----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:47:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.403115944899924 0.000000000000000 0.000000000000000 b 0.000000000000000 7.550017199999998 0.000000000000000 c -7.331400000336243 0.000000000000000 10.492868536209722 Atomic positions (fractional): *1 K 0.26772490582799 0.44082393435208 0.25163874694334 39.098 2 K 0.26772490582799 0.05917606564792 0.75163874694334 39.098 3 K 0.73227509417201 0.94082393435208 0.24836125305666 39.098 4 K 0.73227509417201 0.55917606564792 0.74836125305666 39.098 *5 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 6 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 *7 Br 0.81941649152695 0.50177509217295 0.25445083073536 79.904 *8 Br 0.77089385021763 0.21589389953845 0.47178475033073 79.904 9 Br 0.18058350847305 0.00177509217295 0.24554916926464 79.904 10 Br 0.77089385021763 0.28410610046155 0.97178475033073 79.904 11 Br 0.22910614978237 0.78410610046156 0.52821524966927 79.904 12 Br 0.18058350847305 0.49822490782705 0.74554916926464 79.904 *13 Br 0.32001625445820 0.29798333097969 0.53567271518202 79.904 14 Br 0.32001625445820 0.20201666902031 0.03567271518202 79.904 15 Br 0.81941649152695 0.99822490782705 0.75445083073536 79.904 16 Br 0.67998374554180 0.70201666902031 0.46432728481798 79.904 17 Br 0.22910614978237 0.71589389953844 0.02821524966927 79.904 18 Br 0.67998374554180 0.79798333097969 0.96432728481798 79.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.403115944899924 0.000000000000000 0.000000000000000 b 0.000000000000000 7.550017199999998 0.000000000000000 c -7.331400000336243 0.000000000000000 10.492868536209722 Atomic positions (fractional): *1 K 0.26772490582799 0.44082393435208 0.25163874694334 39.098 > 1 2 K 0.26772490582799 0.05917606564792 0.75163874694334 39.098 > 2 3 K 0.73227509417201 0.94082393435208 0.24836125305666 39.098 > 3 4 K 0.73227509417201 0.55917606564792 0.74836125305666 39.098 > 4 *5 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 5 6 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 6 *7 Br 0.81941649152695 0.50177509217295 0.25445083073536 79.904 > 7 *8 Br 0.77089385021763 0.21589389953845 0.47178475033073 79.904 > 8 9 Br 0.18058350847305 0.00177509217295 0.24554916926464 79.904 > 9 10 Br 0.77089385021763 0.28410610046155 0.97178475033073 79.904 > 10 11 Br 0.22910614978237 0.78410610046156 0.52821524966927 79.904 > 11 12 Br 0.18058350847305 0.49822490782705 0.74554916926464 79.904 > 12 *13 Br 0.32001625445820 0.29798333097969 0.53567271518202 79.904 > 13 14 Br 0.32001625445820 0.20201666902031 0.03567271518202 79.904 > 14 15 Br 0.81941649152695 0.99822490782705 0.75445083073536 79.904 > 15 16 Br 0.67998374554180 0.70201666902031 0.46432728481798 79.904 > 16 17 Br 0.22910614978237 0.71589389953844 0.02821524966927 79.904 > 17 18 Br 0.67998374554180 0.79798333097969 0.96432728481798 79.904 > 18 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.806231889799848 0.000000000000000 0.000000000000000 b 0.000000000000000 15.100034399999997 0.000000000000000 c -14.662800000672487 0.000000000000000 20.985737072419443 Atomic positions (fractional): *1 K 0.13386245291400 0.22041196717604 0.12581937347167 39.098 > 1 2 K 0.63386245291400 0.22041196717604 0.12581937347167 39.098 > 1 3 K 0.13386245291400 0.72041196717604 0.12581937347167 39.098 > 1 4 K 0.63386245291400 0.72041196717604 0.12581937347167 39.098 > 1 5 K 0.13386245291400 0.22041196717604 0.62581937347167 39.098 > 1 6 K 0.63386245291400 0.22041196717604 0.62581937347167 39.098 > 1 7 K 0.13386245291400 0.72041196717604 0.62581937347167 39.098 > 1 8 K 0.63386245291400 0.72041196717604 0.62581937347167 39.098 > 1 9 K 0.13386245291400 0.02958803282396 0.37581937347167 39.098 > 2 10 K 0.63386245291400 0.02958803282396 0.37581937347167 39.098 > 2 11 K 0.13386245291400 0.52958803282396 0.37581937347167 39.098 > 2 12 K 0.63386245291400 0.52958803282396 0.37581937347167 39.098 > 2 13 K 0.13386245291400 0.02958803282396 0.87581937347167 39.098 > 2 14 K 0.63386245291400 0.02958803282396 0.87581937347167 39.098 > 2 15 K 0.13386245291400 0.52958803282396 0.87581937347167 39.098 > 2 16 K 0.63386245291400 0.52958803282396 0.87581937347167 39.098 > 2 17 K 0.36613754708600 0.47041196717604 0.12418062652833 39.098 > 3 18 K 0.86613754708600 0.47041196717604 0.12418062652833 39.098 > 3 19 K 0.36613754708600 0.97041196717604 0.12418062652833 39.098 > 3 20 K 0.86613754708600 0.97041196717604 0.12418062652833 39.098 > 3 21 K 0.36613754708600 0.47041196717604 0.62418062652833 39.098 > 3 22 K 0.86613754708600 0.47041196717604 0.62418062652833 39.098 > 3 23 K 0.36613754708600 0.97041196717604 0.62418062652833 39.098 > 3 24 K 0.86613754708600 0.97041196717604 0.62418062652833 39.098 > 3 25 K 0.36613754708600 0.27958803282396 0.37418062652833 39.098 > 4 26 K 0.86613754708600 0.27958803282396 0.37418062652833 39.098 > 4 27 K 0.36613754708600 0.77958803282396 0.37418062652833 39.098 > 4 28 K 0.86613754708600 0.77958803282396 0.37418062652833 39.098 > 4 29 K 0.36613754708600 0.27958803282396 0.87418062652833 39.098 > 4 30 K 0.86613754708600 0.27958803282396 0.87418062652833 39.098 > 4 31 K 0.36613754708600 0.77958803282396 0.87418062652833 39.098 > 4 32 K 0.86613754708600 0.77958803282396 0.87418062652833 39.098 > 4 *33 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 5 34 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 5 35 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 5 36 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 5 37 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 5 38 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 5 39 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 5 40 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 5 41 Sn 0.00000000000000 0.25000000000000 0.25000000000000 118.710 > 6 42 Sn 0.50000000000000 0.25000000000000 0.25000000000000 118.710 > 6 43 Sn 0.00000000000000 0.75000000000000 0.25000000000000 118.710 > 6 44 Sn 0.50000000000000 0.75000000000000 0.25000000000000 118.710 > 6 45 Sn 0.00000000000000 0.25000000000000 0.75000000000000 118.710 > 6 46 Sn 0.50000000000000 0.25000000000000 0.75000000000000 118.710 > 6 47 Sn 0.00000000000000 0.75000000000000 0.75000000000000 118.710 > 6 48 Sn 0.50000000000000 0.75000000000000 0.75000000000000 118.710 > 6 *49 Br 0.40970824576347 0.25088754608648 0.12722541536768 79.904 > 7 50 Br 0.90970824576347 0.25088754608648 0.12722541536768 79.904 > 7 51 Br 0.40970824576347 0.75088754608648 0.12722541536768 79.904 > 7 52 Br 0.90970824576347 0.75088754608648 0.12722541536768 79.904 > 7 53 Br 0.40970824576347 0.25088754608648 0.62722541536768 79.904 > 7 54 Br 0.90970824576347 0.25088754608648 0.62722541536768 79.904 > 7 55 Br 0.40970824576347 0.75088754608648 0.62722541536768 79.904 > 7 56 Br 0.90970824576347 0.75088754608648 0.62722541536768 79.904 > 7 *57 Br 0.38544692510882 0.10794694976922 0.23589237516537 79.904 > 8 58 Br 0.88544692510882 0.10794694976922 0.23589237516537 79.904 > 8 59 Br 0.38544692510882 0.60794694976922 0.23589237516537 79.904 > 8 60 Br 0.88544692510882 0.60794694976922 0.23589237516537 79.904 > 8 61 Br 0.38544692510882 0.10794694976922 0.73589237516537 79.904 > 8 62 Br 0.88544692510882 0.10794694976922 0.73589237516537 79.904 > 8 63 Br 0.38544692510882 0.60794694976922 0.73589237516537 79.904 > 8 64 Br 0.88544692510882 0.60794694976922 0.73589237516537 79.904 > 8 65 Br 0.09029175423653 0.00088754608648 0.12277458463232 79.904 > 9 66 Br 0.59029175423653 0.00088754608648 0.12277458463232 79.904 > 9 67 Br 0.09029175423653 0.50088754608648 0.12277458463232 79.904 > 9 68 Br 0.59029175423653 0.50088754608648 0.12277458463232 79.904 > 9 69 Br 0.09029175423653 0.00088754608648 0.62277458463232 79.904 > 9 70 Br 0.59029175423653 0.00088754608648 0.62277458463232 79.904 > 9 71 Br 0.09029175423653 0.50088754608648 0.62277458463232 79.904 > 9 72 Br 0.59029175423653 0.50088754608648 0.62277458463232 79.904 > 9 73 Br 0.38544692510882 0.14205305023078 0.48589237516537 79.904 > 10 74 Br 0.88544692510882 0.14205305023078 0.48589237516537 79.904 > 10 75 Br 0.38544692510882 0.64205305023078 0.48589237516537 79.904 > 10 76 Br 0.88544692510882 0.64205305023078 0.48589237516537 79.904 > 10 77 Br 0.38544692510882 0.14205305023078 0.98589237516537 79.904 > 10 78 Br 0.88544692510882 0.14205305023078 0.98589237516537 79.904 > 10 79 Br 0.38544692510882 0.64205305023078 0.98589237516537 79.904 > 10 80 Br 0.88544692510882 0.64205305023078 0.98589237516537 79.904 > 10 81 Br 0.11455307489118 0.39205305023078 0.26410762483463 79.904 > 11 82 Br 0.61455307489118 0.39205305023078 0.26410762483463 79.904 > 11 83 Br 0.11455307489118 0.89205305023078 0.26410762483463 79.904 > 11 84 Br 0.61455307489118 0.89205305023078 0.26410762483463 79.904 > 11 85 Br 0.11455307489118 0.39205305023078 0.76410762483463 79.904 > 11 86 Br 0.61455307489118 0.39205305023078 0.76410762483463 79.904 > 11 87 Br 0.11455307489118 0.89205305023078 0.76410762483463 79.904 > 11 88 Br 0.61455307489118 0.89205305023078 0.76410762483463 79.904 > 11 89 Br 0.09029175423653 0.24911245391352 0.37277458463232 79.904 > 12 90 Br 0.59029175423653 0.24911245391352 0.37277458463232 79.904 > 12 91 Br 0.09029175423653 0.74911245391352 0.37277458463232 79.904 > 12 92 Br 0.59029175423653 0.74911245391352 0.37277458463232 79.904 > 12 93 Br 0.09029175423653 0.24911245391352 0.87277458463232 79.904 > 12 94 Br 0.59029175423653 0.24911245391352 0.87277458463232 79.904 > 12 95 Br 0.09029175423653 0.74911245391352 0.87277458463232 79.904 > 12 96 Br 0.59029175423653 0.74911245391352 0.87277458463232 79.904 > 12 *97 Br 0.16000812722910 0.14899166548985 0.26783635759101 79.904 > 13 98 Br 0.66000812722910 0.14899166548985 0.26783635759101 79.904 > 13 99 Br 0.16000812722910 0.64899166548985 0.26783635759101 79.904 > 13 100 Br 0.66000812722910 0.64899166548985 0.26783635759101 79.904 > 13 101 Br 0.16000812722910 0.14899166548985 0.76783635759101 79.904 > 13 102 Br 0.66000812722910 0.14899166548985 0.76783635759101 79.904 > 13 103 Br 0.16000812722910 0.64899166548985 0.76783635759101 79.904 > 13 104 Br 0.66000812722910 0.64899166548985 0.76783635759101 79.904 > 13 105 Br 0.16000812722910 0.10100833451015 0.01783635759101 79.904 > 14 106 Br 0.66000812722910 0.10100833451015 0.01783635759101 79.904 > 14 107 Br 0.16000812722910 0.60100833451015 0.01783635759101 79.904 > 14 108 Br 0.66000812722910 0.60100833451015 0.01783635759101 79.904 > 14 109 Br 0.16000812722910 0.10100833451015 0.51783635759101 79.904 > 14 110 Br 0.66000812722910 0.10100833451015 0.51783635759101 79.904 > 14 111 Br 0.16000812722910 0.60100833451015 0.51783635759101 79.904 > 14 112 Br 0.66000812722910 0.60100833451015 0.51783635759101 79.904 > 14 113 Br 0.40970824576347 0.49911245391352 0.37722541536768 79.904 > 15 114 Br 0.90970824576347 0.49911245391352 0.37722541536768 79.904 > 15 115 Br 0.40970824576347 0.99911245391352 0.37722541536768 79.904 > 15 116 Br 0.90970824576347 0.99911245391352 0.37722541536768 79.904 > 15 117 Br 0.40970824576347 0.49911245391352 0.87722541536768 79.904 > 15 118 Br 0.90970824576347 0.49911245391352 0.87722541536768 79.904 > 15 119 Br 0.40970824576347 0.99911245391352 0.87722541536768 79.904 > 15 120 Br 0.90970824576347 0.99911245391352 0.87722541536768 79.904 > 15 121 Br 0.33999187277090 0.35100833451015 0.23216364240899 79.904 > 16 122 Br 0.83999187277090 0.35100833451015 0.23216364240899 79.904 > 16 123 Br 0.33999187277090 0.85100833451015 0.23216364240899 79.904 > 16 124 Br 0.83999187277090 0.85100833451015 0.23216364240899 79.904 > 16 125 Br 0.33999187277090 0.35100833451015 0.73216364240899 79.904 > 16 126 Br 0.83999187277090 0.35100833451015 0.73216364240899 79.904 > 16 127 Br 0.33999187277090 0.85100833451015 0.73216364240899 79.904 > 16 128 Br 0.83999187277090 0.85100833451015 0.73216364240899 79.904 > 16 129 Br 0.11455307489118 0.35794694976922 0.01410762483463 79.904 > 17 130 Br 0.61455307489118 0.35794694976922 0.01410762483463 79.904 > 17 131 Br 0.11455307489118 0.85794694976922 0.01410762483463 79.904 > 17 132 Br 0.61455307489118 0.85794694976922 0.01410762483463 79.904 > 17 133 Br 0.11455307489118 0.35794694976922 0.51410762483463 79.904 > 17 134 Br 0.61455307489118 0.35794694976922 0.51410762483463 79.904 > 17 135 Br 0.11455307489118 0.85794694976922 0.51410762483463 79.904 > 17 136 Br 0.61455307489118 0.85794694976922 0.51410762483463 79.904 > 17 137 Br 0.33999187277090 0.39899166548985 0.48216364240899 79.904 > 18 138 Br 0.83999187277090 0.39899166548985 0.48216364240899 79.904 > 18 139 Br 0.33999187277090 0.89899166548985 0.48216364240899 79.904 > 18 140 Br 0.83999187277090 0.89899166548985 0.48216364240899 79.904 > 18 141 Br 0.33999187277090 0.39899166548985 0.98216364240899 79.904 > 18 142 Br 0.83999187277090 0.39899166548985 0.98216364240899 79.904 > 18 143 Br 0.33999187277090 0.89899166548985 0.98216364240899 79.904 > 18 144 Br 0.83999187277090 0.89899166548985 0.98216364240899 79.904 > 18 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6026993 0.0000000 -0.0003309 0.0000000 3.6309177 0.0000000 -0.0003315 0.0000000 3.6155607 -------------------------- Born effective charges -------------------------- 1 K 1.2642983 0.0561065 0.0521273 0.0726668 1.2436163 0.0623252 -0.0166960 0.0838516 1.2808659 2 K 1.2642983 -0.0561065 0.0521273 -0.0726668 1.2436163 -0.0623252 -0.0166960 -0.0838516 1.2808659 3 K 1.2642983 -0.0561065 0.0521273 -0.0726668 1.2436163 -0.0623252 -0.0166960 -0.0838516 1.2808659 4 K 1.2642983 0.0561065 0.0521273 0.0726668 1.2436163 0.0623252 -0.0166960 0.0838516 1.2808659 5 Sn 3.5009687 -0.1224151 0.1531206 0.0703495 3.5284965 -0.0369785 -0.0715444 0.0671678 3.4724944 6 Sn 3.5009687 0.1224151 0.1531206 -0.0703495 3.5284965 0.0369785 -0.0715444 -0.0671678 3.4724944 7 Br -0.7964567 -0.0142029 0.0633919 0.0246540 -0.6848186 0.0133927 0.1386444 0.0513090 -1.4752082 8 Br -1.0077718 -0.4145219 -0.1072907 -0.3320929 -1.2894080 -0.1155911 -0.0367870 -0.0352645 -0.7788236 9 Br -0.7964567 0.0142029 0.0633919 -0.0246540 -0.6848186 -0.0133927 0.1386444 -0.0513090 -1.4752082 10 Br -1.0077718 0.4145219 -0.1072907 0.3320929 -1.2894080 0.1155911 -0.0367870 0.0352645 -0.7788236 11 Br -1.0077718 -0.4145219 -0.1072907 -0.3320929 -1.2894080 -0.1155911 -0.0367870 -0.0352645 -0.7788236 12 Br -0.7964567 -0.0142029 0.0633919 0.0246540 -0.6848186 0.0133927 0.1386444 0.0513090 -1.4752082 13 Br -1.2105541 0.2949428 -0.0847888 0.3787954 -1.0336380 0.0495862 -0.0493891 0.0328891 -0.7630813 14 Br -1.2105541 -0.2949428 -0.0847888 -0.3787954 -1.0336380 -0.0495862 -0.0493891 -0.0328891 -0.7630813 15 Br -0.7964567 0.0142029 0.0633919 -0.0246540 -0.6848186 -0.0133927 0.1386444 -0.0513090 -1.4752082 16 Br -1.2105541 0.2949428 -0.0847888 0.3787954 -1.0336380 0.0495862 -0.0493891 0.0328891 -0.7630813 17 Br -1.0077718 0.4145219 -0.1072907 0.3320929 -1.2894080 0.1155911 -0.0367870 0.0352645 -0.7788236 18 Br -1.2105541 -0.2949428 -0.0847888 -0.3787954 -1.0336380 -0.0495862 -0.0493891 -0.0328891 -0.7630813 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3042 Number of blocks in projector: 3042 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 143 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 143 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 146 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3042, 2998), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (652, 643), data: False |-- (652, 6), data: (652, 15) @ (15, 6) |-- (152, 146), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (652, 642), data: False |-- (652, 9), data: (652, 19) @ (19, 9) |-- (152, 143), data: True |-- (500, 490), data: False |-- (500, 7), data: (500, 17) @ (17, 7) |-- (250, 243), data: True |-- (250, 240), data: True |-- (652, 642), data: False |-- (652, 9), data: (652, 19) @ (19, 9) |-- (152, 143), data: True |-- (500, 490), data: False |-- (500, 7), data: (500, 17) @ (17, 7) |-- (250, 243), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 560 - Time: 1.265 Solver_block: 200 / 560 - Time: 1.160 Solver_block: 300 / 560 - Time: 1.171 Solver_block: 400 / 560 - Time: 1.144 Solver_block: 500 / 560 - Time: 1.177 Solver_block: 560 / 560 - Time: 0.752 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.793 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 12204/12204 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3042 Number of blocks in projector: 3042 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: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 143 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 243 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 7 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 652 / 652 (1) 143 eigenvectors found. (1) Complementary block size: 19 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 652 Use submatrix version of eigh solver. (1) Block: 500 / 652 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 652 / 652 (1) 146 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 362 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 362 Use standard eigh solver. Tree of FC basis block matrices: - (3042, 2998), data: False |-- (362, 357), data: True |-- (362, 357), data: True |-- (362, 357), data: True |-- (652, 643), data: False |-- (652, 6), data: (652, 15) @ (15, 6) |-- (152, 146), data: True |-- (500, 491), data: False |-- (500, 9), data: (500, 18) @ (18, 9) |-- (250, 241), data: True |-- (250, 241), data: True |-- (652, 642), data: False |-- (652, 9), data: (652, 19) @ (19, 9) |-- (152, 143), data: True |-- (500, 490), data: False |-- (500, 7), data: (500, 17) @ (17, 7) |-- (250, 243), data: True |-- (250, 240), data: True |-- (652, 642), data: False |-- (652, 9), data: (652, 19) @ (19, 9) |-- (152, 143), data: True |-- (500, 490), data: False |-- (500, 7), data: (500, 17) @ (17, 7) |-- (250, 243), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 19:48:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:48:27]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.403115944899924 0.000000000000000 0.000000000000000 b 0.000000000000000 7.550017199999998 0.000000000000000 c -7.331400000336243 0.000000000000000 10.492868536209722 Atomic positions (fractional): 1 K 0.26772490582799 0.44082393435208 0.25163874694334 39.098 2 K 0.26772490582799 0.05917606564792 0.75163874694334 39.098 3 K 0.73227509417201 0.94082393435208 0.24836125305666 39.098 4 K 0.73227509417201 0.55917606564792 0.74836125305666 39.098 5 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 6 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 7 Br 0.81941649152695 0.50177509217295 0.25445083073536 79.904 8 Br 0.77089385021763 0.21589389953845 0.47178475033073 79.904 9 Br 0.18058350847305 0.00177509217295 0.24554916926464 79.904 10 Br 0.77089385021763 0.28410610046155 0.97178475033073 79.904 11 Br 0.22910614978237 0.78410610046156 0.52821524966927 79.904 12 Br 0.18058350847305 0.49822490782705 0.74554916926464 79.904 13 Br 0.32001625445820 0.29798333097969 0.53567271518202 79.904 14 Br 0.32001625445820 0.20201666902031 0.03567271518202 79.904 15 Br 0.81941649152695 0.99822490782705 0.75445083073536 79.904 16 Br 0.67998374554180 0.70201666902031 0.46432728481798 79.904 17 Br 0.22910614978237 0.71589389953844 0.02821524966927 79.904 18 Br 0.67998374554180 0.79798333097969 0.96432728481798 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.806231889799848 0.000000000000000 0.000000000000000 b 0.000000000000000 15.100034399999997 0.000000000000000 c -14.662800000672487 0.000000000000000 20.985737072419443 Atomic positions (fractional): 1 K 0.13386245291400 0.22041196717604 0.12581937347167 39.098 > 1 2 K 0.63386245291400 0.22041196717604 0.12581937347167 39.098 > 1 3 K 0.13386245291400 0.72041196717604 0.12581937347167 39.098 > 1 4 K 0.63386245291400 0.72041196717604 0.12581937347167 39.098 > 1 5 K 0.13386245291400 0.22041196717604 0.62581937347167 39.098 > 1 6 K 0.63386245291400 0.22041196717604 0.62581937347167 39.098 > 1 7 K 0.13386245291400 0.72041196717604 0.62581937347167 39.098 > 1 8 K 0.63386245291400 0.72041196717604 0.62581937347167 39.098 > 1 9 K 0.13386245291400 0.02958803282396 0.37581937347167 39.098 > 9 10 K 0.63386245291400 0.02958803282396 0.37581937347167 39.098 > 9 11 K 0.13386245291400 0.52958803282396 0.37581937347167 39.098 > 9 12 K 0.63386245291400 0.52958803282396 0.37581937347167 39.098 > 9 13 K 0.13386245291400 0.02958803282396 0.87581937347167 39.098 > 9 14 K 0.63386245291400 0.02958803282396 0.87581937347167 39.098 > 9 15 K 0.13386245291400 0.52958803282396 0.87581937347167 39.098 > 9 16 K 0.63386245291400 0.52958803282396 0.87581937347167 39.098 > 9 17 K 0.36613754708600 0.47041196717604 0.12418062652833 39.098 > 17 18 K 0.86613754708600 0.47041196717604 0.12418062652833 39.098 > 17 19 K 0.36613754708600 0.97041196717604 0.12418062652833 39.098 > 17 20 K 0.86613754708600 0.97041196717604 0.12418062652833 39.098 > 17 21 K 0.36613754708600 0.47041196717604 0.62418062652833 39.098 > 17 22 K 0.86613754708600 0.47041196717604 0.62418062652833 39.098 > 17 23 K 0.36613754708600 0.97041196717604 0.62418062652833 39.098 > 17 24 K 0.86613754708600 0.97041196717604 0.62418062652833 39.098 > 17 25 K 0.36613754708600 0.27958803282396 0.37418062652833 39.098 > 25 26 K 0.86613754708600 0.27958803282396 0.37418062652833 39.098 > 25 27 K 0.36613754708600 0.77958803282396 0.37418062652833 39.098 > 25 28 K 0.86613754708600 0.77958803282396 0.37418062652833 39.098 > 25 29 K 0.36613754708600 0.27958803282396 0.87418062652833 39.098 > 25 30 K 0.86613754708600 0.27958803282396 0.87418062652833 39.098 > 25 31 K 0.36613754708600 0.77958803282396 0.87418062652833 39.098 > 25 32 K 0.86613754708600 0.77958803282396 0.87418062652833 39.098 > 25 33 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 33 34 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 33 35 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 33 36 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 33 37 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 33 38 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 33 39 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 33 40 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 33 41 Sn 0.00000000000000 0.25000000000000 0.25000000000000 118.710 > 41 42 Sn 0.50000000000000 0.25000000000000 0.25000000000000 118.710 > 41 43 Sn 0.00000000000000 0.75000000000000 0.25000000000000 118.710 > 41 44 Sn 0.50000000000000 0.75000000000000 0.25000000000000 118.710 > 41 45 Sn 0.00000000000000 0.25000000000000 0.75000000000000 118.710 > 41 46 Sn 0.50000000000000 0.25000000000000 0.75000000000000 118.710 > 41 47 Sn 0.00000000000000 0.75000000000000 0.75000000000000 118.710 > 41 48 Sn 0.50000000000000 0.75000000000000 0.75000000000000 118.710 > 41 49 Br 0.40970824576347 0.25088754608648 0.12722541536768 79.904 > 49 50 Br 0.90970824576347 0.25088754608648 0.12722541536768 79.904 > 49 51 Br 0.40970824576347 0.75088754608648 0.12722541536768 79.904 > 49 52 Br 0.90970824576347 0.75088754608648 0.12722541536768 79.904 > 49 53 Br 0.40970824576347 0.25088754608648 0.62722541536768 79.904 > 49 54 Br 0.90970824576347 0.25088754608648 0.62722541536768 79.904 > 49 55 Br 0.40970824576347 0.75088754608648 0.62722541536768 79.904 > 49 56 Br 0.90970824576347 0.75088754608648 0.62722541536768 79.904 > 49 57 Br 0.38544692510882 0.10794694976922 0.23589237516537 79.904 > 57 58 Br 0.88544692510882 0.10794694976922 0.23589237516537 79.904 > 57 59 Br 0.38544692510882 0.60794694976922 0.23589237516537 79.904 > 57 60 Br 0.88544692510882 0.60794694976922 0.23589237516537 79.904 > 57 61 Br 0.38544692510882 0.10794694976922 0.73589237516537 79.904 > 57 62 Br 0.88544692510882 0.10794694976922 0.73589237516537 79.904 > 57 63 Br 0.38544692510882 0.60794694976922 0.73589237516537 79.904 > 57 64 Br 0.88544692510882 0.60794694976922 0.73589237516537 79.904 > 57 65 Br 0.09029175423653 0.00088754608648 0.12277458463232 79.904 > 65 66 Br 0.59029175423653 0.00088754608648 0.12277458463232 79.904 > 65 67 Br 0.09029175423653 0.50088754608648 0.12277458463232 79.904 > 65 68 Br 0.59029175423653 0.50088754608648 0.12277458463232 79.904 > 65 69 Br 0.09029175423653 0.00088754608648 0.62277458463232 79.904 > 65 70 Br 0.59029175423653 0.00088754608648 0.62277458463232 79.904 > 65 71 Br 0.09029175423653 0.50088754608648 0.62277458463232 79.904 > 65 72 Br 0.59029175423653 0.50088754608648 0.62277458463232 79.904 > 65 73 Br 0.38544692510882 0.14205305023078 0.48589237516537 79.904 > 73 74 Br 0.88544692510882 0.14205305023078 0.48589237516537 79.904 > 73 75 Br 0.38544692510882 0.64205305023078 0.48589237516537 79.904 > 73 76 Br 0.88544692510882 0.64205305023078 0.48589237516537 79.904 > 73 77 Br 0.38544692510882 0.14205305023078 0.98589237516537 79.904 > 73 78 Br 0.88544692510882 0.14205305023078 0.98589237516537 79.904 > 73 79 Br 0.38544692510882 0.64205305023078 0.98589237516537 79.904 > 73 80 Br 0.88544692510882 0.64205305023078 0.98589237516537 79.904 > 73 81 Br 0.11455307489118 0.39205305023078 0.26410762483463 79.904 > 81 82 Br 0.61455307489118 0.39205305023078 0.26410762483463 79.904 > 81 83 Br 0.11455307489118 0.89205305023078 0.26410762483463 79.904 > 81 84 Br 0.61455307489118 0.89205305023078 0.26410762483463 79.904 > 81 85 Br 0.11455307489118 0.39205305023078 0.76410762483463 79.904 > 81 86 Br 0.61455307489118 0.39205305023078 0.76410762483463 79.904 > 81 87 Br 0.11455307489118 0.89205305023078 0.76410762483463 79.904 > 81 88 Br 0.61455307489118 0.89205305023078 0.76410762483463 79.904 > 81 89 Br 0.09029175423653 0.24911245391352 0.37277458463232 79.904 > 89 90 Br 0.59029175423653 0.24911245391352 0.37277458463232 79.904 > 89 91 Br 0.09029175423653 0.74911245391352 0.37277458463232 79.904 > 89 92 Br 0.59029175423653 0.74911245391352 0.37277458463232 79.904 > 89 93 Br 0.09029175423653 0.24911245391352 0.87277458463232 79.904 > 89 94 Br 0.59029175423653 0.24911245391352 0.87277458463232 79.904 > 89 95 Br 0.09029175423653 0.74911245391352 0.87277458463232 79.904 > 89 96 Br 0.59029175423653 0.74911245391352 0.87277458463232 79.904 > 89 97 Br 0.16000812722910 0.14899166548985 0.26783635759101 79.904 > 97 98 Br 0.66000812722910 0.14899166548985 0.26783635759101 79.904 > 97 99 Br 0.16000812722910 0.64899166548985 0.26783635759101 79.904 > 97 100 Br 0.66000812722910 0.64899166548985 0.26783635759101 79.904 > 97 101 Br 0.16000812722910 0.14899166548985 0.76783635759101 79.904 > 97 102 Br 0.66000812722910 0.14899166548985 0.76783635759101 79.904 > 97 103 Br 0.16000812722910 0.64899166548985 0.76783635759101 79.904 > 97 104 Br 0.66000812722910 0.64899166548985 0.76783635759101 79.904 > 97 105 Br 0.16000812722910 0.10100833451015 0.01783635759101 79.904 > 105 106 Br 0.66000812722910 0.10100833451015 0.01783635759101 79.904 > 105 107 Br 0.16000812722910 0.60100833451015 0.01783635759101 79.904 > 105 108 Br 0.66000812722910 0.60100833451015 0.01783635759101 79.904 > 105 109 Br 0.16000812722910 0.10100833451015 0.51783635759101 79.904 > 105 110 Br 0.66000812722910 0.10100833451015 0.51783635759101 79.904 > 105 111 Br 0.16000812722910 0.60100833451015 0.51783635759101 79.904 > 105 112 Br 0.66000812722910 0.60100833451015 0.51783635759101 79.904 > 105 113 Br 0.40970824576347 0.49911245391352 0.37722541536768 79.904 > 113 114 Br 0.90970824576347 0.49911245391352 0.37722541536768 79.904 > 113 115 Br 0.40970824576347 0.99911245391352 0.37722541536768 79.904 > 113 116 Br 0.90970824576347 0.99911245391352 0.37722541536768 79.904 > 113 117 Br 0.40970824576347 0.49911245391352 0.87722541536768 79.904 > 113 118 Br 0.90970824576347 0.49911245391352 0.87722541536768 79.904 > 113 119 Br 0.40970824576347 0.99911245391352 0.87722541536768 79.904 > 113 120 Br 0.90970824576347 0.99911245391352 0.87722541536768 79.904 > 113 121 Br 0.33999187277090 0.35100833451015 0.23216364240899 79.904 > 121 122 Br 0.83999187277090 0.35100833451015 0.23216364240899 79.904 > 121 123 Br 0.33999187277090 0.85100833451015 0.23216364240899 79.904 > 121 124 Br 0.83999187277090 0.85100833451015 0.23216364240899 79.904 > 121 125 Br 0.33999187277090 0.35100833451015 0.73216364240899 79.904 > 121 126 Br 0.83999187277090 0.35100833451015 0.73216364240899 79.904 > 121 127 Br 0.33999187277090 0.85100833451015 0.73216364240899 79.904 > 121 128 Br 0.83999187277090 0.85100833451015 0.73216364240899 79.904 > 121 129 Br 0.11455307489118 0.35794694976922 0.01410762483463 79.904 > 129 130 Br 0.61455307489118 0.35794694976922 0.01410762483463 79.904 > 129 131 Br 0.11455307489118 0.85794694976922 0.01410762483463 79.904 > 129 132 Br 0.61455307489118 0.85794694976922 0.01410762483463 79.904 > 129 133 Br 0.11455307489118 0.35794694976922 0.51410762483463 79.904 > 129 134 Br 0.61455307489118 0.35794694976922 0.51410762483463 79.904 > 129 135 Br 0.11455307489118 0.85794694976922 0.51410762483463 79.904 > 129 136 Br 0.61455307489118 0.85794694976922 0.51410762483463 79.904 > 129 137 Br 0.33999187277090 0.39899166548985 0.48216364240899 79.904 > 137 138 Br 0.83999187277090 0.39899166548985 0.48216364240899 79.904 > 137 139 Br 0.33999187277090 0.89899166548985 0.48216364240899 79.904 > 137 140 Br 0.83999187277090 0.89899166548985 0.48216364240899 79.904 > 137 141 Br 0.33999187277090 0.39899166548985 0.98216364240899 79.904 > 137 142 Br 0.83999187277090 0.39899166548985 0.98216364240899 79.904 > 137 143 Br 0.33999187277090 0.89899166548985 0.98216364240899 79.904 > 137 144 Br 0.83999187277090 0.89899166548985 0.98216364240899 79.904 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6026993 0.0000000 -0.0003309 0.0000000 3.6309177 0.0000000 -0.0003315 0.0000000 3.6155607 -------------------------- Born effective charges -------------------------- 1 K 1.2642983 0.0561065 0.0521273 0.0726668 1.2436163 0.0623252 -0.0166960 0.0838516 1.2808659 2 K 1.2642983 -0.0561065 0.0521273 -0.0726668 1.2436163 -0.0623252 -0.0166960 -0.0838516 1.2808659 3 K 1.2642983 -0.0561065 0.0521273 -0.0726668 1.2436163 -0.0623252 -0.0166960 -0.0838516 1.2808659 4 K 1.2642983 0.0561065 0.0521273 0.0726668 1.2436163 0.0623252 -0.0166960 0.0838516 1.2808659 5 Sn 3.5009687 -0.1224151 0.1531206 0.0703495 3.5284965 -0.0369785 -0.0715444 0.0671678 3.4724944 6 Sn 3.5009687 0.1224151 0.1531206 -0.0703495 3.5284965 0.0369785 -0.0715444 -0.0671678 3.4724944 7 Br -0.7964567 -0.0142029 0.0633919 0.0246540 -0.6848186 0.0133927 0.1386444 0.0513090 -1.4752082 8 Br -1.0077718 -0.4145219 -0.1072907 -0.3320929 -1.2894080 -0.1155911 -0.0367870 -0.0352645 -0.7788236 9 Br -0.7964567 0.0142029 0.0633919 -0.0246540 -0.6848186 -0.0133927 0.1386444 -0.0513090 -1.4752082 10 Br -1.0077718 0.4145219 -0.1072907 0.3320929 -1.2894080 0.1155911 -0.0367870 0.0352645 -0.7788236 11 Br -1.0077718 -0.4145219 -0.1072907 -0.3320929 -1.2894080 -0.1155911 -0.0367870 -0.0352645 -0.7788236 12 Br -0.7964567 -0.0142029 0.0633919 0.0246540 -0.6848186 0.0133927 0.1386444 0.0513090 -1.4752082 13 Br -1.2105541 0.2949428 -0.0847888 0.3787954 -1.0336380 0.0495862 -0.0493891 0.0328891 -0.7630813 14 Br -1.2105541 -0.2949428 -0.0847888 -0.3787954 -1.0336380 -0.0495862 -0.0493891 -0.0328891 -0.7630813 15 Br -0.7964567 0.0142029 0.0633919 -0.0246540 -0.6848186 -0.0133927 0.1386444 -0.0513090 -1.4752082 16 Br -1.2105541 0.2949428 -0.0847888 0.3787954 -1.0336380 0.0495862 -0.0493891 0.0328891 -0.7630813 17 Br -1.0077718 0.4145219 -0.1072907 0.3320929 -1.2894080 0.1155911 -0.0367870 0.0352645 -0.7788236 18 Br -1.2105541 -0.2949428 -0.0847888 -0.3787954 -1.0336380 -0.0495862 -0.0493891 -0.0328891 -0.7630813 ---------------------------------------------------------------------------- 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] 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] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0057 0.0000 0.0082] [ 0.0057 0.0000 -0.0082] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000004 (yz) 0.00000004 (yz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:49:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:49:01]------------------------- 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 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.403115944899924 0.000000000000000 0.000000000000000 b 0.000000000000000 7.550017199999998 0.000000000000000 c -7.331400000336243 0.000000000000000 10.492868536209722 Atomic positions (fractional): 1 K 0.26772490582799 0.44082393435208 0.25163874694334 39.098 2 K 0.26772490582799 0.05917606564792 0.75163874694334 39.098 3 K 0.73227509417201 0.94082393435208 0.24836125305666 39.098 4 K 0.73227509417201 0.55917606564792 0.74836125305666 39.098 5 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 6 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 7 Br 0.81941649152695 0.50177509217295 0.25445083073536 79.904 8 Br 0.77089385021763 0.21589389953845 0.47178475033073 79.904 9 Br 0.18058350847305 0.00177509217295 0.24554916926464 79.904 10 Br 0.77089385021763 0.28410610046155 0.97178475033073 79.904 11 Br 0.22910614978237 0.78410610046156 0.52821524966927 79.904 12 Br 0.18058350847305 0.49822490782705 0.74554916926464 79.904 13 Br 0.32001625445820 0.29798333097969 0.53567271518202 79.904 14 Br 0.32001625445820 0.20201666902031 0.03567271518202 79.904 15 Br 0.81941649152695 0.99822490782705 0.75445083073536 79.904 16 Br 0.67998374554180 0.70201666902031 0.46432728481798 79.904 17 Br 0.22910614978237 0.71589389953844 0.02821524966927 79.904 18 Br 0.67998374554180 0.79798333097969 0.96432728481798 79.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.806231889799848 0.000000000000000 0.000000000000000 b 0.000000000000000 15.100034399999997 0.000000000000000 c -14.662800000672487 0.000000000000000 20.985737072419443 Atomic positions (fractional): 1 K 0.13386245291400 0.22041196717604 0.12581937347167 39.098 > 1 2 K 0.63386245291400 0.22041196717604 0.12581937347167 39.098 > 1 3 K 0.13386245291400 0.72041196717604 0.12581937347167 39.098 > 1 4 K 0.63386245291400 0.72041196717604 0.12581937347167 39.098 > 1 5 K 0.13386245291400 0.22041196717604 0.62581937347167 39.098 > 1 6 K 0.63386245291400 0.22041196717604 0.62581937347167 39.098 > 1 7 K 0.13386245291400 0.72041196717604 0.62581937347167 39.098 > 1 8 K 0.63386245291400 0.72041196717604 0.62581937347167 39.098 > 1 9 K 0.13386245291400 0.02958803282396 0.37581937347167 39.098 > 9 10 K 0.63386245291400 0.02958803282396 0.37581937347167 39.098 > 9 11 K 0.13386245291400 0.52958803282396 0.37581937347167 39.098 > 9 12 K 0.63386245291400 0.52958803282396 0.37581937347167 39.098 > 9 13 K 0.13386245291400 0.02958803282396 0.87581937347167 39.098 > 9 14 K 0.63386245291400 0.02958803282396 0.87581937347167 39.098 > 9 15 K 0.13386245291400 0.52958803282396 0.87581937347167 39.098 > 9 16 K 0.63386245291400 0.52958803282396 0.87581937347167 39.098 > 9 17 K 0.36613754708600 0.47041196717604 0.12418062652833 39.098 > 17 18 K 0.86613754708600 0.47041196717604 0.12418062652833 39.098 > 17 19 K 0.36613754708600 0.97041196717604 0.12418062652833 39.098 > 17 20 K 0.86613754708600 0.97041196717604 0.12418062652833 39.098 > 17 21 K 0.36613754708600 0.47041196717604 0.62418062652833 39.098 > 17 22 K 0.86613754708600 0.47041196717604 0.62418062652833 39.098 > 17 23 K 0.36613754708600 0.97041196717604 0.62418062652833 39.098 > 17 24 K 0.86613754708600 0.97041196717604 0.62418062652833 39.098 > 17 25 K 0.36613754708600 0.27958803282396 0.37418062652833 39.098 > 25 26 K 0.86613754708600 0.27958803282396 0.37418062652833 39.098 > 25 27 K 0.36613754708600 0.77958803282396 0.37418062652833 39.098 > 25 28 K 0.86613754708600 0.77958803282396 0.37418062652833 39.098 > 25 29 K 0.36613754708600 0.27958803282396 0.87418062652833 39.098 > 25 30 K 0.86613754708600 0.27958803282396 0.87418062652833 39.098 > 25 31 K 0.36613754708600 0.77958803282396 0.87418062652833 39.098 > 25 32 K 0.86613754708600 0.77958803282396 0.87418062652833 39.098 > 25 33 Sn 0.00000000000000 0.00000000000000 0.00000000000000 118.710 > 33 34 Sn 0.50000000000000 0.00000000000000 0.00000000000000 118.710 > 33 35 Sn 0.00000000000000 0.50000000000000 0.00000000000000 118.710 > 33 36 Sn 0.50000000000000 0.50000000000000 0.00000000000000 118.710 > 33 37 Sn 0.00000000000000 0.00000000000000 0.50000000000000 118.710 > 33 38 Sn 0.50000000000000 0.00000000000000 0.50000000000000 118.710 > 33 39 Sn 0.00000000000000 0.50000000000000 0.50000000000000 118.710 > 33 40 Sn 0.50000000000000 0.50000000000000 0.50000000000000 118.710 > 33 41 Sn 0.00000000000000 0.25000000000000 0.25000000000000 118.710 > 41 42 Sn 0.50000000000000 0.25000000000000 0.25000000000000 118.710 > 41 43 Sn 0.00000000000000 0.75000000000000 0.25000000000000 118.710 > 41 44 Sn 0.50000000000000 0.75000000000000 0.25000000000000 118.710 > 41 45 Sn 0.00000000000000 0.25000000000000 0.75000000000000 118.710 > 41 46 Sn 0.50000000000000 0.25000000000000 0.75000000000000 118.710 > 41 47 Sn 0.00000000000000 0.75000000000000 0.75000000000000 118.710 > 41 48 Sn 0.50000000000000 0.75000000000000 0.75000000000000 118.710 > 41 49 Br 0.40970824576347 0.25088754608648 0.12722541536768 79.904 > 49 50 Br 0.90970824576347 0.25088754608648 0.12722541536768 79.904 > 49 51 Br 0.40970824576347 0.75088754608648 0.12722541536768 79.904 > 49 52 Br 0.90970824576347 0.75088754608648 0.12722541536768 79.904 > 49 53 Br 0.40970824576347 0.25088754608648 0.62722541536768 79.904 > 49 54 Br 0.90970824576347 0.25088754608648 0.62722541536768 79.904 > 49 55 Br 0.40970824576347 0.75088754608648 0.62722541536768 79.904 > 49 56 Br 0.90970824576347 0.75088754608648 0.62722541536768 79.904 > 49 57 Br 0.38544692510882 0.10794694976922 0.23589237516537 79.904 > 57 58 Br 0.88544692510882 0.10794694976922 0.23589237516537 79.904 > 57 59 Br 0.38544692510882 0.60794694976922 0.23589237516537 79.904 > 57 60 Br 0.88544692510882 0.60794694976922 0.23589237516537 79.904 > 57 61 Br 0.38544692510882 0.10794694976922 0.73589237516537 79.904 > 57 62 Br 0.88544692510882 0.10794694976922 0.73589237516537 79.904 > 57 63 Br 0.38544692510882 0.60794694976922 0.73589237516537 79.904 > 57 64 Br 0.88544692510882 0.60794694976922 0.73589237516537 79.904 > 57 65 Br 0.09029175423653 0.00088754608648 0.12277458463232 79.904 > 65 66 Br 0.59029175423653 0.00088754608648 0.12277458463232 79.904 > 65 67 Br 0.09029175423653 0.50088754608648 0.12277458463232 79.904 > 65 68 Br 0.59029175423653 0.50088754608648 0.12277458463232 79.904 > 65 69 Br 0.09029175423653 0.00088754608648 0.62277458463232 79.904 > 65 70 Br 0.59029175423653 0.00088754608648 0.62277458463232 79.904 > 65 71 Br 0.09029175423653 0.50088754608648 0.62277458463232 79.904 > 65 72 Br 0.59029175423653 0.50088754608648 0.62277458463232 79.904 > 65 73 Br 0.38544692510882 0.14205305023078 0.48589237516537 79.904 > 73 74 Br 0.88544692510882 0.14205305023078 0.48589237516537 79.904 > 73 75 Br 0.38544692510882 0.64205305023078 0.48589237516537 79.904 > 73 76 Br 0.88544692510882 0.64205305023078 0.48589237516537 79.904 > 73 77 Br 0.38544692510882 0.14205305023078 0.98589237516537 79.904 > 73 78 Br 0.88544692510882 0.14205305023078 0.98589237516537 79.904 > 73 79 Br 0.38544692510882 0.64205305023078 0.98589237516537 79.904 > 73 80 Br 0.88544692510882 0.64205305023078 0.98589237516537 79.904 > 73 81 Br 0.11455307489118 0.39205305023078 0.26410762483463 79.904 > 81 82 Br 0.61455307489118 0.39205305023078 0.26410762483463 79.904 > 81 83 Br 0.11455307489118 0.89205305023078 0.26410762483463 79.904 > 81 84 Br 0.61455307489118 0.89205305023078 0.26410762483463 79.904 > 81 85 Br 0.11455307489118 0.39205305023078 0.76410762483463 79.904 > 81 86 Br 0.61455307489118 0.39205305023078 0.76410762483463 79.904 > 81 87 Br 0.11455307489118 0.89205305023078 0.76410762483463 79.904 > 81 88 Br 0.61455307489118 0.89205305023078 0.76410762483463 79.904 > 81 89 Br 0.09029175423653 0.24911245391352 0.37277458463232 79.904 > 89 90 Br 0.59029175423653 0.24911245391352 0.37277458463232 79.904 > 89 91 Br 0.09029175423653 0.74911245391352 0.37277458463232 79.904 > 89 92 Br 0.59029175423653 0.74911245391352 0.37277458463232 79.904 > 89 93 Br 0.09029175423653 0.24911245391352 0.87277458463232 79.904 > 89 94 Br 0.59029175423653 0.24911245391352 0.87277458463232 79.904 > 89 95 Br 0.09029175423653 0.74911245391352 0.87277458463232 79.904 > 89 96 Br 0.59029175423653 0.74911245391352 0.87277458463232 79.904 > 89 97 Br 0.16000812722910 0.14899166548985 0.26783635759101 79.904 > 97 98 Br 0.66000812722910 0.14899166548985 0.26783635759101 79.904 > 97 99 Br 0.16000812722910 0.64899166548985 0.26783635759101 79.904 > 97 100 Br 0.66000812722910 0.64899166548985 0.26783635759101 79.904 > 97 101 Br 0.16000812722910 0.14899166548985 0.76783635759101 79.904 > 97 102 Br 0.66000812722910 0.14899166548985 0.76783635759101 79.904 > 97 103 Br 0.16000812722910 0.64899166548985 0.76783635759101 79.904 > 97 104 Br 0.66000812722910 0.64899166548985 0.76783635759101 79.904 > 97 105 Br 0.16000812722910 0.10100833451015 0.01783635759101 79.904 > 105 106 Br 0.66000812722910 0.10100833451015 0.01783635759101 79.904 > 105 107 Br 0.16000812722910 0.60100833451015 0.01783635759101 79.904 > 105 108 Br 0.66000812722910 0.60100833451015 0.01783635759101 79.904 > 105 109 Br 0.16000812722910 0.10100833451015 0.51783635759101 79.904 > 105 110 Br 0.66000812722910 0.10100833451015 0.51783635759101 79.904 > 105 111 Br 0.16000812722910 0.60100833451015 0.51783635759101 79.904 > 105 112 Br 0.66000812722910 0.60100833451015 0.51783635759101 79.904 > 105 113 Br 0.40970824576347 0.49911245391352 0.37722541536768 79.904 > 113 114 Br 0.90970824576347 0.49911245391352 0.37722541536768 79.904 > 113 115 Br 0.40970824576347 0.99911245391352 0.37722541536768 79.904 > 113 116 Br 0.90970824576347 0.99911245391352 0.37722541536768 79.904 > 113 117 Br 0.40970824576347 0.49911245391352 0.87722541536768 79.904 > 113 118 Br 0.90970824576347 0.49911245391352 0.87722541536768 79.904 > 113 119 Br 0.40970824576347 0.99911245391352 0.87722541536768 79.904 > 113 120 Br 0.90970824576347 0.99911245391352 0.87722541536768 79.904 > 113 121 Br 0.33999187277090 0.35100833451015 0.23216364240899 79.904 > 121 122 Br 0.83999187277090 0.35100833451015 0.23216364240899 79.904 > 121 123 Br 0.33999187277090 0.85100833451015 0.23216364240899 79.904 > 121 124 Br 0.83999187277090 0.85100833451015 0.23216364240899 79.904 > 121 125 Br 0.33999187277090 0.35100833451015 0.73216364240899 79.904 > 121 126 Br 0.83999187277090 0.35100833451015 0.73216364240899 79.904 > 121 127 Br 0.33999187277090 0.85100833451015 0.73216364240899 79.904 > 121 128 Br 0.83999187277090 0.85100833451015 0.73216364240899 79.904 > 121 129 Br 0.11455307489118 0.35794694976922 0.01410762483463 79.904 > 129 130 Br 0.61455307489118 0.35794694976922 0.01410762483463 79.904 > 129 131 Br 0.11455307489118 0.85794694976922 0.01410762483463 79.904 > 129 132 Br 0.61455307489118 0.85794694976922 0.01410762483463 79.904 > 129 133 Br 0.11455307489118 0.35794694976922 0.51410762483463 79.904 > 129 134 Br 0.61455307489118 0.35794694976922 0.51410762483463 79.904 > 129 135 Br 0.11455307489118 0.85794694976922 0.51410762483463 79.904 > 129 136 Br 0.61455307489118 0.85794694976922 0.51410762483463 79.904 > 129 137 Br 0.33999187277090 0.39899166548985 0.48216364240899 79.904 > 137 138 Br 0.83999187277090 0.39899166548985 0.48216364240899 79.904 > 137 139 Br 0.33999187277090 0.89899166548985 0.48216364240899 79.904 > 137 140 Br 0.83999187277090 0.89899166548985 0.48216364240899 79.904 > 137 141 Br 0.33999187277090 0.39899166548985 0.98216364240899 79.904 > 137 142 Br 0.83999187277090 0.39899166548985 0.98216364240899 79.904 > 137 143 Br 0.33999187277090 0.89899166548985 0.98216364240899 79.904 > 137 144 Br 0.83999187277090 0.89899166548985 0.98216364240899 79.904 > 137 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6026993 0.0000000 -0.0003309 0.0000000 3.6309177 0.0000000 -0.0003315 0.0000000 3.6155607 -------------------------- Born effective charges -------------------------- 1 K 1.2642983 0.0561065 0.0521273 0.0726668 1.2436163 0.0623252 -0.0166960 0.0838516 1.2808659 2 K 1.2642983 -0.0561065 0.0521273 -0.0726668 1.2436163 -0.0623252 -0.0166960 -0.0838516 1.2808659 3 K 1.2642983 -0.0561065 0.0521273 -0.0726668 1.2436163 -0.0623252 -0.0166960 -0.0838516 1.2808659 4 K 1.2642983 0.0561065 0.0521273 0.0726668 1.2436163 0.0623252 -0.0166960 0.0838516 1.2808659 5 Sn 3.5009687 -0.1224151 0.1531206 0.0703495 3.5284965 -0.0369785 -0.0715444 0.0671678 3.4724944 6 Sn 3.5009687 0.1224151 0.1531206 -0.0703495 3.5284965 0.0369785 -0.0715444 -0.0671678 3.4724944 7 Br -0.7964567 -0.0142029 0.0633919 0.0246540 -0.6848186 0.0133927 0.1386444 0.0513090 -1.4752082 8 Br -1.0077718 -0.4145219 -0.1072907 -0.3320929 -1.2894080 -0.1155911 -0.0367870 -0.0352645 -0.7788236 9 Br -0.7964567 0.0142029 0.0633919 -0.0246540 -0.6848186 -0.0133927 0.1386444 -0.0513090 -1.4752082 10 Br -1.0077718 0.4145219 -0.1072907 0.3320929 -1.2894080 0.1155911 -0.0367870 0.0352645 -0.7788236 11 Br -1.0077718 -0.4145219 -0.1072907 -0.3320929 -1.2894080 -0.1155911 -0.0367870 -0.0352645 -0.7788236 12 Br -0.7964567 -0.0142029 0.0633919 0.0246540 -0.6848186 0.0133927 0.1386444 0.0513090 -1.4752082 13 Br -1.2105541 0.2949428 -0.0847888 0.3787954 -1.0336380 0.0495862 -0.0493891 0.0328891 -0.7630813 14 Br -1.2105541 -0.2949428 -0.0847888 -0.3787954 -1.0336380 -0.0495862 -0.0493891 -0.0328891 -0.7630813 15 Br -0.7964567 0.0142029 0.0633919 -0.0246540 -0.6848186 -0.0133927 0.1386444 -0.0513090 -1.4752082 16 Br -1.2105541 0.2949428 -0.0847888 0.3787954 -1.0336380 0.0495862 -0.0493891 0.0328891 -0.7630813 17 Br -1.0077718 0.4145219 -0.1072907 0.3320929 -1.2894080 0.1155911 -0.0367870 0.0352645 -0.7788236 18 Br -1.2105541 -0.2949428 -0.0847888 -0.3787954 -1.0336380 -0.0495862 -0.0493891 -0.0328891 -0.7630813 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.50, Number of G-points: 315, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.877 ( 0.000 0.000 0.000) 0.000 0.953 ( 0.000 0.000 0.000) 0.000 0.959 ( 0.000 0.000 0.000) 0.000 0.986 ( 0.000 0.000 0.000) 0.000 1.056 ( 0.000 0.000 0.000) 0.000 1.112 ( 0.000 0.000 0.000) 0.000 1.223 ( 0.000 0.000 0.000) 0.000 1.289 ( 0.000 0.000 0.000) 0.000 1.343 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.835 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.047 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.123 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 0.000) 0.000 2.221 ( 0.000 0.000 0.000) 0.000 2.290 ( 0.000 0.000 0.000) 0.000 2.298 ( 0.000 0.000 0.000) 0.000 2.451 ( 0.000 0.000 0.000) 0.000 2.521 ( 0.000 0.000 0.000) 0.000 2.763 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.884 ( 0.000 0.000 0.000) 0.000 2.893 ( 0.000 0.000 0.000) 0.000 2.905 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 3.026 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.208 ( 0.000 0.000 0.000) 0.000 3.222 ( 0.000 0.000 0.000) 0.000 3.250 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.393 ( 0.000 0.000 0.000) 0.000 3.429 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.183 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.732 ( 0.000 0.000 0.000) 0.000 5.130 ( 0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.104 ( 0.000 0.000 0.000) 0.000 6.162 ( 0.000 0.000 0.000) 0.000 6.167 ( 0.000 0.000 0.000) 0.000 6.271 ( 0.000 0.000 0.000) 0.000 6.367 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.213 ( 8.101 0.000 4.326) 9.184 0.243 ( 7.207 0.000 10.212) 12.499 0.473 ( 16.823 0.000 13.808) 21.764 0.827 ( -3.787 0.000 -6.400) 7.437 0.845 ( 0.165 0.000 -6.489) 6.492 0.986 ( -0.116 0.000 1.029) 1.035 1.046 ( -1.185 0.000 0.736) 1.394 1.066 ( 2.674 0.000 4.482) 5.219 1.119 ( 0.112 0.000 0.741) 0.750 1.206 ( -1.337 0.000 -0.765) 1.540 1.278 ( -0.279 0.000 -1.269) 1.300 1.305 ( -2.489 0.000 -2.318) 3.401 1.680 ( -0.609 0.000 1.010) 1.179 1.761 ( -2.779 0.000 -0.966) 2.942 1.796 ( -2.627 0.000 -2.697) 3.765 1.946 ( -6.378 0.000 2.832) 6.979 1.993 ( -1.126 0.000 -1.370) 1.773 2.020 ( 0.787 0.000 -1.663) 1.840 2.052 ( 0.894 0.000 -1.686) 1.908 2.129 ( 0.637 0.000 -1.000) 1.186 2.145 ( 2.269 0.000 1.239) 2.585 2.191 ( 0.921 0.000 -0.818) 1.232 2.302 ( 0.921 0.000 2.017) 2.218 2.360 ( 2.433 0.000 4.354) 4.987 2.429 ( 2.516 0.000 -3.525) 4.331 2.496 ( 2.171 0.000 3.907) 4.470 2.520 ( -0.790 0.000 0.293) 0.842 2.710 ( -1.862 0.000 -3.160) 3.668 2.813 ( 3.877 0.000 -0.542) 3.915 2.864 ( -1.196 0.000 -3.319) 3.528 2.933 ( 1.593 0.000 1.657) 2.299 2.934 ( -1.209 0.000 1.533) 1.952 3.000 ( 0.973 0.000 1.439) 1.737 3.049 ( 2.497 0.000 0.093) 2.498 3.174 ( -1.633 0.000 -2.494) 2.981 3.194 ( -2.234 0.000 0.239) 2.247 3.234 ( 0.958 0.000 0.040) 0.959 3.266 ( -2.493 0.000 1.481) 2.899 3.298 ( 2.202 0.000 0.877) 2.370 3.368 ( -0.442 0.000 -1.239) 1.315 3.437 ( -0.395 0.000 0.564) 0.689 3.741 ( -2.089 0.000 0.195) 2.098 4.173 ( 2.018 0.000 0.940) 2.226 4.202 ( 1.654 0.000 -0.483) 1.723 4.209 ( 1.725 0.000 1.725) 2.439 4.674 ( -4.546 0.000 -2.625) 5.250 5.131 ( 0.030 0.000 0.187) 0.190 5.172 ( -0.312 0.000 -0.206) 0.374 6.093 ( -1.605 0.000 0.515) 1.686 6.127 ( -2.216 0.000 -1.073) 2.462 6.189 ( 3.912 0.000 -8.304) 9.180 6.199 ( 3.388 0.000 -2.118) 3.995 6.388 ( 0.937 0.000 4.351) 4.450 6.723 ( -3.925 0.000 6.066) 7.226 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 4.352 0.000 2.294) 4.920 0.482 ( 7.269 0.000 9.343) 11.838 0.682 ( -3.654 0.000 -6.484) 7.443 0.742 ( -0.532 0.000 -8.585) 8.602 0.860 ( 9.478 0.000 10.726) 14.313 0.989 ( -1.021 0.000 -1.533) 1.842 1.049 ( 1.786 0.000 1.000) 2.047 1.115 ( -1.690 0.000 -0.885) 1.907 1.155 ( 2.160 0.000 3.418) 4.043 1.171 ( -0.914 0.000 -0.260) 0.950 1.232 ( -2.363 0.000 -1.514) 2.807 1.254 ( -0.367 0.000 -1.482) 1.527 1.642 ( -4.200 0.000 0.286) 4.210 1.706 ( -4.159 0.000 -1.566) 4.444 1.746 ( 2.094 0.000 -0.129) 2.098 1.889 ( -3.124 0.000 2.251) 3.851 1.953 ( -1.400 0.000 -1.409) 1.986 2.020 ( 1.410 0.000 -2.032) 2.473 2.061 ( 0.914 0.000 -0.080) 0.918 2.114 ( -0.332 0.000 -1.608) 1.642 2.181 ( 0.345 0.000 1.102) 1.154 2.231 ( 2.758 0.000 1.254) 3.029 2.328 ( -0.077 0.000 1.517) 1.519 2.423 ( 0.605 0.000 -2.526) 2.598 2.440 ( 0.889 0.000 1.445) 1.696 2.508 ( -1.109 0.000 2.820) 3.030 2.588 ( 3.048 0.000 2.901) 4.208 2.644 ( -0.434 0.000 -3.916) 3.940 2.806 ( -0.803 0.000 -2.787) 2.901 2.871 ( 2.471 0.000 -0.152) 2.476 2.921 ( -1.042 0.000 -0.466) 1.141 2.962 ( 0.527 0.000 1.433) 1.527 3.073 ( 3.379 0.000 2.360) 4.121 3.080 ( 0.832 0.000 -1.231) 1.485 3.138 ( -2.184 0.000 -1.281) 2.532 3.141 ( -0.609 0.000 0.376) 0.715 3.243 ( 0.353 0.000 -0.619) 0.712 3.250 ( 0.610 0.000 0.008) 0.610 3.342 ( 1.734 0.000 1.176) 2.096 3.363 ( -0.262 0.000 0.031) 0.264 3.428 ( -0.569 0.000 0.118) 0.581 3.690 ( -3.357 0.000 -1.162) 3.552 4.231 ( 2.419 0.000 -0.593) 2.490 4.231 ( 2.989 0.000 1.294) 3.257 4.275 ( 2.662 0.000 2.764) 3.837 4.541 ( -5.783 0.000 -3.839) 6.941 5.135 ( 0.088 0.000 0.318) 0.330 5.163 ( -0.421 0.000 -0.264) 0.497 6.061 ( -3.586 0.000 -1.159) 3.768 6.064 ( -2.309 0.000 0.380) 2.340 6.145 ( 0.876 0.000 -5.600) 5.668 6.186 ( 0.467 0.000 -4.607) 4.630 6.520 ( 4.656 0.000 7.686) 8.986 6.729 ( -1.503 0.000 2.576) 2.983 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( 1.133 0.000 0.664) 1.313 0.561 ( -2.474 0.000 -4.309) 4.969 0.661 ( 3.427 0.000 -3.876) 5.173 0.714 ( 6.626 0.000 5.900) 8.872 0.881 ( -6.759 0.000 -3.766) 7.737 0.985 ( -0.397 0.000 2.795) 2.823 1.043 ( -3.277 0.000 -3.768) 4.994 1.157 ( 3.568 0.000 2.380) 4.289 1.176 ( -0.292 0.000 1.431) 1.461 1.200 ( -0.618 0.000 -0.267) 0.673 1.220 ( 1.880 0.000 -0.022) 1.880 1.248 ( 1.364 0.000 1.901) 2.339 1.593 ( -1.123 0.000 -0.468) 1.216 1.639 ( -2.415 0.000 0.010) 2.415 1.799 ( 2.835 0.000 1.381) 3.154 1.901 ( 0.763 0.000 2.812) 2.913 1.920 ( -0.940 0.000 -0.704) 1.175 2.009 ( 0.323 0.000 -2.775) 2.794 2.074 ( 0.433 0.000 0.378) 0.575 2.081 ( -1.090 0.000 -1.836) 2.135 2.193 ( 0.364 0.000 0.479) 0.602 2.289 ( 1.248 0.000 1.928) 2.297 2.337 ( -0.694 0.000 0.803) 1.062 2.389 ( -1.119 0.000 -1.810) 2.128 2.407 ( -1.995 0.000 -1.732) 2.642 2.547 ( -0.055 0.000 1.783) 1.784 2.629 ( 1.806 0.000 -0.191) 1.816 2.655 ( 2.411 0.000 1.031) 2.622 2.779 ( -0.583 0.000 -0.513) 0.777 2.890 ( -1.060 0.000 -1.255) 1.643 2.894 ( 0.504 0.000 0.709) 0.870 2.952 ( -1.661 0.000 -1.705) 2.381 3.072 ( 0.226 0.000 -0.696) 0.732 3.115 ( 2.190 0.000 1.030) 2.420 3.127 ( -1.295 0.000 0.014) 1.295 3.178 ( 3.467 0.000 1.493) 3.775 3.226 ( -1.526 0.000 -0.565) 1.628 3.294 ( 2.648 0.000 0.756) 2.753 3.336 ( -1.718 0.000 -1.132) 2.058 3.394 ( 3.134 0.000 1.308) 3.396 3.434 ( 0.468 0.000 0.441) 0.643 3.603 ( -4.696 0.000 -1.831) 5.040 4.261 ( 1.609 0.000 -0.434) 1.667 4.292 ( 2.200 0.000 0.961) 2.401 4.349 ( 2.106 0.000 2.168) 3.022 4.417 ( -3.537 0.000 -2.801) 4.512 5.140 ( 0.088 0.000 0.258) 0.273 5.154 ( -0.287 0.000 -0.176) 0.337 5.993 ( -2.691 0.000 -0.810) 2.811 6.030 ( -1.621 0.000 -0.255) 1.641 6.096 ( -0.025 0.000 -3.464) 3.464 6.139 ( -0.361 0.000 -2.746) 2.770 6.673 ( 3.359 0.000 5.219) 6.206 6.732 ( -0.659 0.000 1.087) 1.271 ======================= Grid point 4 (5/84) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 44 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.428 ( 0.000 0.000 0.000) 0.000 0.514 ( 0.000 0.000 0.000) 0.000 0.703 ( -0.000 0.000 0.000) 0.000 0.748 ( 0.000 0.000 0.000) 0.000 0.871 ( 0.000 0.000 0.000) 0.000 0.937 ( 0.000 0.000 0.000) 0.000 0.995 ( 0.000 0.000 0.000) 0.000 1.184 ( 0.000 0.000 -0.000) 0.000 1.189 ( 0.000 0.000 0.000) 0.000 1.192 ( 0.000 0.000 0.000) 0.000 1.223 ( -0.000 0.000 0.000) 0.000 1.293 ( 0.000 0.000 0.000) 0.000 1.584 ( 0.000 0.000 0.000) 0.000 1.622 ( 0.000 0.000 0.000) 0.000 1.842 ( -0.000 0.000 -0.000) 0.000 1.909 ( 0.000 0.000 0.000) 0.000 1.958 ( -0.000 0.000 -0.000) 0.000 1.965 ( 0.000 0.000 0.000) 0.000 2.052 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.307 ( -0.000 0.000 0.000) 0.000 2.329 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.380 ( 0.000 0.000 0.000) 0.000 2.552 ( 0.000 0.000 0.000) 0.000 2.654 ( 0.000 0.000 -0.000) 0.000 2.691 ( -0.000 0.000 -0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.872 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 -0.000) 0.000 2.917 ( -0.000 0.000 0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.172 ( -0.000 0.000 -0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.306 ( 0.000 0.000 0.000) 0.000 3.322 ( 0.000 0.000 0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 4.271 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.371 ( 0.000 0.000 0.000) 0.000 4.382 ( 0.000 0.000 0.000) 0.000 5.143 ( 0.000 0.000 0.000) 0.000 5.150 ( 0.000 0.000 0.000) 0.000 5.964 ( 0.000 0.000 0.000) 0.000 6.013 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.119 ( 0.000 0.000 0.000) 0.000 6.733 ( 0.000 0.000 0.000) 0.000 6.734 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.164 ( 0.000 8.765 0.000) 8.765 0.256 ( 0.000 13.132 0.000) 13.132 0.348 ( 0.000 16.886 0.000) 16.886 0.862 ( 0.000 -1.592 0.000) 1.592 0.906 ( 0.000 -3.824 0.000) 3.824 0.964 ( 0.000 1.084 0.000) 1.084 1.018 ( 0.000 1.843 0.000) 1.843 1.058 ( 0.000 0.180 0.000) 0.180 1.089 ( 0.000 -2.181 0.000) 2.181 1.190 ( 0.000 -8.493 0.000) 8.493 1.234 ( 0.000 1.154 0.000) 1.154 1.320 ( 0.000 -2.667 0.000) 2.667 1.713 ( 0.000 1.581 0.000) 1.581 1.841 ( 0.000 0.451 0.000) 0.451 1.864 ( 0.000 2.012 0.000) 2.012 1.911 ( 0.000 -4.693 0.000) 4.693 1.934 ( 0.000 -8.134 0.000) 8.134 1.973 ( 0.000 -1.038 0.000) 1.038 2.071 ( 0.000 -0.164 0.000) 0.164 2.126 ( 0.000 -0.268 0.000) 0.268 2.138 ( 0.000 4.378 0.000) 4.378 2.223 ( 0.000 1.117 0.000) 1.117 2.281 ( 0.000 3.712 0.000) 3.712 2.339 ( 0.000 5.236 0.000) 5.236 2.425 ( 0.000 0.536 0.000) 0.536 2.471 ( 0.000 1.463 0.000) 1.463 2.563 ( 0.000 3.681 0.000) 3.681 2.761 ( 0.000 -3.464 0.000) 3.464 2.766 ( 0.000 0.184 0.000) 0.184 2.849 ( 0.000 -2.330 0.000) 2.330 2.909 ( 0.000 0.121 0.000) 0.121 2.971 ( 0.000 4.618 0.000) 4.618 3.003 ( 0.000 1.434 0.000) 1.434 3.009 ( 0.000 -1.682 0.000) 1.682 3.206 ( 0.000 -0.439 0.000) 0.439 3.207 ( 0.000 -0.409 0.000) 0.409 3.227 ( 0.000 -1.240 0.000) 1.240 3.245 ( 0.000 -0.800 0.000) 0.800 3.263 ( 0.000 0.356 0.000) 0.356 3.356 ( 0.000 -2.192 0.000) 2.192 3.460 ( 0.000 2.252 0.000) 2.252 3.724 ( 0.000 -1.739 0.000) 1.739 4.171 ( 0.000 2.110 0.000) 2.110 4.204 ( 0.000 2.155 0.000) 2.155 4.215 ( 0.000 2.434 0.000) 2.434 4.670 ( 0.000 -5.991 0.000) 5.991 5.130 ( 0.000 0.022 0.000) 0.022 5.171 ( 0.000 -0.503 0.000) 0.503 6.058 ( 0.000 -1.795 0.000) 1.795 6.139 ( 0.000 -2.800 0.000) 2.800 6.217 ( 0.000 5.424 0.000) 5.424 6.277 ( 0.000 0.785 0.000) 0.785 6.361 ( 0.000 -0.543 0.000) 0.543 6.686 ( 0.000 -1.054 0.000) 1.054 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.12 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.268 ( 6.682 4.314 5.363) 9.593 0.296 ( 6.774 6.841 2.227) 9.882 0.599 ( 11.385 10.284 11.452) 19.145 0.786 ( -2.752 -2.410 -7.149) 8.030 0.865 ( 0.415 0.250 -4.481) 4.507 0.982 ( -1.414 -0.007 0.506) 1.502 1.046 ( 0.637 -0.964 0.270) 1.186 1.053 ( 0.427 -0.274 4.137) 4.168 1.091 ( -0.153 -2.300 0.526) 2.364 1.184 ( 0.204 -7.163 -0.900) 7.223 1.217 ( -1.958 0.355 -0.328) 2.017 1.290 ( -2.177 -1.783 -1.931) 3.413 1.703 ( -2.079 0.252 1.013) 2.326 1.795 ( -1.513 3.192 -0.920) 3.650 1.829 ( -3.422 2.757 -1.982) 4.820 1.886 ( -1.784 -4.961 -0.585) 5.304 1.901 ( -2.475 -7.066 -0.430) 7.499 1.961 ( -2.017 -1.871 1.355) 3.067 2.062 ( 1.027 0.011 -2.157) 2.389 2.159 ( 1.467 1.797 2.026) 3.080 2.182 ( 2.346 1.121 1.777) 3.149 2.274 ( -0.190 5.962 -2.516) 6.474 2.311 ( 3.628 -0.522 1.749) 4.061 2.334 ( 2.565 1.644 -0.462) 3.081 2.441 ( -0.885 -0.735 3.328) 3.522 2.501 ( 2.209 2.164 0.781) 3.189 2.561 ( -0.076 4.044 0.764) 4.116 2.702 ( -1.762 -1.156 -3.237) 3.863 2.802 ( 3.331 -0.771 -0.335) 3.435 2.873 ( -0.197 -0.103 -1.109) 1.131 2.900 ( 0.433 -0.845 1.402) 1.693 2.974 ( -1.011 1.612 -0.608) 1.998 2.991 ( 0.772 -0.338 1.231) 1.492 3.045 ( 2.809 0.131 0.258) 2.824 3.171 ( -1.126 -0.431 -2.553) 2.824 3.202 ( -1.487 0.443 0.091) 1.554 3.225 ( 0.615 -0.745 -1.057) 1.432 3.267 ( -0.061 -0.689 1.607) 1.750 3.288 ( 1.660 -0.264 1.873) 2.516 3.399 ( 0.624 -0.644 1.462) 1.715 3.411 ( -1.313 1.008 -2.467) 2.971 3.706 ( -2.158 -2.589 0.180) 3.376 4.182 ( 0.563 0.584 1.795) 1.970 4.213 ( 1.380 2.147 0.694) 2.645 4.274 ( 4.688 4.666 -1.267) 6.735 4.621 ( -3.687 -5.036 -2.386) 6.682 5.131 ( 0.031 0.017 0.172) 0.175 5.168 ( -0.289 -0.457 -0.167) 0.566 6.102 ( 2.215 -0.783 0.389) 2.381 6.170 ( 2.624 -2.030 -2.982) 4.461 6.175 ( -1.398 2.950 -1.400) 3.552 6.206 ( 0.973 1.827 -8.951) 9.187 6.395 ( 0.104 0.888 5.568) 5.639 6.671 ( -5.567 -3.242 7.104) 9.590 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.25 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( 4.947 4.663 0.748) 6.839 0.490 ( 6.799 0.688 8.592) 10.978 0.661 ( -1.506 -0.964 -6.374) 6.620 0.776 ( -1.616 2.324 -6.332) 6.936 0.894 ( 5.743 2.879 8.108) 10.345 0.968 ( -0.351 -2.144 -1.260) 2.512 1.050 ( 0.944 -0.621 1.166) 1.624 1.093 ( 1.248 -2.307 0.057) 2.624 1.139 ( 1.844 -0.893 2.265) 3.054 1.159 ( -1.843 -2.660 -1.615) 3.617 1.182 ( -0.422 -2.750 -0.024) 2.782 1.219 ( -2.865 -1.887 -1.257) 3.653 1.648 ( -3.999 -0.188 0.046) 4.003 1.728 ( -5.317 1.262 -0.823) 5.526 1.805 ( 2.303 4.572 0.252) 5.126 1.851 ( -1.147 -5.821 -1.194) 6.052 1.871 ( -1.199 -3.118 1.128) 3.526 1.950 ( -0.102 -2.734 0.447) 2.772 2.061 ( 1.142 -0.054 -1.805) 2.137 2.199 ( 0.177 2.216 1.921) 2.938 2.226 ( -0.449 4.460 -2.261) 5.021 2.260 ( 2.517 2.601 1.676) 3.989 2.342 ( -0.155 1.087 1.595) 1.937 2.382 ( 2.124 -1.903 -1.330) 3.147 2.456 ( -0.016 0.221 0.617) 0.656 2.515 ( -1.607 1.512 1.738) 2.809 2.606 ( 1.444 2.305 -0.135) 2.723 2.665 ( 2.036 1.152 0.337) 2.364 2.810 ( -1.253 1.102 -3.130) 3.547 2.862 ( 1.591 -0.755 -0.439) 1.815 2.932 ( -0.679 0.812 -0.122) 1.066 2.953 ( 0.965 -1.374 1.582) 2.307 3.053 ( 2.909 -1.517 1.795) 3.740 3.077 ( 1.012 -0.487 -1.913) 2.219 3.138 ( 0.071 0.464 -0.396) 0.614 3.161 ( -1.667 1.295 -1.132) 2.395 3.234 ( 1.637 -0.479 -0.251) 1.724 3.272 ( -0.614 1.552 0.283) 1.693 3.338 ( 2.187 -0.718 0.858) 2.456 3.364 ( -0.797 0.393 -0.602) 1.073 3.424 ( -0.529 -0.308 1.368) 1.499 3.656 ( -3.226 -3.069 -0.936) 4.550 4.223 ( 0.730 -0.386 3.080) 3.188 4.261 ( 3.072 2.307 0.570) 3.883 4.330 ( 3.776 5.074 -1.474) 6.495 4.510 ( -4.387 -2.798 -3.784) 6.434 5.134 ( 0.059 -0.040 0.272) 0.281 5.159 ( -0.394 -0.358 -0.217) 0.575 6.088 ( -2.379 2.297 -3.498) 4.813 6.106 ( -1.968 3.374 0.101) 3.907 6.137 ( 1.310 -0.679 -5.583) 5.774 6.193 ( 0.955 0.478 -2.590) 2.801 6.501 ( 2.748 -1.605 7.488) 8.137 6.669 ( -2.551 -5.213 3.947) 7.018 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.38 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.465 ( 1.614 4.327 0.220) 4.623 0.581 ( -0.639 2.018 -2.342) 3.157 0.675 ( 3.090 1.327 -2.285) 4.066 0.729 ( 5.021 1.117 4.196) 6.638 0.888 ( -5.198 0.323 -3.423) 6.233 0.976 ( -0.847 -1.046 2.236) 2.610 1.027 ( -2.486 -1.117 -3.190) 4.196 1.115 ( 0.086 -5.855 -0.181) 5.858 1.145 ( -0.118 -2.442 0.019) 2.444 1.174 ( 0.335 -1.334 0.585) 1.495 1.183 ( -0.802 -3.096 0.497) 3.237 1.241 ( 4.361 0.339 3.081) 5.351 1.603 ( -1.001 0.323 -0.226) 1.076 1.653 ( -2.848 0.743 0.123) 2.946 1.825 ( -0.291 -5.891 -0.765) 5.947 1.859 ( 2.587 3.408 1.061) 4.408 1.884 ( 0.424 -2.010 1.827) 2.749 1.968 ( 1.091 -1.376 0.867) 1.959 2.046 ( -0.229 0.190 -2.174) 2.194 2.177 ( -1.296 2.850 -2.187) 3.819 2.204 ( -1.414 1.659 0.838) 2.335 2.310 ( 1.410 0.129 -0.651) 1.559 2.367 ( 0.244 2.854 2.193) 3.608 2.375 ( -0.615 0.622 -0.151) 0.887 2.441 ( -1.005 3.101 -1.100) 3.440 2.542 ( 0.546 -0.379 3.404) 3.468 2.601 ( 2.024 0.183 -1.998) 2.850 2.733 ( -0.212 4.445 -0.389) 4.467 2.754 ( 0.283 -1.666 0.401) 1.737 2.865 ( -0.577 -1.731 -0.963) 2.063 2.907 ( -0.511 0.562 0.273) 0.807 2.979 ( -0.447 1.776 -1.503) 2.369 3.063 ( 1.071 -0.788 -0.572) 1.448 3.090 ( -0.075 -1.369 0.896) 1.638 3.143 ( 1.361 1.037 -0.900) 1.933 3.178 ( 2.303 -0.213 1.885) 2.984 3.236 ( -1.642 0.988 -0.629) 2.017 3.296 ( 3.064 -0.334 0.009) 3.082 3.344 ( -1.190 1.193 0.197) 1.697 3.380 ( 2.218 -2.208 -0.348) 3.149 3.435 ( 0.125 0.830 1.767) 1.956 3.578 ( -4.178 -2.411 -1.418) 5.028 4.273 ( 0.839 0.462 2.767) 2.928 4.315 ( 2.266 2.221 0.300) 3.187 4.358 ( 0.669 0.990 -0.550) 1.315 4.411 ( -1.216 0.184 -3.691) 3.890 5.139 ( 0.056 -0.156 0.212) 0.269 5.151 ( -0.286 -0.287 -0.155) 0.434 6.026 ( -1.170 3.028 -1.479) 3.567 6.070 ( -1.624 3.738 -0.442) 4.099 6.100 ( 0.332 0.640 -2.849) 2.939 6.159 ( -1.112 2.022 -1.946) 3.019 6.627 ( 2.484 -4.516 4.917) 7.124 6.673 ( -0.860 -5.705 1.539) 5.971 ======================= Grid point 13 (10/84) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 0.000 4.354 0.000) 4.354 0.555 ( -0.000 3.988 -0.000) 3.988 0.715 ( -0.000 1.478 0.000) 1.478 0.770 ( 0.000 2.195 0.000) 2.195 0.870 ( -0.000 -0.734 -0.000) 0.734 0.928 ( 0.000 -0.772 0.000) 0.772 0.989 ( 0.000 -0.348 0.000) 0.348 1.123 ( -0.000 -7.357 -0.000) 7.357 1.128 ( 0.000 -4.383 0.000) 4.383 1.178 ( 0.000 -2.753 -0.000) 2.753 1.184 ( 0.000 -0.617 0.000) 0.617 1.302 ( 0.000 0.070 -0.000) 0.070 1.598 ( 0.000 0.615 0.000) 0.615 1.631 ( 0.000 0.395 -0.000) 0.395 1.818 ( -0.000 -5.742 0.000) 5.742 1.898 ( -0.000 -5.384 0.000) 5.384 1.903 ( 0.000 5.032 -0.000) 5.032 2.005 ( 0.000 -1.029 0.000) 1.029 2.005 ( -0.000 1.925 -0.000) 1.925 2.149 ( 0.000 2.361 0.000) 2.361 2.193 ( 0.000 0.452 0.000) 0.452 2.302 ( 0.000 -2.071 -0.000) 2.071 2.380 ( 0.000 1.748 -0.000) 1.748 2.382 ( -0.000 5.544 0.000) 5.544 2.423 ( -0.000 4.084 -0.000) 4.084 2.564 ( 0.000 1.323 0.000) 1.323 2.650 ( -0.000 -0.257 -0.000) 0.257 2.668 ( 0.000 -2.061 0.000) 2.061 2.790 ( 0.000 2.048 -0.000) 2.048 2.841 ( 0.000 -2.168 0.000) 2.168 2.914 ( 0.000 0.901 -0.000) 0.901 2.952 ( -0.000 2.354 0.000) 2.354 3.073 ( 0.000 0.480 0.000) 0.480 3.092 ( 0.000 -1.773 -0.000) 1.773 3.176 ( -0.000 0.168 0.000) 0.168 3.192 ( 0.000 1.285 -0.000) 1.285 3.220 ( 0.000 -0.655 0.000) 0.655 3.308 ( 0.000 -0.112 0.000) 0.112 3.350 ( -0.000 2.373 0.000) 2.373 3.397 ( -0.000 -3.979 0.000) 3.979 3.475 ( -0.000 0.175 -0.000) 0.175 3.502 ( 0.000 -0.914 0.000) 0.914 4.301 ( -0.000 2.730 -0.000) 2.730 4.329 ( 0.000 0.808 0.000) 0.808 4.359 ( 0.000 -0.883 0.000) 0.883 4.385 ( -0.000 0.642 -0.000) 0.642 5.141 ( 0.000 -0.204 0.000) 0.204 5.147 ( 0.000 -0.288 0.000) 0.288 6.011 ( -0.000 4.512 0.000) 4.512 6.048 ( 0.000 3.286 0.000) 3.286 6.090 ( -0.000 1.764 0.000) 1.764 6.132 ( 0.000 1.476 0.000) 1.476 6.675 ( 0.000 -5.759 0.000) 5.759 6.680 ( 0.000 -5.467 0.000) 5.467 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 0.000 8.766 0.000) 8.766 0.487 ( 0.000 10.953 0.000) 10.953 0.606 ( 0.000 9.227 0.000) 9.227 0.822 ( 0.000 -2.699 0.000) 2.699 0.845 ( 0.000 -1.712 0.000) 1.712 0.960 ( 0.000 -4.098 0.000) 4.098 1.043 ( 0.000 -2.333 0.000) 2.333 1.044 ( 0.000 -3.644 0.000) 3.644 1.046 ( 0.000 1.140 0.000) 1.140 1.071 ( 0.000 1.591 0.000) 1.591 1.250 ( 0.000 -4.197 0.000) 4.197 1.258 ( 0.000 0.964 0.000) 0.964 1.677 ( 0.000 -4.142 0.000) 4.142 1.765 ( 0.000 -7.776 0.000) 7.776 1.871 ( 0.000 2.240 0.000) 2.240 1.875 ( 0.000 0.240 0.000) 0.240 1.912 ( 0.000 1.091 0.000) 1.091 1.952 ( 0.000 -1.067 0.000) 1.067 2.068 ( 0.000 -0.076 0.000) 0.076 2.112 ( 0.000 -1.200 0.000) 1.200 2.212 ( 0.000 3.743 0.000) 3.743 2.254 ( 0.000 1.946 0.000) 1.946 2.352 ( 0.000 3.953 0.000) 3.953 2.439 ( 0.000 4.480 0.000) 4.480 2.441 ( 0.000 0.844 0.000) 0.844 2.498 ( 0.000 1.059 0.000) 1.059 2.643 ( 0.000 3.772 0.000) 3.772 2.719 ( 0.000 -0.277 0.000) 0.277 2.752 ( 0.000 -2.268 0.000) 2.268 2.817 ( 0.000 -0.296 0.000) 0.296 2.894 ( 0.000 -1.445 0.000) 1.445 2.964 ( 0.000 -2.896 0.000) 2.896 3.047 ( 0.000 3.047 0.000) 3.047 3.049 ( 0.000 2.995 0.000) 2.995 3.178 ( 0.000 -2.450 0.000) 2.450 3.183 ( 0.000 -1.703 0.000) 1.703 3.217 ( 0.000 0.038 0.000) 0.038 3.234 ( 0.000 -0.363 0.000) 0.363 3.266 ( 0.000 0.074 0.000) 0.074 3.319 ( 0.000 -1.703 0.000) 1.703 3.507 ( 0.000 2.751 0.000) 2.751 3.680 ( 0.000 -2.740 0.000) 2.740 4.222 ( 0.000 3.113 0.000) 3.113 4.259 ( 0.000 3.404 0.000) 3.404 4.270 ( 0.000 2.973 0.000) 2.973 4.535 ( 0.000 -7.499 0.000) 7.499 5.131 ( 0.000 0.153 0.000) 0.153 5.159 ( 0.000 -0.721 0.000) 0.721 6.015 ( 0.000 -2.315 0.000) 2.315 6.071 ( 0.000 -3.929 0.000) 3.929 6.286 ( 0.000 1.173 0.000) 1.173 6.347 ( 0.000 -0.896 0.000) 0.896 6.355 ( 0.000 7.287 0.000) 7.287 6.653 ( 0.000 -2.467 0.000) 2.467 ======================= Grid point 19 (12/84) ======================= q-point: ( 0.12 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.372 ( 2.186 6.457 3.584) 7.702 0.450 ( 4.012 8.074 -3.234) 9.578 0.752 ( -1.740 -0.797 -6.366) 6.647 0.768 ( 6.034 5.051 7.261) 10.708 0.848 ( 1.895 -1.372 -2.193) 3.207 0.958 ( -0.275 -5.447 -0.581) 5.484 1.011 ( -2.666 0.238 -1.052) 2.876 1.025 ( 0.065 -1.392 0.184) 1.406 1.082 ( 1.947 -2.799 -0.066) 3.411 1.097 ( -0.350 2.075 4.004) 4.524 1.198 ( -1.985 -2.212 -1.180) 3.198 1.272 ( -1.483 0.236 0.176) 1.512 1.656 ( -2.755 -4.036 0.798) 4.951 1.747 ( -1.891 -7.592 -0.370) 7.833 1.836 ( -3.153 0.170 -0.388) 3.181 1.868 ( 0.170 2.682 -1.342) 3.004 1.875 ( -3.827 1.228 0.805) 4.099 1.946 ( -0.368 -0.145 0.672) 0.780 2.068 ( 0.854 0.691 -1.216) 1.639 2.154 ( 2.974 -1.534 1.056) 3.509 2.210 ( 0.048 1.965 2.039) 2.832 2.309 ( 3.288 0.164 -0.657) 3.357 2.361 ( -0.045 3.426 0.286) 3.438 2.399 ( -0.379 3.897 -1.637) 4.244 2.442 ( -1.295 0.826 2.682) 3.091 2.537 ( 2.826 0.814 -1.266) 3.202 2.645 ( 0.915 3.948 -0.103) 4.054 2.697 ( -0.909 1.828 -1.095) 2.317 2.786 ( 3.164 -1.250 1.005) 3.547 2.853 ( 1.617 -0.802 1.632) 2.433 2.886 ( -0.302 -1.396 0.101) 1.431 2.953 ( -1.645 -2.336 0.015) 2.858 3.025 ( 0.089 2.258 -1.816) 2.899 3.065 ( 1.888 1.550 -1.262) 2.749 3.156 ( -0.150 -1.132 -2.134) 2.420 3.200 ( 0.997 -1.721 -0.371) 2.023 3.211 ( -0.911 0.190 -0.083) 0.934 3.246 ( 0.909 -1.087 0.820) 1.637 3.290 ( 1.233 0.410 2.655) 2.956 3.361 ( 1.513 -1.788 2.929) 3.750 3.464 ( -2.328 3.153 -2.817) 4.827 3.653 ( -2.513 -3.020 -0.666) 3.985 4.202 ( -1.590 1.685 2.000) 3.061 4.267 ( 1.161 2.823 0.668) 3.124 4.358 ( 6.890 3.908 -1.298) 8.027 4.513 ( -1.052 -5.542 -1.907) 5.955 5.132 ( 0.014 0.124 0.136) 0.185 5.157 ( -0.232 -0.657 -0.080) 0.701 6.060 ( 4.264 -2.818 0.169) 5.113 6.101 ( 3.569 -4.051 -0.903) 5.474 6.235 ( 0.180 1.598 -7.144) 7.323 6.244 ( -0.982 2.276 -7.504) 7.903 6.433 ( -2.225 3.318 8.450) 9.347 6.625 ( -7.207 -2.007 6.490) 9.904 ======================= Grid point 20 (13/84) ======================= q-point: ( 0.25 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 6.660 3.185 1.909) 7.625 0.516 ( 3.128 3.317 3.600) 5.809 0.666 ( 0.714 1.446 -4.508) 4.788 0.811 ( -1.648 1.243 -2.656) 3.364 0.906 ( 0.488 -3.847 1.054) 4.019 0.919 ( 0.143 -2.402 -1.765) 2.984 0.974 ( -2.217 -3.822 1.356) 4.622 1.085 ( 4.586 1.136 2.625) 5.405 1.096 ( 0.966 -3.464 -2.152) 4.191 1.136 ( 0.506 -0.085 1.419) 1.509 1.168 ( -1.322 0.477 0.073) 1.407 1.219 ( -2.985 2.116 -0.445) 3.686 1.609 ( -3.263 -3.700 0.541) 4.963 1.690 ( -4.390 -5.256 0.195) 6.852 1.782 ( -2.062 -0.992 -0.640) 2.376 1.812 ( -1.639 -0.486 -0.344) 1.744 1.907 ( 2.755 3.756 1.480) 4.888 1.953 ( 0.074 1.708 0.643) 1.826 2.065 ( 0.700 1.029 -1.662) 2.076 2.209 ( 0.837 -0.709 1.983) 2.266 2.261 ( 0.790 -0.614 0.770) 1.263 2.281 ( -0.520 -0.760 -1.099) 1.434 2.358 ( -0.660 1.788 -0.241) 1.921 2.411 ( 1.408 3.565 0.648) 3.887 2.464 ( 0.235 0.787 1.673) 1.864 2.553 ( 1.192 0.817 -0.911) 1.708 2.654 ( -0.118 3.257 -2.068) 3.860 2.705 ( 2.196 3.421 2.143) 4.595 2.843 ( 2.164 0.297 -1.728) 2.785 2.852 ( -1.618 1.186 -0.969) 2.228 2.909 ( -0.491 -2.845 0.851) 3.010 2.936 ( 1.284 -0.767 2.220) 2.677 3.031 ( 2.248 -0.587 -0.082) 2.325 3.065 ( 0.735 -0.650 -2.771) 2.940 3.146 ( 1.055 0.312 -0.544) 1.228 3.184 ( -0.829 1.119 -1.392) 1.969 3.220 ( 1.856 -1.223 0.032) 2.223 3.274 ( 1.238 -2.044 0.308) 2.409 3.342 ( 0.725 1.896 1.476) 2.509 3.383 ( -1.628 1.813 -1.580) 2.904 3.421 ( -0.132 -0.046 3.174) 3.177 3.589 ( -3.448 -3.810 -1.248) 5.288 4.221 ( -0.419 0.327 3.889) 3.925 4.296 ( 0.373 0.546 1.684) 1.809 4.429 ( 4.518 4.571 -4.106) 7.627 4.468 ( 0.686 -0.599 -4.226) 4.323 5.134 ( -0.005 0.030 0.174) 0.176 5.151 ( -0.319 -0.514 -0.120) 0.617 6.106 ( 1.742 -0.843 -3.740) 4.212 6.132 ( 2.083 -0.132 -3.588) 4.151 6.157 ( 0.350 1.675 -3.203) 3.632 6.197 ( 1.759 0.159 -1.052) 2.055 6.481 ( -2.462 0.052 7.031) 7.449 6.580 ( -6.094 -3.450 5.273) 8.766 ======================= Grid point 21 (14/84) ======================= q-point: ( 0.38 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( 1.301 3.943 -0.276) 4.161 0.634 ( 2.709 3.134 1.043) 4.272 0.707 ( 4.298 1.706 1.955) 5.020 0.747 ( 0.086 1.330 -0.696) 1.503 0.877 ( -1.345 -1.043 -0.892) 1.921 0.936 ( -0.996 -2.918 0.872) 3.204 0.958 ( -0.029 -7.787 0.248) 7.791 1.046 ( -1.953 1.378 -4.653) 5.231 1.108 ( -3.550 -2.241 0.470) 4.224 1.126 ( -1.658 -2.078 -0.221) 2.667 1.167 ( 1.900 0.682 0.732) 2.147 1.249 ( 3.209 0.302 0.989) 3.372 1.576 ( -1.029 -3.204 0.327) 3.381 1.630 ( -2.795 -3.347 0.635) 4.407 1.757 ( -0.441 -0.898 -0.304) 1.046 1.805 ( 0.449 -2.127 0.189) 2.182 1.966 ( 0.751 2.183 0.734) 2.422 1.976 ( 2.181 3.347 1.947) 4.444 2.050 ( 0.159 0.489 -2.154) 2.215 2.185 ( -2.082 -1.817 -3.298) 4.303 2.225 ( -1.619 1.101 2.624) 3.274 2.326 ( 0.413 2.526 -2.863) 3.840 2.369 ( 0.780 -1.204 5.113) 5.311 2.445 ( 0.494 3.068 1.436) 3.423 2.482 ( 2.511 1.416 -1.275) 3.152 2.572 ( -0.163 2.085 2.903) 3.578 2.625 ( 0.619 2.770 -2.630) 3.870 2.738 ( -1.545 0.866 -1.706) 2.460 2.799 ( -0.674 1.128 -0.606) 1.447 2.835 ( -0.170 -0.812 -1.625) 1.825 2.918 ( 0.169 0.868 2.244) 2.412 2.997 ( 1.159 0.120 -0.045) 1.166 3.047 ( 1.288 -0.703 -1.276) 1.945 3.073 ( 1.305 -0.811 1.122) 1.902 3.165 ( 0.982 1.321 -1.353) 2.131 3.172 ( 1.232 -0.276 1.563) 2.009 3.252 ( 1.002 -0.368 -0.693) 1.273 3.283 ( 0.656 -0.941 -1.433) 1.835 3.315 ( -0.758 -2.622 -1.198) 2.980 3.383 ( -0.354 2.081 0.920) 2.303 3.459 ( 0.226 1.287 2.633) 2.939 3.522 ( -2.802 -3.240 -0.565) 4.321 4.275 ( 0.272 -0.103 5.058) 5.067 4.318 ( -1.172 -1.553 3.317) 3.845 4.410 ( 1.616 3.871 -5.624) 7.016 4.444 ( 2.157 2.634 -5.781) 6.709 5.136 ( -0.021 -0.121 0.112) 0.166 5.144 ( -0.250 -0.395 -0.117) 0.482 6.086 ( 1.452 2.948 -2.178) 3.942 6.117 ( 2.227 1.797 -2.387) 3.726 6.151 ( -1.396 3.458 0.184) 3.733 6.203 ( -0.738 2.044 -0.661) 2.272 6.524 ( -0.664 -5.625 4.252) 7.083 6.550 ( -2.511 -6.352 2.022) 7.123 ======================= Grid point 22 (15/84) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 0.000 3.603 0.000) 3.603 0.643 ( 0.000 4.669 -0.000) 4.669 0.766 ( -0.000 3.789 -0.000) 3.789 0.801 ( 0.000 -2.004 0.000) 2.004 0.840 ( 0.000 0.287 0.000) 0.287 0.919 ( 0.000 0.106 -0.000) 0.106 0.956 ( -0.000 -7.565 -0.000) 7.565 1.003 ( 0.000 0.076 0.000) 0.076 1.063 ( -0.000 -1.748 0.000) 1.748 1.114 ( 0.000 -3.920 -0.000) 3.920 1.187 ( 0.000 0.785 0.000) 0.785 1.284 ( 0.000 -1.939 -0.000) 1.939 1.573 ( 0.000 -3.287 0.000) 3.287 1.611 ( -0.000 -2.820 -0.000) 2.820 1.752 ( 0.000 -0.596 -0.000) 0.596 1.814 ( 0.000 -2.712 0.000) 2.712 1.993 ( -0.000 3.754 -0.000) 3.754 1.997 ( 0.000 0.025 0.000) 0.025 2.033 ( 0.000 0.938 -0.000) 0.938 2.146 ( 0.000 -2.191 0.000) 2.191 2.234 ( 0.000 3.802 -0.000) 3.802 2.295 ( 0.000 1.613 0.000) 1.613 2.415 ( 0.000 1.199 -0.000) 1.199 2.450 ( -0.000 0.664 -0.000) 0.664 2.510 ( 0.000 4.176 0.000) 4.176 2.598 ( 0.000 1.189 0.000) 1.189 2.643 ( -0.000 0.883 -0.000) 0.883 2.655 ( 0.000 1.063 -0.000) 1.063 2.804 ( -0.000 -1.478 -0.000) 1.478 2.817 ( 0.000 0.684 0.000) 0.684 2.944 ( 0.000 2.108 -0.000) 2.108 2.985 ( 0.000 1.031 0.000) 1.031 3.060 ( 0.000 -1.448 -0.000) 1.448 3.095 ( -0.000 1.545 -0.000) 1.545 3.177 ( 0.000 0.130 0.000) 0.130 3.208 ( 0.000 -0.580 0.000) 0.580 3.222 ( -0.000 1.603 -0.000) 1.603 3.284 ( -0.000 -2.778 -0.000) 2.778 3.309 ( 0.000 -4.295 0.000) 4.295 3.380 ( -0.000 0.013 0.000) 0.013 3.482 ( 0.000 0.790 0.000) 0.790 3.490 ( -0.000 0.114 -0.000) 0.114 4.324 ( 0.000 -0.665 -0.000) 0.665 4.332 ( 0.000 -0.432 0.000) 0.432 4.381 ( -0.000 3.290 -0.000) 3.290 4.414 ( 0.000 2.053 -0.000) 2.053 5.136 ( 0.000 -0.205 0.000) 0.205 5.141 ( 0.000 -0.353 0.000) 0.353 6.105 ( -0.000 4.587 0.000) 4.587 6.115 ( 0.000 3.409 -0.000) 3.409 6.143 ( -0.000 3.807 0.000) 3.807 6.176 ( 0.000 2.961 0.000) 2.961 6.538 ( -0.000 -7.941 0.000) 7.941 6.548 ( 0.000 -7.697 0.000) 7.697 ======================= Grid point 27 (16/84) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.495 ( 0.000 8.582 0.000) 8.582 0.642 ( 0.000 -5.463 0.000) 5.463 0.659 ( 0.000 7.023 0.000) 7.023 0.759 ( 0.000 -3.844 0.000) 3.844 0.856 ( 0.000 2.205 0.000) 2.205 0.886 ( 0.000 -1.371 0.000) 1.371 1.012 ( 0.000 -0.654 0.000) 0.654 1.019 ( 0.000 -0.776 0.000) 0.776 1.061 ( 0.000 0.644 0.000) 0.644 1.087 ( 0.000 -1.613 0.000) 1.613 1.214 ( 0.000 1.726 0.000) 1.726 1.256 ( 0.000 -1.383 0.000) 1.383 1.618 ( 0.000 -1.190 0.000) 1.190 1.647 ( 0.000 -4.218 0.000) 4.218 1.886 ( 0.000 1.001 0.000) 1.001 1.908 ( 0.000 -1.114 0.000) 1.114 1.914 ( 0.000 1.810 0.000) 1.810 1.938 ( 0.000 -0.732 0.000) 0.732 2.071 ( 0.000 0.491 0.000) 0.491 2.087 ( 0.000 -1.195 0.000) 1.195 2.273 ( 0.000 2.204 0.000) 2.204 2.284 ( 0.000 0.849 0.000) 0.849 2.421 ( 0.000 2.947 0.000) 2.947 2.450 ( 0.000 -0.139 0.000) 0.139 2.496 ( 0.000 1.405 0.000) 1.405 2.505 ( 0.000 -0.097 0.000) 0.097 2.673 ( 0.000 0.593 0.000) 0.593 2.699 ( 0.000 -2.436 0.000) 2.436 2.770 ( 0.000 4.013 0.000) 4.013 2.822 ( 0.000 -0.651 0.000) 0.651 2.871 ( 0.000 0.005 0.000) 0.005 2.907 ( 0.000 -2.929 0.000) 2.929 3.083 ( 0.000 1.048 0.000) 1.048 3.094 ( 0.000 0.793 0.000) 0.793 3.138 ( 0.000 -0.576 0.000) 0.576 3.155 ( 0.000 -1.283 0.000) 1.283 3.221 ( 0.000 0.266 0.000) 0.266 3.227 ( 0.000 -0.376 0.000) 0.376 3.271 ( 0.000 0.652 0.000) 0.652 3.291 ( 0.000 -1.306 0.000) 1.306 3.563 ( 0.000 3.173 0.000) 3.173 3.624 ( 0.000 -3.152 0.000) 3.152 4.285 ( 0.000 3.224 0.000) 3.224 4.310 ( 0.000 0.764 0.000) 0.764 4.321 ( 0.000 3.138 0.000) 3.138 4.405 ( 0.000 -5.925 0.000) 5.925 5.136 ( 0.000 0.398 0.000) 0.398 5.146 ( 0.000 -0.637 0.000) 0.637 5.986 ( 0.000 -0.400 0.000) 0.400 6.007 ( 0.000 -2.512 0.000) 2.512 6.307 ( 0.000 1.132 0.000) 1.132 6.328 ( 0.000 -1.085 0.000) 1.085 6.487 ( 0.000 6.368 0.000) 6.368 6.589 ( 0.000 -4.352 0.000) 4.352 ======================= Grid point 28 (17/84) ======================= q-point: ( 0.12 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -0.421 6.571 1.557) 6.767 0.564 ( -0.127 2.360 -2.644) 3.547 0.718 ( 0.354 -2.138 -2.729) 3.485 0.753 ( 2.319 -4.138 -1.620) 5.013 0.854 ( 2.090 2.487 -2.142) 3.891 0.900 ( 2.140 -1.475 -0.900) 2.750 1.013 ( 0.740 0.061 0.236) 0.780 1.017 ( -1.785 -0.192 -1.246) 2.185 1.058 ( 0.108 0.360 1.286) 1.340 1.090 ( -0.974 -2.518 2.421) 3.626 1.216 ( -0.406 3.656 1.608) 4.015 1.268 ( -0.824 -1.315 1.288) 2.017 1.600 ( -2.329 -1.073 0.360) 2.589 1.630 ( -1.841 -4.241 -0.038) 4.624 1.848 ( -4.228 0.971 0.407) 4.357 1.868 ( -4.966 -1.023 1.088) 5.186 1.919 ( 1.417 1.996 -0.261) 2.462 1.943 ( 1.278 -0.579 -0.164) 1.413 2.087 ( 1.845 1.344 -0.137) 2.287 2.119 ( 2.669 -1.906 0.568) 3.328 2.258 ( -1.078 2.792 0.380) 3.017 2.300 ( 0.248 -1.378 -0.799) 1.611 2.413 ( -1.919 2.109 1.657) 3.298 2.436 ( -2.925 -0.079 2.772) 4.030 2.481 ( 2.842 2.839 -3.552) 5.362 2.525 ( 3.331 -1.710 -3.708) 5.270 2.701 ( 2.206 2.561 0.668) 3.445 2.744 ( 3.279 -1.460 0.407) 3.613 2.775 ( 0.039 3.562 2.167) 4.170 2.839 ( 1.446 -2.282 1.009) 2.883 2.866 ( -0.318 0.803 0.140) 0.875 2.903 ( -1.088 -2.626 0.455) 2.879 3.060 ( -0.314 1.422 -2.575) 2.958 3.080 ( 0.412 -0.378 -3.044) 3.095 3.142 ( 0.777 0.188 -0.506) 0.946 3.163 ( 1.209 -1.739 -0.310) 2.141 3.218 ( -0.289 0.494 -0.231) 0.618 3.229 ( 0.208 -0.725 0.039) 0.756 3.306 ( 1.484 1.210 3.423) 3.922 3.332 ( 1.476 -1.421 3.639) 4.176 3.527 ( -2.434 3.430 -2.216) 4.754 3.592 ( -2.516 -3.396 -1.490) 4.482 4.244 ( -2.958 2.684 1.718) 4.348 4.288 ( -2.115 -1.107 1.307) 2.722 4.413 ( 7.123 1.836 -1.308) 7.471 4.440 ( 4.400 -1.891 -1.636) 5.061 5.136 ( -0.049 0.335 0.085) 0.349 5.145 ( -0.149 -0.561 0.010) 0.580 6.021 ( 3.732 -0.885 0.069) 3.836 6.036 ( 3.418 -2.402 -0.296) 4.188 6.257 ( 0.326 0.840 -7.455) 7.509 6.265 ( 0.033 0.093 -7.933) 7.934 6.510 ( -4.455 4.266 8.067) 10.155 6.580 ( -6.106 -2.992 6.756) 9.585 ======================= Grid point 29 (18/84) ======================= q-point: ( 0.25 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.549 ( 3.284 2.870 3.425) 5.546 0.576 ( 1.864 1.281 0.681) 2.362 0.693 ( 2.319 1.489 -2.728) 3.878 0.765 ( 1.346 -5.849 -0.917) 6.071 0.865 ( -0.293 2.301 -0.689) 2.420 0.900 ( 0.214 -0.591 -1.972) 2.069 0.950 ( -3.893 0.734 -0.599) 4.006 1.011 ( 0.158 -4.673 -1.664) 4.963 1.105 ( 2.333 0.781 1.653) 2.964 1.120 ( 0.868 -0.906 1.193) 1.731 1.219 ( -1.172 3.043 0.063) 3.261 1.248 ( -1.411 0.199 -0.198) 1.439 1.556 ( -2.746 -0.826 0.256) 2.879 1.590 ( -2.735 -4.195 0.202) 5.012 1.786 ( -3.098 0.900 0.596) 3.280 1.804 ( -3.278 -0.786 1.017) 3.521 1.957 ( 2.398 1.858 0.546) 3.082 1.975 ( 2.132 0.119 0.218) 2.146 2.109 ( 0.459 3.241 -0.689) 3.345 2.170 ( 1.335 -3.026 0.922) 3.434 2.251 ( -0.842 0.004 -0.906) 1.237 2.261 ( -0.692 -1.006 0.509) 1.322 2.403 ( -1.619 2.693 1.753) 3.599 2.444 ( -1.092 -0.967 3.332) 3.637 2.494 ( 2.557 2.679 -1.972) 4.196 2.539 ( 2.985 -1.769 -2.711) 4.403 2.730 ( 0.785 4.189 -1.141) 4.412 2.773 ( 1.744 2.208 -0.289) 2.828 2.823 ( 0.406 -0.871 -0.755) 1.222 2.860 ( -1.474 -2.397 0.343) 2.835 2.884 ( 0.934 1.244 1.202) 1.966 2.907 ( 2.519 -1.648 3.358) 4.509 3.033 ( 0.814 0.682 -1.850) 2.133 3.051 ( 0.499 -0.959 -2.508) 2.731 3.155 ( 1.344 0.904 -0.467) 1.686 3.185 ( 1.461 -2.103 0.122) 2.564 3.205 ( 0.218 1.153 -1.509) 1.912 3.232 ( 0.819 -1.788 -1.184) 2.296 3.381 ( 1.586 1.839 3.865) 4.564 3.406 ( 1.590 -0.640 4.161) 4.500 3.443 ( -3.781 3.329 -2.453) 5.603 3.515 ( -3.714 -3.962 -1.992) 5.784 4.238 ( -1.559 1.487 3.625) 4.217 4.275 ( -2.123 -2.107 2.807) 4.102 4.483 ( 4.521 1.624 -4.763) 6.765 4.490 ( 5.515 1.213 -4.753) 7.381 5.136 ( -0.093 0.190 0.069) 0.222 5.142 ( -0.208 -0.395 -0.025) 0.448 6.090 ( 4.023 -0.307 -0.692) 4.094 6.105 ( 4.682 -1.812 -0.159) 5.023 6.182 ( 1.010 1.067 -5.597) 5.787 6.197 ( 1.508 -0.433 -4.336) 4.611 6.503 ( -6.497 1.788 6.320) 9.238 6.536 ( -7.725 -1.707 5.653) 9.723 ======================= Grid point 30 (19/84) ======================= q-point: ( 0.38 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 0.847 2.916 0.849) 3.153 0.659 ( 3.422 -1.223 3.427) 4.995 0.734 ( 2.000 2.072 0.196) 2.887 0.788 ( 1.803 -0.679 0.297) 1.949 0.821 ( 0.298 -0.820 -1.727) 1.935 0.874 ( -2.836 -3.058 0.185) 4.175 0.920 ( 0.622 2.976 1.053) 3.218 1.002 ( 0.287 -4.692 -0.492) 4.726 1.103 ( -3.093 0.519 -0.481) 3.173 1.111 ( -2.526 -0.197 -1.113) 2.768 1.200 ( 0.980 2.632 -1.263) 3.079 1.242 ( 1.161 -1.312 -1.471) 2.287 1.527 ( -1.123 -0.901 0.359) 1.484 1.555 ( -1.635 -3.554 0.394) 3.932 1.764 ( -0.863 1.113 1.029) 1.744 1.784 ( -0.602 -0.856 0.705) 1.261 1.991 ( 1.120 1.384 0.278) 1.802 2.012 ( 1.640 -0.322 0.080) 1.673 2.083 ( -0.884 2.784 -2.168) 3.638 2.136 ( -1.895 -2.788 -2.838) 4.407 2.264 ( 0.519 2.841 4.137) 5.045 2.323 ( 1.552 -3.161 5.279) 6.345 2.390 ( -0.169 3.752 -1.895) 4.207 2.450 ( -0.092 -2.036 -1.041) 2.289 2.527 ( 2.021 2.621 1.078) 3.481 2.568 ( 1.464 -1.583 1.093) 2.418 2.704 ( -1.187 4.196 -1.967) 4.783 2.761 ( -2.848 -1.162 -3.728) 4.832 2.794 ( 0.748 1.567 -0.207) 1.748 2.829 ( -0.427 -0.974 -1.063) 1.503 2.948 ( 1.536 2.195 2.990) 4.014 2.986 ( 1.807 -1.376 1.659) 2.813 3.041 ( 1.063 0.183 -0.842) 1.368 3.054 ( 1.883 -1.026 1.212) 2.463 3.173 ( 0.749 0.638 0.451) 1.082 3.190 ( 0.383 0.874 -0.953) 1.349 3.216 ( 2.051 -2.633 -1.163) 3.534 3.228 ( 1.577 -1.973 -2.619) 3.638 3.346 ( -4.055 3.221 -1.750) 5.467 3.398 ( -3.492 -1.353 -0.674) 3.805 3.473 ( 1.003 0.075 2.789) 2.965 3.476 ( 0.679 -0.762 1.974) 2.223 4.276 ( -0.386 0.307 5.193) 5.216 4.289 ( -1.105 -1.174 4.289) 4.582 4.471 ( 2.194 2.138 -6.621) 7.296 4.483 ( 2.271 0.920 -7.049) 7.462 5.135 ( -0.100 0.048 0.003) 0.111 5.138 ( -0.173 -0.261 -0.072) 0.321 6.136 ( 2.959 2.496 -0.751) 3.944 6.161 ( 2.671 1.984 -0.766) 3.414 6.181 ( 2.486 0.010 -0.749) 2.596 6.212 ( 2.476 -1.334 -0.711) 2.902 6.450 ( -5.840 -1.522 3.150) 6.808 6.462 ( -5.973 -2.629 2.215) 6.891 ======================= Grid point 31 (20/84) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 74 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.000 3.825 -0.000) 3.825 0.712 ( 0.000 -5.397 0.000) 5.397 0.725 ( -0.000 4.343 -0.000) 4.343 0.820 ( 0.000 -5.989 -0.000) 5.989 0.836 ( -0.000 2.879 0.000) 2.879 0.862 ( 0.000 0.182 0.000) 0.182 0.941 ( 0.000 2.511 0.000) 2.511 1.002 ( 0.000 -2.528 -0.000) 2.528 1.060 ( 0.057 0.075 -1.228) 1.232 1.060 ( -0.057 0.240 1.228) 1.253 1.205 ( 0.000 1.130 0.000) 1.130 1.239 ( 0.000 -2.423 -0.000) 2.423 1.521 ( 0.000 -1.085 0.000) 1.085 1.544 ( 0.000 -3.203 0.000) 3.203 1.766 ( 0.000 1.256 -0.000) 1.256 1.787 ( 0.000 -0.904 0.000) 0.904 2.006 ( 0.000 0.978 -0.000) 0.978 2.026 ( 0.000 -0.652 -0.000) 0.652 2.054 ( 0.000 2.194 0.000) 2.194 2.098 ( 0.000 -2.464 0.000) 2.464 2.322 ( 0.000 4.743 -0.000) 4.743 2.345 ( 0.000 3.080 0.000) 3.080 2.405 ( 0.000 -2.193 0.000) 2.193 2.419 ( -0.000 -3.022 -0.000) 3.022 2.566 ( -0.000 2.002 -0.000) 2.002 2.593 ( 0.000 -0.917 0.000) 0.917 2.684 ( 0.000 1.346 0.000) 1.346 2.686 ( -0.000 1.527 -0.000) 1.527 2.798 ( 0.000 0.969 0.000) 0.969 2.819 ( 0.000 -0.559 0.000) 0.559 2.985 ( -0.000 1.865 -0.000) 1.865 2.997 ( 0.000 0.300 0.000) 0.300 3.050 ( 0.000 0.990 0.000) 0.990 3.099 ( 0.000 -2.210 -0.000) 2.210 3.185 ( 0.000 0.417 -0.000) 0.417 3.197 ( 0.000 -2.101 0.000) 2.101 3.204 ( -0.000 0.595 -0.000) 0.595 3.239 ( -0.000 -2.608 -0.000) 2.608 3.292 ( 0.000 2.651 0.000) 2.651 3.349 ( 0.000 -2.802 0.000) 2.802 3.499 ( -0.000 0.686 0.000) 0.686 3.501 ( 0.000 0.481 -0.000) 0.481 4.315 ( 0.000 -0.051 -0.000) 0.051 4.321 ( -0.000 -0.592 0.000) 0.592 4.434 ( 0.000 1.815 -0.000) 1.815 4.444 ( 0.000 0.757 0.000) 0.757 5.134 ( 0.000 -0.032 0.000) 0.032 5.135 ( 0.000 -0.194 0.000) 0.194 6.173 ( -0.000 2.359 0.000) 2.359 6.174 ( 0.000 2.437 -0.000) 2.437 6.212 ( -0.000 2.693 0.000) 2.693 6.223 ( 0.000 1.439 0.000) 1.439 6.409 ( -0.000 -4.458 0.000) 4.458 6.418 ( 0.000 -5.054 0.000) 5.054 ======================= Grid point 63 (21/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.248 ( 6.119 0.000 12.668) 14.069 0.252 ( 2.097 0.000 12.792) 12.962 0.393 ( -1.203 0.000 19.998) 20.035 0.813 ( -1.996 0.000 -5.849) 6.180 0.836 ( -3.126 0.000 -7.257) 7.901 1.009 ( -1.165 0.000 1.699) 2.060 1.040 ( 3.084 0.000 2.143) 3.756 1.079 ( 0.098 0.000 2.962) 2.964 1.125 ( -0.104 0.000 1.052) 1.058 1.199 ( 1.092 0.000 -2.821) 3.025 1.268 ( -0.040 0.000 -2.090) 2.091 1.293 ( 0.122 0.000 -4.690) 4.692 1.679 ( 0.870 0.000 0.455) 0.982 1.811 ( -1.991 0.000 -2.687) 3.344 1.812 ( -1.837 0.000 1.374) 2.294 1.950 ( 4.254 0.000 -2.745) 5.063 2.002 ( -1.265 0.000 -1.551) 2.001 2.007 ( -1.306 0.000 -0.563) 1.422 2.098 ( -3.703 0.000 1.729) 4.086 2.100 ( 3.868 0.000 1.768) 4.253 2.117 ( -0.248 0.000 -0.485) 0.545 2.175 ( -0.219 0.000 -1.945) 1.957 2.301 ( -0.554 0.000 2.224) 2.292 2.353 ( 2.121 0.000 4.148) 4.659 2.466 ( -5.518 0.000 1.108) 5.628 2.493 ( -0.260 0.000 1.016) 1.048 2.498 ( 1.947 0.000 -2.329) 3.036 2.720 ( 0.025 0.000 -4.012) 4.012 2.774 ( -1.994 0.000 0.566) 2.073 2.870 ( -1.321 0.000 -2.362) 2.706 2.917 ( 1.795 0.000 1.655) 2.441 2.956 ( 0.399 0.000 1.853) 1.896 2.995 ( 0.429 0.000 0.465) 0.632 3.017 ( 0.049 0.000 -0.838) 0.839 3.206 ( -1.912 0.000 -0.204) 1.923 3.211 ( 0.504 0.000 -0.483) 0.698 3.235 ( -0.200 0.000 1.767) 1.778 3.253 ( 3.309 0.000 0.370) 3.330 3.359 ( -5.266 0.000 -0.066) 5.266 3.372 ( -0.985 0.000 -1.237) 1.582 3.462 ( -1.355 0.000 2.601) 2.933 3.638 ( 10.344 0.000 -2.148) 10.565 4.160 ( 0.137 0.000 0.579) 0.595 4.187 ( -0.379 0.000 -0.288) 0.476 4.230 ( -0.400 0.000 5.194) 5.209 4.676 ( 0.847 0.000 -5.588) 5.651 5.134 ( -0.098 0.000 0.436) 0.447 5.172 ( 0.071 0.000 -0.465) 0.470 6.082 ( 0.863 0.000 0.808) 1.182 6.109 ( 0.282 0.000 0.488) 0.564 6.158 ( -0.823 0.000 -0.449) 0.937 6.159 ( 0.555 0.000 -0.769) 0.948 6.415 ( -0.631 0.000 4.756) 4.798 6.779 ( -0.075 0.000 -4.125) 4.126 ======================= Grid point 64 (22/84) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.407 ( -1.819 0.000 12.471) 12.603 0.456 ( 4.582 0.000 11.194) 12.096 0.677 ( -0.499 0.000 -5.057) 5.082 0.690 ( -1.612 0.000 -9.469) 9.605 0.755 ( 9.688 0.000 10.695) 14.430 1.005 ( -1.100 0.000 0.812) 1.367 1.060 ( -1.268 0.000 0.789) 1.494 1.138 ( 0.199 0.000 0.366) 0.416 1.145 ( 1.932 0.000 3.463) 3.965 1.157 ( -0.537 0.000 -4.987) 5.016 1.226 ( -0.482 0.000 -4.442) 4.468 1.239 ( 0.241 0.000 -2.511) 2.523 1.706 ( 0.329 0.000 1.945) 1.973 1.733 ( -1.974 0.000 -3.453) 3.977 1.760 ( -5.097 0.000 0.729) 5.149 1.960 ( 0.891 0.000 -1.486) 1.733 1.971 ( -1.654 0.000 -0.818) 1.845 2.021 ( 0.288 0.000 0.844) 0.892 2.030 ( -3.930 0.000 0.747) 4.000 2.107 ( -0.119 0.000 -1.136) 1.142 2.165 ( 2.144 0.000 -0.096) 2.146 2.183 ( 2.863 0.000 -0.098) 2.864 2.328 ( 1.313 0.000 1.220) 1.792 2.420 ( -1.515 0.000 1.012) 1.822 2.435 ( 1.555 0.000 2.717) 3.130 2.507 ( 1.991 0.000 -1.238) 2.345 2.561 ( 2.781 0.000 3.074) 4.145 2.641 ( -2.045 0.000 -3.663) 4.195 2.812 ( -1.565 0.000 -1.848) 2.422 2.816 ( 3.687 0.000 0.813) 3.775 2.943 ( -1.864 0.000 -0.309) 1.889 2.958 ( 0.996 0.000 1.253) 1.600 3.029 ( 2.668 0.000 1.145) 2.903 3.037 ( 2.381 0.000 -0.854) 2.530 3.166 ( -1.832 0.000 0.583) 1.923 3.196 ( -4.570 0.000 -0.461) 4.593 3.226 ( 0.995 0.000 -0.482) 1.106 3.274 ( -2.725 0.000 -0.364) 2.749 3.324 ( 1.332 0.000 1.625) 2.101 3.366 ( 0.419 0.000 0.748) 0.858 3.456 ( -2.013 0.000 1.534) 2.531 3.687 ( 1.914 0.000 -4.196) 4.612 4.191 ( 2.494 0.000 0.742) 2.602 4.193 ( 1.491 0.000 -0.457) 1.559 4.289 ( -0.680 0.000 6.508) 6.544 4.578 ( -2.971 0.000 -7.073) 7.672 5.138 ( -0.086 0.000 0.572) 0.579 5.165 ( -0.147 0.000 -0.561) 0.580 6.096 ( -0.764 0.000 -0.819) 1.120 6.101 ( -1.683 0.000 0.098) 1.686 6.124 ( -1.800 0.000 -1.111) 2.115 6.159 ( 0.248 0.000 -1.546) 1.566 6.505 ( 3.156 0.000 7.148) 7.813 6.732 ( 0.899 0.000 -3.669) 3.778 ======================= Grid point 65 (23/84) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.487 ( -3.679 0.000 7.708) 8.541 0.561 ( -1.821 0.000 -4.430) 4.790 0.563 ( 2.045 0.000 -8.991) 9.220 0.667 ( 5.261 0.000 8.781) 10.236 0.958 ( -4.589 0.000 -1.438) 4.809 1.016 ( 0.399 0.000 4.197) 4.216 1.075 ( 6.725 0.000 2.814) 7.290 1.078 ( -3.424 0.000 -3.032) 4.573 1.139 ( 4.226 0.000 -4.999) 6.546 1.195 ( 0.954 0.000 -0.058) 0.955 1.199 ( -0.191 0.000 0.101) 0.216 1.233 ( 1.363 0.000 0.138) 1.370 1.651 ( -5.780 0.000 0.803) 5.836 1.671 ( -1.670 0.000 -1.989) 2.597 1.771 ( 2.074 0.000 2.573) 3.305 1.937 ( -1.525 0.000 -0.232) 1.542 1.943 ( -2.500 0.000 2.525) 3.554 1.984 ( -0.035 0.000 -0.938) 0.939 2.057 ( 1.608 0.000 -0.107) 1.611 2.081 ( -0.772 0.000 -1.953) 2.100 2.184 ( 0.939 0.000 -0.320) 0.992 2.258 ( 4.009 0.000 1.723) 4.364 2.352 ( -0.197 0.000 0.715) 0.741 2.398 ( -1.350 0.000 -1.121) 1.755 2.431 ( -1.803 0.000 -1.630) 2.431 2.529 ( 1.195 0.000 -2.593) 2.855 2.617 ( 1.256 0.000 2.348) 2.663 2.636 ( 1.837 0.000 2.929) 3.457 2.792 ( -0.517 0.000 0.988) 1.115 2.873 ( 2.006 0.000 0.079) 2.007 2.906 ( -1.572 0.000 -1.027) 1.878 2.978 ( -1.118 0.000 0.291) 1.156 3.047 ( 1.019 0.000 -1.943) 2.194 3.091 ( 2.485 0.000 -0.075) 2.487 3.125 ( 0.529 0.000 -0.296) 0.606 3.160 ( -1.453 0.000 1.185) 1.875 3.238 ( 0.144 0.000 0.256) 0.294 3.253 ( 1.637 0.000 0.179) 1.647 3.359 ( -1.736 0.000 -0.799) 1.911 3.365 ( 1.498 0.000 1.170) 1.901 3.451 ( -1.006 0.000 2.355) 2.561 3.639 ( -1.678 0.000 -3.688) 4.052 4.223 ( 2.396 0.000 -0.287) 2.413 4.252 ( 3.323 0.000 0.783) 3.414 4.354 ( -0.237 0.000 5.291) 5.296 4.439 ( -2.995 0.000 -6.575) 7.225 5.143 ( -0.119 0.000 0.537) 0.550 5.155 ( -0.172 0.000 -0.490) 0.520 6.044 ( -3.591 0.000 -0.477) 3.622 6.062 ( -2.211 0.000 -0.440) 2.255 6.089 ( -0.930 0.000 -0.607) 1.111 6.137 ( -0.851 0.000 -0.739) 1.127 6.653 ( 3.689 0.000 6.036) 7.074 6.714 ( 1.803 0.000 -3.673) 4.091 ======================= Grid point 66 (24/84) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -0.092 0.000 -1.388) 1.391 0.549 ( -4.254 0.000 7.292) 8.442 0.579 ( 8.230 0.000 -2.488) 8.598 0.821 ( -0.897 0.000 1.326) 1.601 0.877 ( -0.582 0.000 5.255) 5.287 0.962 ( -4.548 0.000 -4.455) 6.366 1.004 ( -1.332 0.000 -0.600) 1.461 1.155 ( 3.377 0.000 -4.520) 5.642 1.183 ( 1.037 0.000 0.299) 1.079 1.198 ( -0.888 0.000 1.061) 1.383 1.200 ( 1.787 0.000 -1.415) 2.280 1.275 ( 2.134 0.000 0.259) 2.150 1.595 ( -1.872 0.000 0.905) 2.079 1.631 ( -1.101 0.000 -0.894) 1.418 1.836 ( 1.444 0.000 1.945) 2.422 1.919 ( -0.897 0.000 0.755) 1.172 1.950 ( 0.306 0.000 -1.863) 1.888 1.980 ( -0.487 0.000 3.395) 3.430 2.044 ( -0.133 0.000 -2.045) 2.050 2.076 ( 0.577 0.000 0.076) 0.582 2.198 ( 0.637 0.000 0.072) 0.641 2.315 ( -0.373 0.000 -0.002) 0.373 2.341 ( -1.053 0.000 0.417) 1.133 2.363 ( -0.401 0.000 -1.629) 1.678 2.384 ( -0.517 0.000 0.197) 0.554 2.516 ( 2.034 0.000 -3.311) 3.886 2.669 ( 0.056 0.000 2.114) 2.114 2.699 ( 0.752 0.000 3.984) 4.055 2.784 ( -1.970 0.000 0.165) 1.977 2.879 ( -0.557 0.000 0.452) 0.718 2.880 ( 0.601 0.000 -2.080) 2.165 2.951 ( -1.465 0.000 2.059) 2.527 3.044 ( 1.545 0.000 -2.021) 2.544 3.139 ( -1.877 0.000 0.939) 2.098 3.139 ( 2.568 0.000 1.314) 2.885 3.161 ( 2.714 0.000 -2.605) 3.761 3.235 ( -1.198 0.000 0.644) 1.360 3.304 ( 2.374 0.000 0.218) 2.384 3.315 ( -1.174 0.000 -0.829) 1.437 3.416 ( 3.602 0.000 1.038) 3.749 3.464 ( -1.237 0.000 2.555) 2.838 3.553 ( -3.443 0.000 -3.227) 4.719 4.257 ( 1.624 0.000 -0.088) 1.626 4.307 ( 1.902 0.000 0.455) 1.956 4.353 ( 0.438 0.000 -3.608) 3.635 4.391 ( -0.932 0.000 2.257) 2.442 5.146 ( -0.222 0.000 0.292) 0.367 5.149 ( 0.009 0.000 -0.317) 0.317 5.987 ( -2.497 0.000 0.129) 2.500 6.030 ( -1.604 0.000 0.606) 1.715 6.087 ( -0.424 0.000 2.522) 2.557 6.126 ( -0.305 0.000 1.133) 1.173 6.700 ( 2.020 0.000 -4.213) 4.672 6.734 ( 0.453 0.000 0.912) 1.018 ======================= Grid point 67 (25/84) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.488 ( 0.190 0.000 3.998) 4.003 0.565 ( -2.710 0.000 6.599) 7.134 0.708 ( 1.267 0.000 -0.527) 1.372 0.792 ( -0.974 0.000 -1.892) 2.127 0.808 ( -1.271 0.000 3.864) 4.067 0.966 ( -0.713 0.000 -2.939) 3.024 1.016 ( 3.739 0.000 4.736) 6.034 1.141 ( 1.598 0.000 -4.373) 4.656 1.170 ( -0.656 0.000 -1.972) 2.078 1.193 ( -0.548 0.000 0.139) 0.565 1.218 ( 1.690 0.000 -0.649) 1.810 1.267 ( -2.000 0.000 -2.750) 3.401 1.593 ( -0.221 0.000 0.887) 0.914 1.611 ( 0.316 0.000 -0.714) 0.781 1.839 ( -2.094 0.000 -0.167) 2.100 1.906 ( -1.394 0.000 -2.489) 2.853 1.919 ( -0.261 0.000 1.136) 1.165 2.027 ( 0.720 0.000 2.456) 2.559 2.061 ( 2.650 0.000 0.830) 2.777 2.077 ( -0.640 0.000 0.333) 0.721 2.193 ( -0.376 0.000 -1.069) 1.134 2.283 ( -0.321 0.000 -2.134) 2.158 2.331 ( -0.625 0.000 -0.328) 0.706 2.377 ( 2.070 0.000 2.173) 3.001 2.399 ( 0.253 0.000 1.038) 1.068 2.516 ( 1.356 0.000 -2.402) 2.759 2.661 ( -1.288 0.000 -0.211) 1.305 2.703 ( -3.543 0.000 -0.210) 3.549 2.782 ( 0.523 0.000 2.796) 2.844 2.881 ( 1.044 0.000 -0.276) 1.080 2.893 ( 0.016 0.000 2.148) 2.148 2.962 ( -0.773 0.000 2.157) 2.292 3.051 ( 1.855 0.000 -1.675) 2.499 3.128 ( -0.632 0.000 1.049) 1.225 3.134 ( -0.843 0.000 -3.035) 3.150 3.186 ( 0.833 0.000 -1.817) 1.999 3.216 ( -0.240 0.000 1.135) 1.160 3.316 ( -0.529 0.000 -0.628) 0.822 3.322 ( 1.065 0.000 1.504) 1.843 3.443 ( -3.494 0.000 -2.187) 4.122 3.463 ( -2.127 0.000 1.868) 2.831 3.522 ( 5.235 0.000 0.520) 5.261 4.277 ( 0.366 0.000 0.561) 0.670 4.318 ( -0.981 0.000 -0.026) 0.981 4.364 ( 3.530 0.000 -0.596) 3.580 4.372 ( -2.159 0.000 -0.920) 2.347 5.143 ( -0.315 0.000 0.016) 0.315 5.149 ( 0.296 0.000 -0.128) 0.322 5.973 ( 0.288 0.000 0.830) 0.879 6.019 ( -0.278 0.000 0.133) 0.308 6.135 ( -0.258 0.000 6.233) 6.239 6.161 ( 0.329 0.000 4.730) 4.742 6.682 ( 2.389 0.000 -5.138) 5.667 6.689 ( -2.800 0.000 -4.707) 5.477 ======================= Grid point 68 (26/84) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.500 ( -7.685 0.000 8.134) 11.190 0.556 ( -8.049 0.000 -6.886) 10.592 0.651 ( 4.344 0.000 4.813) 6.483 0.789 ( 0.171 0.000 5.896) 5.899 0.895 ( -2.835 0.000 -6.180) 6.799 0.982 ( 4.129 0.000 6.201) 7.450 1.094 ( -4.296 0.000 -4.039) 5.897 1.098 ( 3.105 0.000 -0.475) 3.141 1.118 ( 1.275 0.000 -2.671) 2.960 1.170 ( -2.784 0.000 -3.694) 4.626 1.197 ( 1.346 0.000 0.137) 1.353 1.245 ( 1.587 0.000 0.292) 1.614 1.603 ( 0.837 0.000 0.392) 0.924 1.640 ( 3.407 0.000 0.367) 3.427 1.795 ( -2.893 0.000 1.008) 3.064 1.864 ( -0.599 0.000 -1.220) 1.359 1.945 ( 0.998 0.000 1.903) 2.148 2.050 ( 1.063 0.000 -0.928) 1.411 2.060 ( -1.994 0.000 0.431) 2.040 2.113 ( 1.365 0.000 1.590) 2.095 2.175 ( -0.161 0.000 -0.811) 0.827 2.249 ( -0.872 0.000 -2.341) 2.498 2.326 ( -0.159 0.000 0.634) 0.654 2.427 ( 2.549 0.000 -0.276) 2.564 2.445 ( 1.067 0.000 3.768) 3.916 2.473 ( -1.799 0.000 -4.381) 4.736 2.625 ( -3.700 0.000 -2.462) 4.445 2.664 ( 0.563 0.000 2.424) 2.489 2.826 ( 0.065 0.000 4.077) 4.078 2.897 ( 0.098 0.000 1.165) 1.170 2.919 ( -0.061 0.000 1.660) 1.661 2.960 ( -1.023 0.000 -1.305) 1.658 3.069 ( 1.957 0.000 -0.694) 2.077 3.085 ( -0.658 0.000 -3.289) 3.354 3.138 ( 0.080 0.000 0.801) 0.805 3.144 ( -1.404 0.000 -0.454) 1.475 3.248 ( 0.539 0.000 1.499) 1.592 3.280 ( -2.179 0.000 -0.708) 2.291 3.362 ( 0.706 0.000 1.749) 1.886 3.368 ( -2.407 0.000 -1.407) 2.788 3.440 ( -1.884 0.000 0.694) 2.008 3.616 ( 5.103 0.000 -0.585) 5.137 4.274 ( -1.703 0.000 0.837) 1.898 4.277 ( -3.205 0.000 -0.514) 3.246 4.309 ( -2.855 0.000 -2.047) 3.513 4.452 ( 6.337 0.000 0.897) 6.400 5.137 ( -0.299 0.000 -0.077) 0.308 5.155 ( 0.532 0.000 -0.009) 0.532 6.013 ( 2.800 0.000 1.153) 3.028 6.026 ( 1.529 0.000 -0.674) 1.671 6.213 ( -0.899 0.000 7.944) 7.995 6.237 ( -0.156 0.000 7.170) 7.171 6.544 ( -4.884 0.000 -8.010) 9.381 6.660 ( 2.679 0.000 -5.863) 6.446 ======================= Grid point 69 (27/84) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( -9.238 0.000 -5.247) 10.624 0.421 ( -11.933 0.000 6.202) 13.448 0.656 ( -12.996 0.000 -8.380) 15.464 0.799 ( 4.216 0.000 5.677) 7.071 0.888 ( 1.479 0.000 6.546) 6.711 0.995 ( -2.147 0.000 -1.762) 2.777 1.023 ( 0.162 0.000 -2.261) 2.267 1.084 ( -2.502 0.000 -3.396) 4.218 1.115 ( 0.254 0.000 -0.429) 0.499 1.178 ( 3.168 0.000 0.510) 3.209 1.241 ( 4.283 0.000 -0.123) 4.285 1.272 ( 1.147 0.000 0.150) 1.157 1.635 ( 2.610 0.000 -0.461) 2.650 1.730 ( 5.967 0.000 0.843) 6.026 1.776 ( -1.884 0.000 2.840) 3.408 1.862 ( 1.401 0.000 -0.649) 1.544 1.988 ( 1.044 0.000 2.056) 2.306 2.023 ( -0.448 0.000 -2.300) 2.343 2.051 ( 0.877 0.000 -1.742) 1.950 2.142 ( 0.062 0.000 1.107) 1.109 2.177 ( -0.644 0.000 3.073) 3.140 2.208 ( -0.876 0.000 -1.060) 1.375 2.331 ( -1.658 0.000 1.836) 2.474 2.373 ( -2.910 0.000 -4.382) 5.260 2.469 ( 3.462 0.000 -1.956) 3.976 2.490 ( -0.818 0.000 1.821) 1.996 2.522 ( -4.069 0.000 -1.276) 4.264 2.722 ( 0.918 0.000 3.954) 4.059 2.873 ( -3.752 0.000 -0.921) 3.864 2.879 ( 0.545 0.000 3.113) 3.161 2.926 ( -0.832 0.000 1.045) 1.336 2.935 ( 0.819 0.000 -0.484) 0.951 3.010 ( -2.251 0.000 -3.922) 4.522 3.072 ( -0.947 0.000 -1.806) 2.039 3.160 ( 1.990 0.000 1.468) 2.472 3.163 ( 1.688 0.000 1.317) 2.140 3.253 ( -1.283 0.000 0.180) 1.296 3.257 ( -0.534 0.000 0.787) 0.951 3.321 ( -1.601 0.000 -0.978) 1.876 3.377 ( -0.482 0.000 1.536) 1.610 3.436 ( 0.033 0.000 0.964) 0.965 3.667 ( 3.497 0.000 -3.649) 5.054 4.214 ( -3.150 0.000 -0.364) 3.171 4.238 ( -2.812 0.000 -1.458) 3.168 4.245 ( -2.637 0.000 0.752) 2.743 4.578 ( 7.210 0.000 -0.004) 7.210 5.132 ( -0.194 0.000 0.042) 0.198 5.165 ( 0.580 0.000 -0.029) 0.581 6.052 ( 2.460 0.000 -0.700) 2.557 6.081 ( 3.439 0.000 0.813) 3.534 6.276 ( -1.013 0.000 4.430) 4.545 6.300 ( -4.396 0.000 6.259) 7.649 6.372 ( -1.845 0.000 -6.819) 7.064 6.641 ( 1.919 0.000 -3.205) 3.735 ======================= Grid point 70 (28/84) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.164 ( -7.385 0.000 4.692) 8.750 0.202 ( -14.366 0.000 -5.482) 15.376 0.382 ( -16.726 0.000 11.678) 20.399 0.901 ( -2.998 0.000 -1.886) 3.542 0.933 ( 3.997 0.000 4.062) 5.699 0.957 ( -2.056 0.000 -5.200) 5.592 0.990 ( 0.752 0.000 2.392) 2.507 1.058 ( 0.393 0.000 0.450) 0.597 1.118 ( -0.225 0.000 0.790) 0.821 1.199 ( 1.488 0.000 -1.509) 2.119 1.282 ( 0.464 0.000 -0.848) 0.967 1.305 ( 3.336 0.000 -1.966) 3.872 1.663 ( 1.510 0.000 -0.748) 1.685 1.797 ( -0.031 0.000 2.746) 2.746 1.824 ( 2.619 0.000 0.074) 2.620 1.890 ( 4.998 0.000 -2.724) 5.692 2.016 ( 2.238 0.000 -0.566) 2.308 2.017 ( 0.022 0.000 0.928) 0.928 2.046 ( 1.121 0.000 -1.373) 1.772 2.133 ( -0.896 0.000 -0.575) 1.065 2.206 ( -0.004 0.000 -0.510) 0.510 2.239 ( -3.393 0.000 6.133) 7.009 2.251 ( -5.281 0.000 -1.476) 5.483 2.302 ( -0.603 0.000 -0.293) 0.671 2.445 ( 0.631 0.000 -0.293) 0.696 2.493 ( 2.339 0.000 -2.414) 3.361 2.555 ( 0.094 0.000 6.076) 6.077 2.743 ( -1.272 0.000 -0.114) 1.278 2.833 ( -1.749 0.000 1.099) 2.066 2.881 ( -0.541 0.000 -2.001) 2.073 2.895 ( -1.763 0.000 -1.744) 2.480 2.934 ( -1.623 0.000 3.258) 3.640 2.983 ( 1.038 0.000 -0.234) 1.064 3.027 ( -0.753 0.000 -1.355) 1.550 3.199 ( 1.511 0.000 -2.567) 2.979 3.203 ( 1.148 0.000 1.262) 1.707 3.224 ( -0.900 0.000 -0.908) 1.278 3.270 ( -0.982 0.000 -0.154) 0.994 3.315 ( 2.491 0.000 5.155) 5.725 3.391 ( 0.146 0.000 0.174) 0.227 3.448 ( -0.884 0.000 2.389) 2.547 3.618 ( -1.924 0.000 -8.404) 8.621 4.171 ( -2.141 0.000 0.671) 2.244 4.193 ( -0.972 0.000 0.577) 1.131 4.209 ( -2.053 0.000 0.266) 2.070 4.672 ( 5.246 0.000 -2.715) 5.906 5.131 ( -0.111 0.000 0.247) 0.271 5.172 ( 0.384 0.000 -0.223) 0.444 6.086 ( 1.949 0.000 -0.137) 1.954 6.130 ( 1.475 0.000 -1.022) 1.795 6.200 ( -3.858 0.000 -2.329) 4.507 6.227 ( -3.281 0.000 -8.803) 9.394 6.381 ( -0.604 0.000 3.800) 3.848 6.701 ( 3.402 0.000 8.110) 8.794 ======================= Grid point 71 (29/84) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.231 ( 1.126 5.071 6.075) 7.993 0.301 ( 0.393 4.224 10.709) 11.519 0.567 ( 2.053 11.820 14.269) 18.642 0.784 ( -3.667 -2.246 -6.987) 8.204 0.831 ( -0.494 -0.954 -5.666) 5.767 1.013 ( -0.720 -0.109 1.884) 2.020 1.021 ( 1.833 -1.210 0.704) 2.307 1.077 ( 0.278 -1.031 2.052) 2.313 1.104 ( -0.208 -0.649 1.141) 1.329 1.175 ( -0.102 -7.388 -1.586) 7.557 1.229 ( 0.806 2.139 -1.543) 2.758 1.280 ( -0.088 -2.019 -3.516) 4.056 1.713 ( 0.769 2.092 0.417) 2.268 1.830 ( -1.061 1.473 -0.277) 1.836 1.853 ( -1.513 2.801 -1.279) 3.430 1.907 ( -1.230 -5.052 -0.343) 5.211 1.914 ( -1.015 -6.996 -1.819) 7.300 1.949 ( 4.082 -0.780 -1.904) 4.571 2.093 ( -3.614 -0.443 1.664) 4.003 2.123 ( 1.063 -0.062 -0.122) 1.071 2.164 ( 3.013 3.595 1.916) 5.067 2.245 ( 0.082 3.646 -1.235) 3.851 2.273 ( 1.051 -0.056 1.419) 1.767 2.363 ( -3.331 1.510 2.840) 4.631 2.472 ( -0.389 1.567 0.320) 1.646 2.478 ( 1.301 0.058 2.350) 2.686 2.553 ( 1.043 3.981 -0.602) 4.159 2.722 ( -2.378 -1.348 -3.325) 4.304 2.781 ( -1.487 0.564 1.094) 1.930 2.861 ( 0.874 -0.981 -0.267) 1.341 2.906 ( -0.072 -0.053 0.948) 0.952 2.989 ( -0.174 1.651 0.637) 1.779 2.993 ( 0.681 0.743 -0.651) 1.201 3.000 ( 0.313 -1.438 -0.764) 1.658 3.191 ( -1.711 -1.331 -0.031) 2.168 3.206 ( -0.261 -1.011 -1.098) 1.515 3.227 ( 0.559 -0.122 0.588) 0.821 3.234 ( 2.580 -1.412 0.566) 2.995 3.316 ( -1.473 -1.425 2.037) 2.889 3.396 ( 1.432 -0.357 2.811) 3.175 3.435 ( -3.102 0.804 -0.742) 3.289 3.679 ( 3.523 0.660 -3.671) 5.131 4.180 ( 0.212 2.044 0.898) 2.242 4.212 ( 0.725 2.370 -0.155) 2.483 4.229 ( -0.580 1.057 3.462) 3.666 4.622 ( 0.612 -5.200 -4.839) 7.130 5.133 ( -0.077 -0.021 0.396) 0.404 5.168 ( 0.062 -0.427 -0.392) 0.583 6.065 ( 0.425 -1.875 0.695) 2.045 6.131 ( 0.222 -2.697 -0.792) 2.819 6.149 ( 0.364 2.127 -4.837) 5.296 6.174 ( -0.551 1.455 -3.263) 3.615 6.443 ( -0.429 2.986 6.721) 7.367 6.765 ( -0.298 -1.177 0.984) 1.563 ======================= Grid point 72 (30/84) ======================= q-point: ( 0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 2.219 -0.322 9.753) 10.007 0.467 ( 4.091 1.528 10.359) 11.242 0.629 ( -1.857 -2.212 -8.725) 9.191 0.746 ( -0.431 2.531 -7.010) 7.465 0.829 ( 7.725 6.197 10.836) 14.679 0.989 ( -1.904 -1.589 0.294) 2.497 1.053 ( 0.207 -0.988 0.379) 1.078 1.085 ( -0.145 -4.858 -1.242) 5.016 1.131 ( 0.783 -0.262 2.571) 2.701 1.157 ( -0.065 -4.859 -2.134) 5.307 1.198 ( -1.115 1.852 -1.339) 2.543 1.223 ( -0.821 -0.930 -3.853) 4.048 1.727 ( -2.548 0.552 1.306) 2.916 1.782 ( -2.968 2.994 -2.037) 4.683 1.791 ( -1.214 4.291 0.204) 4.464 1.871 ( -1.894 -5.604 -0.451) 5.933 1.892 ( -0.371 -6.964 -0.341) 6.982 1.985 ( 0.915 -1.517 -0.241) 1.788 2.034 ( -3.385 0.354 0.258) 3.413 2.166 ( 3.664 1.519 0.080) 3.967 2.217 ( -0.110 4.407 -1.272) 4.588 2.229 ( 1.962 3.857 -0.571) 4.365 2.335 ( 2.828 -0.878 2.001) 3.574 2.367 ( -0.319 -0.537 2.760) 2.830 2.460 ( -0.633 0.840 -1.435) 1.779 2.526 ( 1.122 0.901 0.604) 1.561 2.589 ( 1.277 3.219 1.609) 3.819 2.651 ( -0.235 0.714 -1.140) 1.366 2.804 ( 1.269 -0.265 0.614) 1.434 2.837 ( -0.246 1.715 -1.448) 2.258 2.942 ( 0.746 -0.722 1.923) 2.185 2.955 ( -1.448 0.158 -1.087) 1.818 3.008 ( 2.545 -1.951 0.446) 3.238 3.030 ( 2.256 -0.591 -1.386) 2.713 3.153 ( -1.877 -1.027 0.544) 2.208 3.198 ( -2.781 -0.068 -0.794) 2.893 3.215 ( 0.721 -0.590 -0.136) 0.942 3.281 ( 0.621 -0.486 -0.292) 0.841 3.325 ( -0.366 0.744 1.540) 1.749 3.370 ( -0.446 0.622 -0.519) 0.925 3.453 ( -0.868 -0.228 3.338) 3.457 3.666 ( 0.384 -2.070 -3.732) 4.285 4.212 ( 2.338 2.264 0.826) 3.358 4.229 ( 1.790 3.028 -0.514) 3.555 4.286 ( 0.595 0.377 4.851) 4.902 4.535 ( -2.511 -4.043 -6.355) 7.939 5.138 ( -0.084 -0.057 0.514) 0.524 5.161 ( -0.142 -0.341 -0.488) 0.611 6.085 ( -0.368 -0.385 -2.755) 2.806 6.098 ( -0.869 -1.895 -2.437) 3.207 6.122 ( 0.470 0.515 0.123) 0.708 6.163 ( 1.615 -0.284 -0.719) 1.790 6.527 ( 0.603 2.355 7.473) 7.858 6.723 ( -2.190 -0.673 -1.619) 2.806 ======================= Grid point 73 (31/84) ======================= q-point: ( 0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( -0.320 1.102 4.251) 4.403 0.547 ( 1.189 0.724 -1.818) 2.290 0.614 ( 0.664 2.568 -3.809) 4.642 0.690 ( 3.828 2.069 4.628) 6.353 0.943 ( -3.332 -1.878 -1.213) 4.013 1.007 ( -0.301 -1.152 2.848) 3.086 1.057 ( -2.584 -2.367 -1.083) 3.668 1.088 ( 1.158 -3.210 -4.275) 5.470 1.105 ( 4.927 1.416 1.994) 5.500 1.168 ( 1.408 -3.443 -2.120) 4.281 1.186 ( -0.108 -1.420 0.291) 1.453 1.204 ( 1.152 -0.155 1.523) 1.916 1.654 ( -4.951 0.290 0.708) 5.010 1.701 ( -3.212 2.196 -1.857) 4.311 1.828 ( 1.904 3.393 1.932) 4.344 1.844 ( -1.510 -6.182 0.602) 6.392 1.893 ( 0.132 -3.999 0.953) 4.113 1.973 ( -1.286 -0.457 1.820) 2.275 2.019 ( 1.185 -0.241 -2.205) 2.515 2.177 ( -0.743 3.808 -2.424) 4.574 2.221 ( 0.178 2.799 0.493) 2.848 2.263 ( 3.506 0.110 -0.596) 3.558 2.378 ( 0.409 2.314 1.182) 2.630 2.385 ( -0.881 0.722 -0.771) 1.376 2.447 ( 0.034 -0.237 1.074) 1.100 2.545 ( 1.179 1.165 -0.386) 1.702 2.566 ( -0.003 0.441 -1.197) 1.275 2.724 ( 2.580 3.755 3.902) 5.999 2.782 ( -2.532 0.121 0.114) 2.537 2.857 ( 1.222 -1.639 -0.206) 2.055 2.919 ( -1.027 0.952 -0.595) 1.521 2.973 ( 0.279 -0.435 -0.468) 0.698 3.033 ( 1.364 -1.155 -1.226) 2.168 3.070 ( 3.198 -2.045 -0.051) 3.796 3.131 ( -1.329 1.055 -0.959) 1.949 3.161 ( 0.502 -0.085 1.458) 1.544 3.236 ( 1.513 -0.447 0.319) 1.610 3.264 ( -0.099 1.038 -1.009) 1.451 3.347 ( 0.779 -1.029 0.166) 1.301 3.371 ( -0.587 0.419 0.993) 1.227 3.465 ( -1.480 1.340 2.632) 3.304 3.613 ( -1.672 -2.566 -3.172) 4.409 4.258 ( 2.455 3.336 -0.686) 4.198 4.272 ( 3.042 1.931 1.073) 3.759 4.349 ( 0.272 -0.306 4.118) 4.138 4.413 ( -2.430 -2.304 -5.938) 6.817 5.142 ( -0.140 -0.155 0.460) 0.505 5.153 ( -0.174 -0.257 -0.427) 0.528 6.035 ( -1.300 0.246 -1.294) 1.850 6.070 ( -0.094 -0.664 -0.866) 1.095 6.116 ( -1.759 3.189 -0.004) 3.642 6.168 ( -0.434 2.076 -0.325) 2.145 6.629 ( 1.538 -2.176 5.523) 6.132 6.677 ( -0.126 -3.304 -2.730) 4.288 ======================= Grid point 74 (32/84) ======================= q-point: ( 0.38 0.14 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( 0.604 4.723 -1.202) 4.911 0.564 ( -3.016 1.565 4.698) 5.798 0.614 ( 7.380 3.388 -0.437) 8.133 0.825 ( -0.633 0.070 1.540) 1.666 0.875 ( -0.409 -0.331 3.899) 3.935 0.950 ( -4.314 -1.149 -4.184) 6.119 0.999 ( -1.144 -0.365 0.069) 1.203 1.093 ( 2.424 -6.757 -2.537) 7.614 1.148 ( -1.237 -2.972 0.229) 3.228 1.168 ( 1.078 -1.893 -0.938) 2.372 1.183 ( -0.156 -0.907 -0.462) 1.030 1.274 ( 3.206 -0.363 0.371) 3.248 1.608 ( -1.645 0.711 0.822) 1.972 1.642 ( -1.604 0.710 -1.164) 2.106 1.833 ( -1.093 -5.554 1.379) 5.826 1.877 ( 1.646 -1.094 0.457) 2.029 1.912 ( 0.151 0.193 0.903) 0.936 1.990 ( 0.885 -0.864 -1.356) 1.836 2.008 ( 0.012 1.236 1.358) 1.837 2.144 ( 0.023 2.206 -1.342) 2.583 2.202 ( -1.321 1.101 -1.158) 2.073 2.303 ( 0.648 -1.872 1.327) 2.384 2.355 ( 0.746 1.865 -2.215) 2.990 2.402 ( -0.407 4.516 1.015) 4.646 2.431 ( -1.194 3.785 -0.199) 3.974 2.538 ( 1.412 2.055 -2.964) 3.873 2.628 ( 2.761 -1.849 4.146) 5.313 2.716 ( -3.652 -0.657 -0.348) 3.727 2.797 ( 0.317 1.615 2.340) 2.861 2.856 ( -1.323 -1.928 0.255) 2.352 2.899 ( 0.477 1.452 -1.925) 2.458 2.963 ( -0.087 1.028 1.372) 1.717 3.049 ( 1.383 0.605 -1.211) 1.936 3.098 ( 0.458 -2.202 -0.289) 2.268 3.145 ( 2.143 0.322 1.073) 2.418 3.185 ( 1.019 0.884 -1.025) 1.694 3.239 ( -1.695 0.481 0.418) 1.810 3.288 ( 2.575 -1.283 -0.164) 2.882 3.342 ( 0.129 1.589 -0.479) 1.665 3.394 ( 1.360 -2.196 1.426) 2.950 3.471 ( -0.865 0.987 1.974) 2.371 3.537 ( -3.073 -1.539 -2.721) 4.384 4.280 ( 1.189 1.880 -1.668) 2.780 4.318 ( 1.744 0.585 -2.134) 2.817 4.350 ( 0.309 0.436 0.366) 0.648 4.392 ( 0.116 0.406 2.946) 2.976 5.143 ( -0.182 -0.234 0.241) 0.382 5.147 ( -0.058 -0.233 -0.262) 0.355 6.018 ( -0.709 2.689 0.878) 2.916 6.061 ( -1.178 2.939 -0.062) 3.167 6.100 ( -0.211 1.522 2.539) 2.967 6.149 ( -1.389 2.391 0.557) 2.821 6.650 ( 1.264 -4.976 -3.810) 6.393 6.682 ( -0.044 -5.094 0.523) 5.121 ======================= Grid point 75 (33/84) ======================= q-point: (-0.50 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.988 4.099 1.984) 4.660 0.576 ( -2.551 1.157 5.433) 6.113 0.726 ( -0.884 1.514 -0.010) 1.753 0.794 ( -3.566 -0.192 -2.920) 4.613 0.826 ( 2.854 1.784 4.358) 5.506 0.951 ( 0.419 -1.543 -1.543) 2.222 1.014 ( 1.946 -0.122 3.274) 3.811 1.096 ( 1.486 -5.785 -2.944) 6.659 1.132 ( 0.024 -4.027 0.047) 4.027 1.163 ( 0.784 -2.665 -1.177) 3.017 1.180 ( -0.423 -0.442 -0.354) 0.706 1.274 ( -1.736 0.286 -2.916) 3.406 1.602 ( -0.304 0.286 0.480) 0.636 1.621 ( 0.472 0.312 -0.538) 0.781 1.837 ( -0.507 -5.299 1.382) 5.499 1.879 ( -0.372 -3.168 -1.464) 3.509 1.897 ( -2.247 3.874 -0.378) 4.495 1.974 ( 0.080 -2.138 -1.285) 2.495 2.048 ( 0.800 1.076 2.045) 2.445 2.162 ( 2.475 2.044 0.496) 3.248 2.175 ( 0.164 0.081 -0.577) 0.606 2.329 ( -0.782 0.184 0.172) 0.822 2.356 ( 0.501 1.854 -0.330) 1.949 2.369 ( 0.031 2.880 -0.248) 2.891 2.435 ( 0.156 4.013 0.414) 4.037 2.521 ( 0.231 0.376 -3.075) 3.106 2.647 ( -1.945 -0.141 0.210) 1.961 2.735 ( 1.220 0.379 4.531) 4.707 2.773 ( -2.151 0.983 -1.561) 2.834 2.864 ( 0.505 -1.209 1.810) 2.234 2.899 ( 0.305 0.040 0.573) 0.650 2.986 ( -0.004 1.843 1.510) 2.382 3.055 ( 1.282 0.624 -1.576) 2.126 3.091 ( -0.477 -1.726 -0.552) 1.874 3.166 ( -0.448 0.997 -0.959) 1.454 3.187 ( -0.138 -0.002 -1.775) 1.781 3.217 ( 0.393 0.546 1.814) 1.934 3.323 ( 1.257 0.127 1.085) 1.665 3.334 ( -1.002 1.018 -1.034) 1.763 3.426 ( -1.537 -2.407 1.929) 3.446 3.448 ( -2.764 -0.406 -1.844) 3.348 3.509 ( 3.777 -1.264 0.154) 3.986 4.267 ( -0.255 -0.889 -1.768) 1.995 4.308 ( 1.259 -1.916 -2.821) 3.635 4.379 ( -0.371 3.744 2.953) 4.783 4.425 ( 0.240 3.840 2.077) 4.372 5.141 ( -0.279 -0.197 0.025) 0.343 5.146 ( 0.269 -0.254 -0.097) 0.382 6.019 ( 0.158 4.451 0.698) 4.509 6.054 ( 0.139 3.381 0.297) 3.396 6.144 ( -0.792 0.969 5.243) 5.390 6.168 ( 0.656 0.739 4.362) 4.473 6.623 ( 1.119 -5.822 -5.191) 7.880 6.638 ( -1.605 -5.146 -4.480) 7.009 ======================= Grid point 76 (34/84) ======================= q-point: (-0.38 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -6.662 2.682 3.930) 8.187 0.567 ( -7.204 1.416 -2.924) 7.903 0.656 ( 2.838 0.523 3.423) 4.477 0.794 ( 0.877 0.416 5.130) 5.221 0.895 ( -1.080 -0.454 -4.421) 4.574 0.983 ( 1.736 -0.968 4.341) 4.775 1.061 ( -0.550 -2.545 -0.619) 2.677 1.084 ( 4.621 -2.500 -4.181) 6.714 1.132 ( -2.221 1.524 -0.852) 2.825 1.162 ( -1.551 -0.808 -2.225) 2.830 1.177 ( 0.461 -1.889 0.257) 1.961 1.180 ( 0.250 -3.294 -0.529) 3.345 1.612 ( 0.874 -0.058 0.525) 1.022 1.650 ( 3.450 0.265 0.067) 3.461 1.844 ( -1.022 1.294 -0.008) 1.649 1.854 ( -0.839 -2.840 0.245) 2.971 1.857 ( -0.922 -1.595 0.665) 1.959 1.959 ( -0.638 -3.946 -0.351) 4.013 2.073 ( 0.396 0.525 0.753) 1.000 2.166 ( 1.242 0.855 -2.882) 3.253 2.233 ( 1.282 4.621 3.018) 5.667 2.277 ( -1.556 1.204 -2.506) 3.186 2.344 ( -0.540 2.111 0.131) 2.183 2.408 ( 0.636 -1.923 1.540) 2.544 2.461 ( 0.335 2.006 0.376) 2.068 2.465 ( 0.164 0.631 -3.127) 3.194 2.638 ( -1.796 2.028 0.854) 2.840 2.699 ( -1.813 2.082 -1.040) 2.951 2.818 ( 1.042 -0.047 4.410) 4.532 2.882 ( -0.123 -0.991 1.162) 1.532 2.927 ( 0.619 0.104 2.049) 2.143 2.964 ( -2.332 -0.126 -2.489) 3.413 3.059 ( 0.491 -0.721 -1.892) 2.084 3.078 ( 0.796 -0.301 -1.203) 1.474 3.150 ( -0.547 0.910 0.535) 1.189 3.162 ( -0.515 1.579 0.725) 1.812 3.259 ( 0.634 1.000 1.519) 1.926 3.281 ( -2.648 0.118 -1.222) 2.919 3.357 ( 0.731 -0.342 1.616) 1.806 3.375 ( -2.675 0.487 -1.387) 3.053 3.421 ( -1.021 -1.737 0.482) 2.071 3.587 ( 4.739 -2.758 -0.589) 5.514 4.225 ( -1.658 -2.024 -1.868) 3.215 4.293 ( -0.747 -0.409 -1.367) 1.610 4.393 ( -2.007 6.557 1.893) 7.114 4.465 ( 2.649 1.970 1.719) 3.722 5.136 ( -0.244 -0.085 -0.051) 0.263 5.152 ( 0.482 -0.308 -0.014) 0.572 6.056 ( 2.716 4.116 1.196) 5.074 6.069 ( 1.850 3.982 -0.336) 4.403 6.207 ( -0.949 -0.511 7.637) 7.713 6.239 ( -0.441 0.187 6.384) 6.402 6.504 ( -3.834 -3.929 -7.728) 9.479 6.593 ( 2.042 -6.361 -6.370) 9.231 ======================= Grid point 77 (35/84) ======================= q-point: (-0.25 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( -8.192 2.071 -4.795) 9.716 0.473 ( -10.071 4.871 5.655) 12.535 0.724 ( -9.127 5.684 -6.777) 12.709 0.780 ( 3.015 -1.529 5.598) 6.540 0.896 ( 1.688 0.675 5.032) 5.350 0.974 ( -1.594 -1.538 -1.372) 2.606 1.023 ( 0.103 -0.887 -1.897) 2.097 1.065 ( -1.733 -2.173 -2.881) 4.003 1.088 ( -0.417 -1.742 -1.403) 2.275 1.181 ( 2.263 -0.732 0.240) 2.390 1.200 ( 0.265 -4.064 1.223) 4.252 1.228 ( 4.507 -1.464 0.063) 4.740 1.646 ( 2.758 -0.163 -0.230) 2.772 1.737 ( 6.465 -0.076 0.104) 6.467 1.816 ( -1.933 3.742 1.364) 4.427 1.859 ( 0.707 -1.848 0.102) 1.981 1.878 ( 0.953 -5.127 1.234) 5.359 1.951 ( -0.047 -4.482 0.177) 4.486 2.085 ( -0.021 -0.517 0.937) 1.071 2.138 ( 0.242 2.310 -3.467) 4.173 2.212 ( -1.447 0.286 -1.377) 2.018 2.290 ( -0.137 6.321 2.541) 6.814 2.345 ( -1.109 1.416 1.121) 2.119 2.390 ( -2.445 1.882 -2.106) 3.735 2.418 ( -0.324 -4.299 -0.873) 4.399 2.507 ( 1.724 2.398 0.142) 2.957 2.569 ( -3.111 4.270 -1.231) 5.425 2.721 ( 0.136 -0.293 4.150) 4.162 2.861 ( -2.536 -1.221 -1.431) 3.158 2.875 ( -0.904 -0.435 0.856) 1.319 2.905 ( -0.356 -0.499 1.325) 1.460 2.957 ( 1.038 -0.125 0.501) 1.159 3.006 ( -1.831 0.487 -2.580) 3.201 3.073 ( -0.985 0.548 -1.478) 1.859 3.160 ( 0.960 0.364 0.314) 1.074 3.190 ( 1.443 1.511 2.012) 2.900 3.247 ( -0.865 -0.771 1.095) 1.594 3.259 ( -1.271 0.040 -0.668) 1.437 3.316 ( -2.299 -0.505 -1.177) 2.631 3.391 ( 0.783 1.097 1.109) 1.745 3.420 ( -0.040 -1.206 1.680) 2.068 3.640 ( 3.635 -2.256 -2.528) 4.970 4.183 ( -1.110 -1.335 -0.857) 1.936 4.249 ( -2.650 1.788 -0.582) 3.249 4.354 ( -3.892 7.282 0.253) 8.261 4.549 ( 5.195 -2.452 0.297) 5.752 5.132 ( -0.167 -0.005 0.033) 0.170 5.161 ( 0.530 -0.406 -0.032) 0.668 6.097 ( 1.938 3.407 -0.467) 3.947 6.133 ( 3.824 4.847 1.012) 6.256 6.265 ( -3.905 -2.650 4.421) 6.467 6.285 ( -2.105 -0.135 4.565) 5.029 6.363 ( -0.569 -0.671 -5.185) 5.259 6.558 ( 2.254 -6.911 -3.802) 8.203 ======================= Grid point 78 (36/84) ======================= q-point: (-0.12 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.228 ( -4.124 6.153 4.449) 8.641 0.332 ( -9.156 10.097 -3.331) 14.031 0.499 ( -11.509 10.048 7.327) 16.945 0.876 ( -0.570 -2.287 -0.503) 2.410 0.909 ( -0.891 -2.678 -0.083) 2.823 0.952 ( 0.318 0.412 -1.659) 1.739 1.008 ( 1.241 1.188 1.008) 1.992 1.050 ( 0.916 -0.370 0.411) 1.070 1.090 ( 0.354 -2.887 0.606) 2.971 1.191 ( -0.101 -6.005 -0.358) 6.016 1.215 ( 1.278 0.227 -0.450) 1.373 1.290 ( 2.848 -2.002 -1.624) 3.842 1.688 ( 2.573 0.856 -0.567) 2.770 1.820 ( 0.140 2.058 1.746) 2.703 1.849 ( 4.985 1.533 -0.244) 5.221 1.872 ( 2.651 -2.775 -1.345) 4.067 1.907 ( 1.199 -4.626 0.317) 4.789 1.955 ( -0.052 -5.228 -0.245) 5.234 2.100 ( 0.257 -0.920 1.282) 1.598 2.117 ( 0.764 2.692 -0.495) 2.842 2.179 ( -3.772 -1.017 0.432) 3.931 2.260 ( -4.120 1.069 -0.901) 4.350 2.293 ( -1.133 3.944 -2.731) 4.929 2.368 ( -1.392 3.438 3.085) 4.824 2.426 ( 1.280 0.109 2.362) 2.689 2.508 ( -2.418 0.472 0.133) 2.467 2.545 ( 0.583 3.730 -0.308) 3.788 2.752 ( -0.799 -0.843 1.366) 1.793 2.815 ( -0.984 -1.837 1.112) 2.362 2.854 ( -2.042 -1.242 -0.696) 2.490 2.905 ( 0.104 -0.150 -0.501) 0.533 2.972 ( 0.040 1.602 0.040) 1.603 2.982 ( 0.700 1.281 0.206) 1.474 3.028 ( -1.539 0.656 -1.139) 2.024 3.189 ( 1.650 -0.254 0.030) 1.670 3.207 ( -0.082 -0.330 -1.023) 1.078 3.225 ( -0.251 -0.399 -2.059) 2.113 3.267 ( -2.470 -0.577 -0.760) 2.647 3.283 ( 0.466 -1.485 4.800) 5.046 3.377 ( -1.662 -1.679 -0.329) 2.385 3.464 ( 0.281 1.595 2.018) 2.588 3.655 ( 3.521 0.942 -4.055) 5.452 4.172 ( -0.376 0.081 0.927) 1.004 4.207 ( -1.363 2.213 0.026) 2.600 4.273 ( -4.507 4.662 -1.188) 6.592 4.622 ( 4.139 -4.804 -2.237) 6.724 5.131 ( -0.100 -0.004 0.210) 0.233 5.168 ( 0.352 -0.460 -0.187) 0.608 6.098 ( -2.096 -0.646 -0.028) 2.193 6.171 ( -3.171 -2.146 -0.923) 3.939 6.188 ( 1.575 3.898 -3.142) 5.248 6.240 ( -0.541 1.431 -8.068) 8.212 6.379 ( -0.153 0.033 4.698) 4.701 6.649 ( 5.248 -2.914 7.722) 9.781 ======================= Grid point 79 (37/84) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -3.305 9.776 -2.116) 10.535 0.406 ( 0.891 6.700 5.357) 8.625 0.733 ( 1.290 3.244 3.227) 4.754 0.749 ( -1.555 -0.576 -2.262) 2.805 0.805 ( 0.722 -1.417 -3.737) 4.062 0.950 ( 0.738 -6.301 -0.953) 6.415 1.010 ( -0.492 -1.152 -1.563) 2.003 1.047 ( -0.626 -1.147 0.120) 1.312 1.065 ( 0.697 -1.361 1.522) 2.157 1.132 ( 0.220 2.348 3.659) 4.353 1.224 ( -1.395 -2.685 -0.689) 3.103 1.272 ( 1.302 1.428 -0.466) 1.988 1.695 ( -0.363 -3.791 1.756) 4.194 1.761 ( -0.492 -7.187 -0.448) 7.217 1.853 ( 0.374 1.274 -1.602) 2.080 1.866 ( 0.102 0.694 -0.457) 0.837 1.922 ( -1.864 2.296 0.294) 2.972 1.939 ( 2.825 -0.361 -1.009) 3.022 2.084 ( -3.125 -0.375 1.362) 3.430 2.110 ( 1.237 -1.052 -0.001) 1.624 2.218 ( 2.329 2.592 1.221) 3.692 2.263 ( 0.080 1.030 0.655) 1.224 2.342 ( 1.625 3.886 -3.227) 5.307 2.397 ( -1.167 1.877 0.524) 2.271 2.493 ( -0.643 1.133 2.178) 2.538 2.508 ( -1.445 1.273 0.800) 2.085 2.631 ( 1.101 4.060 -1.172) 4.366 2.696 ( -1.059 -0.554 -0.717) 1.394 2.786 ( -1.097 -0.326 1.808) 2.139 2.838 ( 1.237 -0.648 1.775) 2.259 2.895 ( -0.329 -1.475 0.524) 1.600 2.962 ( 0.909 -2.232 -0.309) 2.429 3.009 ( -0.869 1.762 -2.983) 3.572 3.037 ( 0.039 1.946 -1.663) 2.560 3.158 ( -1.130 -1.851 -0.410) 2.207 3.185 ( 0.168 -1.818 -0.583) 1.916 3.214 ( 1.365 -0.419 -0.325) 1.465 3.221 ( 0.737 -0.409 -0.359) 0.916 3.304 ( -0.026 0.172 2.725) 2.730 3.379 ( -0.023 -1.161 5.260) 5.386 3.477 ( -1.660 2.976 -2.714) 4.356 3.658 ( 0.712 -2.335 -2.424) 3.440 4.229 ( 1.030 2.953 0.950) 3.269 4.265 ( 2.417 3.061 0.293) 3.911 4.273 ( -2.297 2.992 0.945) 3.889 4.506 ( 0.092 -6.367 -2.971) 7.027 5.134 ( -0.032 0.084 0.286) 0.299 5.157 ( 0.043 -0.621 -0.222) 0.661 6.020 ( 0.210 -2.475 0.471) 2.528 6.066 ( -0.082 -3.805 -0.589) 3.851 6.178 ( 0.222 1.109 -6.912) 7.004 6.198 ( -0.062 0.798 -6.911) 6.957 6.521 ( -0.269 4.844 8.675) 9.940 6.736 ( -0.386 -2.004 4.389) 4.840 ======================= Grid point 80 (38/84) ======================= q-point: ( 0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.425 ( 4.156 3.695 4.047) 6.878 0.516 ( 2.103 3.476 7.500) 8.530 0.612 ( -0.133 0.465 -7.543) 7.559 0.778 ( 1.980 1.149 -5.248) 5.726 0.875 ( 3.097 -3.342 3.158) 5.544 0.922 ( -1.031 -6.486 -2.521) 7.035 1.008 ( -0.681 -0.783 0.677) 1.239 1.041 ( 2.039 -0.311 1.464) 2.529 1.081 ( -0.641 -1.314 0.539) 1.559 1.160 ( -1.425 2.008 1.821) 3.062 1.194 ( -1.563 -0.322 0.429) 1.652 1.252 ( -1.394 2.370 -1.902) 3.343 1.680 ( -3.530 -4.626 1.567) 6.026 1.744 ( -1.600 -6.991 0.044) 7.172 1.829 ( -3.599 0.753 -0.292) 3.689 1.840 ( -1.325 2.620 -1.617) 3.352 1.886 ( 0.376 3.805 0.659) 3.880 1.958 ( 0.402 -1.243 0.164) 1.317 2.049 ( -1.310 1.385 -0.375) 1.943 2.169 ( 4.017 -1.016 0.380) 4.160 2.260 ( -0.671 -0.055 -0.875) 1.104 2.277 ( 1.513 0.867 2.378) 2.948 2.337 ( 2.098 2.712 -2.047) 3.993 2.402 ( 1.237 2.615 -0.048) 2.893 2.470 ( -1.678 0.235 -1.219) 2.087 2.539 ( 0.699 0.069 3.340) 3.413 2.649 ( 0.128 2.914 -0.383) 2.942 2.681 ( 1.968 2.617 -0.197) 3.281 2.804 ( 1.113 0.311 1.339) 1.768 2.869 ( -0.493 1.291 -0.120) 1.387 2.919 ( 0.667 -1.411 1.995) 2.533 2.943 ( -0.785 -2.198 -0.120) 2.337 2.983 ( 1.567 0.092 -2.108) 2.629 3.022 ( 1.438 -0.144 -2.632) 3.003 3.136 ( -0.562 -0.656 0.057) 0.865 3.193 ( -0.190 -0.569 -0.355) 0.697 3.204 ( -0.199 -0.608 -0.536) 0.835 3.248 ( 1.716 -2.333 -0.569) 2.951 3.352 ( 0.631 1.718 3.252) 3.732 3.398 ( -1.844 2.138 -1.749) 3.321 3.451 ( -0.165 0.112 4.058) 4.063 3.615 ( -1.378 -3.232 -3.307) 4.824 4.256 ( 0.303 1.852 2.782) 3.356 4.283 ( 1.105 2.785 1.239) 3.242 4.325 ( 4.038 3.178 -1.233) 5.284 4.450 ( -1.311 -4.314 -4.469) 6.348 5.137 ( -0.080 0.007 0.361) 0.370 5.153 ( -0.139 -0.496 -0.307) 0.600 6.055 ( 1.748 -2.278 -1.279) 3.143 6.069 ( 2.029 -1.939 -1.990) 3.440 6.120 ( 1.184 -0.088 -2.875) 3.111 6.150 ( 2.128 -0.805 -2.657) 3.498 6.587 ( -3.089 3.594 7.273) 8.681 6.711 ( -5.383 -0.649 1.382) 5.596 ======================= Grid point 81 (39/84) ======================= q-point: ( 0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 3.417 3.354 2.964) 5.631 0.580 ( 2.260 2.666 0.264) 3.505 0.649 ( 3.252 1.262 2.661) 4.387 0.740 ( 0.886 3.182 -2.587) 4.196 0.884 ( -0.461 -4.147 -1.273) 4.363 0.926 ( 1.654 -6.650 0.222) 6.856 0.991 ( -2.074 -3.120 0.315) 3.760 1.045 ( -1.757 -1.942 -2.690) 3.754 1.136 ( 2.743 0.146 2.071) 3.440 1.138 ( -0.304 0.139 -1.125) 1.173 1.167 ( -2.101 0.777 0.473) 2.289 1.220 ( -0.173 1.619 0.059) 1.629 1.626 ( -4.133 -3.575 1.258) 5.608 1.694 ( -3.953 -4.596 -0.245) 6.067 1.771 ( -1.846 0.304 -0.495) 1.935 1.805 ( -0.420 -0.622 0.187) 0.773 1.942 ( 2.646 3.893 1.088) 4.831 1.968 ( 0.405 -0.088 1.171) 1.243 2.029 ( 0.043 1.463 -1.359) 1.997 2.190 ( -1.302 -2.025 -3.696) 4.411 2.244 ( 1.673 0.855 1.971) 2.723 2.305 ( -0.218 3.731 -2.414) 4.449 2.389 ( 1.679 -1.994 4.852) 5.508 2.415 ( 2.757 0.276 -4.039) 4.898 2.456 ( -0.208 3.769 2.924) 4.775 2.575 ( 0.551 0.713 0.625) 1.097 2.621 ( -0.709 4.616 -0.955) 4.767 2.745 ( 1.241 0.662 2.273) 2.673 2.812 ( -1.397 -1.357 -2.981) 3.561 2.831 ( -1.024 1.401 0.396) 1.780 2.926 ( 0.508 0.056 1.579) 1.660 2.971 ( 1.311 0.256 -0.441) 1.407 3.011 ( 1.811 -0.915 -1.541) 2.548 3.036 ( 3.418 -1.435 0.804) 3.794 3.150 ( 1.018 0.050 0.408) 1.098 3.158 ( -0.276 0.634 -0.534) 0.874 3.220 ( 1.043 -1.134 -0.549) 1.635 3.261 ( 1.339 -2.807 -0.857) 3.226 3.335 ( -1.924 1.561 -1.129) 2.722 3.402 ( -0.394 2.469 1.931) 3.159 3.488 ( -0.959 0.759 3.313) 3.532 3.551 ( -1.659 -3.803 -2.445) 4.816 4.306 ( 0.878 1.104 3.840) 4.090 4.329 ( 2.700 3.227 0.163) 4.211 4.356 ( 1.231 1.174 -1.028) 1.988 4.371 ( -0.461 -1.355 -5.190) 5.384 5.139 ( -0.170 -0.135 0.283) 0.357 5.147 ( -0.182 -0.383 -0.291) 0.515 6.050 ( 1.064 1.074 -1.472) 2.110 6.069 ( 1.683 0.761 -1.010) 2.105 6.153 ( 1.535 0.157 0.112) 1.547 6.184 ( 2.688 -0.814 -0.299) 2.824 6.594 ( -3.844 -1.034 4.307) 5.865 6.620 ( -4.942 -2.108 -1.003) 5.466 ======================= Grid point 82 (40/84) ======================= q-point: ( 0.38 0.29 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -2.287 2.234 4.656) 5.648 0.613 ( 1.924 4.920 -3.528) 6.352 0.697 ( 6.201 5.112 0.793) 8.076 0.799 ( 1.083 -3.142 2.174) 3.971 0.868 ( -1.016 -0.787 0.071) 1.287 0.930 ( -1.891 -1.280 -2.071) 3.083 0.945 ( -0.480 -6.370 -1.513) 6.565 0.994 ( 0.388 -0.303 0.464) 0.676 1.104 ( -3.667 -1.310 -0.479) 3.923 1.129 ( -0.723 -2.126 -0.055) 2.246 1.186 ( 0.520 1.078 1.091) 1.619 1.255 ( 2.902 -1.516 -0.083) 3.275 1.588 ( -1.814 -2.982 0.852) 3.592 1.629 ( -2.319 -2.782 -1.027) 3.765 1.757 ( -0.425 -1.297 0.461) 1.440 1.814 ( 0.230 -2.106 0.591) 2.199 1.970 ( 1.775 1.757 -0.456) 2.539 1.993 ( 0.191 1.860 -1.191) 2.217 2.030 ( 0.729 0.744 1.355) 1.709 2.138 ( -0.135 -1.988 -1.768) 2.664 2.248 ( -1.991 3.428 -2.771) 4.836 2.299 ( 0.883 1.692 3.382) 3.884 2.385 ( 1.106 0.948 -4.063) 4.316 2.462 ( 0.075 0.083 1.711) 1.715 2.508 ( 0.900 4.336 1.947) 4.838 2.577 ( 1.004 1.200 -1.521) 2.183 2.635 ( 1.336 3.176 2.803) 4.442 2.696 ( -3.739 -0.695 -1.676) 4.156 2.810 ( 0.250 -1.309 1.707) 2.165 2.824 ( -0.672 -0.365 0.298) 0.821 2.934 ( 0.002 2.178 -2.371) 3.219 2.982 ( 1.134 0.924 1.147) 1.859 3.045 ( 1.848 -1.151 0.291) 2.197 3.088 ( 1.115 0.930 0.186) 1.464 3.152 ( 1.399 0.542 0.234) 1.518 3.191 ( 0.705 -0.075 -0.660) 0.969 3.236 ( 2.053 -2.169 -0.091) 2.988 3.271 ( -0.330 0.806 0.555) 1.032 3.303 ( 0.256 -4.356 -0.088) 4.364 3.395 ( -1.255 0.943 0.030) 1.570 3.496 ( -1.247 1.339 1.211) 2.194 3.505 ( -1.591 -1.372 -1.177) 2.408 4.293 ( 0.167 -0.313 -4.999) 5.011 4.321 ( 0.262 -0.422 -4.521) 4.549 4.386 ( 1.393 3.004 5.275) 6.229 4.419 ( 1.907 2.161 4.742) 5.549 5.138 ( -0.153 -0.238 0.154) 0.323 5.141 ( -0.111 -0.326 -0.179) 0.388 6.071 ( 1.811 2.816 0.806) 3.443 6.112 ( 2.489 2.372 1.471) 3.739 6.151 ( -1.330 3.004 0.033) 3.285 6.201 ( -0.871 2.313 0.279) 2.487 6.539 ( -1.628 -5.744 -2.944) 6.657 6.567 ( -2.293 -6.158 0.035) 6.571 ======================= Grid point 83 (41/84) ======================= q-point: (-0.50 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( -0.024 2.006 1.369) 2.429 0.621 ( -0.245 4.354 1.362) 4.569 0.749 ( -3.364 -0.472 -3.356) 4.775 0.783 ( -1.830 0.328 0.345) 1.890 0.854 ( 1.932 0.736 1.559) 2.589 0.916 ( 0.724 -1.915 -0.173) 2.055 0.946 ( 1.822 -7.643 -1.560) 8.010 1.031 ( 0.002 1.560 0.662) 1.694 1.060 ( 1.930 -3.481 0.961) 4.095 1.128 ( -0.480 -1.205 1.444) 1.940 1.191 ( -0.873 1.455 0.327) 1.728 1.276 ( -0.413 -0.015 -0.880) 0.972 1.576 ( -0.701 -3.151 0.343) 3.246 1.599 ( 0.290 -2.628 -0.821) 2.768 1.757 ( -0.163 -2.182 0.344) 2.215 1.813 ( -0.540 -2.542 -0.258) 2.612 1.970 ( -0.368 1.466 -1.138) 1.892 1.986 ( -0.059 3.655 -1.117) 3.822 2.059 ( 0.426 0.310 1.605) 1.689 2.151 ( 3.042 -1.932 -0.524) 3.641 2.198 ( -0.361 1.898 -0.567) 2.014 2.346 ( -0.524 0.334 -3.153) 3.213 2.355 ( 0.049 1.039 2.874) 3.057 2.446 ( -0.801 2.554 -1.717) 3.180 2.519 ( -1.457 1.745 -0.120) 2.277 2.541 ( 0.237 3.701 -3.272) 4.946 2.664 ( -1.047 1.472 2.586) 3.155 2.724 ( 2.456 0.499 4.199) 4.890 2.803 ( -0.862 0.363 -0.446) 1.036 2.844 ( 0.387 -0.783 2.198) 2.366 2.905 ( -0.164 1.147 -1.565) 1.947 3.007 ( 0.080 0.367 0.219) 0.435 3.066 ( 0.262 -0.928 0.220) 0.989 3.074 ( -0.807 0.719 -1.843) 2.137 3.168 ( 0.032 -0.331 -1.337) 1.378 3.192 ( -0.332 0.641 0.257) 0.767 3.241 ( 1.195 1.808 1.605) 2.697 3.312 ( 0.369 -1.304 1.768) 2.228 3.318 ( 0.158 -3.461 0.653) 3.526 3.382 ( -0.246 -1.332 0.575) 1.472 3.457 ( -1.432 1.071 -2.173) 2.814 3.486 ( 0.348 -0.794 -0.854) 1.217 4.248 ( -0.092 -1.007 -3.739) 3.874 4.268 ( 0.838 -1.923 -4.245) 4.734 4.468 ( -0.012 4.872 5.876) 7.633 4.503 ( 0.285 3.873 5.377) 6.633 5.137 ( -0.169 -0.200 0.037) 0.265 5.141 ( 0.192 -0.314 -0.029) 0.369 6.114 ( 0.638 4.652 0.713) 4.750 6.120 ( 0.229 3.114 0.635) 3.187 6.178 ( -2.014 2.733 2.562) 4.253 6.190 ( 1.505 1.601 2.820) 3.575 6.489 ( 0.329 -7.460 -4.744) 8.846 6.516 ( -1.031 -7.006 -3.592) 7.940 ======================= Grid point 84 (42/84) ======================= q-point: (-0.38 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -5.593 0.866 -3.828) 6.833 0.618 ( -5.527 2.436 4.087) 7.293 0.676 ( 2.188 1.793 0.687) 2.911 0.800 ( 0.944 0.175 2.779) 2.941 0.879 ( 1.270 -0.467 -1.207) 1.813 0.934 ( 0.729 -3.349 0.858) 3.534 0.940 ( 0.219 -7.483 -1.216) 7.584 1.070 ( 5.000 -1.743 -2.795) 5.987 1.120 ( 0.952 -1.297 2.255) 2.770 1.131 ( -0.875 -0.919 -1.060) 1.654 1.173 ( -2.124 3.143 1.698) 4.156 1.223 ( -2.833 3.408 -0.901) 4.522 1.577 ( 0.550 -3.327 0.325) 3.388 1.621 ( 2.989 -3.357 -0.226) 4.501 1.766 ( 0.645 -2.345 0.907) 2.596 1.800 ( -0.041 -2.817 -0.599) 2.880 1.944 ( -2.493 4.037 -1.065) 4.863 1.955 ( -0.537 2.608 -0.291) 2.679 2.076 ( 0.163 0.311 0.340) 0.489 2.175 ( 2.121 -0.158 -2.862) 3.566 2.260 ( 3.275 -1.283 4.194) 5.474 2.276 ( -2.179 -0.480 -3.371) 4.042 2.365 ( -0.811 0.152 0.990) 1.289 2.416 ( -0.842 1.518 -2.184) 2.790 2.478 ( -1.529 2.462 -0.167) 2.903 2.547 ( 1.549 4.536 -0.321) 4.804 2.687 ( -0.900 2.482 3.553) 4.426 2.732 ( -2.473 2.353 -1.758) 3.840 2.832 ( 1.896 0.835 1.697) 2.678 2.866 ( 0.777 -0.929 0.942) 1.534 2.908 ( -0.405 -1.319 1.823) 2.286 2.960 ( -3.353 -0.462 -2.474) 4.193 3.045 ( -0.326 -0.735 -1.819) 1.989 3.074 ( 1.005 -0.191 0.206) 1.043 3.163 ( -0.191 0.203 1.043) 1.080 3.190 ( -0.241 1.121 0.835) 1.419 3.268 ( -2.484 -0.545 0.883) 2.693 3.288 ( -1.405 0.096 -1.059) 1.762 3.352 ( 1.521 0.280 2.714) 3.124 3.375 ( -1.644 0.027 -0.087) 1.646 3.404 ( -0.593 0.198 -2.692) 2.764 3.525 ( 4.350 -3.534 -0.205) 5.608 4.197 ( -0.575 -0.911 -2.839) 3.036 4.262 ( 2.202 -2.456 -2.259) 3.998 4.510 ( -2.124 5.342 4.205) 7.122 4.538 ( -2.581 4.959 3.400) 6.543 5.134 ( -0.114 -0.041 -0.008) 0.121 5.145 ( 0.346 -0.410 -0.016) 0.537 6.140 ( 0.950 2.614 1.902) 3.369 6.143 ( 1.729 3.910 0.557) 4.311 6.200 ( -0.846 0.356 5.098) 5.180 6.239 ( -1.279 -0.342 4.278) 4.478 6.416 ( -0.356 -4.452 -6.603) 7.972 6.466 ( 1.927 -5.814 -6.381) 8.846 ======================= Grid point 85 (43/84) ======================= q-point: (-0.25 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.413 ( -5.119 4.320 -2.586) 7.180 0.571 ( -6.391 4.423 4.996) 9.239 0.755 ( 2.804 -0.744 4.030) 4.965 0.797 ( -2.181 0.956 -3.778) 4.466 0.902 ( -1.191 -1.409 1.169) 2.184 0.943 ( 3.720 -4.235 -1.650) 5.873 0.960 ( 0.298 -0.825 1.512) 1.748 1.041 ( -2.635 -0.138 -1.903) 3.253 1.087 ( -2.363 1.688 -2.704) 3.968 1.119 ( -0.248 -2.410 0.427) 2.460 1.178 ( 1.102 -1.078 0.877) 1.773 1.233 ( 1.871 1.766 0.643) 2.652 1.606 ( 2.375 -3.420 0.267) 4.172 1.688 ( 4.751 -5.152 -0.174) 7.011 1.799 ( 1.696 -1.887 0.917) 2.698 1.809 ( 1.952 -2.111 -0.267) 2.887 1.898 ( -1.994 3.796 0.266) 4.296 1.947 ( -0.392 1.758 0.211) 1.814 2.077 ( 0.229 0.272 -0.235) 0.426 2.159 ( 0.251 -0.165 -2.575) 2.593 2.216 ( -1.375 0.513 -1.492) 2.093 2.344 ( 1.087 -2.782 -0.656) 3.059 2.366 ( -1.179 1.757 0.754) 2.246 2.380 ( -0.249 1.494 1.306) 2.000 2.455 ( -1.427 4.749 1.222) 5.107 2.566 ( 0.552 2.978 -0.155) 3.032 2.662 ( -2.021 5.230 -1.536) 5.813 2.719 ( -1.162 0.398 4.044) 4.226 2.829 ( -2.686 -1.881 -4.268) 5.382 2.866 ( -0.412 -0.643 0.640) 0.997 2.902 ( -1.846 -0.148 1.906) 2.657 2.923 ( 0.855 -2.640 -0.561) 2.832 3.031 ( 0.324 1.557 0.075) 1.592 3.093 ( -0.040 1.188 0.006) 1.189 3.165 ( -0.341 -0.056 0.365) 0.502 3.208 ( 0.684 0.020 1.650) 1.787 3.228 ( -1.667 -0.901 0.256) 1.912 3.247 ( -2.011 -1.124 -1.452) 2.723 3.309 ( -2.317 -0.038 -1.479) 2.749 3.373 ( -1.214 -2.010 -1.202) 2.637 3.441 ( 2.880 2.492 3.157) 4.947 3.595 ( 4.061 -2.484 -0.574) 4.795 4.171 ( 0.468 0.174 -1.160) 1.263 4.269 ( 0.583 -0.399 -1.071) 1.283 4.480 ( -5.916 5.424 0.621) 8.050 4.519 ( -1.014 0.010 0.945) 1.387 5.133 ( -0.094 0.061 0.000) 0.112 5.151 ( 0.399 -0.571 -0.036) 0.697 6.127 ( -2.682 -0.914 -0.102) 2.836 6.185 ( -5.055 -4.481 0.776) 6.800 6.239 ( 4.318 5.306 3.409) 7.643 6.293 ( -0.674 0.739 4.892) 4.994 6.353 ( 0.800 -0.297 -4.319) 4.402 6.452 ( 6.702 -3.395 -4.415) 8.714 ======================= Grid point 86 (44/84) ======================= q-point: (-0.12 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( -1.915 7.391 3.010) 8.207 0.527 ( -4.574 9.782 -0.160) 10.800 0.665 ( -5.467 5.433 0.900) 7.760 0.826 ( 0.849 -2.469 0.129) 2.614 0.861 ( -3.247 -1.967 -1.353) 4.030 0.943 ( 0.883 -3.443 -1.878) 4.020 1.010 ( 2.872 -1.982 0.119) 3.492 1.036 ( -0.658 0.566 -0.763) 1.155 1.046 ( 1.548 -0.316 0.833) 1.786 1.103 ( -2.021 -1.234 2.080) 3.152 1.223 ( 2.555 -1.817 0.708) 3.214 1.252 ( 0.755 -0.186 -1.320) 1.533 1.656 ( 2.520 -3.463 0.859) 4.368 1.754 ( 2.264 -7.490 0.168) 7.826 1.841 ( 2.729 -0.863 -0.316) 2.880 1.853 ( 2.904 0.325 -0.702) 3.005 1.886 ( 0.622 2.174 0.187) 2.269 1.943 ( -0.672 0.966 0.441) 1.257 2.087 ( 0.633 -0.049 0.563) 0.849 2.138 ( -1.347 -0.997 -0.481) 1.744 2.186 ( -0.437 2.300 -0.275) 2.357 2.285 ( -2.586 1.156 -1.284) 3.110 2.361 ( 0.214 3.068 -2.828) 4.177 2.392 ( -0.351 1.028 2.242) 2.491 2.487 ( 0.090 3.710 3.994) 5.452 2.539 ( -3.638 2.257 -0.497) 4.310 2.635 ( 0.629 5.098 -1.635) 5.390 2.726 ( -2.355 -1.380 0.623) 2.800 2.768 ( 0.229 -2.736 0.925) 2.897 2.849 ( -3.367 0.339 0.650) 3.445 2.888 ( 0.792 -1.386 0.110) 1.600 2.944 ( 1.517 -2.357 -0.617) 2.870 3.039 ( 0.430 2.477 -0.441) 2.553 3.062 ( -1.699 2.542 -1.278) 3.313 3.180 ( 0.458 -1.292 -0.694) 1.536 3.191 ( -0.963 -1.192 -0.318) 1.565 3.213 ( 0.440 -0.588 -2.166) 2.287 3.233 ( -1.615 -2.005 1.268) 2.870 3.278 ( -0.330 0.353 1.381) 1.463 3.344 ( -1.522 -1.583 1.754) 2.810 3.501 ( 0.849 2.379 0.618) 2.600 3.645 ( 3.132 -1.641 -1.345) 3.783 4.187 ( 1.791 1.603 0.502) 2.456 4.257 ( -0.617 2.429 -0.253) 2.519 4.358 ( -6.754 4.010 -1.171) 7.941 4.520 ( 0.912 -5.199 -1.218) 5.417 5.132 ( -0.047 0.095 0.126) 0.165 5.156 ( 0.276 -0.663 -0.107) 0.726 6.058 ( -4.306 -2.745 -0.081) 5.107 6.104 ( -3.672 -4.016 -0.524) 5.467 6.256 ( 0.555 1.839 -6.598) 6.871 6.279 ( 1.175 2.243 -7.361) 7.784 6.401 ( 1.655 2.960 8.588) 9.233 6.608 ( 6.887 -1.940 6.200) 9.468 ======================= Grid point 87 (45/84) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -0.216 6.805 3.659) 7.730 0.567 ( -4.304 6.701 -4.541) 9.168 0.702 ( 2.449 -5.162 2.054) 6.071 0.714 ( -2.913 -3.161 -5.329) 6.847 0.795 ( 1.536 1.225 -3.798) 4.276 0.847 ( 1.406 -3.855 -3.650) 5.492 0.998 ( 0.592 0.275 -0.947) 1.150 1.020 ( 0.141 -1.721 -0.916) 1.954 1.090 ( -0.720 2.613 3.615) 4.518 1.138 ( -0.777 -2.150 4.035) 4.638 1.232 ( 0.266 3.311 1.735) 3.748 1.278 ( 0.886 -1.012 1.038) 1.699 1.633 ( -0.638 -1.592 1.188) 2.086 1.654 ( -0.686 -3.730 0.445) 3.819 1.875 ( 1.652 0.872 -0.971) 2.105 1.882 ( 1.159 0.337 -1.098) 1.632 1.937 ( 0.502 0.412 0.947) 1.149 1.944 ( -1.222 0.045 0.945) 1.545 2.081 ( -1.909 0.105 0.868) 2.100 2.090 ( -0.044 -0.862 0.250) 0.899 2.264 ( 1.709 1.906 -0.344) 2.583 2.279 ( 0.524 0.304 -0.361) 0.705 2.401 ( 2.322 2.332 -4.158) 5.302 2.425 ( 1.322 0.356 -1.681) 2.168 2.503 ( -2.879 0.368 1.389) 3.218 2.517 ( -3.910 -0.393 2.121) 4.466 2.688 ( -0.028 1.582 0.086) 1.585 2.700 ( 1.368 0.251 -0.187) 1.404 2.785 ( 0.958 1.313 2.131) 2.680 2.827 ( 0.886 -1.917 0.815) 2.263 2.880 ( -0.945 1.120 1.005) 1.777 2.918 ( -0.149 -2.317 0.859) 2.475 3.041 ( -0.523 1.260 -3.815) 4.052 3.055 ( -0.119 -0.094 -3.225) 3.229 3.134 ( -0.136 -0.388 -0.272) 0.493 3.147 ( 0.267 -1.655 -0.310) 1.705 3.213 ( 0.679 0.099 -0.768) 1.030 3.216 ( 0.753 -0.208 -0.728) 1.068 3.321 ( 0.190 1.453 3.995) 4.255 3.352 ( -0.045 -1.637 4.950) 5.214 3.540 ( -0.995 3.451 -2.324) 4.278 3.604 ( -0.372 -3.236 -2.123) 3.888 4.286 ( 1.633 2.806 0.201) 3.253 4.308 ( 1.976 0.826 -0.147) 2.147 4.328 ( -1.811 2.816 0.730) 3.427 4.397 ( -0.657 -4.870 -0.785) 4.976 5.138 ( 0.010 0.320 0.137) 0.348 5.146 ( 0.028 -0.547 -0.034) 0.549 5.987 ( 0.010 -0.607 0.107) 0.616 6.004 ( -0.123 -2.323 -0.285) 2.344 6.195 ( 0.231 0.703 -7.719) 7.754 6.203 ( 0.188 -0.152 -7.929) 7.933 6.612 ( -0.286 4.536 7.974) 9.178 6.686 ( -0.351 -3.261 6.304) 7.106 ======================= Grid point 88 (46/84) ======================= q-point: ( 0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.515 ( 1.766 5.184 0.641) 5.514 0.577 ( 0.408 0.831 3.286) 3.414 0.633 ( 1.267 2.665 -3.957) 4.936 0.745 ( 0.814 -7.720 0.226) 7.766 0.802 ( 4.136 1.745 -3.192) 5.509 0.843 ( 3.316 -2.469 -4.050) 5.787 0.990 ( -1.193 -0.740 -1.122) 1.798 1.003 ( -0.123 -2.098 -1.021) 2.337 1.115 ( -1.450 2.531 3.931) 4.895 1.153 ( -2.525 -1.428 3.256) 4.361 1.245 ( -0.930 3.227 0.529) 3.399 1.277 ( -1.278 -0.028 -0.496) 1.371 1.612 ( -2.861 -1.644 0.804) 3.396 1.634 ( -1.956 -3.938 0.427) 4.417 1.854 ( -3.734 1.476 0.113) 4.017 1.871 ( -2.714 0.178 -0.793) 2.833 1.933 ( 0.424 1.232 1.361) 1.884 1.943 ( 0.863 -0.305 0.355) 0.982 2.087 ( 1.248 2.389 -0.160) 2.700 2.133 ( 3.180 -2.399 0.609) 4.029 2.263 ( -1.102 0.538 0.034) 1.227 2.276 ( -0.540 -0.640 0.225) 0.867 2.393 ( 2.683 2.635 -3.977) 5.473 2.428 ( 3.384 -0.748 -4.738) 5.871 2.485 ( -2.072 2.109 3.863) 4.864 2.526 ( -0.974 -1.585 4.481) 4.852 2.698 ( 1.654 2.166 -1.178) 2.969 2.720 ( 2.872 0.434 -1.817) 3.426 2.826 ( -0.159 2.321 1.809) 2.947 2.878 ( 0.192 -1.583 2.098) 2.635 2.890 ( 2.327 -0.670 2.681) 3.612 2.902 ( -1.863 -1.242 -0.608) 2.321 2.997 ( 0.735 1.177 -2.954) 3.263 3.017 ( 0.622 -0.670 -3.039) 3.173 3.133 ( 0.534 0.555 -0.375) 0.857 3.161 ( 1.276 -2.224 0.019) 2.564 3.203 ( -0.477 0.401 -1.080) 1.247 3.216 ( 0.375 -0.984 -1.100) 1.523 3.387 ( 1.331 1.908 4.511) 5.076 3.416 ( 0.722 -0.758 4.097) 4.228 3.480 ( -2.338 3.170 -2.083) 4.456 3.548 ( -2.251 -3.732 -3.092) 5.344 4.289 ( -1.271 1.861 2.689) 3.508 4.317 ( -0.431 -0.174 1.503) 1.573 4.374 ( 4.377 1.605 -2.517) 5.298 4.393 ( 2.014 -1.354 -2.996) 3.855 5.139 ( -0.095 0.190 0.150) 0.260 5.144 ( -0.128 -0.400 -0.083) 0.428 6.021 ( 3.232 -0.936 -0.212) 3.372 6.028 ( 3.633 -1.646 -0.202) 3.993 6.125 ( 0.891 0.499 -4.998) 5.101 6.136 ( 1.411 -0.637 -4.728) 4.975 6.650 ( -4.896 2.888 5.825) 8.139 6.692 ( -5.710 -1.543 3.774) 7.016 ======================= Grid point 89 (47/84) ======================= q-point: ( 0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.600 ( 3.468 3.101 3.174) 5.632 0.641 ( 0.684 1.631 3.788) 4.180 0.658 ( 5.223 1.381 -0.112) 5.403 0.758 ( 1.341 -6.613 -0.272) 6.753 0.811 ( 0.637 3.713 -4.277) 5.699 0.874 ( 3.926 -1.314 -0.269) 4.148 0.940 ( -3.075 -0.794 -0.687) 3.250 0.986 ( -0.024 -3.819 -0.729) 3.888 1.134 ( -0.962 0.348 1.110) 1.510 1.141 ( -1.291 -0.141 0.707) 1.479 1.211 ( -2.219 2.593 -0.390) 3.435 1.239 ( -1.738 -0.158 -0.921) 1.973 1.570 ( -3.156 -1.197 1.063) 3.538 1.598 ( -2.866 -4.021 0.533) 4.967 1.795 ( -2.517 1.432 -0.094) 2.897 1.811 ( -2.277 0.001 -0.163) 2.283 1.970 ( 1.667 0.580 -0.256) 1.783 1.979 ( 2.222 0.062 0.971) 2.426 2.078 ( -0.593 3.275 -1.804) 3.785 2.138 ( -1.001 -3.008 -2.882) 4.284 2.275 ( 1.555 2.325 3.338) 4.355 2.329 ( 2.282 -3.219 4.855) 6.256 2.374 ( 0.301 3.212 -3.657) 4.876 2.417 ( 1.674 -1.060 -4.619) 5.026 2.520 ( 0.355 2.948 3.922) 4.919 2.566 ( 0.129 -1.632 3.011) 3.427 2.702 ( 0.444 3.611 -1.293) 3.861 2.757 ( 2.271 -1.785 -1.209) 3.131 2.793 ( -2.330 2.008 -1.986) 3.661 2.837 ( -1.754 -1.418 -1.686) 2.816 2.940 ( 1.797 1.396 3.107) 3.851 2.967 ( 1.577 -0.999 1.720) 2.538 3.007 ( 2.594 0.434 -0.646) 2.708 3.018 ( 2.581 -0.543 -0.143) 2.641 3.146 ( 1.732 0.463 -0.341) 1.825 3.176 ( 0.065 -0.003 -0.950) 0.953 3.190 ( 0.969 -2.354 -0.246) 2.557 3.201 ( -0.086 -1.198 -1.458) 1.889 3.392 ( -2.860 3.784 -2.287) 5.266 3.445 ( -1.966 1.027 0.766) 2.347 3.479 ( -0.037 -2.763 0.258) 2.775 3.487 ( 0.067 -0.965 3.180) 3.324 4.317 ( -0.356 0.444 3.428) 3.475 4.330 ( -0.829 -1.048 1.425) 1.954 4.388 ( 2.724 1.544 -3.233) 4.501 4.392 ( 2.986 1.146 -4.069) 5.175 5.138 ( -0.185 0.024 0.070) 0.199 5.140 ( -0.188 -0.255 -0.127) 0.341 6.075 ( 3.518 1.786 -0.361) 3.962 6.095 ( 3.729 1.443 -0.808) 4.080 6.127 ( 3.256 -1.902 -0.284) 3.782 6.148 ( 3.765 -2.425 -1.067) 4.603 6.591 ( -7.564 0.397 2.582) 8.002 6.599 ( -7.888 -0.490 0.774) 7.941 ======================= Grid point 90 (48/84) ======================= q-point: ( 0.38 0.43 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.644 ( -1.202 2.950 2.279) 3.917 0.698 ( 2.395 3.408 -1.446) 4.409 0.722 ( 0.006 -3.760 0.400) 3.781 0.782 ( 1.909 -1.833 -2.267) 3.484 0.803 ( 3.871 1.491 0.916) 4.249 0.874 ( -2.036 -2.797 -0.144) 3.463 0.942 ( 0.692 1.711 0.869) 2.040 0.981 ( 0.562 -1.585 -1.140) 2.032 1.096 ( -3.375 0.430 -0.465) 3.434 1.107 ( -2.468 -0.386 0.810) 2.627 1.207 ( 0.291 0.897 1.516) 1.785 1.226 ( 1.253 -1.345 0.488) 1.902 1.537 ( -1.780 -1.198 0.633) 2.237 1.560 ( -1.850 -3.271 -0.031) 3.758 1.767 ( -0.599 1.415 -0.748) 1.709 1.791 ( -0.553 -1.016 -0.005) 1.157 1.991 ( 1.545 1.226 -0.521) 2.040 2.014 ( 1.278 -0.827 -0.174) 1.532 2.052 ( -0.181 2.230 -0.426) 2.278 2.095 ( -0.377 -2.291 -1.121) 2.578 2.319 ( -0.887 3.606 -4.230) 5.629 2.352 ( 0.918 2.785 3.471) 4.544 2.381 ( 0.680 -0.881 -3.467) 3.642 2.427 ( 1.404 -3.070 4.261) 5.436 2.567 ( 0.290 1.815 1.294) 2.248 2.585 ( 0.200 -0.220 -0.655) 0.720 2.698 ( -0.499 1.846 1.411) 2.377 2.700 ( -1.949 0.754 -1.233) 2.427 2.793 ( 0.709 0.432 0.097) 0.836 2.815 ( 0.271 -1.014 -0.395) 1.122 2.976 ( 0.546 1.907 -1.443) 2.453 2.993 ( 1.019 -0.024 0.507) 1.139 3.040 ( 1.389 1.342 0.755) 2.073 3.087 ( 1.752 -1.923 1.012) 2.791 3.169 ( 0.998 1.343 -0.454) 1.734 3.184 ( 0.839 -0.541 -0.993) 1.408 3.190 ( 2.249 -1.243 1.474) 2.962 3.215 ( 1.572 -3.600 0.410) 3.950 3.320 ( -2.749 3.032 -1.030) 4.220 3.377 ( -2.873 -2.583 -1.412) 4.114 3.502 ( -0.167 0.766 0.635) 1.009 3.511 ( -0.746 0.104 0.941) 1.205 4.292 ( -0.065 0.367 -5.011) 5.025 4.305 ( -0.318 -0.944 -4.593) 4.699 4.438 ( 2.022 1.966 5.344) 6.042 4.450 ( 2.089 0.675 5.460) 5.885 5.135 ( -0.131 -0.073 0.040) 0.155 5.136 ( -0.113 -0.169 -0.080) 0.219 6.127 ( 2.947 3.038 -0.020) 4.232 6.162 ( 3.667 2.750 1.089) 4.711 6.173 ( 2.052 -0.916 -0.483) 2.299 6.210 ( 2.751 -1.506 0.441) 3.167 6.466 ( -6.382 -1.490 -1.622) 6.751 6.479 ( -6.336 -2.713 -0.419) 6.905 ======================= Grid point 91 (49/84) ======================= q-point: (-0.50 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -1.846 2.086 1.299) 3.074 0.689 ( -1.922 -0.916 -2.052) 2.957 0.707 ( 1.551 1.479 -2.088) 2.992 0.788 ( 2.086 -4.297 -2.578) 5.428 0.837 ( -1.388 1.182 -0.180) 1.832 0.865 ( 0.202 -0.841 0.085) 0.869 0.920 ( -0.842 2.145 -0.367) 2.333 0.984 ( 0.694 -3.977 -0.758) 4.107 1.073 ( 0.824 1.933 1.643) 2.668 1.105 ( -0.259 -1.435 1.979) 2.458 1.232 ( -0.321 2.522 2.619) 3.650 1.268 ( 0.304 -1.059 2.086) 2.359 1.523 ( -0.575 -1.324 0.328) 1.480 1.540 ( -0.143 -2.763 -0.295) 2.782 1.749 ( -0.070 0.932 -1.128) 1.465 1.777 ( -0.377 -1.699 -1.102) 2.060 2.002 ( -0.041 1.785 -0.070) 1.786 2.025 ( 0.294 -0.073 -0.232) 0.382 2.072 ( 1.477 1.512 1.087) 2.377 2.109 ( 2.483 -2.204 0.559) 3.367 2.252 ( -1.322 3.452 -3.010) 4.767 2.314 ( -1.279 -2.798 -3.923) 4.985 2.405 ( -0.611 3.034 1.141) 3.298 2.453 ( -0.586 -1.525 -0.973) 1.902 2.547 ( -1.032 1.808 -0.840) 2.245 2.576 ( 0.080 -0.745 0.163) 0.767 2.705 ( 0.609 3.141 2.683) 4.176 2.750 ( 1.763 -0.309 3.825) 4.223 2.799 ( 0.204 1.005 -0.080) 1.028 2.828 ( 0.682 -1.142 1.017) 1.675 2.948 ( -0.858 2.971 -2.497) 3.975 2.998 ( -0.703 -1.703 -0.968) 2.081 3.054 ( -0.121 0.171 -0.278) 0.348 3.071 ( -1.287 -0.969 -1.154) 1.982 3.170 ( 0.163 0.853 -0.697) 1.113 3.198 ( -0.162 -1.049 -0.298) 1.102 3.255 ( 1.255 -1.045 3.655) 4.003 3.267 ( 0.142 -0.804 2.429) 2.562 3.301 ( 1.355 1.698 1.003) 2.393 3.348 ( 1.899 -2.493 0.078) 3.135 3.476 ( -1.571 0.763 -2.235) 2.837 3.483 ( -1.834 0.078 -1.912) 2.650 4.234 ( 0.235 -0.243 -4.689) 4.701 4.241 ( 0.278 -0.915 -4.873) 4.966 4.542 ( 0.232 2.504 7.478) 7.889 4.554 ( 0.319 1.214 7.382) 7.488 5.134 ( -0.025 -0.026 0.044) 0.057 5.136 ( 0.091 -0.178 0.028) 0.202 6.163 ( 0.909 1.962 -0.345) 2.190 6.177 ( -0.302 1.180 -0.042) 1.219 6.225 ( 1.222 1.567 0.520) 2.054 6.227 ( -1.061 1.642 0.948) 2.173 6.378 ( -0.442 -3.022 -2.745) 4.107 6.400 ( -0.721 -4.574 -1.982) 5.037 ======================= Grid point 92 (50/84) ======================= q-point: (-0.38 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.585 ( -4.021 1.739 -2.617) 5.103 0.621 ( -3.076 -1.618 0.622) 3.531 0.720 ( 1.378 2.647 -0.791) 3.087 0.787 ( 0.099 -3.853 -0.265) 3.864 0.837 ( 1.398 0.169 0.122) 1.414 0.868 ( 1.603 -1.762 -0.208) 2.392 0.928 ( 0.684 2.889 1.755) 3.448 1.004 ( 2.022 -4.311 -0.334) 4.774 1.115 ( 0.986 0.249 0.682) 1.224 1.122 ( 0.133 -0.347 -0.170) 0.409 1.240 ( -2.285 2.926 1.999) 4.217 1.265 ( -2.126 0.514 0.824) 2.338 1.528 ( 0.673 -0.954 0.453) 1.252 1.551 ( 1.622 -3.125 0.031) 3.521 1.748 ( 1.126 0.087 -0.302) 1.169 1.763 ( 0.755 -1.377 -1.271) 2.020 1.991 ( -1.535 1.835 0.137) 2.396 2.005 ( -1.780 0.791 -0.783) 2.100 2.103 ( 1.171 2.544 -0.747) 2.899 2.152 ( 2.012 -2.216 -2.296) 3.772 2.243 ( 1.352 0.031 2.504) 2.846 2.258 ( -1.069 -1.251 -0.947) 1.898 2.382 ( -0.475 1.547 -1.211) 2.021 2.413 ( -0.435 -1.313 -3.017) 3.319 2.542 ( -1.065 3.353 1.827) 3.964 2.586 ( -0.405 -0.743 1.329) 1.575 2.740 ( 0.202 3.664 1.627) 4.014 2.794 ( -0.691 1.810 -0.414) 1.982 2.820 ( 1.323 -1.142 1.828) 2.529 2.847 ( 0.157 -0.539 0.041) 0.563 2.906 ( -1.340 0.633 -0.065) 1.484 2.933 ( -3.242 -2.138 -3.062) 4.946 3.045 ( -0.052 0.851 0.201) 0.876 3.065 ( 0.274 -0.890 1.115) 1.453 3.168 ( 0.007 0.704 0.001) 0.704 3.191 ( 0.029 -1.215 -0.525) 1.324 3.254 ( -2.872 -0.053 2.114) 3.566 3.269 ( -2.261 -1.282 1.201) 2.864 3.383 ( 0.365 1.764 -0.552) 1.884 3.392 ( 2.255 1.348 0.596) 2.694 3.409 ( -1.436 0.631 -3.131) 3.502 3.458 ( 3.781 -3.409 0.591) 5.125 4.193 ( 0.748 0.521 -3.098) 3.230 4.217 ( 1.983 -1.993 -2.812) 3.977 4.592 ( -3.530 2.908 4.976) 6.759 4.606 ( -3.449 1.574 4.888) 6.186 5.135 ( 0.026 0.099 0.010) 0.102 5.138 ( 0.172 -0.275 -0.003) 0.324 6.150 ( -2.125 0.067 0.432) 2.169 6.168 ( -2.001 -1.333 0.461) 2.448 6.228 ( 0.087 1.521 3.016) 3.379 6.238 ( -0.280 0.338 2.742) 2.777 6.371 ( 3.568 -0.229 -4.571) 5.803 6.391 ( 3.485 -2.258 -4.747) 6.307 ======================= Grid point 93 (51/84) ======================= q-point: (-0.25 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( -2.153 5.358 -0.352) 5.785 0.596 ( -1.766 -2.647 2.356) 3.959 0.742 ( 0.124 0.592 1.994) 2.084 0.791 ( -0.437 -3.002 1.191) 3.259 0.857 ( 1.456 1.516 -1.719) 2.716 0.900 ( 2.092 -1.834 -0.928) 2.932 0.981 ( 2.363 1.903 1.559) 3.411 1.024 ( -0.009 -2.087 -0.817) 2.241 1.089 ( -2.281 -0.384 0.254) 2.327 1.097 ( -2.678 -0.718 -0.898) 2.914 1.211 ( -1.267 3.422 -0.317) 3.663 1.251 ( -0.219 -0.409 -0.021) 0.465 1.559 ( 2.225 -0.681 0.567) 2.395 1.592 ( 2.726 -3.953 0.310) 4.812 1.781 ( 2.975 -0.289 -0.255) 3.000 1.785 ( 3.197 -0.704 -0.190) 3.279 1.952 ( -2.211 1.855 -0.234) 2.895 1.968 ( -1.563 0.143 -0.292) 1.597 2.099 ( 0.294 1.817 -1.183) 2.188 2.136 ( -0.066 -1.899 -1.816) 2.628 2.244 ( -0.095 2.369 -0.669) 2.464 2.294 ( 0.905 -2.670 0.039) 2.819 2.389 ( 0.629 0.843 1.388) 1.741 2.396 ( 0.863 0.172 0.482) 1.003 2.540 ( -1.650 3.765 1.929) 4.541 2.588 ( -1.242 -0.979 1.293) 2.042 2.743 ( -2.278 2.365 0.421) 3.310 2.761 ( -0.299 4.717 -1.168) 4.868 2.791 ( -3.212 -2.163 -3.480) 5.206 2.843 ( -0.053 -2.970 -0.992) 3.132 2.879 ( -0.650 -0.078 0.620) 0.901 2.897 ( -1.356 -0.959 1.620) 2.320 3.061 ( 0.888 1.806 0.749) 2.147 3.097 ( 0.899 -1.294 1.688) 2.309 3.163 ( -1.047 0.460 0.276) 1.176 3.185 ( -0.540 -1.587 0.169) 1.684 3.227 ( -1.518 0.259 -0.119) 1.545 3.232 ( -1.896 -0.407 -0.866) 2.124 3.317 ( -1.920 0.884 -2.092) 2.974 3.340 ( -1.564 -1.429 -2.104) 2.985 3.493 ( 3.478 2.833 2.373) 5.075 3.546 ( 3.909 -2.729 1.159) 4.906 4.190 ( 1.987 1.801 -1.231) 2.950 4.235 ( 2.716 -2.610 -1.223) 3.960 4.543 ( -5.917 1.557 1.078) 6.213 4.547 ( -7.057 1.549 0.827) 7.272 5.135 ( 0.033 0.224 -0.039) 0.230 5.141 ( 0.219 -0.444 -0.045) 0.497 6.095 ( -4.443 -1.134 0.034) 4.586 6.109 ( -4.615 -2.763 0.115) 5.380 6.307 ( -0.228 0.843 4.688) 4.768 6.311 ( 1.367 0.984 7.018) 7.218 6.367 ( 4.915 2.341 -7.217) 9.040 6.412 ( 7.855 -1.846 -4.535) 9.256 ======================= Grid point 94 (52/84) ======================= q-point: (-0.12 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.501 ( -0.260 7.479 1.958) 7.735 0.626 ( 1.235 -3.713 3.408) 5.189 0.713 ( -4.937 4.445 -2.404) 7.064 0.790 ( -1.723 -2.600 0.898) 3.246 0.836 ( 0.051 0.929 -3.924) 4.033 0.882 ( -0.987 -2.239 -3.063) 3.920 0.997 ( 1.482 0.230 -1.151) 1.891 1.018 ( -0.393 -1.607 -0.525) 1.736 1.063 ( -0.003 1.609 1.924) 2.508 1.100 ( -0.030 -1.562 2.591) 3.026 1.209 ( 0.702 2.061 0.658) 2.275 1.249 ( 0.653 -1.141 -0.046) 1.315 1.606 ( 1.827 -0.880 1.096) 2.305 1.638 ( 1.641 -4.232 0.739) 4.599 1.839 ( 3.918 0.277 -0.742) 3.997 1.847 ( 4.066 -0.558 -0.704) 4.164 1.926 ( -0.759 1.776 0.205) 1.942 1.949 ( -0.877 -0.534 0.490) 1.138 2.094 ( -0.401 0.715 0.342) 0.889 2.113 ( -1.525 -1.280 -0.042) 1.991 2.241 ( 1.118 2.973 -0.870) 3.293 2.285 ( 0.118 -1.357 -1.505) 2.030 2.407 ( 0.469 1.763 -0.963) 2.063 2.417 ( 0.043 0.875 1.246) 1.523 2.538 ( -1.750 2.158 1.687) 3.250 2.567 ( -3.273 -0.135 1.004) 3.427 2.698 ( -1.072 0.335 -1.338) 1.747 2.705 ( -3.050 -0.430 0.381) 3.104 2.761 ( 0.715 3.135 -0.335) 3.233 2.828 ( -0.251 -2.975 -0.962) 3.137 2.881 ( -0.978 0.824 1.650) 2.088 2.903 ( 0.353 -1.624 0.809) 1.848 3.072 ( 0.492 1.433 -1.209) 1.938 3.098 ( -1.091 -0.039 -1.760) 2.071 3.147 ( -0.830 -0.551 -0.211) 1.018 3.165 ( -1.308 -1.406 -0.621) 2.018 3.207 ( 0.639 0.087 -0.931) 1.132 3.213 ( 0.486 -0.488 -0.842) 1.087 3.291 ( -0.886 1.025 1.736) 2.202 3.316 ( -1.164 -1.472 2.341) 3.000 3.551 ( 1.386 2.802 0.132) 3.128 3.603 ( 2.120 -2.572 -0.332) 3.350 4.229 ( 3.203 2.640 0.174) 4.155 4.272 ( 2.504 -1.215 -0.269) 2.796 4.417 ( -7.023 2.152 -0.859) 7.395 4.450 ( -4.511 -2.055 -0.599) 4.994 5.136 ( 0.058 0.327 0.037) 0.334 5.144 ( 0.177 -0.572 -0.032) 0.600 6.021 ( -3.737 -0.747 0.041) 3.812 6.038 ( -3.461 -2.501 -0.056) 4.270 6.280 ( 0.171 0.974 -6.412) 6.488 6.293 ( 0.396 -0.297 -7.295) 7.311 6.483 ( 3.989 4.782 7.551) 9.787 6.561 ( 5.663 -3.264 6.121) 8.955 ======================= Grid point 119 (53/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 5.291 0.000 11.175) 12.364 0.481 ( 2.532 0.000 11.036) 11.322 0.667 ( -3.368 0.000 -6.570) 7.384 0.671 ( -3.713 0.000 -8.912) 9.655 0.764 ( -1.435 0.000 14.615) 14.686 1.012 ( 0.264 0.000 -5.552) 5.558 1.060 ( 2.023 0.000 0.444) 2.071 1.078 ( 0.117 0.000 -4.703) 4.704 1.146 ( 1.270 0.000 3.528) 3.749 1.167 ( -0.163 0.000 1.872) 1.879 1.211 ( -0.901 0.000 -3.430) 3.546 1.217 ( -0.079 0.000 -2.951) 2.952 1.699 ( 1.954 0.000 1.822) 2.671 1.749 ( -2.617 0.000 -3.282) 4.198 1.848 ( -3.436 0.000 2.295) 4.132 1.896 ( 4.227 0.000 -2.738) 5.037 1.990 ( 1.133 0.000 0.032) 1.133 1.996 ( -1.816 0.000 -0.528) 1.891 2.111 ( -0.959 0.000 -0.085) 0.962 2.112 ( 1.652 0.000 -0.001) 1.652 2.127 ( -1.601 0.000 1.101) 1.943 2.147 ( 1.114 0.000 -1.118) 1.578 2.362 ( -3.131 0.000 3.910) 5.009 2.425 ( 2.348 0.000 3.106) 3.894 2.438 ( 3.143 0.000 -3.786) 4.921 2.465 ( -3.396 0.000 -1.100) 3.569 2.546 ( 1.542 0.000 4.119) 4.398 2.633 ( -1.083 0.000 -4.791) 4.912 2.791 ( 0.163 0.000 1.252) 1.263 2.825 ( -1.639 0.000 -2.243) 2.777 2.947 ( 1.590 0.000 1.634) 2.280 2.974 ( -2.003 0.000 -0.660) 2.109 3.006 ( 0.803 0.000 0.255) 0.842 3.008 ( 0.440 0.000 0.470) 0.644 3.200 ( -1.766 0.000 -0.331) 1.797 3.200 ( 1.110 0.000 -0.395) 1.178 3.262 ( -1.923 0.000 0.687) 2.043 3.262 ( 3.768 0.000 0.439) 3.794 3.357 ( -2.270 0.000 -0.139) 2.275 3.357 ( -0.011 0.000 -0.244) 0.244 3.520 ( -3.337 0.000 3.341) 4.722 3.585 ( 5.388 0.000 -3.298) 6.317 4.170 ( 0.364 0.000 0.540) 0.652 4.180 ( -0.502 0.000 -0.485) 0.698 4.366 ( -0.865 0.000 8.533) 8.576 4.535 ( 1.113 0.000 -8.656) 8.727 5.145 ( -0.144 0.000 0.733) 0.747 5.160 ( 0.127 0.000 -0.750) 0.761 6.103 ( 0.336 0.000 1.190) 1.236 6.117 ( 0.050 0.000 0.057) 0.076 6.143 ( 1.083 0.000 -0.562) 1.220 6.147 ( -1.110 0.000 -0.641) 1.282 6.533 ( -0.724 0.000 7.200) 7.236 6.671 ( 0.402 0.000 -6.842) 6.853 ======================= Grid point 120 (54/84) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.484 ( -2.143 0.000 -11.419) 11.618 0.518 ( -2.055 0.000 -8.994) 9.226 0.637 ( -1.027 0.000 10.449) 10.499 0.661 ( 3.565 0.000 9.453) 10.103 0.957 ( 6.671 0.000 -13.112) 14.711 0.975 ( 5.974 0.000 9.969) 11.622 1.016 ( -3.104 0.000 -0.277) 3.117 1.068 ( -1.232 0.000 -0.042) 1.233 1.131 ( -3.244 0.000 -2.677) 4.206 1.182 ( 0.131 0.000 -1.364) 1.370 1.204 ( 0.435 0.000 1.872) 1.922 1.210 ( 1.567 0.000 1.517) 2.181 1.678 ( -1.666 0.000 -2.102) 2.682 1.755 ( -0.246 0.000 2.913) 2.923 1.786 ( -5.310 0.000 2.071) 5.699 1.917 ( 2.555 0.000 -2.770) 3.768 1.966 ( -1.645 0.000 0.376) 1.687 2.025 ( 1.948 0.000 0.282) 1.968 2.070 ( -4.988 0.000 2.345) 5.512 2.085 ( -1.294 0.000 -1.246) 1.796 2.156 ( 1.902 0.000 -0.355) 1.935 2.187 ( 4.807 0.000 0.580) 4.841 2.368 ( -0.938 0.000 2.919) 3.066 2.414 ( -1.781 0.000 -2.042) 2.710 2.427 ( 0.713 0.000 -3.074) 3.156 2.498 ( 1.013 0.000 -0.345) 1.071 2.587 ( 2.813 0.000 -1.529) 3.202 2.628 ( 2.053 0.000 4.064) 4.554 2.800 ( 0.415 0.000 0.585) 0.717 2.840 ( 2.189 0.000 1.645) 2.738 2.927 ( -1.945 0.000 -1.350) 2.367 2.986 ( 0.650 0.000 1.573) 1.702 3.019 ( 0.818 0.000 -1.168) 1.426 3.030 ( 2.684 0.000 -1.120) 2.908 3.179 ( -5.540 0.000 -1.001) 5.629 3.181 ( -0.457 0.000 0.953) 1.057 3.227 ( 1.345 0.000 0.626) 1.483 3.261 ( -2.082 0.000 -1.005) 2.312 3.354 ( 0.996 0.000 1.453) 1.762 3.377 ( -0.304 0.000 0.184) 0.355 3.496 ( -2.497 0.000 2.452) 3.500 3.602 ( 2.234 0.000 -4.584) 5.099 4.185 ( 1.611 0.000 -0.347) 1.648 4.203 ( 2.623 0.000 0.559) 2.682 4.422 ( -1.666 0.000 -8.709) 8.867 4.434 ( -2.804 0.000 8.139) 8.608 5.151 ( -0.217 0.000 0.733) 0.765 5.152 ( 0.025 0.000 -0.707) 0.707 6.092 ( -1.723 0.000 -0.764) 1.885 6.096 ( -2.444 0.000 -0.045) 2.445 6.113 ( -1.667 0.000 0.546) 1.754 6.149 ( -0.458 0.000 0.235) 0.514 6.626 ( 3.423 0.000 -6.780) 7.596 6.643 ( 2.793 0.000 6.867) 7.413 ======================= Grid point 121 (55/84) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 7.849 0.000 -5.482) 9.573 0.413 ( 1.482 0.000 -6.598) 6.763 0.711 ( -4.672 0.000 10.846) 11.810 0.818 ( 2.944 0.000 6.251) 6.910 0.911 ( 1.767 0.000 -5.689) 5.957 0.993 ( 1.425 0.000 -5.003) 5.202 1.030 ( -2.148 0.000 -1.109) 2.418 1.039 ( -1.532 0.000 -2.638) 3.050 1.142 ( 4.034 0.000 2.447) 4.718 1.169 ( 0.829 0.000 -1.622) 1.821 1.225 ( -0.808 0.000 1.915) 2.078 1.244 ( 1.032 0.000 0.210) 1.053 1.639 ( -0.958 0.000 -1.120) 1.474 1.679 ( -6.305 0.000 2.133) 6.656 1.826 ( 1.492 0.000 2.599) 2.997 1.916 ( 1.520 0.000 -3.375) 3.702 1.949 ( -1.538 0.000 1.597) 2.218 2.027 ( -1.583 0.000 1.751) 2.360 2.037 ( -1.342 0.000 -2.534) 2.867 2.071 ( 0.220 0.000 2.658) 2.667 2.182 ( 1.289 0.000 0.383) 1.345 2.297 ( 3.802 0.000 1.863) 4.234 2.352 ( -1.102 0.000 -2.978) 3.175 2.377 ( -1.649 0.000 1.899) 2.515 2.392 ( -0.180 0.000 -2.146) 2.154 2.463 ( 0.068 0.000 -3.494) 3.494 2.658 ( 2.733 0.000 0.465) 2.772 2.713 ( 1.912 0.000 4.748) 5.118 2.821 ( -1.471 0.000 1.096) 1.835 2.864 ( 0.033 0.000 -0.648) 0.649 2.890 ( -0.263 0.000 0.041) 0.266 2.988 ( -1.349 0.000 1.215) 1.816 3.007 ( 0.594 0.000 -2.250) 2.327 3.072 ( 4.296 0.000 -2.488) 4.964 3.129 ( 0.059 0.000 1.361) 1.362 3.181 ( -1.989 0.000 0.851) 2.163 3.253 ( 2.843 0.000 -0.187) 2.850 3.254 ( 0.112 0.000 1.171) 1.177 3.335 ( -2.388 0.000 -1.500) 2.820 3.386 ( 1.182 0.000 0.922) 1.499 3.506 ( -0.947 0.000 3.215) 3.351 3.560 ( -0.640 0.000 -4.421) 4.467 4.220 ( 2.503 0.000 -0.058) 2.504 4.261 ( 3.335 0.000 0.132) 3.338 4.311 ( 0.024 0.000 -6.154) 6.154 4.460 ( -3.744 0.000 5.365) 6.542 5.145 ( 0.057 0.000 -0.537) 0.540 5.154 ( -0.370 0.000 0.514) 0.634 6.039 ( -3.372 0.000 -0.094) 3.373 6.067 ( -1.652 0.000 1.193) 2.038 6.119 ( -0.457 0.000 3.656) 3.685 6.142 ( -0.502 0.000 1.344) 1.435 6.608 ( 3.739 0.000 -7.002) 7.938 6.734 ( 0.635 0.000 1.828) 1.935 ======================= Grid point 122 (56/84) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.431 ( 5.468 0.000 -0.655) 5.507 0.591 ( 11.559 0.000 3.629) 12.115 0.743 ( -6.881 0.000 11.223) 13.164 0.808 ( -3.061 0.000 -3.641) 4.757 0.893 ( -4.384 0.000 -1.755) 4.722 0.970 ( -2.165 0.000 -2.815) 3.552 0.979 ( 4.664 0.000 2.513) 5.298 1.053 ( 4.002 0.000 -2.972) 4.985 1.156 ( 0.700 0.000 -2.507) 2.603 1.181 ( 0.851 0.000 -1.107) 1.396 1.221 ( -1.782 0.000 1.267) 2.187 1.257 ( 0.852 0.000 -1.958) 2.135 1.612 ( -0.859 0.000 -0.742) 1.136 1.627 ( -3.021 0.000 2.031) 3.641 1.856 ( -0.111 0.000 0.141) 0.179 1.894 ( 0.654 0.000 -3.249) 3.314 1.952 ( -1.884 0.000 2.372) 3.029 2.014 ( 2.367 0.000 -0.435) 2.406 2.025 ( -0.052 0.000 -0.544) 0.546 2.106 ( -0.622 0.000 3.510) 3.565 2.192 ( -0.317 0.000 -0.702) 0.770 2.278 ( -1.245 0.000 -3.284) 3.512 2.340 ( 0.950 0.000 0.118) 0.957 2.368 ( -0.755 0.000 2.239) 2.363 2.408 ( -0.765 0.000 -0.157) 0.781 2.467 ( 3.653 0.000 0.008) 3.653 2.657 ( 0.339 0.000 -3.280) 3.298 2.761 ( -3.752 0.000 -1.530) 4.052 2.800 ( 0.973 0.000 5.033) 5.126 2.869 ( 0.521 0.000 0.970) 1.101 2.916 ( -0.180 0.000 3.219) 3.224 2.996 ( -1.025 0.000 1.999) 2.246 3.000 ( 2.086 0.000 -2.457) 3.223 3.088 ( 2.315 0.000 -4.339) 4.918 3.154 ( -1.608 0.000 0.433) 1.665 3.160 ( 1.139 0.000 0.094) 1.143 3.243 ( -1.699 0.000 0.785) 1.872 3.300 ( 1.966 0.000 -0.673) 2.078 3.317 ( 0.732 0.000 0.935) 1.187 3.430 ( 3.299 0.000 0.158) 3.303 3.488 ( -1.831 0.000 -3.260) 3.739 3.521 ( -2.232 0.000 3.221) 3.918 4.258 ( 2.011 0.000 0.287) 2.031 4.295 ( 3.300 0.000 -2.074) 3.897 4.306 ( 2.007 0.000 -0.476) 2.063 4.430 ( -4.587 0.000 1.724) 4.900 5.143 ( 0.245 0.000 -0.326) 0.408 5.151 ( -0.500 0.000 0.222) 0.547 5.994 ( -2.035 0.000 0.619) 2.127 6.042 ( -2.208 0.000 0.139) 2.212 6.186 ( 0.356 0.000 7.460) 7.468 6.191 ( 0.870 0.000 5.833) 5.897 6.583 ( 3.630 0.000 -7.738) 8.547 6.698 ( -2.342 0.000 -4.612) 5.173 ======================= Grid point 123 (57/84) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 6.271 0.000 3.857) 7.362 0.641 ( -6.822 0.000 -4.862) 8.377 0.745 ( -8.194 0.000 10.562) 13.368 0.811 ( 2.964 0.000 3.575) 4.644 0.892 ( 7.358 0.000 -0.546) 7.379 0.892 ( -1.917 0.000 -4.441) 4.837 1.036 ( 1.616 0.000 -0.930) 1.864 1.109 ( -1.461 0.000 -4.658) 4.882 1.112 ( 2.104 0.000 3.507) 4.090 1.182 ( -0.515 0.000 -3.534) 3.571 1.200 ( -1.560 0.000 0.624) 1.681 1.217 ( 0.222 0.000 -1.334) 1.352 1.607 ( 0.921 0.000 0.213) 0.945 1.608 ( -1.074 0.000 0.386) 1.141 1.842 ( -1.451 0.000 0.651) 1.590 1.865 ( -0.264 0.000 -1.757) 1.776 1.955 ( -0.638 0.000 2.716) 2.790 2.012 ( 1.096 0.000 -2.735) 2.947 2.084 ( 3.462 0.000 1.573) 3.803 2.107 ( -2.761 0.000 0.245) 2.772 2.181 ( -0.365 0.000 1.275) 1.327 2.233 ( 0.124 0.000 -3.048) 3.050 2.341 ( -0.753 0.000 1.693) 1.853 2.385 ( 0.696 0.000 -2.326) 2.428 2.437 ( 2.829 0.000 3.505) 4.505 2.487 ( -1.680 0.000 -1.371) 2.168 2.649 ( 2.214 0.000 -0.026) 2.215 2.674 ( -3.818 0.000 -2.088) 4.351 2.857 ( -0.329 0.000 3.764) 3.778 2.889 ( 0.818 0.000 0.242) 0.853 2.948 ( -0.832 0.000 3.461) 3.559 2.985 ( -1.776 0.000 0.222) 1.790 3.020 ( 2.704 0.000 -1.120) 2.927 3.054 ( 0.391 0.000 -4.673) 4.689 3.145 ( -0.179 0.000 0.607) 0.633 3.156 ( -0.460 0.000 -0.861) 0.976 3.254 ( 0.323 0.000 2.347) 2.369 3.295 ( -0.578 0.000 -1.702) 1.798 3.357 ( 1.564 0.000 2.021) 2.555 3.398 ( -2.506 0.000 -2.331) 3.423 3.499 ( -3.746 0.000 1.692) 4.110 3.522 ( 5.125 0.000 -0.619) 5.162 4.293 ( 0.433 0.000 1.081) 1.164 4.312 ( -0.508 0.000 -0.725) 0.886 4.353 ( 5.326 0.000 -0.355) 5.338 4.355 ( -4.749 0.000 -0.587) 4.785 5.144 ( -0.493 0.000 0.083) 0.500 5.146 ( 0.480 0.000 -0.159) 0.506 5.992 ( 0.558 0.000 1.080) 1.216 6.011 ( -0.572 0.000 -0.834) 1.011 6.282 ( -0.560 0.000 7.409) 7.430 6.284 ( 0.795 0.000 6.657) 6.704 6.559 ( 4.007 0.000 -6.296) 7.463 6.569 ( -4.440 0.000 -6.724) 8.058 ======================= Grid point 124 (58/84) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -8.404 0.000 -3.387) 9.061 0.659 ( -11.559 0.000 3.538) 12.088 0.709 ( 3.472 0.000 1.733) 3.880 0.824 ( -2.701 0.000 2.545) 3.711 0.889 ( 2.632 0.000 3.759) 4.588 0.957 ( 4.901 0.000 -8.876) 10.139 1.014 ( -2.018 0.000 -3.820) 4.320 1.092 ( 1.600 0.000 4.587) 4.858 1.098 ( -2.469 0.000 -3.870) 4.591 1.150 ( -0.462 0.000 1.992) 2.045 1.215 ( 0.866 0.000 1.861) 2.052 1.241 ( 2.144 0.000 -0.684) 2.251 1.606 ( 0.732 0.000 0.045) 0.733 1.649 ( 3.644 0.000 0.042) 3.645 1.834 ( -1.919 0.000 2.826) 3.416 1.853 ( 0.070 0.000 0.053) 0.087 1.989 ( 0.621 0.000 2.525) 2.600 2.002 ( 1.668 0.000 -3.023) 3.453 2.039 ( -2.727 0.000 -2.329) 3.586 2.140 ( 1.197 0.000 0.817) 1.449 2.201 ( 0.117 0.000 -2.358) 2.361 2.207 ( -0.039 0.000 3.615) 3.615 2.363 ( -0.083 0.000 2.852) 2.853 2.378 ( 0.577 0.000 -3.495) 3.542 2.415 ( -1.108 0.000 -2.415) 2.657 2.499 ( 0.099 0.000 -0.073) 0.123 2.593 ( -3.635 0.000 1.198) 3.828 2.714 ( 2.812 0.000 2.806) 3.973 2.883 ( 0.179 0.000 0.592) 0.618 2.893 ( 0.441 0.000 -3.809) 3.835 2.944 ( -2.489 0.000 1.733) 3.033 2.972 ( -1.436 0.000 4.204) 4.443 3.002 ( -0.535 0.000 -4.347) 4.380 3.052 ( 1.606 0.000 -0.851) 1.818 3.151 ( -0.047 0.000 0.613) 0.614 3.152 ( 0.673 0.000 0.555) 0.873 3.264 ( -0.229 0.000 -1.040) 1.065 3.279 ( -0.848 0.000 1.522) 1.743 3.341 ( -1.712 0.000 -1.404) 2.214 3.404 ( -0.128 0.000 2.530) 2.534 3.452 ( -1.926 0.000 0.636) 2.028 3.581 ( 3.846 0.000 -2.825) 4.772 4.271 ( -3.804 0.000 -0.707) 3.869 4.277 ( -2.662 0.000 -0.399) 2.692 4.292 ( -1.879 0.000 0.965) 2.113 4.454 ( 6.674 0.000 -0.661) 6.706 5.138 ( -0.349 0.000 0.168) 0.388 5.154 ( 0.618 0.000 -0.128) 0.632 6.009 ( 1.649 0.000 -0.912) 1.884 6.033 ( 2.678 0.000 0.873) 2.817 6.301 ( -1.178 0.000 -2.303) 2.587 6.335 ( 0.415 0.000 -4.580) 4.599 6.436 ( -5.802 0.000 4.271) 7.205 6.598 ( 3.191 0.000 2.750) 4.212 ======================= Grid point 125 (59/84) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( -6.788 0.000 2.981) 7.414 0.404 ( -13.698 0.000 -4.502) 14.419 0.711 ( -11.067 0.000 10.822) 15.479 0.894 ( 3.030 0.000 3.560) 4.675 0.897 ( 1.351 0.000 -8.061) 8.174 0.953 ( -1.227 0.000 -3.755) 3.950 0.986 ( 2.187 0.000 3.599) 4.211 1.040 ( 0.950 0.000 -1.595) 1.857 1.127 ( -0.156 0.000 1.636) 1.644 1.179 ( 0.064 0.000 -0.679) 0.682 1.241 ( 1.577 0.000 0.246) 1.596 1.259 ( 1.297 0.000 -1.408) 1.914 1.629 ( 1.588 0.000 0.009) 1.588 1.722 ( 6.154 0.000 -1.854) 6.428 1.843 ( -1.781 0.000 3.935) 4.319 1.856 ( -0.161 0.000 -0.530) 0.554 1.989 ( 0.099 0.000 -1.016) 1.021 2.007 ( 2.050 0.000 -1.371) 2.466 2.023 ( 0.338 0.000 1.334) 1.376 2.133 ( -0.175 0.000 -2.329) 2.335 2.197 ( 0.346 0.000 -0.622) 0.712 2.270 ( 1.146 0.000 4.769) 4.905 2.316 ( -1.454 0.000 -0.458) 1.525 2.376 ( -5.493 0.000 1.687) 5.747 2.424 ( 3.043 0.000 -2.665) 4.045 2.430 ( -0.198 0.000 -2.232) 2.241 2.609 ( -1.295 0.000 5.080) 5.243 2.779 ( -1.337 0.000 0.599) 1.465 2.824 ( 0.928 0.000 -2.236) 2.421 2.874 ( -0.188 0.000 -1.518) 1.529 2.929 ( -2.622 0.000 -3.128) 4.082 2.965 ( 0.866 0.000 1.732) 1.936 2.995 ( -1.691 0.000 3.729) 4.094 3.032 ( -1.553 0.000 -1.561) 2.202 3.161 ( 0.839 0.000 -1.352) 1.591 3.184 ( 1.860 0.000 0.610) 1.957 3.251 ( -2.825 0.000 -0.120) 2.828 3.271 ( 0.882 0.000 -0.081) 0.885 3.312 ( 0.081 0.000 0.445) 0.453 3.396 ( -0.861 0.000 0.029) 0.862 3.480 ( 0.154 0.000 3.667) 3.670 3.578 ( 1.029 0.000 -4.561) 4.676 4.221 ( -2.510 0.000 -0.273) 2.525 4.227 ( -2.597 0.000 2.290) 3.462 4.257 ( -3.010 0.000 0.489) 3.049 4.545 ( 6.404 0.000 -3.308) 7.208 5.136 ( -0.186 0.000 0.372) 0.416 5.162 ( 0.557 0.000 -0.306) 0.636 6.042 ( 2.863 0.000 -0.358) 2.885 6.088 ( 2.760 0.000 -0.336) 2.780 6.214 ( -1.693 0.000 -6.431) 6.650 6.220 ( -2.108 0.000 -6.683) 7.008 6.461 ( -3.339 0.000 8.141) 8.799 6.702 ( 2.259 0.000 5.189) 5.660 ======================= Grid point 126 (60/84) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.263 ( -1.330 0.000 10.519) 10.603 0.331 ( -0.784 0.000 10.218) 10.248 0.668 ( -11.046 0.000 15.824) 19.298 0.808 ( -1.385 0.000 -7.186) 7.319 0.828 ( -2.604 0.000 -7.479) 7.919 1.001 ( 2.948 0.000 1.894) 3.504 1.038 ( -0.218 0.000 1.873) 1.885 1.078 ( 2.376 0.000 2.211) 3.246 1.133 ( -0.651 0.000 -4.175) 4.225 1.149 ( 0.784 0.000 0.496) 0.928 1.250 ( 0.247 0.000 -2.362) 2.375 1.254 ( 0.801 0.000 -2.712) 2.828 1.656 ( 1.681 0.000 0.232) 1.697 1.803 ( 3.378 0.000 -1.977) 3.914 1.837 ( 2.971 0.000 -2.920) 4.166 1.858 ( -1.958 0.000 3.347) 3.878 1.989 ( 1.416 0.000 -2.056) 2.497 2.027 ( -1.043 0.000 0.158) 1.055 2.055 ( 2.654 0.000 1.832) 3.225 2.112 ( 1.047 0.000 -1.718) 2.012 2.168 ( -1.004 0.000 -1.916) 2.164 2.206 ( -7.901 0.000 -1.504) 8.042 2.350 ( 1.606 0.000 3.795) 4.121 2.352 ( -1.225 0.000 4.590) 4.751 2.434 ( 2.581 0.000 -3.493) 4.343 2.470 ( 2.173 0.000 2.085) 3.011 2.584 ( -6.060 0.000 -0.621) 6.092 2.705 ( -1.949 0.000 -3.507) 4.012 2.825 ( -2.722 0.000 -1.569) 3.142 2.867 ( 0.069 0.000 -0.788) 0.791 2.897 ( 1.682 0.000 1.546) 2.285 2.991 ( -2.619 0.000 2.592) 3.684 2.994 ( 0.351 0.000 1.222) 1.271 3.010 ( 0.341 0.000 -0.760) 0.833 3.169 ( 3.740 0.000 -0.278) 3.751 3.202 ( -0.289 0.000 -1.201) 1.236 3.234 ( 1.344 0.000 1.692) 2.161 3.248 ( -1.508 0.000 -1.362) 2.032 3.371 ( 2.572 0.000 0.961) 2.746 3.379 ( -0.755 0.000 -1.112) 1.344 3.516 ( -1.626 0.000 4.280) 4.578 3.539 ( 1.112 0.000 -2.042) 2.325 4.179 ( -1.911 0.000 0.268) 1.930 4.210 ( -2.449 0.000 -0.170) 2.455 4.269 ( 0.666 0.000 6.761) 6.793 4.579 ( 4.458 0.000 -6.693) 8.042 5.140 ( -0.121 0.000 0.582) 0.594 5.164 ( 0.336 0.000 -0.588) 0.677 6.089 ( 2.392 0.000 0.361) 2.419 6.091 ( -0.186 0.000 -1.161) 1.175 6.147 ( -0.020 0.000 -2.581) 2.581 6.158 ( 0.278 0.000 -0.756) 0.806 6.491 ( -3.346 0.000 6.941) 7.705 6.744 ( 0.037 0.000 -2.911) 2.912 ======================= Grid point 127 (61/84) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 4.122 -2.666 11.000) 12.046 0.510 ( 0.471 1.630 10.589) 10.724 0.616 ( -4.579 -3.042 -9.478) 10.957 0.693 ( -0.251 0.530 -8.255) 8.276 0.846 ( 0.368 6.144 12.962) 14.349 1.025 ( -1.169 -1.608 0.509) 2.052 1.034 ( 1.107 -1.610 -0.257) 1.971 1.058 ( -0.016 -1.975 -7.330) 7.592 1.133 ( 0.983 -1.116 1.060) 1.826 1.140 ( 0.861 -3.382 -0.062) 3.490 1.191 ( -0.078 1.741 -0.157) 1.750 1.224 ( -0.832 0.428 -2.470) 2.641 1.739 ( 1.771 3.230 2.355) 4.372 1.796 ( -2.125 3.870 -3.167) 5.433 1.851 ( -2.575 -0.504 1.102) 2.846 1.878 ( 1.577 -4.536 -1.640) 5.074 1.907 ( -2.207 -4.662 0.212) 5.163 1.918 ( 3.487 -2.401 -1.100) 4.374 2.117 ( -2.855 -0.289 0.714) 2.957 2.122 ( 1.509 0.048 0.013) 1.510 2.189 ( 1.761 4.253 0.863) 4.683 2.210 ( -0.080 4.611 -1.527) 4.858 2.332 ( 0.521 -2.421 3.832) 4.562 2.391 ( -2.199 -1.995 -1.257) 3.224 2.465 ( -0.581 3.103 0.881) 3.277 2.497 ( 1.727 1.970 -1.282) 2.917 2.577 ( 2.430 2.533 3.415) 4.898 2.651 ( -2.868 1.219 -3.937) 5.021 2.804 ( -0.405 1.146 1.374) 1.835 2.835 ( -0.548 1.066 -1.798) 2.160 2.940 ( 0.970 -0.515 1.967) 2.253 2.974 ( -0.908 -0.690 -1.524) 1.903 2.989 ( -0.335 -1.406 0.268) 1.470 2.996 ( 0.833 -0.932 -0.245) 1.273 3.193 ( 1.057 -0.530 0.120) 1.189 3.197 ( -2.260 -0.934 -0.199) 2.454 3.237 ( -0.309 -1.835 0.495) 1.925 3.242 ( 2.493 -1.695 0.095) 3.016 3.346 ( 0.366 -0.130 1.509) 1.558 3.379 ( -1.701 1.519 -1.938) 2.992 3.506 ( -1.734 -0.866 5.125) 5.480 3.600 ( 2.771 0.549 -4.613) 5.410 4.194 ( 0.259 2.379 0.636) 2.476 4.205 ( -0.129 2.471 -0.503) 2.525 4.343 ( -0.517 -1.619 7.718) 7.903 4.497 ( 0.774 -3.502 -7.816) 8.600 5.144 ( -0.121 -0.126 0.670) 0.692 5.157 ( 0.112 -0.270 -0.668) 0.729 6.083 ( 1.141 -2.050 1.142) 2.609 6.103 ( -0.799 -1.261 -0.936) 1.762 6.116 ( -0.042 -2.435 -0.576) 2.502 6.127 ( -0.101 -1.606 -1.629) 2.290 6.583 ( -0.461 4.408 7.463) 8.680 6.711 ( 0.160 3.095 -5.520) 6.330 ======================= Grid point 128 (62/84) ======================= q-point: ( 0.12 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -0.187 -0.939 -8.919) 8.970 0.557 ( -0.747 1.416 -3.515) 3.863 0.619 ( 0.118 -0.717 4.946) 4.999 0.660 ( 4.523 0.236 8.229) 9.393 0.970 ( 2.766 -0.623 -10.033) 10.426 0.991 ( -1.467 -1.993 0.985) 2.663 1.021 ( 2.796 1.965 6.415) 7.269 1.055 ( 1.279 0.352 0.304) 1.361 1.112 ( -2.856 -2.068 -1.344) 3.773 1.137 ( 0.146 -3.856 -1.818) 4.266 1.187 ( -0.443 0.410 0.165) 0.626 1.213 ( 0.038 0.330 1.870) 1.899 1.714 ( -2.559 2.980 -2.099) 4.453 1.782 ( -5.552 0.696 1.789) 5.874 1.817 ( 0.880 3.565 2.086) 4.223 1.875 ( -1.070 -5.503 0.909) 5.679 1.885 ( 0.461 -5.051 -0.572) 5.105 1.956 ( 2.529 -1.929 -1.822) 3.665 2.066 ( -4.665 -0.395 2.166) 5.158 2.165 ( 1.684 2.539 -0.806) 3.151 2.190 ( 2.081 1.607 -0.546) 2.685 2.216 ( 1.087 3.980 -0.547) 4.162 2.357 ( 0.641 -1.425 -2.618) 3.049 2.401 ( 0.456 0.973 2.849) 3.045 2.463 ( -0.434 -0.445 2.123) 2.212 2.505 ( 1.801 2.938 -2.624) 4.332 2.566 ( -1.192 1.143 -2.268) 2.806 2.693 ( 4.479 2.914 3.650) 6.471 2.813 ( -0.491 1.612 0.119) 1.689 2.835 ( 1.122 -0.546 1.140) 1.690 2.932 ( -1.336 0.519 -1.245) 1.899 2.969 ( 0.248 -1.735 0.751) 1.906 3.002 ( 1.250 -1.663 -0.702) 2.196 3.017 ( 2.327 -1.030 -0.149) 2.549 3.173 ( -1.278 -1.011 1.228) 2.041 3.174 ( -3.587 -0.282 -1.299) 3.826 3.222 ( 0.986 -0.582 0.770) 1.379 3.256 ( -0.175 -0.417 -1.879) 1.932 3.344 ( 0.093 -0.596 0.591) 0.845 3.384 ( 0.139 0.921 1.161) 1.488 3.516 ( -2.231 1.441 2.606) 3.721 3.586 ( 1.514 -1.693 -3.869) 4.486 4.213 ( 1.827 2.733 -0.710) 3.363 4.225 ( 2.544 2.191 0.496) 3.394 4.395 ( -1.244 -2.286 -7.658) 8.088 4.412 ( -2.025 -1.875 7.221) 7.730 5.149 ( -0.191 -0.217 0.310) 0.424 5.151 ( -0.011 -0.181 -0.299) 0.349 6.056 ( -1.854 -1.527 -0.382) 2.432 6.081 ( -1.285 -2.073 0.763) 2.556 6.126 ( 0.626 0.585 -0.309) 0.911 6.157 ( 1.884 -0.553 0.353) 1.995 6.641 ( 0.349 1.570 -6.195) 6.401 6.660 ( -0.220 1.703 6.001) 6.242 ======================= Grid point 129 (63/84) ======================= q-point: ( 0.25 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 5.746 4.037 -2.607) 7.490 0.469 ( 3.755 5.013 -6.744) 9.204 0.693 ( -3.038 -1.317 9.165) 9.744 0.825 ( 3.196 0.049 6.718) 7.439 0.906 ( -0.112 -0.885 -4.084) 4.180 0.977 ( 1.651 -1.957 -5.374) 5.953 1.018 ( -1.909 -1.167 -0.534) 2.300 1.031 ( -2.371 -0.870 -1.585) 2.981 1.124 ( 1.087 -3.281 -1.970) 3.979 1.156 ( 2.271 1.229 2.390) 3.518 1.196 ( -0.786 -2.390 0.276) 2.531 1.227 ( 1.353 -1.095 0.754) 1.897 1.658 ( -1.795 1.273 -1.115) 2.467 1.687 ( -6.085 0.560 1.497) 6.292 1.852 ( 0.583 -0.436 0.765) 1.056 1.871 ( -0.899 -5.728 0.863) 5.862 1.905 ( 1.359 -0.131 0.685) 1.528 1.959 ( 0.940 -1.535 -2.322) 2.938 2.042 ( -1.972 -0.004 3.611) 4.114 2.132 ( -0.375 2.237 -2.306) 3.235 2.213 ( -0.737 1.863 -0.762) 2.143 2.283 ( 3.983 -0.952 2.354) 4.724 2.322 ( 0.605 -0.076 -3.305) 3.361 2.422 ( -0.948 4.183 2.083) 4.768 2.455 ( -1.838 2.980 -0.803) 3.592 2.489 ( 1.195 3.166 -3.633) 4.965 2.602 ( 3.764 -2.199 2.600) 5.076 2.766 ( -1.582 1.075 -0.214) 1.924 2.808 ( 0.418 -0.084 2.521) 2.557 2.868 ( 1.249 -0.528 1.593) 2.092 2.893 ( -1.909 0.853 -2.079) 2.949 2.964 ( 0.288 -1.387 0.149) 1.424 3.021 ( 1.234 0.343 -0.441) 1.355 3.055 ( 2.990 -0.790 -1.391) 3.391 3.136 ( -0.072 0.656 1.510) 1.648 3.185 ( -1.025 0.223 0.473) 1.151 3.230 ( 2.667 -1.966 -0.386) 3.336 3.261 ( 0.309 0.719 0.922) 1.209 3.343 ( -0.757 -0.224 -0.851) 1.160 3.386 ( 0.247 0.377 0.497) 0.671 3.513 ( -1.315 0.682 2.017) 2.502 3.550 ( -1.254 -0.988 -2.829) 3.248 4.243 ( 2.242 2.191 -0.533) 3.180 4.265 ( 1.657 -0.430 -3.231) 3.657 4.324 ( 2.097 2.254 -1.267) 3.329 4.445 ( -2.723 -1.293 5.040) 5.873 5.143 ( 0.029 -0.184 -0.460) 0.497 5.151 ( -0.354 -0.254 0.429) 0.612 6.048 ( -1.062 0.623 2.685) 2.954 6.084 ( -1.128 0.982 1.423) 2.064 6.122 ( 0.014 1.258 1.688) 2.105 6.173 ( -0.501 2.059 0.652) 2.217 6.583 ( 1.750 -2.163 -6.624) 7.185 6.694 ( -1.061 -3.585 0.689) 3.802 ======================= Grid point 130 (64/84) ======================= q-point: ( 0.38 0.14 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.456 ( 5.177 2.658 -2.154) 6.206 0.638 ( 9.045 4.268 3.798) 10.698 0.732 ( -3.884 -0.590 7.659) 8.608 0.821 ( -4.199 0.532 -0.891) 4.326 0.883 ( -3.681 -1.149 -2.242) 4.461 0.942 ( 0.244 -1.810 0.252) 1.844 0.997 ( 1.941 -0.230 -0.837) 2.126 1.035 ( 2.549 -1.728 -0.202) 3.086 1.126 ( 1.923 -2.239 -2.550) 3.901 1.153 ( -2.271 -3.892 -0.652) 4.553 1.184 ( -0.151 -0.280 0.482) 0.578 1.259 ( 1.115 -0.323 -1.855) 2.188 1.621 ( -1.247 0.265 -0.584) 1.402 1.634 ( -2.606 0.128 1.447) 2.984 1.854 ( -0.643 -3.691 0.330) 3.761 1.871 ( 0.321 -2.748 -0.794) 2.878 1.925 ( -0.484 0.776 0.628) 1.109 1.942 ( 1.155 -1.487 -2.464) 3.101 2.065 ( -0.568 0.701 2.778) 2.921 2.122 ( 1.463 0.292 -1.241) 1.941 2.181 ( -0.917 0.467 -0.021) 1.029 2.323 ( 1.454 0.874 -0.309) 1.724 2.357 ( 1.457 0.284 3.362) 3.674 2.377 ( -2.710 4.284 -2.564) 5.681 2.441 ( -0.887 3.421 -0.834) 3.631 2.487 ( 2.052 1.917 -0.838) 2.931 2.651 ( 0.770 0.121 -1.954) 2.104 2.762 ( -0.331 -1.633 4.514) 4.811 2.796 ( -1.840 1.210 -2.041) 3.002 2.872 ( 0.107 -0.312 1.525) 1.560 2.909 ( 0.245 -0.748 2.848) 2.955 2.985 ( 1.568 -0.158 -0.232) 1.593 3.029 ( 0.107 2.073 -0.409) 2.115 3.071 ( 1.401 -1.027 -2.672) 3.187 3.160 ( 0.452 0.408 -0.674) 0.908 3.171 ( 0.110 0.456 1.089) 1.186 3.247 ( -1.642 0.435 0.648) 1.818 3.298 ( 2.638 -0.310 0.668) 2.739 3.330 ( 0.538 0.745 -0.537) 1.064 3.415 ( 2.482 -1.454 0.592) 2.936 3.479 ( -2.247 -0.794 -3.201) 3.991 3.512 ( -2.413 -0.559 2.328) 3.399 4.240 ( 1.657 -1.867 -2.464) 3.508 4.272 ( 1.073 -0.472 -0.964) 1.518 4.385 ( 2.406 5.495 1.921) 6.299 4.447 ( -1.829 2.090 2.399) 3.670 5.141 ( 0.207 -0.163 -0.274) 0.380 5.148 ( -0.462 -0.271 0.199) 0.572 6.041 ( -2.118 4.403 0.857) 4.960 6.072 ( -1.661 2.776 0.958) 3.373 6.190 ( 0.264 0.298 4.462) 4.480 6.193 ( 0.995 0.394 6.845) 6.929 6.539 ( 2.645 -4.262 -7.392) 8.933 6.639 ( -2.105 -5.699 -5.058) 7.905 ======================= Grid point 131 (65/84) ======================= q-point: (-0.50 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.566 ( 6.386 0.949 2.846) 7.055 0.637 ( -6.663 -0.095 -3.766) 7.654 0.761 ( -7.626 1.024 8.610) 11.547 0.815 ( 1.362 0.266 3.423) 3.693 0.879 ( 1.797 -0.815 -1.890) 2.732 0.904 ( 4.790 0.358 -3.738) 6.086 1.025 ( 0.734 -2.773 -0.154) 2.872 1.062 ( -0.527 -3.812 -0.893) 3.950 1.132 ( 2.090 -0.239 1.009) 2.333 1.159 ( 1.456 -0.713 0.063) 1.622 1.167 ( -1.167 -1.637 -0.456) 2.062 1.205 ( -2.802 0.435 -3.560) 4.552 1.613 ( -0.023 -0.028 0.522) 0.523 1.618 ( 0.023 0.124 0.010) 0.127 1.850 ( -0.009 -3.195 0.109) 3.197 1.857 ( -0.539 -1.274 -0.754) 1.576 1.908 ( -2.227 -0.017 1.670) 2.784 1.946 ( 1.469 -2.694 -1.875) 3.596 2.081 ( -0.587 0.434 1.738) 1.885 2.123 ( 1.417 -0.281 -2.625) 2.996 2.223 ( 2.385 2.584 3.683) 5.092 2.293 ( -2.851 2.276 -3.190) 4.846 2.350 ( 0.654 2.117 1.251) 2.544 2.392 ( -0.085 1.186 -1.956) 2.289 2.439 ( 1.828 0.998 2.336) 3.130 2.481 ( -1.508 0.029 -1.578) 2.183 2.662 ( 1.071 1.768 1.667) 2.655 2.711 ( -2.290 2.750 -3.205) 4.804 2.837 ( 0.484 -1.474 4.291) 4.563 2.883 ( 0.131 -0.918 -0.322) 0.982 2.948 ( -0.220 -0.365 3.747) 3.771 2.995 ( -1.873 0.571 -0.226) 1.971 3.022 ( 2.042 0.351 -1.520) 2.570 3.045 ( 0.568 -0.519 -3.807) 3.884 3.160 ( -0.167 1.097 0.734) 1.331 3.173 ( -0.337 1.483 -0.432) 1.581 3.259 ( 0.791 0.566 2.368) 2.560 3.302 ( -0.976 0.613 -1.969) 2.282 3.356 ( 1.235 -0.124 1.951) 2.312 3.399 ( -2.092 0.096 -2.442) 3.217 3.472 ( -2.474 -2.632 1.972) 4.116 3.501 ( 3.519 -2.027 -1.017) 4.186 4.248 ( -1.238 -2.752 -0.127) 3.020 4.263 ( 1.752 -3.151 -1.669) 3.973 4.429 ( -0.332 6.523 1.974) 6.823 4.447 ( 0.385 6.545 0.109) 6.557 5.142 ( -0.419 -0.183 0.088) 0.465 5.144 ( 0.411 -0.199 -0.139) 0.478 6.034 ( 0.443 4.119 0.875) 4.234 6.050 ( -0.402 3.755 -0.664) 3.835 6.271 ( 0.132 -0.868 7.247) 7.300 6.291 ( 0.139 0.285 6.729) 6.736 6.498 ( 1.729 -5.887 -6.489) 8.930 6.519 ( -2.249 -4.833 -7.109) 8.885 ======================= Grid point 132 (66/84) ======================= q-point: (-0.38 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -7.973 0.983 -2.994) 8.573 0.684 ( -9.293 2.255 4.944) 10.765 0.716 ( 3.836 0.454 1.380) 4.102 0.826 ( -2.279 -0.272 0.757) 2.417 0.887 ( 2.717 -0.319 3.524) 4.461 0.947 ( 3.643 -1.394 -8.044) 8.940 1.014 ( -1.093 -1.119 -2.845) 3.247 1.065 ( 1.021 -1.956 2.678) 3.470 1.094 ( -3.288 -0.507 -3.026) 4.497 1.141 ( 0.483 -0.863 0.586) 1.150 1.187 ( 1.282 -2.476 0.325) 2.808 1.212 ( 0.854 -0.364 2.648) 2.807 1.617 ( 0.828 0.044 0.047) 0.831 1.652 ( 3.424 -0.255 -0.224) 3.441 1.847 ( -0.375 -0.366 0.490) 0.717 1.857 ( 0.114 -1.455 0.703) 1.620 1.896 ( -1.856 -2.944 2.244) 4.142 1.944 ( 0.714 -2.688 -1.147) 3.009 2.091 ( -0.287 -0.206 1.453) 1.495 2.109 ( 0.617 0.936 -2.508) 2.748 2.216 ( -1.281 0.792 -2.797) 3.177 2.308 ( 1.075 6.037 3.404) 7.013 2.349 ( -0.002 -0.895 -1.228) 1.520 2.396 ( 1.173 1.257 1.054) 2.017 2.423 ( -1.886 1.123 -2.307) 3.185 2.489 ( 0.696 0.356 0.902) 1.194 2.624 ( -3.422 2.989 -0.240) 4.550 2.730 ( 2.007 1.342 3.083) 3.916 2.857 ( -0.258 -1.997 -2.422) 3.149 2.889 ( 0.655 -0.826 -0.729) 1.282 2.944 ( -2.551 -0.032 1.376) 2.899 2.974 ( -1.752 -0.467 1.556) 2.389 3.003 ( -0.079 0.608 -1.372) 1.502 3.053 ( 1.840 0.335 -0.947) 2.096 3.160 ( -0.634 1.011 -0.331) 1.239 3.178 ( 0.989 1.700 0.674) 2.079 3.261 ( -0.579 -0.297 -0.811) 1.040 3.288 ( -1.026 0.701 1.413) 1.882 3.342 ( -1.844 0.103 -1.565) 2.421 3.402 ( -0.110 -0.131 2.414) 2.420 3.433 ( -1.089 -1.827 0.941) 2.326 3.558 ( 3.980 -2.106 -2.242) 5.030 4.210 ( -2.272 -2.692 0.420) 3.547 4.272 ( -0.195 -0.939 -0.695) 1.184 4.409 ( -2.686 7.938 -0.347) 8.387 4.475 ( 2.967 2.683 -0.526) 4.035 5.137 ( -0.298 -0.085 0.144) 0.342 5.151 ( 0.554 -0.301 -0.119) 0.642 6.054 ( 1.966 4.163 -0.643) 4.648 6.076 ( 3.039 4.193 0.467) 5.199 6.299 ( -1.173 -0.291 -3.314) 3.527 6.332 ( -0.066 -0.331 -5.125) 5.136 6.392 ( -4.671 -4.214 5.314) 8.235 6.525 ( 2.304 -6.864 3.555) 8.066 ======================= Grid point 133 (67/84) ======================= q-point: (-0.25 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.342 ( -5.419 3.484 3.873) 7.516 0.484 ( -11.301 6.927 -3.768) 13.780 0.741 ( -7.626 2.209 7.248) 10.750 0.854 ( 0.561 -2.088 -1.385) 2.568 0.907 ( 2.474 -0.994 -0.875) 2.806 0.945 ( -1.039 -0.473 -3.365) 3.554 0.995 ( 1.574 0.330 1.850) 2.452 1.026 ( 0.828 -1.013 -1.316) 1.856 1.089 ( -0.027 -3.336 1.457) 3.640 1.182 ( 0.515 -0.233 -0.261) 0.623 1.202 ( 1.533 -3.598 -0.600) 3.957 1.233 ( 0.578 -0.829 0.153) 1.022 1.644 ( 2.030 0.475 0.205) 2.095 1.723 ( 6.245 -0.414 -1.629) 6.468 1.853 ( -0.871 0.309 2.096) 2.291 1.862 ( -0.095 -1.088 -0.162) 1.105 1.900 ( -0.153 -4.164 1.295) 4.364 1.947 ( 0.508 -2.499 -0.622) 2.625 2.096 ( 0.950 2.552 -1.122) 2.945 2.101 ( -0.128 -1.917 0.324) 1.948 2.200 ( 1.058 0.145 0.412) 1.144 2.295 ( -1.725 1.416 -0.856) 2.390 2.334 ( -3.851 1.149 -2.135) 4.550 2.408 ( 1.368 0.182 1.734) 2.216 2.420 ( -0.863 4.527 3.202) 5.612 2.482 ( 1.209 3.729 -2.404) 4.599 2.600 ( -2.936 0.337 2.739) 4.030 2.787 ( -1.816 -0.635 -1.106) 2.219 2.803 ( 1.816 -1.068 0.973) 2.321 2.880 ( -0.084 0.225 -0.474) 0.532 2.917 ( -2.254 -1.181 -2.819) 3.797 2.955 ( 0.312 -0.923 1.140) 1.499 3.008 ( -1.538 1.343 1.937) 2.815 3.042 ( -1.164 1.276 -1.235) 2.124 3.161 ( 1.125 0.135 -0.215) 1.153 3.190 ( 0.822 0.117 -1.205) 1.463 3.244 ( -2.866 -0.816 -1.114) 3.181 3.276 ( 0.518 0.387 0.255) 0.696 3.312 ( -0.738 -0.418 1.587) 1.799 3.393 ( -0.793 -0.548 -0.267) 1.000 3.478 ( 0.640 0.003 3.345) 3.405 3.577 ( 2.681 -0.040 -3.394) 4.326 4.197 ( -1.088 -1.466 2.421) 3.033 4.241 ( -2.325 1.642 -0.211) 2.854 4.338 ( -4.166 6.117 -1.420) 7.536 4.523 ( 4.544 -1.815 -2.934) 5.705 5.136 ( -0.162 -0.071 0.319) 0.365 5.158 ( 0.517 -0.365 -0.263) 0.685 6.091 ( 2.455 3.832 -0.250) 4.558 6.122 ( 2.573 3.142 -2.799) 4.932 6.207 ( -1.664 -0.625 -4.519) 4.856 6.211 ( -2.753 -0.989 -6.671) 7.284 6.441 ( -1.822 -1.645 7.824) 8.200 6.637 ( 2.826 -5.502 6.554) 9.011 ======================= Grid point 134 (68/84) ======================= q-point: (-0.12 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.310 ( -5.671 5.720 4.013) 8.999 0.384 ( -0.597 4.285 9.996) 10.892 0.720 ( -6.233 3.693 10.427) 12.696 0.794 ( -0.746 -0.890 -4.951) 5.086 0.810 ( -4.632 -1.214 -6.630) 8.178 0.986 ( 2.701 -1.816 1.216) 3.475 1.038 ( -0.009 -0.435 1.293) 1.365 1.071 ( 2.804 -0.621 2.147) 3.585 1.108 ( -0.060 -2.994 0.835) 3.108 1.152 ( 0.043 -0.998 -4.126) 4.246 1.199 ( 0.130 -0.976 -0.917) 1.345 1.250 ( 1.381 -1.079 -2.050) 2.697 1.686 ( 2.357 2.115 0.616) 3.226 1.819 ( 6.873 0.010 -1.988) 7.155 1.851 ( -0.411 0.680 -1.161) 1.406 1.860 ( -0.966 -0.014 1.749) 1.998 1.908 ( 0.548 -5.929 -1.276) 6.089 1.934 ( -1.106 -3.047 -0.333) 3.259 2.102 ( 1.800 -0.980 -1.308) 2.431 2.133 ( 1.846 3.118 1.997) 4.137 2.188 ( -5.670 -1.137 0.202) 5.786 2.233 ( -0.733 4.205 -2.397) 4.896 2.291 ( -0.413 -1.272 3.195) 3.464 2.437 ( -1.093 2.754 3.832) 4.844 2.464 ( 0.472 3.098 -1.835) 3.632 2.475 ( 0.800 0.962 0.255) 1.277 2.548 ( -2.421 0.143 -0.221) 2.435 2.750 ( -3.026 1.276 -1.714) 3.705 2.821 ( -0.874 -0.685 -0.650) 1.287 2.850 ( -0.728 -0.478 -0.155) 0.884 2.908 ( 0.982 0.576 1.169) 1.632 2.972 ( 0.923 -2.313 0.051) 2.491 2.995 ( -0.979 0.371 0.526) 1.171 3.014 ( -1.278 0.904 -0.120) 1.570 3.167 ( 2.409 0.136 -1.006) 2.614 3.196 ( -0.487 -1.218 -1.089) 1.705 3.216 ( 1.556 -1.145 1.398) 2.385 3.247 ( -2.167 -0.122 -1.127) 2.445 3.345 ( -0.290 -2.200 0.953) 2.415 3.390 ( 0.823 1.437 1.009) 1.940 3.494 ( -2.378 -0.897 2.306) 3.432 3.592 ( 3.186 2.351 -2.671) 4.776 4.200 ( -1.854 1.829 0.776) 2.718 4.225 ( -1.147 0.807 1.344) 1.942 4.274 ( -1.634 1.891 3.218) 4.074 4.542 ( 3.496 -3.512 -5.876) 7.687 5.139 ( -0.098 -0.097 0.527) 0.545 5.161 ( 0.315 -0.342 -0.508) 0.689 6.079 ( -0.751 -0.894 -2.748) 2.986 6.115 ( 0.983 1.264 -1.360) 2.100 6.123 ( -0.570 -1.439 -2.129) 2.632 6.171 ( -1.062 0.240 -0.992) 1.473 6.507 ( -1.027 1.790 7.469) 7.749 6.731 ( 2.723 -1.021 -0.481) 2.947 ======================= Grid point 135 (69/84) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 0.861 3.244 5.878) 6.769 0.554 ( -0.014 2.886 7.066) 7.633 0.578 ( -3.287 -0.291 -8.064) 8.713 0.704 ( 0.800 0.778 -6.764) 6.855 0.861 ( 1.389 -5.243 3.989) 6.732 0.917 ( -0.403 -8.074 -2.442) 8.445 1.010 ( 1.093 -0.288 1.642) 1.994 1.039 ( -1.209 -1.812 -0.988) 2.392 1.108 ( -0.390 2.144 3.311) 3.964 1.168 ( 0.934 3.570 -1.114) 3.854 1.226 ( -0.904 0.438 0.683) 1.214 1.245 ( 0.563 2.281 -1.451) 2.762 1.733 ( -0.680 -5.139 1.799) 5.487 1.753 ( 0.062 -6.440 -0.434) 6.455 1.833 ( 1.550 1.994 0.067) 2.526 1.854 ( -0.981 1.716 -1.200) 2.312 1.915 ( -2.867 2.810 -0.342) 4.030 1.921 ( 3.008 1.467 -0.816) 3.445 2.107 ( -3.322 -0.727 0.869) 3.510 2.113 ( 2.419 -0.897 0.163) 2.585 2.248 ( 1.497 2.040 1.274) 2.833 2.280 ( 0.532 2.735 -2.123) 3.503 2.297 ( 0.310 -0.980 3.012) 3.182 2.371 ( -0.639 -0.506 -3.461) 3.555 2.520 ( -2.800 2.125 1.496) 3.820 2.541 ( 1.270 2.342 0.448) 2.702 2.621 ( 2.667 2.157 1.517) 3.750 2.673 ( -2.517 1.182 -2.463) 3.714 2.823 ( -0.566 0.864 2.404) 2.617 2.857 ( 0.995 0.885 -0.372) 1.383 2.924 ( 0.319 -1.970 1.883) 2.744 2.953 ( -0.273 0.078 -1.900) 1.922 2.958 ( -0.035 -1.515 0.070) 1.517 2.994 ( -0.491 0.275 -2.609) 2.669 3.165 ( -1.637 -2.028 0.801) 2.727 3.176 ( 1.026 -1.455 -0.300) 1.806 3.210 ( 1.865 -1.315 -0.148) 2.286 3.213 ( -0.441 -0.848 -0.451) 1.057 3.359 ( 1.252 1.544 2.984) 3.586 3.418 ( -2.196 2.509 -3.198) 4.620 3.488 ( -0.226 -1.053 5.766) 5.866 3.589 ( 0.645 -1.601 -4.625) 4.936 4.249 ( 0.483 3.012 0.868) 3.172 4.262 ( 0.490 3.086 -0.477) 3.161 4.329 ( -0.407 0.279 4.605) 4.631 4.427 ( 0.108 -3.436 -5.080) 6.134 5.141 ( -0.066 -0.108 0.486) 0.502 5.151 ( 0.074 -0.376 -0.447) 0.589 6.032 ( 0.820 -2.903 0.828) 3.128 6.050 ( -0.684 -3.471 -0.961) 3.666 6.092 ( -0.453 -0.517 -1.874) 1.996 6.102 ( 0.392 -0.882 -2.889) 3.046 6.669 ( -0.185 4.180 6.541) 7.765 6.756 ( -0.094 1.364 -2.176) 2.570 ======================= Grid point 136 (70/84) ======================= q-point: ( 0.12 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.474 ( 2.597 3.390 -3.860) 5.756 0.562 ( 2.952 0.364 6.512) 7.159 0.638 ( 0.904 1.957 -3.033) 3.721 0.679 ( 4.039 1.826 3.639) 5.735 0.875 ( -0.260 -7.004 -2.695) 7.509 0.910 ( 0.589 -6.662 0.959) 6.757 1.006 ( -0.317 -1.938 -0.523) 2.032 1.052 ( 0.284 -2.992 -0.162) 3.010 1.128 ( -0.142 2.842 1.679) 3.303 1.136 ( -1.274 3.597 -2.524) 4.575 1.206 ( -2.079 1.323 1.023) 2.668 1.233 ( -0.837 1.641 -0.357) 1.877 1.706 ( -3.517 -4.979 0.683) 6.134 1.743 ( -1.819 -5.635 -0.317) 5.930 1.805 ( -1.896 1.554 -0.909) 2.614 1.837 ( -3.545 1.183 0.679) 3.798 1.900 ( 2.663 2.596 0.275) 3.729 1.952 ( 1.605 1.121 -0.242) 1.973 2.061 ( -3.178 0.140 1.299) 3.436 2.163 ( 2.427 -1.289 -1.131) 2.972 2.231 ( -0.696 1.928 -0.712) 2.170 2.284 ( 1.122 2.908 -1.450) 3.437 2.344 ( 2.024 -0.243 -3.734) 4.254 2.378 ( 3.086 -2.181 4.441) 5.831 2.499 ( -1.943 3.426 2.649) 4.746 2.565 ( 0.944 2.223 -1.028) 2.625 2.615 ( -0.208 3.457 -2.204) 4.105 2.715 ( 4.252 -0.059 2.976) 5.190 2.817 ( -1.624 -0.766 -1.287) 2.209 2.859 ( -0.610 1.852 -0.176) 1.958 2.925 ( 0.210 -1.377 0.352) 1.437 2.953 ( 0.086 0.775 -1.772) 1.936 2.969 ( 1.751 -1.545 0.769) 2.458 3.000 ( 1.929 -0.793 1.672) 2.673 3.147 ( -0.600 -1.518 0.725) 1.786 3.175 ( -1.877 0.399 -0.969) 2.150 3.207 ( 1.105 -1.096 0.541) 1.648 3.228 ( 1.290 -2.591 -1.271) 3.161 3.353 ( -1.480 1.918 -1.777) 3.005 3.419 ( 0.539 2.549 2.756) 3.792 3.528 ( -0.717 -0.968 -1.227) 1.720 3.545 ( -0.408 -2.000 0.822) 2.201 4.272 ( 2.114 2.816 -1.667) 3.895 4.276 ( 1.990 2.875 -0.359) 3.515 4.360 ( -0.632 -0.966 -3.989) 4.153 4.379 ( -0.857 -1.343 5.044) 5.290 5.144 ( -0.175 -0.228 0.075) 0.297 5.146 ( -0.059 -0.272 -0.100) 0.295 6.032 ( 0.348 -1.141 -0.147) 1.202 6.051 ( 0.326 -1.082 0.568) 1.265 6.114 ( 2.679 -1.590 0.558) 3.165 6.123 ( 3.607 -2.309 0.046) 4.283 6.679 ( -3.675 2.095 -4.382) 6.091 6.696 ( -3.978 1.718 3.750) 5.730 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.25 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.534 ( 4.041 4.481 -3.438) 6.945 0.593 ( 5.177 7.713 -1.856) 9.473 0.676 ( -0.930 -0.257 6.749) 6.817 0.804 ( 1.674 -2.541 4.990) 5.844 0.851 ( 1.405 -5.501 -2.897) 6.374 0.919 ( 0.727 -2.239 -0.424) 2.392 0.988 ( -2.492 -3.508 -0.754) 4.369 1.007 ( -2.841 -0.355 -0.629) 2.931 1.104 ( 1.832 1.044 -1.872) 2.820 1.152 ( -0.713 -1.591 -0.368) 1.782 1.193 ( -0.807 2.003 0.985) 2.373 1.215 ( 0.656 -0.105 0.130) 0.677 1.645 ( -3.402 -3.162 -0.111) 4.646 1.675 ( -4.520 -2.812 -0.782) 5.380 1.776 ( -1.324 -2.036 0.916) 2.596 1.819 ( -0.416 -0.872 0.926) 1.338 1.931 ( 1.992 0.945 -1.658) 2.759 1.977 ( 1.068 2.201 -0.338) 2.470 2.041 ( -1.038 0.035 1.887) 2.154 2.134 ( -1.121 -1.422 -1.953) 2.663 2.244 ( 0.240 2.043 -2.582) 3.301 2.304 ( 1.968 2.493 3.116) 4.449 2.332 ( 1.588 0.602 -3.092) 3.528 2.462 ( 1.040 -1.050 0.402) 1.532 2.516 ( 0.061 4.615 2.892) 5.447 2.555 ( 0.535 2.198 -1.175) 2.549 2.622 ( 1.988 4.210 0.745) 4.715 2.742 ( -3.209 -1.907 -2.638) 4.571 2.809 ( 2.261 -0.918 2.760) 3.684 2.844 ( -1.263 -1.827 0.586) 2.297 2.917 ( -0.548 1.542 -2.735) 3.187 2.956 ( 2.306 0.517 -0.060) 2.364 3.014 ( 1.980 -0.452 1.288) 2.405 3.060 ( 2.382 0.555 1.087) 2.677 3.152 ( -0.567 1.024 0.997) 1.538 3.182 ( 2.756 -1.750 1.817) 3.736 3.190 ( -0.672 -0.990 -1.975) 2.309 3.266 ( 2.195 -2.052 1.137) 3.212 3.312 ( -1.551 -0.381 -1.414) 2.133 3.414 ( -1.398 1.499 -1.155) 2.352 3.507 ( 0.216 -1.135 -0.996) 1.526 3.544 ( -2.586 0.340 1.878) 3.214 4.252 ( 0.221 -0.309 -5.001) 5.016 4.282 ( 0.930 1.224 -2.180) 2.667 4.384 ( 3.256 3.275 3.320) 5.688 4.429 ( 0.409 0.110 4.886) 4.904 5.139 ( -0.035 -0.204 -0.310) 0.373 5.145 ( -0.314 -0.361 0.257) 0.542 6.062 ( 1.017 0.870 2.766) 3.073 6.094 ( 1.955 0.391 3.439) 3.975 6.146 ( 1.289 0.362 -0.560) 1.451 6.190 ( 2.356 -0.646 0.780) 2.564 6.553 ( -3.494 -0.426 -5.592) 6.608 6.629 ( -5.256 -2.710 -1.045) 6.006 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.38 0.29 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 3.957 4.416 -3.948) 7.124 0.708 ( -1.477 1.157 4.663) 5.026 0.742 ( 4.884 2.945 3.409) 6.645 0.798 ( -3.335 -3.065 -1.235) 4.695 0.842 ( 1.128 -4.069 -3.016) 5.189 0.906 ( -2.192 -3.217 -1.022) 4.025 0.934 ( -1.259 -1.002 1.437) 2.157 1.031 ( 2.597 -0.507 2.684) 3.769 1.080 ( -4.296 -2.014 -2.134) 5.203 1.128 ( 1.886 0.907 0.175) 2.100 1.197 ( 0.170 1.277 -0.130) 1.295 1.255 ( 2.008 0.240 -0.005) 2.022 1.601 ( -1.280 -2.893 -0.678) 3.235 1.607 ( -2.659 -2.588 0.232) 3.718 1.768 ( -0.829 -3.041 0.673) 3.223 1.817 ( -0.339 -2.248 -0.526) 2.334 1.948 ( 1.925 1.587 -1.244) 2.788 1.976 ( 0.174 2.525 -0.783) 2.649 2.062 ( 0.723 -0.581 1.536) 1.795 2.112 ( 0.265 -0.970 -0.889) 1.342 2.205 ( -0.750 1.958 -0.781) 2.238 2.325 ( 0.729 -0.395 -1.555) 1.762 2.378 ( 0.570 2.070 3.779) 4.346 2.441 ( -0.287 1.725 -2.600) 3.133 2.522 ( -0.975 3.272 -3.795) 5.105 2.536 ( -0.492 3.548 0.640) 3.639 2.679 ( 1.048 2.747 0.166) 2.945 2.724 ( 1.378 -1.554 5.367) 5.755 2.815 ( -1.322 -0.241 -1.851) 2.288 2.854 ( 0.035 -1.357 1.756) 2.219 2.900 ( 0.499 0.522 0.288) 0.778 2.990 ( 1.994 0.586 -0.373) 2.112 3.047 ( 1.098 -0.513 -1.041) 1.598 3.077 ( -0.841 1.489 -0.963) 1.962 3.166 ( -0.178 0.083 -0.019) 0.198 3.174 ( 1.593 0.388 1.388) 2.148 3.253 ( -0.105 -0.133 0.518) 0.545 3.284 ( 2.619 -1.160 1.007) 3.036 3.314 ( 1.395 -2.358 0.985) 2.911 3.385 ( -0.120 -1.621 -0.677) 1.761 3.473 ( -2.162 0.574 -2.280) 3.194 3.510 ( -2.883 0.236 0.400) 2.921 4.209 ( 0.934 -1.169 -3.421) 3.734 4.252 ( -1.200 -1.633 -2.218) 3.004 4.489 ( 2.367 4.953 5.014) 7.435 4.511 ( 2.472 4.160 4.036) 6.302 5.137 ( 0.119 -0.188 -0.153) 0.270 5.142 ( -0.343 -0.347 0.141) 0.508 6.118 ( 0.183 1.922 3.731) 4.201 6.132 ( -1.143 3.916 0.140) 4.082 6.192 ( 1.975 -0.076 4.506) 4.920 6.213 ( 0.018 1.402 1.391) 1.975 6.448 ( -0.579 -4.350 -6.159) 7.562 6.519 ( -2.923 -5.993 -5.078) 8.381 ======================= Grid point 139 (73/84) ======================= q-point: (-0.50 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 5.223 1.878 0.824) 5.612 0.641 ( -5.371 0.436 -3.594) 6.478 0.753 ( -4.700 -2.540 5.837) 7.913 0.815 ( 0.229 -0.761 1.609) 1.794 0.862 ( -1.089 -1.504 -1.078) 2.147 0.879 ( 5.527 -2.891 -3.486) 7.145 0.944 ( 0.272 -2.783 1.902) 3.382 0.994 ( -0.921 -2.181 -2.938) 3.773 1.108 ( 2.135 -0.883 2.564) 3.451 1.142 ( -0.835 -1.059 -0.689) 1.514 1.210 ( 0.367 4.171 1.905) 4.600 1.249 ( -1.259 3.170 -1.891) 3.900 1.584 ( -0.904 -2.987 0.399) 3.146 1.590 ( 0.717 -2.881 -0.263) 2.980 1.770 ( -0.086 -3.126 1.200) 3.350 1.797 ( -0.379 -3.153 -1.377) 3.461 1.959 ( 0.401 2.531 -0.140) 2.566 1.965 ( -0.714 3.705 -0.792) 3.855 2.082 ( -0.729 -0.274 1.054) 1.311 2.113 ( 2.277 -0.795 -2.294) 3.329 2.238 ( 2.507 -0.108 3.350) 4.186 2.295 ( -2.345 -0.743 -2.284) 3.357 2.382 ( -0.355 0.358 0.358) 0.618 2.416 ( -0.992 0.430 -2.427) 2.656 2.493 ( 0.355 3.905 1.244) 4.113 2.525 ( -0.116 4.360 -1.152) 4.511 2.711 ( 0.919 3.101 2.433) 4.047 2.757 ( -2.005 1.915 -1.966) 3.399 2.815 ( 1.907 -0.554 2.944) 3.551 2.857 ( -0.231 -1.529 -1.016) 1.850 2.933 ( 0.380 -1.055 3.673) 3.840 2.997 ( -1.828 -0.788 -1.735) 2.641 3.028 ( 0.595 0.399 -1.286) 1.472 3.047 ( 0.402 0.883 -2.068) 2.285 3.174 ( -0.149 0.026 1.440) 1.448 3.194 ( -0.053 0.515 -0.454) 0.688 3.277 ( 1.774 1.313 2.042) 3.007 3.311 ( -1.117 0.203 -1.343) 1.759 3.350 ( 0.697 -0.609 2.400) 2.572 3.398 ( -0.995 -0.755 -1.546) 1.987 3.421 ( -0.248 -1.582 0.854) 1.815 3.458 ( 0.031 -2.060 -1.919) 2.815 4.201 ( -1.024 -2.117 -1.054) 2.577 4.209 ( 1.438 -2.464 -1.845) 3.397 4.560 ( -0.215 6.685 3.213) 7.420 4.576 ( 0.446 6.329 1.737) 6.578 5.138 ( -0.237 -0.196 0.087) 0.319 5.140 ( 0.251 -0.236 -0.083) 0.355 6.123 ( 0.520 4.518 0.399) 4.565 6.129 ( -0.299 3.795 -0.061) 3.807 6.247 ( 0.094 -1.532 5.511) 5.721 6.289 ( 0.421 -0.991 6.447) 6.536 6.373 ( 0.077 -5.762 -6.898) 8.988 6.417 ( -1.034 -4.934 -6.419) 8.162 ======================= Grid point 140 (74/84) ======================= q-point: (-0.38 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.497 ( -6.222 2.663 -1.373) 6.906 0.710 ( 3.853 -0.014 3.076) 4.930 0.728 ( -5.967 -0.259 5.010) 7.796 0.806 ( -1.720 -0.627 -2.152) 2.825 0.861 ( 3.992 -4.154 -2.182) 6.160 0.896 ( 1.444 -2.239 -1.084) 2.877 0.958 ( 1.000 -2.141 -0.185) 2.370 1.037 ( 4.130 -2.297 0.581) 4.761 1.091 ( -1.859 0.391 -2.766) 3.356 1.136 ( -2.156 0.333 -0.381) 2.215 1.187 ( -1.565 2.621 0.535) 3.099 1.242 ( -0.618 2.755 1.530) 3.211 1.585 ( 0.582 -2.984 0.578) 3.095 1.617 ( 2.930 -3.342 -0.329) 4.457 1.783 ( 0.550 -3.444 -0.761) 3.570 1.794 ( 0.659 -2.729 1.526) 3.195 1.934 ( -2.001 3.433 0.123) 3.975 1.961 ( -0.576 2.368 0.676) 2.529 2.074 ( -0.548 -0.629 -0.102) 0.841 2.124 ( 1.668 -0.195 -2.069) 2.664 2.224 ( -1.471 0.479 -2.280) 2.755 2.318 ( 1.622 -1.655 0.713) 2.424 2.382 ( -0.102 1.276 0.787) 1.503 2.407 ( -0.023 -0.145 2.794) 2.798 2.483 ( -1.376 4.897 -0.351) 5.099 2.538 ( 1.721 3.802 -0.049) 4.174 2.694 ( -2.535 4.071 -1.488) 5.021 2.758 ( 0.176 1.411 3.473) 3.753 2.819 ( -0.529 -1.764 -3.747) 4.175 2.864 ( 0.819 -1.450 -0.054) 1.666 2.930 ( -2.142 -1.751 -1.347) 3.077 2.965 ( -2.438 -0.242 2.836) 3.748 3.019 ( 0.639 1.030 0.100) 1.216 3.067 ( 2.269 0.992 -0.171) 2.482 3.179 ( -0.874 0.582 -0.476) 1.153 3.196 ( 0.788 0.010 -0.121) 0.797 3.255 ( -1.912 -0.154 -0.813) 2.083 3.295 ( -2.256 -0.121 0.825) 2.406 3.340 ( -2.693 -0.394 -2.290) 3.557 3.383 ( -1.208 -2.486 -0.274) 2.778 3.417 ( 2.712 1.170 3.396) 4.501 3.517 ( 4.472 -1.905 -0.440) 4.880 4.172 ( -0.955 -1.285 0.325) 1.634 4.236 ( 2.266 -2.577 -0.402) 3.455 4.552 ( -2.497 5.396 -0.028) 5.946 4.557 ( -2.891 6.321 -1.523) 7.116 5.135 ( -0.179 -0.068 0.077) 0.206 5.144 ( 0.381 -0.395 -0.095) 0.557 6.134 ( 1.034 3.254 -0.272) 3.425 6.168 ( 3.827 4.759 -0.402) 6.120 6.262 ( -3.332 -4.521 -3.079) 6.405 6.307 ( -1.674 -2.209 -4.603) 5.372 6.335 ( 0.925 -0.538 2.720) 2.923 6.392 ( 1.853 -5.409 6.229) 8.455 ======================= Grid point 141 (75/84) ======================= q-point: (-0.25 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.432 ( -3.282 5.508 4.333) 7.738 0.627 ( -7.445 7.535 -1.540) 10.704 0.749 ( -1.980 -1.661 0.822) 2.712 0.806 ( 0.377 -3.031 0.293) 3.069 0.865 ( 2.275 -3.917 -2.897) 5.377 0.946 ( -0.416 0.785 -2.474) 2.629 0.962 ( 1.129 -3.206 1.734) 3.816 1.014 ( 1.108 -0.346 -0.912) 1.476 1.070 ( -2.765 1.970 1.211) 3.605 1.133 ( 1.441 -1.976 1.169) 2.711 1.192 ( 0.614 -0.452 0.469) 0.895 1.232 ( -0.281 1.051 -0.764) 1.330 1.621 ( 2.227 -2.691 1.337) 3.740 1.680 ( 5.060 -4.195 -0.596) 6.600 1.794 ( 1.637 -2.947 -0.785) 3.461 1.824 ( 1.181 -1.573 0.731) 2.099 1.905 ( -1.923 2.384 0.642) 3.130 1.962 ( -0.635 1.504 1.111) 1.975 2.067 ( 0.655 -0.694 -0.770) 1.226 2.125 ( 1.100 0.001 -0.956) 1.457 2.207 ( -0.156 1.070 0.811) 1.352 2.303 ( -1.225 -0.371 -0.744) 1.481 2.372 ( -3.117 2.723 -2.794) 4.994 2.421 ( 0.009 0.880 3.197) 3.316 2.509 ( 0.580 3.951 3.732) 5.466 2.556 ( 0.828 3.574 -1.154) 3.846 2.642 ( -2.762 3.945 -0.605) 4.854 2.744 ( -0.419 -2.504 -3.446) 4.280 2.798 ( -1.411 -0.471 3.571) 3.868 2.870 ( 0.753 -1.732 -0.909) 2.096 2.894 ( -0.764 -0.671 -0.968) 1.404 2.942 ( -2.146 -0.171 1.354) 2.543 3.032 ( -0.132 1.001 -0.257) 1.042 3.079 ( -1.032 2.199 -1.097) 2.665 3.163 ( 0.744 -0.069 0.204) 0.775 3.188 ( 0.503 -0.278 -2.094) 2.171 3.219 ( -3.351 -1.504 -1.840) 4.108 3.271 ( -0.153 -2.633 2.581) 3.690 3.292 ( -1.447 0.196 -0.871) 1.700 3.376 ( -0.405 -1.247 1.737) 2.176 3.489 ( 1.482 1.333 1.590) 2.550 3.574 ( 3.655 -0.444 -1.399) 3.939 4.181 ( 0.188 -0.055 2.209) 2.217 4.260 ( 0.447 -0.211 0.220) 0.541 4.450 ( -5.610 5.113 -3.163) 8.223 4.503 ( -0.878 0.257 -2.550) 2.709 5.134 ( -0.086 -0.041 0.192) 0.214 5.149 ( 0.407 -0.519 -0.163) 0.680 6.123 ( -2.695 -1.014 -0.925) 3.025 6.157 ( -2.313 -1.876 -3.563) 4.644 6.196 ( -0.368 1.549 -5.480) 5.707 6.216 ( 0.514 1.455 -3.850) 4.148 6.424 ( 2.161 0.440 7.377) 7.700 6.546 ( 5.835 -3.427 7.340) 9.983 ======================= Grid point 142 (76/84) ======================= q-point: (-0.12 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -4.261 6.627 0.690) 7.908 0.490 ( -4.224 7.734 4.615) 9.948 0.727 ( -0.466 -1.244 -6.012) 6.157 0.783 ( -2.587 -1.971 0.825) 3.355 0.801 ( -2.769 -1.097 -0.962) 3.130 0.923 ( 1.363 -4.844 -0.545) 5.061 1.008 ( 0.252 -2.904 -0.546) 2.966 1.048 ( 0.926 -1.672 0.417) 1.956 1.069 ( 0.398 1.252 2.501) 2.825 1.143 ( 0.158 1.358 1.410) 1.964 1.221 ( 1.367 -0.388 -0.053) 1.422 1.235 ( 1.773 1.329 -1.027) 2.442 1.686 ( 2.690 -2.804 2.062) 4.399 1.747 ( 2.389 -6.108 -0.710) 6.597 1.816 ( 2.207 -1.037 -1.499) 2.862 1.852 ( 2.701 0.046 -0.557) 2.758 1.889 ( -0.901 1.746 0.760) 2.107 1.954 ( -1.414 2.008 0.166) 2.462 2.083 ( 2.085 -0.534 -0.821) 2.304 2.139 ( -0.575 -1.171 0.794) 1.528 2.206 ( -1.042 2.287 1.892) 3.146 2.283 ( -0.891 0.179 0.491) 1.033 2.305 ( -0.714 3.185 -1.686) 3.674 2.433 ( -2.237 -0.796 0.193) 2.383 2.519 ( -1.439 2.837 0.066) 3.181 2.546 ( -0.646 3.387 0.886) 3.560 2.599 ( 0.103 4.274 -1.176) 4.434 2.739 ( -2.446 -1.386 1.145) 3.036 2.793 ( 0.520 -1.606 0.247) 1.706 2.855 ( -0.902 -0.506 0.388) 1.105 2.907 ( -0.259 -0.376 1.947) 2.000 2.935 ( 0.923 -0.962 -0.331) 1.374 3.007 ( -0.791 0.856 -2.557) 2.810 3.035 ( -1.407 0.996 -1.504) 2.288 3.159 ( -0.358 -1.936 -0.821) 2.133 3.177 ( 0.996 0.419 -1.246) 1.650 3.201 ( 0.961 -0.694 0.934) 1.509 3.227 ( -2.737 -2.301 -0.958) 3.702 3.319 ( 0.574 0.142 2.027) 2.111 3.415 ( 0.633 0.245 4.309) 4.362 3.488 ( -1.608 0.930 -1.235) 2.230 3.606 ( 2.616 -0.585 -2.721) 3.819 4.222 ( 0.473 1.073 3.003) 3.223 4.260 ( -0.472 2.344 0.647) 2.477 4.334 ( -4.013 3.531 -0.741) 5.397 4.469 ( 0.987 -3.628 -3.958) 5.459 5.137 ( -0.025 -0.050 0.376) 0.380 5.153 ( 0.264 -0.499 -0.310) 0.644 6.050 ( -2.845 -1.978 -1.114) 3.640 6.081 ( -1.930 -2.550 -1.834) 3.686 6.137 ( -0.407 0.665 -3.703) 3.784 6.164 ( -1.461 -0.654 -3.976) 4.286 6.560 ( 2.573 3.622 7.663) 8.858 6.711 ( 5.258 -1.148 2.543) 5.952 ======================= Grid point 143 (77/84) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.514 ( -1.356 5.622 0.171) 5.786 0.582 ( -1.953 -0.506 -5.897) 6.232 0.626 ( -0.687 4.533 4.756) 6.606 0.722 ( 1.354 0.549 -4.366) 4.604 0.738 ( 0.795 -5.929 1.664) 6.209 0.780 ( 0.416 -5.387 -2.829) 6.099 0.988 ( 0.652 -0.840 0.021) 1.064 0.998 ( -0.322 -1.861 -1.025) 2.149 1.174 ( -0.822 3.169 4.475) 5.545 1.211 ( -0.286 -0.459 2.637) 2.692 1.248 ( 0.145 2.436 -0.410) 2.474 1.272 ( 0.957 0.204 -1.609) 1.884 1.648 ( -0.448 -2.530 0.478) 2.614 1.657 ( -0.538 -3.239 -0.239) 3.292 1.866 ( 1.494 1.049 0.227) 1.840 1.872 ( 0.136 0.346 -0.232) 0.438 1.952 ( 0.929 1.778 0.953) 2.221 1.963 ( -1.151 1.124 0.311) 1.639 2.092 ( -0.569 -0.586 0.261) 0.857 2.095 ( -0.427 -0.791 0.133) 0.909 2.275 ( 0.855 0.929 1.292) 1.806 2.287 ( -0.007 -0.433 1.770) 1.822 2.323 ( 0.864 2.016 -3.309) 3.969 2.356 ( 0.294 -1.307 -4.290) 4.494 2.550 ( -2.313 1.371 2.610) 3.747 2.566 ( -0.519 0.033 1.763) 1.838 2.662 ( 1.055 1.985 -0.814) 2.391 2.685 ( -0.512 -0.257 -2.052) 2.131 2.840 ( 1.386 1.080 3.249) 3.694 2.863 ( 1.954 -0.776 1.872) 2.815 2.897 ( -1.173 0.318 0.600) 1.356 2.923 ( -1.606 -1.761 -1.024) 2.594 2.976 ( -0.028 1.337 -1.711) 2.172 2.994 ( -0.166 -0.463 -2.691) 2.736 3.134 ( -0.243 -0.904 0.283) 0.978 3.141 ( 0.424 -1.590 -0.385) 1.690 3.200 ( 0.659 -0.011 -0.334) 0.739 3.203 ( 0.080 -0.303 -0.560) 0.642 3.399 ( 0.995 2.478 3.956) 4.773 3.441 ( -0.604 -1.386 2.751) 3.139 3.491 ( -0.457 2.456 -1.285) 2.809 3.546 ( -0.563 -2.833 -3.803) 4.776 4.294 ( 0.988 1.603 0.540) 1.958 4.303 ( 0.952 0.905 -0.402) 1.374 4.348 ( -0.714 1.369 1.378) 2.069 4.376 ( -0.524 -1.884 -1.396) 2.403 5.141 ( -0.007 0.072 0.201) 0.214 5.144 ( 0.032 -0.277 -0.135) 0.310 5.990 ( 0.199 -1.157 0.219) 1.194 5.997 ( -0.325 -1.820 -0.428) 1.898 6.088 ( -0.028 0.012 -2.896) 2.896 6.091 ( 0.210 -0.369 -3.264) 3.291 6.732 ( -0.123 2.475 4.191) 4.868 6.762 ( -0.145 -0.668 1.220) 1.398 ======================= Grid point 144 (78/84) ======================= q-point: ( 0.12 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.557 ( 3.424 4.464 0.928) 5.702 0.588 ( 3.919 1.571 4.413) 6.107 0.669 ( -0.087 1.158 2.514) 2.769 0.720 ( 3.684 0.612 -3.245) 4.947 0.748 ( 0.653 -3.917 -0.944) 4.082 0.798 ( 3.700 -4.523 -0.166) 5.846 0.973 ( -1.451 -0.767 -0.540) 1.728 0.994 ( -0.494 -2.697 0.187) 2.748 1.175 ( -2.524 1.792 1.206) 3.322 1.185 ( -3.027 0.990 -1.033) 3.348 1.238 ( -1.217 1.818 0.373) 2.219 1.255 ( -0.748 0.259 -1.551) 1.742 1.629 ( -2.387 -2.057 0.806) 3.252 1.645 ( -1.688 -3.615 0.627) 4.038 1.840 ( -2.721 1.502 -1.478) 3.442 1.856 ( -2.947 0.087 -0.666) 3.022 1.937 ( 0.856 1.975 -0.282) 2.170 1.966 ( 0.199 -0.568 0.850) 1.041 2.083 ( -0.589 2.184 0.033) 2.262 2.128 ( 0.764 -2.278 -0.911) 2.570 2.269 ( 0.378 2.098 0.648) 2.228 2.307 ( 2.060 -1.381 -1.144) 2.732 2.339 ( 1.632 0.835 0.020) 1.833 2.355 ( 2.418 -0.601 -0.165) 2.497 2.557 ( -0.851 2.446 2.967) 3.938 2.584 ( 0.332 -0.221 0.513) 0.649 2.672 ( 1.602 2.195 -1.044) 2.911 2.703 ( 3.000 -1.199 0.849) 3.340 2.820 ( -2.507 1.301 -2.189) 3.573 2.854 ( -1.926 -1.758 -2.858) 3.869 2.930 ( 2.374 1.235 1.526) 3.080 2.948 ( 2.365 -0.723 1.486) 2.885 2.969 ( 0.235 0.808 -0.148) 0.854 2.985 ( 1.148 -0.804 1.432) 2.004 3.129 ( 0.141 0.101 -0.051) 0.181 3.160 ( 1.467 -2.957 -0.154) 3.305 3.186 ( -0.809 0.687 -0.477) 1.163 3.199 ( -0.339 -0.731 -0.441) 0.919 3.407 ( -1.284 3.400 -2.956) 4.685 3.466 ( 1.568 0.149 2.038) 2.576 3.480 ( -1.888 -0.851 -2.439) 3.200 3.518 ( -0.343 -1.807 3.878) 4.292 4.306 ( 0.990 0.926 -2.693) 3.015 4.312 ( 1.241 0.525 -1.757) 2.215 4.361 ( 0.375 0.657 0.745) 1.062 4.367 ( 0.349 -0.033 2.666) 2.689 5.141 ( -0.154 -0.075 -0.035) 0.175 5.142 ( -0.124 -0.145 -0.024) 0.192 6.017 ( 3.017 -0.174 0.143) 3.025 6.030 ( 3.452 -1.266 0.140) 3.679 6.086 ( 1.557 -0.549 0.927) 1.893 6.092 ( 1.871 -1.038 0.083) 2.141 6.711 ( -5.114 1.101 -1.795) 5.531 6.717 ( -5.195 0.430 0.971) 5.302 ======================= Grid point 145 (79/84) ======================= q-point: ( 0.25 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( 3.290 4.768 -3.257) 6.646 0.685 ( 0.364 1.015 4.032) 4.173 0.724 ( 2.556 0.572 3.767) 4.588 0.728 ( 1.357 -5.590 -2.074) 6.114 0.763 ( 1.257 3.673 -0.181) 3.887 0.885 ( 3.728 -5.457 1.034) 6.689 0.937 ( -1.656 1.479 0.826) 2.369 0.983 ( -0.960 -2.387 0.435) 2.610 1.127 ( -1.017 1.143 -1.580) 2.200 1.141 ( -2.062 -0.194 -0.903) 2.260 1.220 ( -0.747 0.734 -0.743) 1.284 1.222 ( -0.786 0.548 1.272) 1.593 1.587 ( -3.172 -1.592 0.421) 3.574 1.604 ( -3.239 -3.131 -0.080) 4.505 1.782 ( -1.973 1.429 -0.679) 2.529 1.808 ( -1.646 -0.985 -0.284) 1.939 1.955 ( 1.741 1.724 -0.923) 2.618 1.987 ( 1.412 -1.182 -0.625) 1.945 2.062 ( -1.189 2.056 0.265) 2.389 2.101 ( -1.174 -1.914 -0.677) 2.346 2.288 ( 1.131 2.301 -3.174) 4.080 2.320 ( 2.035 -0.908 -3.059) 3.784 2.370 ( 1.427 3.214 3.347) 4.855 2.426 ( 1.996 -2.516 3.365) 4.652 2.578 ( -0.261 1.559 1.349) 2.078 2.582 ( -0.211 0.824 -0.726) 1.119 2.702 ( 1.523 2.961 0.958) 3.465 2.723 ( -1.823 0.112 -1.694) 2.491 2.782 ( 0.947 -0.902 1.183) 1.764 2.805 ( -0.182 -2.197 -1.610) 2.730 2.948 ( 0.867 1.501 -2.188) 2.791 2.966 ( 1.953 -0.109 -0.767) 2.101 3.022 ( 1.646 1.667 2.103) 3.148 3.058 ( 2.936 -1.150 2.741) 4.178 3.147 ( 1.624 -0.432 0.346) 1.715 3.172 ( 0.014 -0.347 0.905) 0.969 3.175 ( 0.015 -0.477 -0.463) 0.665 3.199 ( 0.935 -2.557 0.555) 2.779 3.348 ( -1.775 2.891 -2.276) 4.085 3.403 ( -1.887 -2.485 -3.190) 4.463 3.513 ( -0.134 1.560 1.634) 2.264 3.540 ( -1.368 -0.913 1.821) 2.453 4.259 ( -0.525 0.944 -4.583) 4.709 4.281 ( -0.686 -1.029 -3.691) 3.893 4.433 ( 3.368 1.688 4.839) 6.132 4.443 ( 3.177 0.574 4.927) 5.891 5.137 ( -0.127 -0.020 -0.137) 0.188 5.139 ( -0.237 -0.238 0.061) 0.341 6.082 ( 3.147 1.295 0.912) 3.523 6.101 ( 4.546 -0.082 0.688) 4.599 6.138 ( 1.808 -0.376 2.099) 2.796 6.158 ( 3.495 -2.062 2.144) 4.590 6.567 ( -7.137 1.367 -4.012) 8.301 6.593 ( -7.711 -1.398 -2.474) 8.218 ======================= Grid point 146 (80/84) ======================= q-point: ( 0.38 0.43 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 2.893 5.013 -4.147) 7.120 0.708 ( -1.405 -0.584 1.674) 2.262 0.722 ( 0.361 -5.274 -1.825) 5.592 0.736 ( -1.796 -2.746 -0.763) 3.368 0.821 ( 2.972 3.595 1.022) 4.775 0.871 ( -1.752 -1.490 -0.047) 2.300 0.949 ( -2.047 1.407 0.444) 2.524 0.987 ( 0.045 -2.763 0.773) 2.870 1.090 ( -1.491 1.673 0.186) 2.248 1.121 ( 0.049 -1.422 0.523) 1.516 1.236 ( 1.690 2.223 1.514) 3.176 1.260 ( 2.019 -0.228 1.898) 2.780 1.546 ( -1.765 -1.653 0.134) 2.422 1.555 ( -1.894 -2.265 -0.266) 2.965 1.752 ( -0.958 0.740 -0.592) 1.348 1.780 ( -0.937 -1.890 -1.129) 2.393 1.981 ( 2.141 1.651 -0.239) 2.714 2.001 ( 1.632 -0.123 -0.706) 1.782 2.062 ( 0.379 0.962 0.830) 1.326 2.089 ( -0.200 -1.464 0.194) 1.490 2.253 ( -0.694 2.911 -2.028) 3.615 2.303 ( 0.036 -2.033 -2.263) 3.043 2.423 ( -0.328 2.237 0.848) 2.415 2.451 ( -0.152 -0.559 -1.668) 1.765 2.558 ( -1.086 1.442 -0.875) 2.006 2.578 ( -0.171 -0.085 0.752) 0.775 2.717 ( 0.440 2.112 2.771) 3.512 2.747 ( 1.697 1.607 2.525) 3.441 2.789 ( 0.403 -0.722 -0.566) 1.002 2.823 ( 0.940 -2.085 1.172) 2.570 2.935 ( 0.570 2.747 -2.263) 3.605 2.986 ( 1.415 -1.916 -1.427) 2.777 3.050 ( 0.104 1.630 0.132) 1.638 3.084 ( -1.118 -0.999 -0.397) 1.551 3.168 ( -0.266 0.556 0.095) 0.624 3.187 ( 1.432 -0.134 0.215) 1.455 3.228 ( 2.733 -1.199 2.180) 3.695 3.246 ( 3.842 -1.926 2.900) 5.184 3.310 ( -0.802 1.590 0.175) 1.789 3.348 ( -1.227 -2.194 -1.411) 2.882 3.494 ( -2.120 1.265 -1.489) 2.883 3.511 ( -2.670 -0.356 -0.868) 2.830 4.201 ( -0.228 0.342 -3.631) 3.654 4.220 ( -1.215 -1.515 -3.284) 3.815 4.562 ( 3.396 2.440 6.108) 7.402 4.571 ( 3.490 1.535 5.856) 6.987 5.135 ( 0.003 -0.042 -0.025) 0.049 5.136 ( -0.159 -0.190 0.066) 0.257 6.140 ( 1.885 1.006 1.276) 2.488 6.163 ( 1.869 -0.973 -0.298) 2.128 6.203 ( 1.929 1.530 3.093) 3.954 6.224 ( 1.529 -0.455 0.990) 1.878 6.407 ( -4.875 0.065 -4.192) 6.430 6.435 ( -5.163 -2.788 -4.011) 7.107 ======================= Grid point 147 (81/84) ======================= q-point: (-0.50 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( 0.052 2.720 -0.694) 2.808 0.656 ( -0.184 1.739 -2.460) 3.019 0.687 ( -3.626 -3.300 1.938) 5.272 0.733 ( 3.415 -5.667 -2.762) 7.170 0.848 ( -0.906 0.758 1.068) 1.592 0.863 ( 0.430 -0.662 -0.360) 0.867 0.937 ( -0.313 1.226 1.504) 1.966 0.966 ( 0.192 -1.454 -1.343) 1.989 1.108 ( 0.824 0.711 1.702) 2.020 1.125 ( -0.339 -0.872 0.111) 0.942 1.277 ( 0.099 2.336 1.583) 2.824 1.291 ( -0.202 0.842 0.149) 0.878 1.533 ( -0.525 -1.526 0.511) 1.693 1.538 ( 0.061 -1.889 -0.019) 1.890 1.739 ( -0.022 -0.307 0.195) 0.364 1.753 ( -0.394 -1.613 -1.121) 2.003 2.006 ( 0.213 1.981 0.469) 2.047 2.017 ( 0.196 1.260 -0.580) 1.401 2.079 ( 0.309 0.244 -0.014) 0.394 2.094 ( 1.990 -1.110 -1.619) 2.796 2.245 ( 0.478 1.108 1.775) 2.146 2.273 ( -1.267 -1.512 -0.849) 2.147 2.389 ( -1.003 0.680 -1.171) 1.686 2.407 ( -0.993 -0.997 -2.710) 3.054 2.562 ( -0.106 2.822 1.729) 3.312 2.584 ( 0.381 0.934 -0.291) 1.050 2.755 ( -0.102 1.654 2.228) 2.777 2.786 ( 0.550 -0.598 -0.926) 1.232 2.817 ( 1.758 1.895 2.522) 3.612 2.846 ( -0.120 -0.027 -0.051) 0.133 2.918 ( 0.012 0.224 0.268) 0.350 2.957 ( -1.695 -2.920 -2.829) 4.405 3.049 ( -0.145 1.432 0.456) 1.509 3.063 ( -0.146 0.308 -0.596) 0.687 3.168 ( -0.063 -0.084 0.486) 0.497 3.184 ( 0.064 -1.396 -0.981) 1.707 3.299 ( 0.032 0.597 0.982) 1.149 3.307 ( -0.847 -0.439 0.538) 1.095 3.344 ( 2.951 0.707 3.742) 4.818 3.371 ( 4.010 -1.663 2.675) 5.099 3.419 ( -2.414 0.639 -3.545) 4.336 3.433 ( -3.264 -0.774 -3.094) 4.563 4.173 ( -0.207 -0.752 -1.624) 1.802 4.175 ( 0.543 -0.998 -1.853) 2.174 4.657 ( -0.005 3.021 3.727) 4.798 4.663 ( 0.339 2.422 3.164) 3.999 5.135 ( -0.046 -0.045 0.061) 0.089 5.136 ( 0.092 -0.113 -0.004) 0.146 6.164 ( 0.037 0.196 0.406) 0.452 6.173 ( 0.514 -0.023 -0.382) 0.641 6.234 ( -0.153 0.421 0.769) 0.890 6.245 ( 0.442 -1.368 0.261) 1.461 6.332 ( -0.543 0.290 -1.024) 1.195 6.353 ( -0.555 -1.973 -2.456) 3.199 ======================= Grid point 148 (82/84) ======================= q-point: (-0.38 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -4.018 4.203 0.808) 5.871 0.656 ( -2.974 -5.416 2.823) 6.793 0.717 ( 3.774 1.143 0.526) 3.978 0.766 ( 3.309 -4.033 -1.950) 5.570 0.836 ( -1.199 2.193 -0.371) 2.526 0.870 ( 1.010 -1.342 0.216) 1.693 0.955 ( 1.552 1.367 0.444) 2.116 0.993 ( 2.563 -2.287 -0.419) 3.460 1.107 ( -0.703 1.061 -1.211) 1.757 1.125 ( -0.544 -0.842 0.190) 1.020 1.254 ( -2.999 2.860 -0.292) 4.155 1.277 ( -1.774 0.462 0.144) 1.839 1.539 ( 0.746 -1.119 0.628) 1.484 1.553 ( 1.727 -2.527 0.111) 3.062 1.747 ( 0.870 -0.523 -0.212) 1.037 1.756 ( 1.093 -1.326 1.045) 2.011 1.986 ( -2.163 1.660 -0.742) 2.825 1.994 ( -1.717 0.789 0.103) 1.893 2.078 ( 0.530 1.113 -1.069) 1.632 2.106 ( 1.483 -1.492 -1.785) 2.759 2.246 ( -0.484 1.803 -0.685) 1.988 2.284 ( 0.697 -1.989 0.672) 2.211 2.393 ( 0.675 0.310 1.632) 1.793 2.400 ( 0.588 -0.426 2.906) 2.996 2.565 ( -0.682 3.167 -0.036) 3.240 2.589 ( 0.755 0.880 -0.515) 1.269 2.761 ( -0.694 1.714 -0.288) 1.872 2.777 ( -0.590 0.674 -0.637) 1.099 2.799 ( -1.789 0.732 -2.626) 3.261 2.846 ( -0.599 -1.502 -0.837) 1.820 2.903 ( -1.569 0.436 0.586) 1.731 2.943 ( -0.994 -2.301 2.698) 3.683 3.050 ( 0.412 2.135 0.153) 2.180 3.079 ( 1.682 -0.292 0.339) 1.741 3.174 ( -0.127 -0.586 0.086) 0.606 3.180 ( 0.503 -1.156 0.003) 1.261 3.265 ( -3.419 1.057 -1.204) 3.776 3.285 ( -3.329 -0.879 0.173) 3.447 3.334 ( -2.094 0.008 -2.640) 3.370 3.345 ( -0.719 -1.234 -1.890) 2.369 3.450 ( 3.700 1.944 2.973) 5.129 3.485 ( 4.333 -1.710 1.683) 4.953 4.164 ( 0.591 0.462 0.184) 0.772 4.189 ( 1.954 -2.070 -0.022) 2.847 4.634 ( -4.280 2.889 -0.872) 5.237 4.644 ( -4.078 2.129 -1.184) 4.750 5.135 ( -0.037 0.055 -0.010) 0.067 5.138 ( 0.154 -0.243 -0.065) 0.295 6.152 ( -1.949 -0.481 -0.011) 2.007 6.171 ( -1.990 -2.962 -0.625) 3.623 6.249 ( 3.138 2.526 -1.097) 4.175 6.276 ( 3.060 -0.776 -3.710) 4.871 6.334 ( 0.607 0.245 2.253) 2.346 6.343 ( 0.935 -0.865 4.090) 4.284 ======================= Grid point 149 (83/84) ======================= q-point: (-0.25 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.541 ( -2.042 5.973 3.673) 7.303 0.656 ( -1.562 -5.712 3.624) 6.943 0.760 ( -0.298 1.825 -0.449) 1.903 0.782 ( 0.656 0.341 -2.323) 2.438 0.799 ( 0.454 1.295 -3.779) 4.020 0.894 ( -0.169 -4.536 0.022) 4.539 0.972 ( -0.327 1.605 -2.149) 2.702 1.000 ( 1.270 -1.245 -1.212) 2.152 1.096 ( -1.532 0.673 1.275) 2.104 1.113 ( 0.566 -0.890 1.554) 1.879 1.212 ( -0.964 2.484 0.251) 2.677 1.244 ( -0.665 -0.413 -0.791) 1.113 1.577 ( 2.357 -1.010 1.144) 2.808 1.599 ( 3.151 -3.281 0.372) 4.565 1.777 ( 2.497 0.459 0.014) 2.539 1.797 ( 2.156 -1.409 0.825) 2.705 1.947 ( -1.675 1.801 -0.118) 2.462 1.970 ( -1.257 -0.582 0.597) 1.509 2.077 ( 1.119 1.436 -1.053) 2.103 2.107 ( 1.031 -1.519 -1.101) 2.140 2.243 ( -0.456 2.377 1.112) 2.664 2.284 ( -0.775 -1.714 0.325) 1.909 2.419 ( -1.332 1.861 -0.421) 2.326 2.434 ( -0.251 0.250 2.205) 2.233 2.562 ( -0.020 2.053 0.984) 2.277 2.591 ( 0.280 -0.406 -0.489) 0.695 2.721 ( -2.512 2.467 -1.778) 3.945 2.732 ( -0.385 2.638 -1.927) 3.290 2.775 ( -1.351 -1.541 1.535) 2.561 2.816 ( -0.442 -3.541 -1.829) 4.010 2.905 ( -0.513 1.625 1.989) 2.619 2.936 ( -2.456 -1.052 2.085) 3.389 3.056 ( 0.214 2.063 -1.200) 2.396 3.099 ( -0.106 -1.067 -1.322) 1.702 3.162 ( -1.474 0.439 -0.640) 1.666 3.177 ( -0.186 -0.808 -0.987) 1.289 3.200 ( -1.524 -0.324 -1.360) 2.068 3.215 ( -1.484 -2.073 -1.130) 2.789 3.312 ( -0.153 1.545 1.141) 1.927 3.345 ( -0.037 -1.828 2.393) 3.012 3.523 ( 2.103 1.985 0.631) 2.960 3.557 ( 2.946 -1.400 -0.063) 3.262 4.196 ( 1.596 1.546 1.853) 2.893 4.233 ( 2.222 -2.129 1.173) 3.293 4.517 ( -6.039 1.887 -3.474) 7.218 4.524 ( -5.420 1.035 -3.046) 6.303 5.135 ( 0.054 0.148 0.052) 0.166 5.140 ( 0.241 -0.401 -0.057) 0.472 6.094 ( -4.346 -0.908 -0.158) 4.443 6.107 ( -4.314 -2.176 -0.309) 4.842 6.225 ( 0.127 1.034 -6.433) 6.517 6.234 ( 0.184 0.160 -5.896) 5.901 6.457 ( 5.506 2.429 7.144) 9.341 6.500 ( 6.943 -2.043 6.929) 10.019 ======================= Grid point 150 (84/84) ======================= q-point: (-0.12 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 3.34e-04 3.34e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -1.204 6.089 2.588) 6.724 0.646 ( -6.273 5.336 -1.571) 8.384 0.688 ( -0.269 -2.957 0.377) 2.993 0.733 ( -1.478 -0.398 -5.226) 5.445 0.769 ( -1.183 -1.470 -3.036) 3.575 0.820 ( -2.437 -5.813 -2.099) 6.643 0.975 ( 1.480 0.128 -0.840) 1.706 1.006 ( 0.812 -2.469 -0.869) 2.740 1.120 ( 0.468 2.846 3.761) 4.740 1.159 ( 1.399 -0.839 2.914) 3.340 1.230 ( 1.142 1.850 1.215) 2.491 1.253 ( 2.000 -0.117 -0.250) 2.019 1.631 ( 1.852 -1.546 0.890) 2.571 1.650 ( 1.727 -3.496 0.267) 3.908 1.825 ( 3.084 1.065 -0.222) 3.270 1.844 ( 2.725 -0.836 0.312) 2.867 1.929 ( -0.385 2.241 0.332) 2.298 1.963 ( -0.694 -0.996 0.849) 1.481 2.091 ( 1.130 1.185 -0.599) 1.743 2.116 ( 0.010 -1.303 0.295) 1.336 2.247 ( -0.710 1.914 1.605) 2.597 2.275 ( -0.765 -0.993 0.833) 1.505 2.367 ( -1.159 3.183 -2.943) 4.487 2.414 ( -1.563 -1.606 -2.453) 3.323 2.559 ( -1.801 1.670 1.584) 2.923 2.580 ( -1.766 -0.007 0.320) 1.794 2.678 ( -0.998 3.561 -1.320) 3.926 2.720 ( -1.506 -0.857 0.637) 1.846 2.776 ( 1.030 0.279 1.443) 1.794 2.813 ( 1.351 -2.959 0.678) 3.323 2.918 ( -1.989 0.959 1.888) 2.905 2.928 ( -0.244 -0.159 1.459) 1.488 3.024 ( -0.601 0.981 -3.457) 3.644 3.041 ( -1.485 -0.489 -3.383) 3.727 3.133 ( -0.436 -0.241 -0.636) 0.808 3.158 ( -1.343 -2.563 -0.025) 2.894 3.191 ( 0.914 0.448 -0.897) 1.357 3.200 ( 0.542 -0.506 -0.420) 0.852 3.345 ( 0.411 2.225 3.343) 4.037 3.390 ( 0.118 -2.265 4.643) 5.167 3.530 ( -0.003 2.778 -2.307) 3.611 3.578 ( 1.190 -2.186 -2.300) 3.389 4.252 ( 1.827 1.905 2.234) 3.458 4.281 ( 1.417 -0.537 1.176) 1.918 4.390 ( -4.284 2.148 -1.736) 5.097 4.420 ( -2.649 -1.581 -2.400) 3.909 5.138 ( 0.089 0.173 0.167) 0.257 5.144 ( 0.192 -0.416 -0.069) 0.463 6.021 ( -3.629 -0.621 -0.058) 3.683 6.034 ( -3.401 -1.923 -0.283) 3.917 6.146 ( -0.571 0.393 -5.636) 5.679 6.154 ( -0.675 -0.423 -5.969) 6.022 6.629 ( 4.381 3.374 6.467) 8.509 6.682 ( 5.281 -2.115 4.665) 7.357 =================== 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 3/15120 10.0 7.108 5.731 10.072 0.000 1.652 0.000 3/15120 20.0 2.350 1.941 3.386 0.000 0.487 0.000 3/15120 30.0 1.304 1.096 1.852 0.000 0.260 0.000 3/15120 40.0 0.900 0.766 1.266 0.000 0.175 0.000 3/15120 50.0 0.694 0.597 0.973 0.000 0.132 0.000 3/15120 60.0 0.571 0.495 0.802 0.000 0.106 0.000 3/15120 70.0 0.489 0.426 0.689 0.000 0.089 0.000 3/15120 80.0 0.429 0.375 0.608 0.000 0.076 0.000 3/15120 90.0 0.384 0.337 0.546 0.000 0.067 0.000 3/15120 100.0 0.348 0.306 0.497 0.000 0.060 0.000 3/15120 110.0 0.319 0.281 0.457 0.000 0.054 0.000 3/15120 120.0 0.294 0.259 0.424 0.000 0.049 0.000 3/15120 130.0 0.273 0.241 0.395 0.000 0.045 0.000 3/15120 140.0 0.255 0.225 0.370 0.000 0.042 0.000 3/15120 150.0 0.239 0.212 0.348 0.000 0.039 0.000 3/15120 160.0 0.225 0.199 0.328 0.000 0.036 0.000 3/15120 170.0 0.213 0.188 0.311 0.000 0.034 0.000 3/15120 180.0 0.202 0.179 0.295 0.000 0.032 0.000 3/15120 190.0 0.192 0.170 0.281 0.000 0.031 0.000 3/15120 200.0 0.183 0.162 0.268 0.000 0.029 0.000 3/15120 210.0 0.174 0.155 0.256 0.000 0.028 0.000 3/15120 220.0 0.167 0.148 0.245 0.000 0.026 0.000 3/15120 230.0 0.160 0.142 0.235 0.000 0.025 0.000 3/15120 240.0 0.154 0.136 0.226 0.000 0.024 0.000 3/15120 250.0 0.148 0.131 0.218 0.000 0.023 0.000 3/15120 260.0 0.142 0.126 0.210 0.000 0.022 0.000 3/15120 270.0 0.137 0.122 0.203 0.000 0.021 0.000 3/15120 280.0 0.132 0.118 0.196 0.000 0.021 0.000 3/15120 290.0 0.128 0.114 0.189 0.000 0.020 0.000 3/15120 300.0 0.124 0.110 0.183 0.000 0.019 0.000 3/15120 310.0 0.120 0.107 0.178 0.000 0.019 0.000 3/15120 320.0 0.116 0.103 0.172 0.000 0.018 0.000 3/15120 330.0 0.113 0.100 0.167 0.000 0.017 0.000 3/15120 340.0 0.110 0.098 0.163 0.000 0.017 0.000 3/15120 350.0 0.107 0.095 0.158 0.000 0.016 0.000 3/15120 360.0 0.104 0.092 0.154 0.000 0.016 0.000 3/15120 370.0 0.101 0.090 0.150 0.000 0.016 0.000 3/15120 380.0 0.099 0.088 0.146 0.000 0.015 0.000 3/15120 390.0 0.096 0.085 0.143 0.000 0.015 0.000 3/15120 400.0 0.094 0.083 0.139 0.000 0.014 0.000 3/15120 410.0 0.092 0.081 0.136 0.000 0.014 0.000 3/15120 420.0 0.089 0.079 0.133 0.000 0.014 0.000 3/15120 430.0 0.087 0.078 0.130 0.000 0.013 0.000 3/15120 440.0 0.085 0.076 0.127 0.000 0.013 0.000 3/15120 450.0 0.084 0.074 0.124 0.000 0.013 0.000 3/15120 460.0 0.082 0.073 0.122 0.000 0.012 0.000 3/15120 470.0 0.080 0.071 0.119 0.000 0.012 0.000 3/15120 480.0 0.078 0.070 0.117 0.000 0.012 0.000 3/15120 490.0 0.077 0.068 0.114 0.000 0.012 0.000 3/15120 500.0 0.075 0.067 0.112 0.000 0.011 0.000 3/15120 510.0 0.074 0.066 0.110 0.000 0.011 0.000 3/15120 520.0 0.072 0.064 0.108 0.000 0.011 0.000 3/15120 530.0 0.071 0.063 0.106 0.000 0.011 0.000 3/15120 540.0 0.070 0.062 0.104 0.000 0.011 0.000 3/15120 550.0 0.069 0.061 0.102 0.000 0.010 0.000 3/15120 560.0 0.067 0.060 0.100 0.000 0.010 0.000 3/15120 570.0 0.066 0.059 0.099 0.000 0.010 0.000 3/15120 580.0 0.065 0.058 0.097 0.000 0.010 0.000 3/15120 590.0 0.064 0.057 0.095 0.000 0.010 0.000 3/15120 600.0 0.063 0.056 0.094 0.000 0.010 0.000 3/15120 610.0 0.062 0.055 0.092 0.000 0.009 0.000 3/15120 620.0 0.061 0.054 0.091 0.000 0.009 0.000 3/15120 630.0 0.060 0.053 0.089 0.000 0.009 0.000 3/15120 640.0 0.059 0.053 0.088 0.000 0.009 0.000 3/15120 650.0 0.058 0.052 0.087 0.000 0.009 0.000 3/15120 660.0 0.057 0.051 0.085 0.000 0.009 0.000 3/15120 670.0 0.056 0.050 0.084 0.000 0.009 0.000 3/15120 680.0 0.056 0.049 0.083 0.000 0.008 0.000 3/15120 690.0 0.055 0.049 0.082 0.000 0.008 0.000 3/15120 700.0 0.054 0.048 0.081 0.000 0.008 0.000 3/15120 710.0 0.053 0.047 0.079 0.000 0.008 0.000 3/15120 720.0 0.053 0.047 0.078 0.000 0.008 0.000 3/15120 730.0 0.052 0.046 0.077 0.000 0.008 0.000 3/15120 740.0 0.051 0.046 0.076 0.000 0.008 0.000 3/15120 750.0 0.051 0.045 0.075 0.000 0.008 0.000 3/15120 760.0 0.050 0.044 0.074 0.000 0.008 0.000 3/15120 770.0 0.049 0.044 0.073 0.000 0.007 0.000 3/15120 780.0 0.049 0.043 0.072 0.000 0.007 0.000 3/15120 790.0 0.048 0.043 0.072 0.000 0.007 0.000 3/15120 800.0 0.047 0.042 0.071 0.000 0.007 0.000 3/15120 810.0 0.047 0.042 0.070 0.000 0.007 0.000 3/15120 820.0 0.046 0.041 0.069 0.000 0.007 0.000 3/15120 830.0 0.046 0.041 0.068 0.000 0.007 0.000 3/15120 840.0 0.045 0.040 0.067 0.000 0.007 0.000 3/15120 850.0 0.045 0.040 0.067 0.000 0.007 0.000 3/15120 860.0 0.044 0.039 0.066 0.000 0.007 0.000 3/15120 870.0 0.044 0.039 0.065 0.000 0.007 0.000 3/15120 880.0 0.043 0.038 0.064 0.000 0.007 0.000 3/15120 890.0 0.043 0.038 0.064 0.000 0.006 0.000 3/15120 900.0 0.042 0.038 0.063 0.000 0.006 0.000 3/15120 910.0 0.042 0.037 0.062 0.000 0.006 0.000 3/15120 920.0 0.041 0.037 0.062 0.000 0.006 0.000 3/15120 930.0 0.041 0.036 0.061 0.000 0.006 0.000 3/15120 940.0 0.040 0.036 0.060 0.000 0.006 0.000 3/15120 950.0 0.040 0.036 0.060 0.000 0.006 0.000 3/15120 960.0 0.040 0.035 0.059 0.000 0.006 0.000 3/15120 970.0 0.039 0.035 0.058 0.000 0.006 0.000 3/15120 980.0 0.039 0.034 0.058 0.000 0.006 0.000 3/15120 990.0 0.038 0.034 0.057 0.000 0.006 0.000 3/15120 1000.0 0.038 0.034 0.057 0.000 0.006 0.000 3/15120 Thermal conductivity related properties were written into "kappa-m875.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:50:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|