804) 6.386 5.412 ( 6.126 -0.000 1.804) 6.386 6.922 ( -13.095 0.000 -3.545) 13.567 6.922 ( -13.095 0.000 3.545) 13.567 7.679 ( 17.251 -0.000 -2.765) 17.471 7.679 ( 17.251 -0.000 2.765) 17.471 8.331 ( -7.046 0.000 -2.192) 7.379 8.331 ( -7.046 0.000 2.192) 7.379 8.923 ( -19.315 0.000 -15.010) 24.462 8.923 ( -19.315 0.000 15.010) 24.462 9.353 ( -1.567 0.000 -17.966) 18.034 9.353 ( -1.567 0.000 17.966) 18.034 9.597 ( -2.379 0.000 -7.130) 7.517 9.597 ( -2.379 0.000 7.130) 7.517 10.104 ( 1.243 -0.000 -11.093) 11.163 10.104 ( 1.243 -0.000 11.093) 11.163 10.583 ( 11.964 -0.000 -8.012) 14.399 10.583 ( 11.964 -0.000 8.012) 14.399 11.503 ( 13.336 -0.000 -4.578) 14.100 11.503 ( 13.336 -0.000 4.578) 14.100 11.993 ( 8.388 -0.000 -7.469) 11.231 11.993 ( 8.388 -0.000 7.469) 11.231 12.540 ( -6.996 0.000 -9.384) 11.705 12.540 ( -6.996 0.000 9.384) 11.705 12.885 ( -6.267 0.000 -0.064) 6.267 12.885 ( -6.267 0.000 0.064) 6.267 13.047 ( -13.247 0.000 -2.902) 13.561 13.047 ( -13.247 0.000 2.902) 13.561 13.775 ( 1.661 -0.000 -10.667) 10.796 13.775 ( 1.661 -0.000 10.667) 10.796 14.866 ( -7.735 0.000 -7.028) 10.451 14.866 ( -7.735 0.000 7.028) 10.451 15.560 ( -3.472 0.000 -23.411) 23.667 15.560 ( -3.472 0.000 23.411) 23.667 15.912 ( 1.915 -0.000 -3.922) 4.365 15.912 ( 1.915 -0.000 3.922) 4.365 16.658 ( -6.160 0.000 -1.753) 6.405 16.658 ( -6.160 0.000 1.753) 6.405 17.007 ( 8.565 -0.000 -8.524) 12.084 17.007 ( 8.565 -0.000 8.524) 12.084 17.273 ( 16.198 -0.000 -17.204) 23.630 17.273 ( 16.198 -0.000 17.204) 23.630 17.955 ( 0.612 -0.000 -2.589) 2.660 17.955 ( 0.612 -0.000 2.589) 2.660 18.426 ( -6.037 0.000 -1.227) 6.161 18.426 ( -6.037 0.000 1.227) 6.161 19.167 ( 7.761 -0.000 -11.229) 13.650 19.167 ( 7.761 -0.000 11.229) 13.650 20.163 ( 2.646 -0.000 -1.537) 3.060 20.163 ( 2.646 -0.000 1.537) 3.060 20.280 ( 6.142 -0.000 -8.990) 10.888 20.280 ( 6.142 -0.000 8.990) 10.888 21.018 ( 0.755 -0.000 -3.691) 3.767 21.018 ( 0.755 -0.000 3.691) 3.767 21.255 ( -9.190 0.000 -4.645) 10.297 21.255 ( -9.190 0.000 4.645) 10.297 21.597 ( -6.801 0.000 -2.079) 7.111 21.597 ( -6.801 0.000 2.079) 7.111 21.792 ( 1.055 -0.000 -5.573) 5.672 21.792 ( 1.055 -0.000 5.573) 5.672 21.884 ( -1.366 0.000 -5.872) 6.028 21.884 ( -1.366 0.000 5.872) 6.028 22.341 ( 2.628 -0.000 -2.345) 3.522 22.341 ( 2.628 -0.000 2.345) 3.522 22.711 ( -2.761 0.000 -2.584) 3.782 22.711 ( -2.761 0.000 2.584) 3.782 23.674 ( 2.677 -0.000 -0.444) 2.714 23.674 ( 2.677 -0.000 0.444) 2.714 24.269 ( -5.497 0.000 -9.429) 10.914 24.269 ( -5.497 0.000 9.429) 10.914 25.065 ( 1.600 -0.000 -7.873) 8.034 25.065 ( 1.600 -0.000 7.873) 8.034 25.358 ( 1.002 -0.000 -1.741) 2.008 25.358 ( 1.002 -0.000 1.741) 2.008 25.732 ( 2.428 -0.000 -5.202) 5.740 25.732 ( 2.428 -0.000 5.202) 5.740 26.002 ( -3.172 0.000 -6.401) 7.144 26.002 ( -3.172 0.000 6.401) 7.144 26.222 ( -1.264 0.000 -0.709) 1.449 26.222 ( -1.264 0.000 0.709) 1.449 26.595 ( 3.046 -0.000 -0.593) 3.103 26.595 ( 3.046 -0.000 0.593) 3.103 27.114 ( -0.712 0.000 -0.290) 0.769 27.114 ( -0.712 0.000 0.290) 0.769 27.326 ( -0.310 0.000 -3.734) 3.747 27.326 ( -0.310 0.000 3.734) 3.747 27.613 ( 0.213 -0.000 -0.519) 0.562 27.613 ( 0.213 -0.000 0.519) 0.562 27.841 ( 2.430 -0.000 -3.704) 4.429 27.841 ( 2.430 -0.000 3.704) 4.429 28.809 ( -6.541 0.000 -0.297) 6.548 28.809 ( -6.541 0.000 0.297) 6.548 29.232 ( 7.004 -0.000 -3.181) 7.693 29.232 ( 7.004 -0.000 3.181) 7.693 ======================= Grid point 319 (96/100) ======================= q-point: (-0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.470 ( -16.061 -0.054 -1.717) 16.153 4.470 ( -16.061 -0.054 1.717) 16.153 5.502 ( 3.440 -0.428 -1.621) 3.827 5.502 ( 3.440 -0.428 1.621) 3.827 6.665 ( -12.331 4.093 -14.731) 19.642 6.665 ( -12.331 4.093 14.731) 19.642 7.521 ( -21.208 29.071 -12.850) 38.210 7.521 ( -21.208 29.071 12.850) 38.210 8.047 ( -11.867 1.174 -5.673) 13.205 8.047 ( -11.867 1.174 5.673) 13.205 8.801 ( 4.160 -6.594 -17.044) 18.743 8.801 ( 4.160 -6.594 17.044) 18.743 9.291 ( -14.072 -7.807 -5.080) 16.875 9.291 ( -14.072 -7.807 5.080) 16.875 9.742 ( 12.457 -3.625 -22.734) 26.175 9.742 ( 12.457 -3.625 22.734) 26.175 10.176 ( 4.770 -2.980 -19.306) 20.109 10.176 ( 4.770 -2.980 19.306) 20.109 10.782 ( 10.538 1.854 -9.782) 14.497 10.782 ( 10.538 1.854 9.782) 14.497 11.605 ( -1.791 8.146 -10.730) 13.590 11.605 ( -1.791 8.146 10.730) 13.590 12.044 ( 3.822 17.504 -6.097) 18.925 12.044 ( 3.822 17.504 6.097) 18.925 12.315 ( -12.679 0.892 -8.088) 15.066 12.315 ( -12.679 0.892 8.088) 15.066 12.598 ( -3.520 4.665 -17.538) 18.486 12.598 ( -3.520 4.665 17.538) 18.486 13.146 ( 4.521 -6.165 -11.898) 14.142 13.146 ( 4.521 -6.165 11.898) 14.142 13.808 ( -5.060 -12.700 -6.563) 15.165 13.808 ( -5.060 -12.700 6.563) 15.165 14.786 ( -3.104 -4.964 -5.863) 8.285 14.786 ( -3.104 -4.964 5.863) 8.285 15.521 ( -0.861 -0.103 -19.180) 19.200 15.521 ( -0.861 -0.103 19.180) 19.200 15.977 ( 4.794 -1.206 -6.170) 7.906 15.977 ( 4.794 -1.206 6.170) 7.906 16.540 ( -6.976 -2.548 -4.117) 8.492 16.540 ( -6.976 -2.548 4.117) 8.492 17.215 ( 12.818 0.112 -13.135) 18.353 17.215 ( 12.818 0.112 13.135) 18.353 17.556 ( 13.430 0.052 -17.405) 21.985 17.556 ( 13.430 0.052 17.405) 21.985 17.939 ( -1.552 1.416 -4.712) 5.159 17.939 ( -1.552 1.416 4.712) 5.159 18.292 ( -7.821 0.764 -3.464) 8.588 18.292 ( -7.821 0.764 3.464) 8.588 19.349 ( 11.294 -0.697 -21.192) 24.024 19.349 ( 11.294 -0.697 21.192) 24.024 20.191 ( 1.107 1.736 -2.489) 3.231 20.191 ( 1.107 1.736 2.489) 3.231 20.397 ( 5.485 -0.369 -8.794) 10.371 20.397 ( 5.485 -0.369 8.794) 10.371 21.027 ( -0.788 0.125 -6.891) 6.937 21.027 ( -0.788 0.125 6.891) 6.937 21.099 ( -5.744 -0.441 -1.431) 5.936 21.099 ( -5.744 -0.441 1.431) 5.936 21.456 ( -8.208 -0.809 -0.950) 8.302 21.456 ( -8.208 -0.809 0.950) 8.302 21.795 ( -1.202 -0.645 -3.894) 4.126 21.795 ( -1.202 -0.645 3.894) 4.126 21.909 ( 2.178 -2.432 -12.184) 12.614 21.909 ( 2.178 -2.432 12.184) 12.614 22.376 ( 1.591 0.516 -5.513) 5.761 22.376 ( 1.591 0.516 5.513) 5.761 22.658 ( -2.880 -0.036 -6.184) 6.822 22.658 ( -2.880 -0.036 6.184) 6.822 23.713 ( 2.208 1.386 -0.759) 2.715 23.713 ( 2.208 1.386 0.759) 2.715 24.163 ( -5.845 -0.362 -12.463) 13.771 24.163 ( -5.845 -0.362 12.463) 13.771 25.101 ( 1.874 -0.411 -11.943) 12.096 25.101 ( 1.874 -0.411 11.943) 12.096 25.386 ( 2.076 0.113 -2.752) 3.449 25.386 ( 2.076 0.113 2.752) 3.449 25.751 ( 0.103 0.862 -10.790) 10.825 25.751 ( 0.103 0.862 10.790) 10.825 25.960 ( -1.927 -1.290 -3.222) 3.969 25.960 ( -1.927 -1.290 3.222) 3.969 26.202 ( -0.783 0.118 -1.241) 1.472 26.202 ( -0.783 0.118 1.241) 1.472 26.652 ( 2.880 -0.177 -1.704) 3.351 26.652 ( 2.880 -0.177 1.704) 3.351 27.100 ( -1.023 -0.565 -0.166) 1.180 27.100 ( -1.023 -0.565 0.166) 1.180 27.333 ( 0.734 -0.161 -5.465) 5.516 27.333 ( 0.734 -0.161 5.465) 5.516 27.609 ( -0.476 -0.034 -1.501) 1.575 27.609 ( -0.476 -0.034 1.501) 1.575 27.892 ( 2.941 0.297 -4.249) 5.176 27.892 ( 2.941 0.297 4.249) 5.176 28.710 ( -4.270 -0.102 -0.921) 4.370 28.710 ( -4.270 -0.102 0.921) 4.370 29.349 ( 5.373 -0.445 -3.960) 6.689 29.349 ( 5.373 -0.445 3.960) 6.689 ======================= Grid point 321 (97/100) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.212 ( -11.050 0.573 -1.268) 11.137 4.212 ( -11.050 0.573 1.268) 11.137 5.544 ( 0.694 -0.358 -2.792) 2.899 5.544 ( 0.694 -0.358 2.792) 2.899 6.374 ( -8.946 16.563 -23.861) 30.393 6.374 ( -8.946 16.563 23.861) 30.393 6.789 ( -20.165 25.497 -17.747) 37.036 6.789 ( -20.165 25.497 17.747) 37.036 7.832 ( -2.210 17.441 -13.817) 22.360 7.832 ( -2.210 17.441 13.817) 22.360 8.960 ( -0.812 -11.524 -7.177) 13.600 8.960 ( -0.812 -11.524 7.177) 13.600 9.134 ( -9.609 -11.067 -7.490) 16.460 9.134 ( -9.609 -11.067 7.490) 16.460 9.952 ( 7.169 0.921 -26.393) 27.365 9.952 ( 7.169 0.921 26.393) 27.365 10.337 ( 5.510 -8.709 -16.226) 19.222 10.337 ( 5.510 -8.709 16.226) 19.222 10.904 ( 9.251 11.102 -8.556) 16.794 10.904 ( 9.251 11.102 8.556) 16.794 11.304 ( -8.043 24.309 -20.520) 32.813 11.304 ( -8.043 24.309 20.520) 32.813 11.887 ( -0.099 18.446 -23.284) 29.705 11.887 ( -0.099 18.446 23.284) 29.705 11.990 ( -10.420 15.915 -7.116) 20.310 11.990 ( -10.420 15.915 7.116) 20.310 12.662 ( 2.502 -5.665 -11.164) 12.766 12.662 ( 2.502 -5.665 11.164) 12.766 13.356 ( 9.589 -13.792 -12.416) 20.889 13.356 ( 9.589 -13.792 12.416) 20.889 13.823 ( -10.321 -16.643 -2.054) 19.691 13.823 ( -10.321 -16.643 2.054) 19.691 14.841 ( 0.362 -8.831 -6.877) 11.198 14.841 ( 0.362 -8.831 6.877) 11.198 15.524 ( 0.197 -1.301 -17.171) 17.222 15.524 ( 0.197 -1.301 17.171) 17.222 16.105 ( 5.988 -2.873 -11.305) 13.111 16.105 ( 5.988 -2.873 11.305) 13.111 16.480 ( -4.977 -8.147 -3.621) 10.210 16.480 ( -4.977 -8.147 3.621) 10.210 17.435 ( 11.309 1.610 -14.365) 18.353 17.435 ( 11.309 1.610 14.365) 18.353 17.703 ( 1.641 2.245 -12.382) 12.690 17.703 ( 1.641 2.245 12.382) 12.690 17.913 ( 2.777 1.418 -9.317) 9.825 17.913 ( 2.777 1.418 9.317) 9.825 18.139 ( -7.259 1.498 -5.490) 9.224 18.139 ( -7.259 1.498 5.490) 9.224 19.568 ( 10.467 -1.545 -30.107) 31.912 19.568 ( 10.467 -1.545 30.107) 31.912 20.156 ( -2.646 2.477 -8.807) 9.523 20.156 ( -2.646 2.477 8.807) 9.523 20.463 ( 1.658 0.192 -8.443) 8.606 20.463 ( 1.658 0.192 8.443) 8.606 20.989 ( -0.946 -1.275 -0.622) 1.706 20.989 ( -0.946 -1.275 0.622) 1.706 21.091 ( 1.029 -1.317 -3.455) 3.838 21.091 ( 1.029 -1.317 3.455) 3.838 21.330 ( -6.516 -1.795 -1.658) 6.959 21.330 ( -6.516 -1.795 1.658) 6.959 21.781 ( -0.878 -0.596 -6.895) 6.976 21.781 ( -0.878 -0.596 6.895) 6.976 21.983 ( 1.580 -4.789 -11.149) 12.236 21.983 ( 1.580 -4.789 11.149) 12.236 22.392 ( 0.841 0.664 -6.970) 7.052 22.392 ( 0.841 0.664 6.970) 7.052 22.610 ( -2.017 0.378 -8.409) 8.656 22.610 ( -2.017 0.378 8.409) 8.656 23.721 ( 1.188 3.397 -0.830) 3.693 23.721 ( 1.188 3.397 0.830) 3.693 24.078 ( -3.782 -0.900 -15.635) 16.111 24.078 ( -3.782 -0.900 15.635) 16.111 25.133 ( 1.116 -0.221 -13.067) 13.117 25.133 ( 1.116 -0.221 13.067) 13.117 25.426 ( 1.961 -0.098 -4.193) 4.630 25.426 ( 1.961 -0.098 4.193) 4.630 25.732 ( -0.969 0.072 -15.819) 15.849 25.732 ( -0.969 0.072 15.819) 15.849 25.952 ( -0.749 -1.289 -1.791) 2.330 25.952 ( -0.749 -1.289 1.791) 2.330 26.191 ( -0.305 -0.014 -2.373) 2.392 26.191 ( -0.305 -0.014 2.373) 2.392 26.697 ( 1.687 -0.329 -3.484) 3.885 26.697 ( 1.687 -0.329 3.484) 3.885 27.093 ( -0.678 -1.483 -0.314) 1.661 27.093 ( -0.678 -1.483 0.314) 1.661 27.348 ( 0.716 0.078 -6.542) 6.582 27.348 ( 0.716 0.078 6.542) 6.582 27.602 ( -0.386 -0.452 -2.183) 2.263 27.602 ( -0.386 -0.452 2.183) 2.263 27.933 ( 1.912 0.654 -4.514) 4.945 27.933 ( 1.912 0.654 4.514) 4.945 28.655 ( -2.010 -0.174 -1.523) 2.528 28.655 ( -2.010 -0.174 1.523) 2.528 29.433 ( 2.934 -0.984 -4.457) 5.426 29.433 ( 2.934 -0.984 4.457) 5.426 ======================= Grid point 323 (98/100) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.091 ( 0.000 1.765 -3.922) 4.301 4.091 ( 0.000 1.765 3.922) 4.301 5.540 ( 0.000 1.332 -6.628) 6.761 5.540 ( 0.000 1.332 6.628) 6.761 6.052 ( 0.000 23.969 -37.569) 44.564 6.052 ( 0.000 23.969 37.569) 44.564 6.325 ( 0.000 34.777 -39.423) 52.570 6.325 ( 0.000 34.777 39.423) 52.570 7.659 ( 0.000 9.575 -20.006) 22.180 7.659 ( 0.000 9.575 20.006) 22.180 9.046 ( -0.000 -15.019 -6.153) 16.230 9.046 ( -0.000 -15.019 6.153) 16.230 9.156 ( -0.000 -3.168 -18.238) 18.511 9.156 ( -0.000 -3.168 18.238) 18.511 9.973 ( 0.000 7.794 -33.247) 34.148 9.973 ( 0.000 7.794 33.247) 34.148 10.463 ( -0.000 -1.395 -14.221) 14.290 10.463 ( -0.000 -1.395 14.221) 14.290 10.876 ( 0.000 23.003 -14.320) 27.096 10.876 ( 0.000 23.003 14.320) 27.096 10.941 ( 0.000 16.387 -25.109) 29.983 10.941 ( 0.000 16.387 25.109) 29.983 11.688 ( 0.000 19.269 -35.258) 40.180 11.688 ( 0.000 19.269 35.258) 40.180 11.745 ( 0.000 8.460 -14.928) 17.158 11.745 ( 0.000 8.460 14.928) 17.158 12.737 ( -0.000 -4.720 -13.018) 13.847 12.737 ( -0.000 -4.720 13.018) 13.847 13.713 ( -0.000 -21.180 -14.627) 25.740 13.713 ( -0.000 -21.180 14.627) 25.740 13.789 ( -0.000 -10.259 -4.380) 11.155 13.789 ( -0.000 -10.259 4.380) 11.155 14.943 ( -0.000 -9.761 -7.108) 12.074 14.943 ( -0.000 -9.761 7.108) 12.074 15.547 ( -0.000 -2.474 -16.674) 16.857 15.547 ( -0.000 -2.474 16.674) 16.857 16.195 ( -0.000 -2.130 -15.907) 16.049 16.195 ( -0.000 -2.130 15.907) 16.049 16.541 ( -0.000 -12.474 -5.232) 13.527 16.541 ( -0.000 -12.474 5.232) 13.527 17.554 ( 0.000 3.248 -15.771) 16.102 17.554 ( 0.000 3.248 15.771) 16.102 17.624 ( 0.000 4.257 -9.967) 10.838 17.624 ( 0.000 4.257 9.967) 10.838 17.986 ( -0.000 -0.526 -16.317) 16.325 17.986 ( -0.000 -0.526 16.317) 16.325 18.020 ( 0.000 1.710 -2.856) 3.329 18.020 ( 0.000 1.710 2.856) 3.329 19.704 ( -0.000 -2.427 -35.413) 35.496 19.704 ( -0.000 -2.427 35.413) 35.496 20.083 ( 0.000 3.466 -10.695) 11.243 20.083 ( 0.000 3.466 10.695) 11.243 20.474 ( -0.000 -0.361 -7.785) 7.794 20.474 ( -0.000 -0.361 7.785) 7.794 21.008 ( -0.000 -1.362 -2.716) 3.039 21.008 ( -0.000 -1.362 2.716) 3.039 21.126 ( -0.000 -2.744 -3.185) 4.204 21.126 ( -0.000 -2.744 3.185) 4.204 21.284 ( -0.000 -2.626 -2.494) 3.622 21.284 ( -0.000 -2.626 2.494) 3.622 21.777 ( -0.000 -0.415 -7.939) 7.950 21.777 ( -0.000 -0.415 7.939) 7.950 22.054 ( -0.000 -5.936 -9.865) 11.514 22.054 ( -0.000 -5.936 9.865) 11.514 22.394 ( 0.000 0.508 -6.472) 6.492 22.394 ( 0.000 0.508 6.472) 6.492 22.584 ( 0.000 0.797 -9.083) 9.118 22.584 ( 0.000 0.797 9.083) 9.118 23.687 ( 0.000 5.054 -1.925) 5.408 23.687 ( 0.000 5.054 1.925) 5.408 24.054 ( -0.000 -1.393 -17.031) 17.087 24.054 ( -0.000 -1.393 17.031) 17.087 25.144 ( -0.000 -0.040 -12.327) 12.327 25.144 ( -0.000 -0.040 12.327) 12.327 25.447 ( -0.000 -0.100 -4.156) 4.157 25.447 ( -0.000 -0.100 4.156) 4.157 25.729 ( -0.000 -1.001 -18.745) 18.772 25.729 ( -0.000 -1.001 18.745) 18.772 25.954 ( -0.000 -0.930 -2.471) 2.641 25.954 ( -0.000 -0.930 2.471) 2.641 26.190 ( -0.000 -0.173 -3.335) 3.339 26.190 ( -0.000 -0.173 3.335) 3.339 26.717 ( -0.000 -0.424 -3.736) 3.760 26.717 ( -0.000 -0.424 3.736) 3.760 27.107 ( -0.000 -2.268 -0.412) 2.305 27.107 ( -0.000 -2.268 0.412) 2.305 27.353 ( 0.000 0.277 -6.539) 6.544 27.353 ( 0.000 0.277 6.539) 6.544 27.605 ( -0.000 -0.763 -2.414) 2.532 27.605 ( -0.000 -0.763 2.414) 2.532 27.943 ( 0.000 0.928 -4.352) 4.450 27.943 ( 0.000 0.928 4.352) 4.450 28.639 ( -0.000 -0.232 -2.020) 2.033 28.639 ( -0.000 -0.232 2.020) 2.033 29.472 ( -0.000 -1.395 -4.624) 4.830 29.472 ( -0.000 -1.395 4.624) 4.830 ======================= Grid point 337 (99/100) ======================= q-point: (-0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.217 ( -10.651 0.000 -0.031) 10.651 4.217 ( -10.651 0.000 0.031) 10.651 5.540 ( 1.021 -0.000 -1.793) 2.063 5.540 ( 1.021 -0.000 1.793) 2.063 6.535 ( -4.466 0.000 -27.287) 27.651 6.535 ( -4.466 0.000 27.287) 27.651 7.049 ( -29.152 0.000 -24.207) 37.892 7.049 ( -29.152 0.000 24.207) 37.892 8.160 ( 7.009 -0.000 -1.141) 7.101 8.160 ( 7.009 -0.000 1.141) 7.101 8.794 ( 1.193 -0.000 -14.756) 14.805 8.794 ( 1.193 -0.000 14.756) 14.805 8.934 ( -16.330 0.000 -2.917) 16.588 8.934 ( -16.330 0.000 2.917) 16.588 9.951 ( 9.579 -0.000 -15.560) 18.272 9.951 ( 9.579 -0.000 15.560) 18.272 10.237 ( 3.434 -0.000 -21.435) 21.708 10.237 ( 3.434 -0.000 21.435) 21.708 11.006 ( 10.784 -0.000 -2.668) 11.109 11.006 ( 10.784 -0.000 2.668) 11.109 11.574 ( -6.718 0.000 -7.805) 10.298 11.574 ( -6.718 0.000 7.805) 10.298 12.147 ( -3.607 0.000 -5.828) 6.854 12.147 ( -3.607 0.000 5.828) 6.854 12.270 ( 2.274 -0.000 -1.268) 2.603 12.270 ( 2.274 -0.000 1.268) 2.603 12.519 ( -1.528 0.000 -7.203) 7.364 12.519 ( -1.528 0.000 7.203) 7.364 13.201 ( 4.267 -0.000 -18.384) 18.873 13.201 ( 4.267 -0.000 18.384) 18.873 13.594 ( -9.014 0.000 -6.636) 11.193 13.594 ( -9.014 0.000 6.636) 11.193 14.741 ( 0.282 -0.000 -4.137) 4.147 14.741 ( 0.282 -0.000 4.137) 4.147 15.511 ( -0.180 0.000 -18.182) 18.182 15.511 ( -0.180 0.000 18.182) 18.182 16.071 ( 5.967 -0.000 -9.060) 10.849 16.071 ( 5.967 -0.000 9.060) 10.849 16.392 ( -6.741 0.000 -2.101) 7.061 16.392 ( -6.741 0.000 2.101) 7.061 17.449 ( 11.961 -0.000 -14.407) 18.725 17.449 ( 11.961 -0.000 14.407) 18.725 17.724 ( 2.619 -0.000 -13.608) 13.858 17.724 ( 2.619 -0.000 13.608) 13.858 17.935 ( 2.108 -0.000 -8.410) 8.670 17.935 ( 2.108 -0.000 8.410) 8.670 18.157 ( -7.194 0.000 -4.818) 8.658 18.157 ( -7.194 0.000 4.818) 8.658 19.551 ( 10.285 -0.000 -29.869) 31.590 19.551 ( 10.285 -0.000 29.869) 31.590 20.182 ( -2.792 0.000 -9.719) 10.112 20.182 ( -2.792 0.000 9.719) 10.112 20.468 ( 2.130 -0.000 -9.504) 9.739 20.468 ( 2.130 -0.000 9.504) 9.739 20.974 ( -1.329 0.000 -0.138) 1.336 20.974 ( -1.329 0.000 0.138) 1.336 21.078 ( 0.333 -0.000 -2.835) 2.855 21.078 ( 0.333 -0.000 2.835) 2.855 21.312 ( -6.438 0.000 -1.981) 6.736 21.312 ( -6.438 0.000 1.981) 6.736 21.774 ( -0.759 0.000 -6.740) 6.783 21.774 ( -0.759 0.000 6.740) 6.783 21.930 ( 1.419 -0.000 -12.761) 12.840 21.930 ( 1.419 -0.000 12.761) 12.840 22.399 ( 0.719 -0.000 -7.576) 7.610 22.399 ( 0.719 -0.000 7.576) 7.610 22.614 ( -1.783 0.000 -8.415) 8.602 22.614 ( -1.783 0.000 8.415) 8.602 23.756 ( 1.568 -0.000 -0.527) 1.654 23.756 ( 1.568 -0.000 0.527) 1.654 24.069 ( -3.913 0.000 -15.726) 16.205 24.069 ( -3.913 0.000 15.726) 16.205 25.131 ( 1.380 -0.000 -13.795) 13.864 25.131 ( 1.380 -0.000 13.795) 13.864 25.425 ( 1.862 -0.000 -4.624) 4.985 25.425 ( 1.862 -0.000 4.624) 4.985 25.732 ( -1.860 0.000 -16.169) 16.276 25.732 ( -1.860 0.000 16.169) 16.276 25.939 ( -0.088 0.000 -1.881) 1.883 25.939 ( -0.088 0.000 1.881) 1.883 26.191 ( -0.402 0.000 -0.330) 0.521 26.191 ( -0.402 0.000 0.330) 0.521 26.694 ( 1.692 -0.000 -3.840) 4.196 26.694 ( 1.692 -0.000 3.840) 4.196 27.078 ( -0.862 0.000 -0.236) 0.894 27.078 ( -0.862 0.000 0.236) 0.894 27.349 ( 0.885 -0.000 -6.994) 7.049 27.349 ( 0.885 -0.000 6.994) 7.049 27.597 ( -0.545 0.000 -2.208) 2.275 27.597 ( -0.545 0.000 2.208) 2.275 27.940 ( 1.932 -0.000 -4.841) 5.212 27.940 ( 1.932 -0.000 4.841) 5.212 28.653 ( -1.992 0.000 -1.214) 2.332 28.653 ( -1.992 0.000 1.214) 2.332 29.422 ( 2.872 -0.000 -4.478) 5.320 29.422 ( 2.872 -0.000 4.478) 5.320 ======================= Grid point 341 (100/100) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.112 ( 0.000 0.474 -1.403) 1.480 4.112 ( 0.000 0.474 1.403) 1.480 5.547 ( -0.000 -0.038 -2.869) 2.869 5.547 ( -0.000 -0.038 2.869) 2.869 6.448 ( 0.000 11.840 -39.594) 41.326 6.448 ( 0.000 11.840 39.594) 41.326 6.725 ( 0.000 6.711 -22.393) 23.377 6.725 ( 0.000 6.711 22.393) 23.377 8.078 ( 0.000 25.597 -10.735) 27.757 8.078 ( 0.000 25.597 10.735) 27.757 8.791 ( -0.000 -7.948 -5.218) 9.507 8.791 ( -0.000 -7.948 5.218) 9.507 8.929 ( -0.000 -17.084 -13.060) 21.504 8.929 ( -0.000 -17.084 13.060) 21.504 10.036 ( 0.000 1.036 -16.170) 16.203 10.036 ( 0.000 1.036 16.170) 16.203 10.305 ( -0.000 -6.319 -19.166) 20.181 10.305 ( -0.000 -6.319 19.166) 20.181 11.109 ( 0.000 3.660 -8.346) 9.113 11.109 ( 0.000 3.660 8.346) 9.113 11.415 ( 0.000 15.166 -11.569) 19.075 11.415 ( 0.000 15.166 11.569) 19.075 11.992 ( 0.000 16.800 -22.384) 27.987 11.992 ( 0.000 16.800 22.384) 27.987 12.179 ( 0.000 20.262 -11.896) 23.496 12.179 ( 0.000 20.262 11.896) 23.496 12.594 ( -0.000 -10.176 -9.353) 13.822 12.594 ( -0.000 -10.176 9.353) 13.822 13.326 ( -0.000 -13.240 -22.102) 25.764 13.326 ( -0.000 -13.240 22.102) 25.764 13.546 ( -0.000 -10.724 -2.253) 10.958 13.546 ( -0.000 -10.724 2.253) 10.958 14.774 ( -0.000 -5.209 -4.805) 7.087 14.774 ( -0.000 -5.209 4.805) 7.087 15.514 ( -0.000 -0.830 -17.786) 17.806 15.514 ( -0.000 -0.830 17.786) 17.806 16.154 ( -0.000 -1.353 -14.401) 14.464 16.154 ( -0.000 -1.353 14.401) 14.464 16.341 ( -0.000 -5.777 -2.972) 6.496 16.341 ( -0.000 -5.777 2.972) 6.496 17.603 ( 0.000 1.339 -15.854) 15.910 17.603 ( 0.000 1.339 15.854) 15.910 17.677 ( 0.000 0.998 -10.248) 10.296 17.677 ( 0.000 0.998 10.248) 10.296 18.001 ( 0.000 1.183 -13.669) 13.720 18.001 ( 0.000 1.183 13.669) 13.720 18.049 ( 0.000 0.881 -2.933) 3.062 18.049 ( 0.000 0.881 2.933) 3.062 19.668 ( -0.000 -1.004 -35.021) 35.035 19.668 ( -0.000 -1.004 35.021) 35.035 20.133 ( 0.000 1.325 -12.073) 12.145 20.133 ( 0.000 1.325 12.073) 12.145 20.481 ( 0.000 0.543 -8.002) 8.020 20.481 ( 0.000 0.543 8.002) 8.020 20.982 ( -0.000 -0.840 -3.304) 3.409 20.982 ( -0.000 -0.840 3.304) 3.409 21.082 ( -0.000 -1.276 -4.107) 4.300 21.082 ( -0.000 -1.276 4.107) 4.300 21.251 ( -0.000 -0.713 -3.483) 3.555 21.251 ( -0.000 -0.713 3.483) 3.555 21.768 ( -0.000 -0.327 -7.873) 7.880 21.768 ( -0.000 -0.327 7.873) 7.880 21.958 ( -0.000 -2.825 -12.113) 12.438 21.958 ( -0.000 -2.825 12.113) 12.438 22.404 ( 0.000 0.334 -8.016) 8.022 22.404 ( 0.000 0.334 8.016) 8.022 22.596 ( 0.000 0.324 -9.145) 9.151 22.596 ( 0.000 0.324 9.145) 9.151 23.762 ( 0.000 1.997 -2.000) 2.826 23.762 ( 0.000 1.997 2.000) 2.826 24.033 ( -0.000 -0.549 -17.749) 17.758 24.033 ( -0.000 -0.549 17.749) 17.758 25.144 ( 0.000 0.021 -13.988) 13.988 25.144 ( 0.000 0.021 13.988) 13.988 25.445 ( -0.000 -0.079 -5.403) 5.403 25.445 ( -0.000 -0.079 5.403) 5.403 25.713 ( -0.000 -0.471 -17.385) 17.392 25.713 ( -0.000 -0.471 17.385) 17.392 25.941 ( -0.000 -0.320 -2.836) 2.854 25.941 ( -0.000 -0.320 2.836) 2.854 26.188 ( -0.000 -0.052 -1.305) 1.306 26.188 ( -0.000 -0.052 1.305) 1.306 26.710 ( -0.000 -0.177 -4.583) 4.586 26.710 ( -0.000 -0.177 4.583) 4.586 27.074 ( -0.000 -0.871 -0.227) 0.900 27.074 ( -0.000 -0.871 0.227) 0.900 27.358 ( 0.000 0.132 -7.415) 7.417 27.358 ( 0.000 0.132 7.415) 7.417 27.594 ( -0.000 -0.326 -2.421) 2.443 27.594 ( -0.000 -0.326 2.421) 2.443 27.957 ( 0.000 0.352 -4.963) 4.975 27.957 ( 0.000 0.352 4.963) 4.975 28.635 ( -0.000 -0.079 -1.427) 1.429 28.635 ( -0.000 -0.079 1.427) 1.429 29.452 ( -0.000 -0.554 -4.652) 4.685 29.452 ( -0.000 -0.554 4.652) 4.685 =================== 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 3/46656 10.0 128.268 594.317 202.051 0.000 0.000 0.000 3/46656 20.0 1465.192 2049.697 1055.529 0.000 0.000 0.000 3/46656 30.0 829.799 775.172 600.687 0.000 0.000 0.000 3/46656 40.0 364.809 385.126 363.297 0.000 0.000 0.000 3/46656 50.0 187.740 220.175 235.549 0.000 0.000 0.000 3/46656 60.0 114.171 138.562 159.731 0.000 0.000 0.000 3/46656 70.0 78.624 95.517 114.743 0.000 0.000 0.000 3/46656 80.0 58.978 70.802 86.851 0.000 0.000 0.000 3/46656 90.0 46.916 55.399 68.577 0.000 0.000 0.000 3/46656 100.0 38.894 45.123 55.991 0.000 0.000 0.000 3/46656 110.0 33.223 37.883 46.954 0.000 0.000 0.000 3/46656 120.0 29.019 32.555 40.238 0.000 0.000 0.000 3/46656 130.0 25.784 28.493 35.100 0.000 0.000 0.000 3/46656 140.0 23.220 25.305 31.071 0.000 0.000 0.000 3/46656 150.0 21.136 22.743 27.845 0.000 0.000 0.000 3/46656 160.0 19.408 20.642 25.214 0.000 0.000 0.000 3/46656 170.0 17.951 18.889 23.033 0.000 0.000 0.000 3/46656 180.0 16.705 17.406 21.200 0.000 0.000 0.000 3/46656 190.0 15.626 16.136 19.641 0.000 0.000 0.000 3/46656 200.0 14.681 15.035 18.300 0.000 0.000 0.000 3/46656 210.0 13.848 14.073 17.135 0.000 0.000 0.000 3/46656 220.0 13.106 13.225 16.114 0.000 0.000 0.000 3/46656 230.0 12.442 12.473 15.213 0.000 0.000 0.000 3/46656 240.0 11.843 11.801 14.412 0.000 0.000 0.000 3/46656 250.0 11.301 11.197 13.694 0.000 0.000 0.000 3/46656 260.0 10.807 10.651 13.049 0.000 0.000 0.000 3/46656 270.0 10.356 10.157 12.465 0.000 0.000 0.000 3/46656 280.0 9.942 9.706 11.934 0.000 0.000 0.000 3/46656 290.0 9.561 9.293 11.449 0.000 0.000 0.000 3/46656 300.0 9.208 8.914 11.004 0.000 0.000 0.000 3/46656 310.0 8.881 8.566 10.595 0.000 0.000 0.000 3/46656 320.0 8.578 8.243 10.217 0.000 0.000 0.000 3/46656 330.0 8.295 7.945 9.867 0.000 0.000 0.000 3/46656 340.0 8.030 7.667 9.541 0.000 0.000 0.000 3/46656 350.0 7.783 7.409 9.238 0.000 0.000 0.000 3/46656 360.0 7.550 7.167 8.955 0.000 0.000 0.000 3/46656 370.0 7.332 6.941 8.689 0.000 0.000 0.000 3/46656 380.0 7.126 6.729 8.440 0.000 0.000 0.000 3/46656 390.0 6.932 6.530 8.206 0.000 0.000 0.000 3/46656 400.0 6.748 6.343 7.986 0.000 0.000 0.000 3/46656 410.0 6.574 6.166 7.777 0.000 0.000 0.000 3/46656 420.0 6.410 6.000 7.580 0.000 0.000 0.000 3/46656 430.0 6.253 5.842 7.393 0.000 0.000 0.000 3/46656 440.0 6.104 5.692 7.216 0.000 0.000 0.000 3/46656 450.0 5.963 5.550 7.047 0.000 0.000 0.000 3/46656 460.0 5.828 5.415 6.887 0.000 0.000 0.000 3/46656 470.0 5.699 5.287 6.734 0.000 0.000 0.000 3/46656 480.0 5.576 5.165 6.589 0.000 0.000 0.000 3/46656 490.0 5.458 5.049 6.449 0.000 0.000 0.000 3/46656 500.0 5.345 4.937 6.316 0.000 0.000 0.000 3/46656 510.0 5.237 4.831 6.189 0.000 0.000 0.000 3/46656 520.0 5.134 4.729 6.066 0.000 0.000 0.000 3/46656 530.0 5.034 4.632 5.949 0.000 0.000 0.000 3/46656 540.0 4.939 4.539 5.837 0.000 0.000 0.000 3/46656 550.0 4.847 4.449 5.729 0.000 0.000 0.000 3/46656 560.0 4.758 4.363 5.624 0.000 0.000 0.000 3/46656 570.0 4.673 4.281 5.524 0.000 0.000 0.000 3/46656 580.0 4.591 4.201 5.428 0.000 0.000 0.000 3/46656 590.0 4.512 4.125 5.335 0.000 0.000 0.000 3/46656 600.0 4.436 4.051 5.245 0.000 0.000 0.000 3/46656 610.0 4.362 3.980 5.158 0.000 0.000 0.000 3/46656 620.0 4.290 3.911 5.075 0.000 0.000 0.000 3/46656 630.0 4.221 3.845 4.994 0.000 0.000 0.000 3/46656 640.0 4.155 3.781 4.915 0.000 0.000 0.000 3/46656 650.0 4.090 3.720 4.840 0.000 0.000 0.000 3/46656 660.0 4.028 3.660 4.766 0.000 0.000 0.000 3/46656 670.0 3.967 3.602 4.695 0.000 0.000 0.000 3/46656 680.0 3.908 3.546 4.626 0.000 0.000 0.000 3/46656 690.0 3.851 3.492 4.559 0.000 0.000 0.000 3/46656 700.0 3.796 3.439 4.494 0.000 0.000 0.000 3/46656 710.0 3.742 3.389 4.431 0.000 0.000 0.000 3/46656 720.0 3.690 3.339 4.370 0.000 0.000 0.000 3/46656 730.0 3.639 3.291 4.310 0.000 0.000 0.000 3/46656 740.0 3.590 3.245 4.252 0.000 0.000 0.000 3/46656 750.0 3.542 3.199 4.196 0.000 0.000 0.000 3/46656 760.0 3.495 3.155 4.141 0.000 0.000 0.000 3/46656 770.0 3.449 3.113 4.088 0.000 0.000 0.000 3/46656 780.0 3.405 3.071 4.036 0.000 0.000 0.000 3/46656 790.0 3.362 3.031 3.985 0.000 0.000 0.000 3/46656 800.0 3.320 2.991 3.936 0.000 0.000 0.000 3/46656 810.0 3.279 2.953 3.888 0.000 0.000 0.000 3/46656 820.0 3.239 2.916 3.841 0.000 0.000 0.000 3/46656 830.0 3.200 2.879 3.795 0.000 0.000 0.000 3/46656 840.0 3.162 2.844 3.751 0.000 0.000 0.000 3/46656 850.0 3.125 2.809 3.707 0.000 0.000 0.000 3/46656 860.0 3.089 2.775 3.665 0.000 0.000 0.000 3/46656 870.0 3.053 2.742 3.623 0.000 0.000 0.000 3/46656 880.0 3.019 2.710 3.582 0.000 0.000 0.000 3/46656 890.0 2.985 2.679 3.543 0.000 0.000 0.000 3/46656 900.0 2.952 2.648 3.504 0.000 0.000 0.000 3/46656 910.0 2.919 2.618 3.466 0.000 0.000 0.000 3/46656 920.0 2.888 2.589 3.429 0.000 0.000 0.000 3/46656 930.0 2.857 2.560 3.393 0.000 0.000 0.000 3/46656 940.0 2.827 2.532 3.357 0.000 0.000 0.000 3/46656 950.0 2.797 2.505 3.322 0.000 0.000 0.000 3/46656 960.0 2.768 2.478 3.288 0.000 0.000 0.000 3/46656 970.0 2.740 2.452 3.255 0.000 0.000 0.000 3/46656 980.0 2.712 2.427 3.222 0.000 0.000 0.000 3/46656 990.0 2.685 2.401 3.190 0.000 0.000 0.000 3/46656 1000.0 2.658 2.377 3.159 0.000 0.000 0.000 3/46656 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:44:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|