----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:36:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.276847090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.880176709999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.132813339999998 Atomic positions (fractional): *1 S 0.11582866566958 0.67517924026284 0.07318181908740 32.065 2 S 0.61582866566958 0.82482075973716 0.92681818091260 32.065 3 S 0.38417133433042 0.32482075973716 0.57318181908740 32.065 4 S 0.88417133433042 0.17517924026284 0.42681818091260 32.065 *5 S 0.36033242910952 0.04011499083210 0.26223627036756 32.065 6 S 0.86033242910952 0.45988500916790 0.73776372963244 32.065 7 S 0.63966757089048 0.54011499083210 0.23776372963244 32.065 8 S 0.13966757089048 0.95988500916790 0.76223627036756 32.065 *9 S 0.88170471421506 0.16159696158273 0.05794060115713 32.065 10 S 0.38170471421506 0.33840303841727 0.94205939884287 32.065 11 S 0.11829528578494 0.66159696158273 0.44205939884287 32.065 12 S 0.61829528578494 0.83840303841727 0.55794060115713 32.065 *13 Cu 0.50416659138039 0.07950305796303 0.46716097255123 63.546 14 Cu 0.00416659138039 0.42049694203697 0.53283902744877 63.546 15 Cu 0.99583340861961 0.92049694203697 0.96716097255123 63.546 16 Cu 0.49583340861961 0.57950305796303 0.03283902744877 63.546 *17 Cu 0.62749268537696 0.37786033119366 0.41808673383546 63.546 18 Cu 0.12749268537696 0.12213966880634 0.58191326616454 63.546 19 Cu 0.37250731462304 0.87786033119366 0.08191326616454 63.546 20 Cu 0.87250731462304 0.62213966880634 0.91808673383546 63.546 *21 Cu 0.52698155582722 0.17744876680531 0.10011611610131 63.546 22 Cu 0.02698155582722 0.32255123319468 0.89988388389869 63.546 23 Cu 0.47301844417278 0.67744876680531 0.39988388389869 63.546 24 Cu 0.97301844417278 0.82255123319469 0.60011611610131 63.546 *25 Sb 0.39081393458558 0.71670120880396 0.73726303817905 121.760 26 Sb 0.89081393458558 0.78329879119604 0.26273696182095 121.760 27 Sb 0.60918606541442 0.21670120880396 0.76273696182095 121.760 28 Sb 0.10918606541442 0.28329879119604 0.23726303817905 121.760 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.276847090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.880176709999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.132813339999998 Atomic positions (fractional): *1 S 0.11582866566958 0.67517924026284 0.07318181908740 32.065 > 1 2 S 0.61582866566958 0.82482075973716 0.92681818091260 32.065 > 2 3 S 0.38417133433042 0.32482075973716 0.57318181908740 32.065 > 3 4 S 0.88417133433042 0.17517924026284 0.42681818091260 32.065 > 4 *5 S 0.36033242910952 0.04011499083210 0.26223627036756 32.065 > 5 6 S 0.86033242910952 0.45988500916790 0.73776372963244 32.065 > 6 7 S 0.63966757089048 0.54011499083210 0.23776372963244 32.065 > 7 8 S 0.13966757089048 0.95988500916790 0.76223627036756 32.065 > 8 *9 S 0.88170471421506 0.16159696158273 0.05794060115713 32.065 > 9 10 S 0.38170471421506 0.33840303841727 0.94205939884287 32.065 > 10 11 S 0.11829528578494 0.66159696158273 0.44205939884287 32.065 > 11 12 S 0.61829528578494 0.83840303841727 0.55794060115713 32.065 > 12 *13 Cu 0.50416659138039 0.07950305796303 0.46716097255123 63.546 > 13 14 Cu 0.00416659138039 0.42049694203697 0.53283902744877 63.546 > 14 15 Cu 0.99583340861961 0.92049694203697 0.96716097255123 63.546 > 15 16 Cu 0.49583340861961 0.57950305796303 0.03283902744877 63.546 > 16 *17 Cu 0.62749268537696 0.37786033119366 0.41808673383546 63.546 > 17 18 Cu 0.12749268537696 0.12213966880634 0.58191326616454 63.546 > 18 19 Cu 0.37250731462304 0.87786033119366 0.08191326616454 63.546 > 19 20 Cu 0.87250731462304 0.62213966880634 0.91808673383546 63.546 > 20 *21 Cu 0.52698155582722 0.17744876680531 0.10011611610131 63.546 > 21 22 Cu 0.02698155582722 0.32255123319468 0.89988388389869 63.546 > 22 23 Cu 0.47301844417278 0.67744876680531 0.39988388389869 63.546 > 23 24 Cu 0.97301844417278 0.82255123319469 0.60011611610131 63.546 > 24 *25 Sb 0.39081393458558 0.71670120880396 0.73726303817905 121.760 > 25 26 Sb 0.89081393458558 0.78329879119604 0.26273696182095 121.760 > 26 27 Sb 0.60918606541442 0.21670120880396 0.76273696182095 121.760 > 27 28 Sb 0.10918606541442 0.28329879119604 0.23726303817905 121.760 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.553694180000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.760353419999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.132813339999998 Atomic positions (fractional): *1 S 0.05791433283479 0.33758962013142 0.07318181908740 32.065 > 1 2 S 0.55791433283479 0.33758962013142 0.07318181908740 32.065 > 1 3 S 0.05791433283479 0.83758962013142 0.07318181908740 32.065 > 1 4 S 0.55791433283479 0.83758962013142 0.07318181908740 32.065 > 1 5 S 0.30791433283479 0.41241037986858 0.92681818091260 32.065 > 2 6 S 0.80791433283479 0.41241037986858 0.92681818091260 32.065 > 2 7 S 0.30791433283479 0.91241037986858 0.92681818091260 32.065 > 2 8 S 0.80791433283479 0.91241037986858 0.92681818091260 32.065 > 2 9 S 0.19208566716521 0.16241037986858 0.57318181908740 32.065 > 3 10 S 0.69208566716521 0.16241037986858 0.57318181908740 32.065 > 3 11 S 0.19208566716521 0.66241037986858 0.57318181908740 32.065 > 3 12 S 0.69208566716521 0.66241037986858 0.57318181908740 32.065 > 3 13 S 0.44208566716521 0.08758962013142 0.42681818091260 32.065 > 4 14 S 0.94208566716521 0.08758962013142 0.42681818091260 32.065 > 4 15 S 0.44208566716521 0.58758962013142 0.42681818091260 32.065 > 4 16 S 0.94208566716521 0.58758962013142 0.42681818091260 32.065 > 4 *17 S 0.18016621455476 0.02005749541605 0.26223627036756 32.065 > 5 18 S 0.68016621455476 0.02005749541605 0.26223627036756 32.065 > 5 19 S 0.18016621455476 0.52005749541605 0.26223627036756 32.065 > 5 20 S 0.68016621455476 0.52005749541605 0.26223627036756 32.065 > 5 21 S 0.43016621455476 0.22994250458395 0.73776372963244 32.065 > 6 22 S 0.93016621455476 0.22994250458395 0.73776372963244 32.065 > 6 23 S 0.43016621455476 0.72994250458395 0.73776372963244 32.065 > 6 24 S 0.93016621455476 0.72994250458395 0.73776372963244 32.065 > 6 25 S 0.31983378544524 0.27005749541605 0.23776372963244 32.065 > 7 26 S 0.81983378544524 0.27005749541605 0.23776372963244 32.065 > 7 27 S 0.31983378544524 0.77005749541605 0.23776372963244 32.065 > 7 28 S 0.81983378544524 0.77005749541605 0.23776372963244 32.065 > 7 29 S 0.06983378544524 0.47994250458395 0.76223627036756 32.065 > 8 30 S 0.56983378544524 0.47994250458395 0.76223627036756 32.065 > 8 31 S 0.06983378544524 0.97994250458395 0.76223627036756 32.065 > 8 32 S 0.56983378544524 0.97994250458395 0.76223627036756 32.065 > 8 *33 S 0.44085235710753 0.08079848079137 0.05794060115713 32.065 > 9 34 S 0.94085235710753 0.08079848079137 0.05794060115713 32.065 > 9 35 S 0.44085235710753 0.58079848079137 0.05794060115713 32.065 > 9 36 S 0.94085235710753 0.58079848079137 0.05794060115713 32.065 > 9 37 S 0.19085235710753 0.16920151920863 0.94205939884287 32.065 > 10 38 S 0.69085235710753 0.16920151920863 0.94205939884287 32.065 > 10 39 S 0.19085235710753 0.66920151920863 0.94205939884287 32.065 > 10 40 S 0.69085235710753 0.66920151920863 0.94205939884287 32.065 > 10 41 S 0.05914764289247 0.33079848079137 0.44205939884287 32.065 > 11 42 S 0.55914764289247 0.33079848079137 0.44205939884287 32.065 > 11 43 S 0.05914764289247 0.83079848079137 0.44205939884287 32.065 > 11 44 S 0.55914764289247 0.83079848079137 0.44205939884287 32.065 > 11 45 S 0.30914764289247 0.41920151920863 0.55794060115713 32.065 > 12 46 S 0.80914764289247 0.41920151920863 0.55794060115713 32.065 > 12 47 S 0.30914764289247 0.91920151920863 0.55794060115713 32.065 > 12 48 S 0.80914764289247 0.91920151920863 0.55794060115713 32.065 > 12 *49 Cu 0.25208329569019 0.03975152898152 0.46716097255123 63.546 > 13 50 Cu 0.75208329569019 0.03975152898152 0.46716097255123 63.546 > 13 51 Cu 0.25208329569019 0.53975152898152 0.46716097255123 63.546 > 13 52 Cu 0.75208329569019 0.53975152898152 0.46716097255123 63.546 > 13 53 Cu 0.00208329569019 0.21024847101848 0.53283902744877 63.546 > 14 54 Cu 0.50208329569019 0.21024847101848 0.53283902744877 63.546 > 14 55 Cu 0.00208329569019 0.71024847101848 0.53283902744877 63.546 > 14 56 Cu 0.50208329569019 0.71024847101848 0.53283902744877 63.546 > 14 57 Cu 0.49791670430981 0.46024847101848 0.96716097255123 63.546 > 15 58 Cu 0.99791670430981 0.46024847101848 0.96716097255123 63.546 > 15 59 Cu 0.49791670430981 0.96024847101848 0.96716097255123 63.546 > 15 60 Cu 0.99791670430981 0.96024847101848 0.96716097255123 63.546 > 15 61 Cu 0.24791670430981 0.28975152898152 0.03283902744877 63.546 > 16 62 Cu 0.74791670430981 0.28975152898152 0.03283902744877 63.546 > 16 63 Cu 0.24791670430981 0.78975152898152 0.03283902744877 63.546 > 16 64 Cu 0.74791670430981 0.78975152898152 0.03283902744877 63.546 > 16 *65 Cu 0.31374634268848 0.18893016559683 0.41808673383546 63.546 > 17 66 Cu 0.81374634268848 0.18893016559683 0.41808673383546 63.546 > 17 67 Cu 0.31374634268848 0.68893016559683 0.41808673383546 63.546 > 17 68 Cu 0.81374634268848 0.68893016559683 0.41808673383546 63.546 > 17 69 Cu 0.06374634268848 0.06106983440317 0.58191326616454 63.546 > 18 70 Cu 0.56374634268848 0.06106983440317 0.58191326616454 63.546 > 18 71 Cu 0.06374634268848 0.56106983440317 0.58191326616454 63.546 > 18 72 Cu 0.56374634268848 0.56106983440317 0.58191326616454 63.546 > 18 73 Cu 0.18625365731152 0.43893016559683 0.08191326616454 63.546 > 19 74 Cu 0.68625365731152 0.43893016559683 0.08191326616454 63.546 > 19 75 Cu 0.18625365731152 0.93893016559683 0.08191326616454 63.546 > 19 76 Cu 0.68625365731152 0.93893016559683 0.08191326616454 63.546 > 19 77 Cu 0.43625365731152 0.31106983440317 0.91808673383546 63.546 > 20 78 Cu 0.93625365731152 0.31106983440317 0.91808673383546 63.546 > 20 79 Cu 0.43625365731152 0.81106983440317 0.91808673383546 63.546 > 20 80 Cu 0.93625365731152 0.81106983440317 0.91808673383546 63.546 > 20 *81 Cu 0.26349077791361 0.08872438340266 0.10011611610131 63.546 > 21 82 Cu 0.76349077791361 0.08872438340266 0.10011611610131 63.546 > 21 83 Cu 0.26349077791361 0.58872438340266 0.10011611610131 63.546 > 21 84 Cu 0.76349077791361 0.58872438340266 0.10011611610131 63.546 > 21 85 Cu 0.01349077791361 0.16127561659734 0.89988388389869 63.546 > 22 86 Cu 0.51349077791361 0.16127561659734 0.89988388389869 63.546 > 22 87 Cu 0.01349077791361 0.66127561659734 0.89988388389869 63.546 > 22 88 Cu 0.51349077791361 0.66127561659734 0.89988388389869 63.546 > 22 89 Cu 0.23650922208639 0.33872438340266 0.39988388389869 63.546 > 23 90 Cu 0.73650922208639 0.33872438340266 0.39988388389869 63.546 > 23 91 Cu 0.23650922208639 0.83872438340266 0.39988388389869 63.546 > 23 92 Cu 0.73650922208639 0.83872438340266 0.39988388389869 63.546 > 23 93 Cu 0.48650922208639 0.41127561659734 0.60011611610131 63.546 > 24 94 Cu 0.98650922208639 0.41127561659734 0.60011611610131 63.546 > 24 95 Cu 0.48650922208639 0.91127561659734 0.60011611610131 63.546 > 24 96 Cu 0.98650922208639 0.91127561659734 0.60011611610131 63.546 > 24 *97 Sb 0.19540696729279 0.35835060440198 0.73726303817905 121.760 > 25 98 Sb 0.69540696729279 0.35835060440198 0.73726303817905 121.760 > 25 99 Sb 0.19540696729279 0.85835060440198 0.73726303817905 121.760 > 25 100 Sb 0.69540696729279 0.85835060440198 0.73726303817905 121.760 > 25 101 Sb 0.44540696729279 0.39164939559802 0.26273696182095 121.760 > 26 102 Sb 0.94540696729279 0.39164939559802 0.26273696182095 121.760 > 26 103 Sb 0.44540696729279 0.89164939559802 0.26273696182095 121.760 > 26 104 Sb 0.94540696729279 0.89164939559802 0.26273696182095 121.760 > 26 105 Sb 0.30459303270721 0.10835060440198 0.76273696182095 121.760 > 27 106 Sb 0.80459303270721 0.10835060440198 0.76273696182095 121.760 > 27 107 Sb 0.30459303270721 0.60835060440198 0.76273696182095 121.760 > 27 108 Sb 0.80459303270721 0.60835060440198 0.76273696182095 121.760 > 27 109 Sb 0.05459303270721 0.14164939559802 0.23726303817905 121.760 > 28 110 Sb 0.55459303270721 0.14164939559802 0.23726303817905 121.760 > 28 111 Sb 0.05459303270721 0.64164939559802 0.23726303817905 121.760 > 28 112 Sb 0.55459303270721 0.64164939559802 0.23726303817905 121.760 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.9739882 0.0000000 0.0000000 0.0000000 11.4733650 0.0000000 0.0000000 0.0000000 13.5055071 -------------------------- Born effective charges -------------------------- 1 S -1.5609426 0.3749820 0.7476152 -0.0294345 -1.3712068 -0.0029926 0.7096069 -0.3650071 -2.2478864 2 S -1.5609426 -0.3749820 -0.7476152 0.0294345 -1.3712068 -0.0029926 -0.7096069 -0.3650071 -2.2478864 3 S -1.5609426 0.3749820 -0.7476152 -0.0294345 -1.3712068 0.0029926 -0.7096069 0.3650071 -2.2478864 4 S -1.5609426 -0.3749820 0.7476152 0.0294345 -1.3712068 0.0029926 0.7096069 0.3650071 -2.2478864 5 S -1.8087416 0.7331672 -0.0192327 0.4583923 -1.9349672 0.2483746 0.0554190 0.0675827 -1.1528541 6 S -1.8087416 -0.7331672 0.0192327 -0.4583923 -1.9349672 0.2483746 -0.0554190 0.0675827 -1.1528541 7 S -1.8087416 -0.7331672 -0.0192327 -0.4583923 -1.9349672 -0.2483746 0.0554190 -0.0675827 -1.1528541 8 S -1.8087416 0.7331672 0.0192327 0.4583923 -1.9349672 -0.2483746 -0.0554190 -0.0675827 -1.1528541 9 S -1.3210752 -0.5173440 -0.6553814 -0.1759767 -1.0177828 -0.0750946 -0.9346813 -0.4161042 -2.2308747 10 S -1.3210752 0.5173440 0.6553814 0.1759767 -1.0177828 -0.0750946 0.9346813 -0.4161042 -2.2308747 11 S -1.3210752 0.5173440 -0.6553814 0.1759767 -1.0177828 0.0750946 -0.9346813 0.4161042 -2.2308747 12 S -1.3210752 -0.5173440 0.6553814 -0.1759767 -1.0177828 0.0750946 0.9346813 0.4161042 -2.2308747 13 Cu 0.6545086 0.0120785 0.0766697 -0.1574162 0.5072854 -0.0710063 0.0189964 0.0262564 0.5600357 14 Cu 0.6545086 -0.0120785 -0.0766697 0.1574162 0.5072854 -0.0710063 -0.0189964 0.0262564 0.5600357 15 Cu 0.6545086 0.0120785 -0.0766697 -0.1574162 0.5072854 0.0710063 -0.0189964 -0.0262564 0.5600357 16 Cu 0.6545086 -0.0120785 0.0766697 0.1574162 0.5072854 0.0710063 0.0189964 -0.0262564 0.5600357 17 Cu 0.6057896 0.0039461 -0.0650163 -0.0998425 0.6010291 -0.1902341 -0.1272838 -0.2762770 0.5547295 18 Cu 0.6057896 -0.0039461 0.0650163 0.0998425 0.6010291 -0.1902341 0.1272838 -0.2762770 0.5547295 19 Cu 0.6057896 -0.0039461 -0.0650163 0.0998425 0.6010291 0.1902341 -0.1272838 0.2762770 0.5547295 20 Cu 0.6057896 0.0039461 0.0650163 -0.0998425 0.6010291 0.1902341 0.1272838 0.2762770 0.5547295 21 Cu 0.3058785 0.2599704 0.1082630 -0.0859075 0.7403743 -0.3055584 0.2434823 -0.3446172 0.3916766 22 Cu 0.3058785 -0.2599704 -0.1082630 0.0859075 0.7403743 -0.3055584 -0.2434823 -0.3446172 0.3916766 23 Cu 0.3058785 -0.2599704 0.1082630 0.0859075 0.7403743 0.3055584 0.2434823 0.3446172 0.3916766 24 Cu 0.3058785 0.2599704 -0.1082630 -0.0859075 0.7403743 0.3055584 -0.2434823 0.3446172 0.3916766 25 Sb 3.1245826 -0.6766725 0.2491032 -0.6098518 2.4752681 -0.2337721 0.3943781 -0.2831454 4.1251734 26 Sb 3.1245826 0.6766725 -0.2491032 0.6098518 2.4752681 -0.2337721 -0.3943781 -0.2831454 4.1251734 27 Sb 3.1245826 0.6766725 0.2491032 0.6098518 2.4752681 0.2337721 0.3943781 0.2831454 4.1251734 28 Sb 3.1245826 -0.6766725 -0.2491032 -0.6098518 2.4752681 0.2337721 -0.3943781 0.2831454 4.1251734 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3549), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.967 Solver_block: 200 / 880 - Time: 0.789 Solver_block: 300 / 880 - Time: 0.794 Solver_block: 400 / 880 - Time: 0.797 Solver_block: 500 / 880 - Time: 0.792 Solver_block: 600 / 880 - Time: 0.796 Solver_block: 700 / 880 - Time: 0.791 Solver_block: 800 / 880 - Time: 0.792 Solver_block: 880 / 880 - Time: 0.653 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.339 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3612 Number of blocks in projector: 3612 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 272 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 420 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 420 Use standard eigh solver. Tree of FC basis block matrices: - (3612, 3549), data: False |-- (420, 413), data: True |-- (420, 413), data: True |-- (420, 413), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 13), data: (500, 27) @ (27, 13) |-- (250, 237), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 12), data: (784, 26) @ (26, 12) |-- (284, 272), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 03:37:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:37:04]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.276847090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.880176709999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.132813339999998 Atomic positions (fractional): 1 S 0.11582866566958 0.67517924026284 0.07318181908740 32.065 2 S 0.61582866566958 0.82482075973716 0.92681818091260 32.065 3 S 0.38417133433042 0.32482075973716 0.57318181908740 32.065 4 S 0.88417133433042 0.17517924026284 0.42681818091260 32.065 5 S 0.36033242910952 0.04011499083210 0.26223627036756 32.065 6 S 0.86033242910952 0.45988500916790 0.73776372963244 32.065 7 S 0.63966757089048 0.54011499083210 0.23776372963244 32.065 8 S 0.13966757089048 0.95988500916790 0.76223627036756 32.065 9 S 0.88170471421506 0.16159696158273 0.05794060115713 32.065 10 S 0.38170471421506 0.33840303841727 0.94205939884287 32.065 11 S 0.11829528578494 0.66159696158273 0.44205939884287 32.065 12 S 0.61829528578494 0.83840303841727 0.55794060115713 32.065 13 Cu 0.50416659138039 0.07950305796303 0.46716097255123 63.546 14 Cu 0.00416659138039 0.42049694203697 0.53283902744877 63.546 15 Cu 0.99583340861961 0.92049694203697 0.96716097255123 63.546 16 Cu 0.49583340861961 0.57950305796303 0.03283902744877 63.546 17 Cu 0.62749268537696 0.37786033119366 0.41808673383546 63.546 18 Cu 0.12749268537696 0.12213966880634 0.58191326616454 63.546 19 Cu 0.37250731462304 0.87786033119366 0.08191326616454 63.546 20 Cu 0.87250731462304 0.62213966880634 0.91808673383546 63.546 21 Cu 0.52698155582722 0.17744876680531 0.10011611610131 63.546 22 Cu 0.02698155582722 0.32255123319468 0.89988388389869 63.546 23 Cu 0.47301844417278 0.67744876680531 0.39988388389869 63.546 24 Cu 0.97301844417278 0.82255123319469 0.60011611610131 63.546 25 Sb 0.39081393458558 0.71670120880396 0.73726303817905 121.760 26 Sb 0.89081393458558 0.78329879119604 0.26273696182095 121.760 27 Sb 0.60918606541442 0.21670120880396 0.76273696182095 121.760 28 Sb 0.10918606541442 0.28329879119604 0.23726303817905 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.553694180000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.760353419999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.132813339999998 Atomic positions (fractional): 1 S 0.05791433283479 0.33758962013142 0.07318181908740 32.065 > 1 2 S 0.55791433283479 0.33758962013142 0.07318181908740 32.065 > 1 3 S 0.05791433283479 0.83758962013142 0.07318181908740 32.065 > 1 4 S 0.55791433283479 0.83758962013142 0.07318181908740 32.065 > 1 5 S 0.30791433283479 0.41241037986858 0.92681818091260 32.065 > 5 6 S 0.80791433283479 0.41241037986858 0.92681818091260 32.065 > 5 7 S 0.30791433283479 0.91241037986858 0.92681818091260 32.065 > 5 8 S 0.80791433283479 0.91241037986858 0.92681818091260 32.065 > 5 9 S 0.19208566716521 0.16241037986858 0.57318181908740 32.065 > 9 10 S 0.69208566716521 0.16241037986858 0.57318181908740 32.065 > 9 11 S 0.19208566716521 0.66241037986858 0.57318181908740 32.065 > 9 12 S 0.69208566716521 0.66241037986858 0.57318181908740 32.065 > 9 13 S 0.44208566716521 0.08758962013142 0.42681818091260 32.065 > 13 14 S 0.94208566716521 0.08758962013142 0.42681818091260 32.065 > 13 15 S 0.44208566716521 0.58758962013142 0.42681818091260 32.065 > 13 16 S 0.94208566716521 0.58758962013142 0.42681818091260 32.065 > 13 17 S 0.18016621455476 0.02005749541605 0.26223627036756 32.065 > 17 18 S 0.68016621455476 0.02005749541605 0.26223627036756 32.065 > 17 19 S 0.18016621455476 0.52005749541605 0.26223627036756 32.065 > 17 20 S 0.68016621455476 0.52005749541605 0.26223627036756 32.065 > 17 21 S 0.43016621455476 0.22994250458395 0.73776372963244 32.065 > 21 22 S 0.93016621455476 0.22994250458395 0.73776372963244 32.065 > 21 23 S 0.43016621455476 0.72994250458395 0.73776372963244 32.065 > 21 24 S 0.93016621455476 0.72994250458395 0.73776372963244 32.065 > 21 25 S 0.31983378544524 0.27005749541605 0.23776372963244 32.065 > 25 26 S 0.81983378544524 0.27005749541605 0.23776372963244 32.065 > 25 27 S 0.31983378544524 0.77005749541605 0.23776372963244 32.065 > 25 28 S 0.81983378544524 0.77005749541605 0.23776372963244 32.065 > 25 29 S 0.06983378544524 0.47994250458395 0.76223627036756 32.065 > 29 30 S 0.56983378544524 0.47994250458395 0.76223627036756 32.065 > 29 31 S 0.06983378544524 0.97994250458395 0.76223627036756 32.065 > 29 32 S 0.56983378544524 0.97994250458395 0.76223627036756 32.065 > 29 33 S 0.44085235710753 0.08079848079137 0.05794060115713 32.065 > 33 34 S 0.94085235710753 0.08079848079137 0.05794060115713 32.065 > 33 35 S 0.44085235710753 0.58079848079137 0.05794060115713 32.065 > 33 36 S 0.94085235710753 0.58079848079137 0.05794060115713 32.065 > 33 37 S 0.19085235710753 0.16920151920863 0.94205939884287 32.065 > 37 38 S 0.69085235710753 0.16920151920863 0.94205939884287 32.065 > 37 39 S 0.19085235710753 0.66920151920863 0.94205939884287 32.065 > 37 40 S 0.69085235710753 0.66920151920863 0.94205939884287 32.065 > 37 41 S 0.05914764289247 0.33079848079137 0.44205939884287 32.065 > 41 42 S 0.55914764289247 0.33079848079137 0.44205939884287 32.065 > 41 43 S 0.05914764289247 0.83079848079137 0.44205939884287 32.065 > 41 44 S 0.55914764289247 0.83079848079137 0.44205939884287 32.065 > 41 45 S 0.30914764289247 0.41920151920863 0.55794060115713 32.065 > 45 46 S 0.80914764289247 0.41920151920863 0.55794060115713 32.065 > 45 47 S 0.30914764289247 0.91920151920863 0.55794060115713 32.065 > 45 48 S 0.80914764289247 0.91920151920863 0.55794060115713 32.065 > 45 49 Cu 0.25208329569019 0.03975152898152 0.46716097255123 63.546 > 49 50 Cu 0.75208329569019 0.03975152898152 0.46716097255123 63.546 > 49 51 Cu 0.25208329569019 0.53975152898152 0.46716097255123 63.546 > 49 52 Cu 0.75208329569019 0.53975152898152 0.46716097255123 63.546 > 49 53 Cu 0.00208329569019 0.21024847101848 0.53283902744877 63.546 > 53 54 Cu 0.50208329569019 0.21024847101848 0.53283902744877 63.546 > 53 55 Cu 0.00208329569019 0.71024847101848 0.53283902744877 63.546 > 53 56 Cu 0.50208329569019 0.71024847101848 0.53283902744877 63.546 > 53 57 Cu 0.49791670430981 0.46024847101848 0.96716097255123 63.546 > 57 58 Cu 0.99791670430981 0.46024847101848 0.96716097255123 63.546 > 57 59 Cu 0.49791670430981 0.96024847101848 0.96716097255123 63.546 > 57 60 Cu 0.99791670430981 0.96024847101848 0.96716097255123 63.546 > 57 61 Cu 0.24791670430981 0.28975152898152 0.03283902744877 63.546 > 61 62 Cu 0.74791670430981 0.28975152898152 0.03283902744877 63.546 > 61 63 Cu 0.24791670430981 0.78975152898152 0.03283902744877 63.546 > 61 64 Cu 0.74791670430981 0.78975152898152 0.03283902744877 63.546 > 61 65 Cu 0.31374634268848 0.18893016559683 0.41808673383546 63.546 > 65 66 Cu 0.81374634268848 0.18893016559683 0.41808673383546 63.546 > 65 67 Cu 0.31374634268848 0.68893016559683 0.41808673383546 63.546 > 65 68 Cu 0.81374634268848 0.68893016559683 0.41808673383546 63.546 > 65 69 Cu 0.06374634268848 0.06106983440317 0.58191326616454 63.546 > 69 70 Cu 0.56374634268848 0.06106983440317 0.58191326616454 63.546 > 69 71 Cu 0.06374634268848 0.56106983440317 0.58191326616454 63.546 > 69 72 Cu 0.56374634268848 0.56106983440317 0.58191326616454 63.546 > 69 73 Cu 0.18625365731152 0.43893016559683 0.08191326616454 63.546 > 73 74 Cu 0.68625365731152 0.43893016559683 0.08191326616454 63.546 > 73 75 Cu 0.18625365731152 0.93893016559683 0.08191326616454 63.546 > 73 76 Cu 0.68625365731152 0.93893016559683 0.08191326616454 63.546 > 73 77 Cu 0.43625365731152 0.31106983440317 0.91808673383546 63.546 > 77 78 Cu 0.93625365731152 0.31106983440317 0.91808673383546 63.546 > 77 79 Cu 0.43625365731152 0.81106983440317 0.91808673383546 63.546 > 77 80 Cu 0.93625365731152 0.81106983440317 0.91808673383546 63.546 > 77 81 Cu 0.26349077791361 0.08872438340266 0.10011611610131 63.546 > 81 82 Cu 0.76349077791361 0.08872438340266 0.10011611610131 63.546 > 81 83 Cu 0.26349077791361 0.58872438340266 0.10011611610131 63.546 > 81 84 Cu 0.76349077791361 0.58872438340266 0.10011611610131 63.546 > 81 85 Cu 0.01349077791361 0.16127561659734 0.89988388389869 63.546 > 85 86 Cu 0.51349077791361 0.16127561659734 0.89988388389869 63.546 > 85 87 Cu 0.01349077791361 0.66127561659734 0.89988388389869 63.546 > 85 88 Cu 0.51349077791361 0.66127561659734 0.89988388389869 63.546 > 85 89 Cu 0.23650922208639 0.33872438340266 0.39988388389869 63.546 > 89 90 Cu 0.73650922208639 0.33872438340266 0.39988388389869 63.546 > 89 91 Cu 0.23650922208639 0.83872438340266 0.39988388389869 63.546 > 89 92 Cu 0.73650922208639 0.83872438340266 0.39988388389869 63.546 > 89 93 Cu 0.48650922208639 0.41127561659734 0.60011611610131 63.546 > 93 94 Cu 0.98650922208639 0.41127561659734 0.60011611610131 63.546 > 93 95 Cu 0.48650922208639 0.91127561659734 0.60011611610131 63.546 > 93 96 Cu 0.98650922208639 0.91127561659734 0.60011611610131 63.546 > 93 97 Sb 0.19540696729279 0.35835060440198 0.73726303817905 121.760 > 97 98 Sb 0.69540696729279 0.35835060440198 0.73726303817905 121.760 > 97 99 Sb 0.19540696729279 0.85835060440198 0.73726303817905 121.760 > 97 100 Sb 0.69540696729279 0.85835060440198 0.73726303817905 121.760 > 97 101 Sb 0.44540696729279 0.39164939559802 0.26273696182095 121.760 > 101 102 Sb 0.94540696729279 0.39164939559802 0.26273696182095 121.760 > 101 103 Sb 0.44540696729279 0.89164939559802 0.26273696182095 121.760 > 101 104 Sb 0.94540696729279 0.89164939559802 0.26273696182095 121.760 > 101 105 Sb 0.30459303270721 0.10835060440198 0.76273696182095 121.760 > 105 106 Sb 0.80459303270721 0.10835060440198 0.76273696182095 121.760 > 105 107 Sb 0.30459303270721 0.60835060440198 0.76273696182095 121.760 > 105 108 Sb 0.80459303270721 0.60835060440198 0.76273696182095 121.760 > 105 109 Sb 0.05459303270721 0.14164939559802 0.23726303817905 121.760 > 109 110 Sb 0.55459303270721 0.14164939559802 0.23726303817905 121.760 > 109 111 Sb 0.05459303270721 0.64164939559802 0.23726303817905 121.760 > 109 112 Sb 0.55459303270721 0.64164939559802 0.23726303817905 121.760 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.9739882 0.0000000 0.0000000 0.0000000 11.4733650 0.0000000 0.0000000 0.0000000 13.5055071 -------------------------- Born effective charges -------------------------- 1 S -1.5609426 0.3749820 0.7476152 -0.0294345 -1.3712068 -0.0029926 0.7096069 -0.3650071 -2.2478864 2 S -1.5609426 -0.3749820 -0.7476152 0.0294345 -1.3712068 -0.0029926 -0.7096069 -0.3650071 -2.2478864 3 S -1.5609426 0.3749820 -0.7476152 -0.0294345 -1.3712068 0.0029926 -0.7096069 0.3650071 -2.2478864 4 S -1.5609426 -0.3749820 0.7476152 0.0294345 -1.3712068 0.0029926 0.7096069 0.3650071 -2.2478864 5 S -1.8087416 0.7331672 -0.0192327 0.4583923 -1.9349672 0.2483746 0.0554190 0.0675827 -1.1528541 6 S -1.8087416 -0.7331672 0.0192327 -0.4583923 -1.9349672 0.2483746 -0.0554190 0.0675827 -1.1528541 7 S -1.8087416 -0.7331672 -0.0192327 -0.4583923 -1.9349672 -0.2483746 0.0554190 -0.0675827 -1.1528541 8 S -1.8087416 0.7331672 0.0192327 0.4583923 -1.9349672 -0.2483746 -0.0554190 -0.0675827 -1.1528541 9 S -1.3210752 -0.5173440 -0.6553814 -0.1759767 -1.0177828 -0.0750946 -0.9346813 -0.4161042 -2.2308747 10 S -1.3210752 0.5173440 0.6553814 0.1759767 -1.0177828 -0.0750946 0.9346813 -0.4161042 -2.2308747 11 S -1.3210752 0.5173440 -0.6553814 0.1759767 -1.0177828 0.0750946 -0.9346813 0.4161042 -2.2308747 12 S -1.3210752 -0.5173440 0.6553814 -0.1759767 -1.0177828 0.0750946 0.9346813 0.4161042 -2.2308747 13 Cu 0.6545086 0.0120785 0.0766697 -0.1574162 0.5072854 -0.0710063 0.0189964 0.0262564 0.5600357 14 Cu 0.6545086 -0.0120785 -0.0766697 0.1574162 0.5072854 -0.0710063 -0.0189964 0.0262564 0.5600357 15 Cu 0.6545086 0.0120785 -0.0766697 -0.1574162 0.5072854 0.0710063 -0.0189964 -0.0262564 0.5600357 16 Cu 0.6545086 -0.0120785 0.0766697 0.1574162 0.5072854 0.0710063 0.0189964 -0.0262564 0.5600357 17 Cu 0.6057896 0.0039461 -0.0650163 -0.0998425 0.6010291 -0.1902341 -0.1272838 -0.2762770 0.5547295 18 Cu 0.6057896 -0.0039461 0.0650163 0.0998425 0.6010291 -0.1902341 0.1272838 -0.2762770 0.5547295 19 Cu 0.6057896 -0.0039461 -0.0650163 0.0998425 0.6010291 0.1902341 -0.1272838 0.2762770 0.5547295 20 Cu 0.6057896 0.0039461 0.0650163 -0.0998425 0.6010291 0.1902341 0.1272838 0.2762770 0.5547295 21 Cu 0.3058785 0.2599704 0.1082630 -0.0859075 0.7403743 -0.3055584 0.2434823 -0.3446172 0.3916766 22 Cu 0.3058785 -0.2599704 -0.1082630 0.0859075 0.7403743 -0.3055584 -0.2434823 -0.3446172 0.3916766 23 Cu 0.3058785 -0.2599704 0.1082630 0.0859075 0.7403743 0.3055584 0.2434823 0.3446172 0.3916766 24 Cu 0.3058785 0.2599704 -0.1082630 -0.0859075 0.7403743 0.3055584 -0.2434823 0.3446172 0.3916766 25 Sb 3.1245826 -0.6766725 0.2491032 -0.6098518 2.4752681 -0.2337721 0.3943781 -0.2831454 4.1251734 26 Sb 3.1245826 0.6766725 -0.2491032 0.6098518 2.4752681 -0.2337721 -0.3943781 -0.2831454 4.1251734 27 Sb 3.1245826 0.6766725 0.2491032 0.6098518 2.4752681 0.2337721 0.3943781 0.2831454 4.1251734 28 Sb 3.1245826 -0.6766725 -0.2491032 -0.6098518 2.4752681 0.2337721 -0.3943781 0.2831454 4.1251734 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yx) 0.00000001 (yx) 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 03:37:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:37:37]------------------------- 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 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_12_12_1 (19) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.276847090000000 0.000000000000000 0.000000000000000 b 0.000000000000000 7.880176709999999 0.000000000000000 c 0.000000000000000 0.000000000000000 10.132813339999998 Atomic positions (fractional): 1 S 0.11582866566958 0.67517924026284 0.07318181908740 32.065 2 S 0.61582866566958 0.82482075973716 0.92681818091260 32.065 3 S 0.38417133433042 0.32482075973716 0.57318181908740 32.065 4 S 0.88417133433042 0.17517924026284 0.42681818091260 32.065 5 S 0.36033242910952 0.04011499083210 0.26223627036756 32.065 6 S 0.86033242910952 0.45988500916790 0.73776372963244 32.065 7 S 0.63966757089048 0.54011499083210 0.23776372963244 32.065 8 S 0.13966757089048 0.95988500916790 0.76223627036756 32.065 9 S 0.88170471421506 0.16159696158273 0.05794060115713 32.065 10 S 0.38170471421506 0.33840303841727 0.94205939884287 32.065 11 S 0.11829528578494 0.66159696158273 0.44205939884287 32.065 12 S 0.61829528578494 0.83840303841727 0.55794060115713 32.065 13 Cu 0.50416659138039 0.07950305796303 0.46716097255123 63.546 14 Cu 0.00416659138039 0.42049694203697 0.53283902744877 63.546 15 Cu 0.99583340861961 0.92049694203697 0.96716097255123 63.546 16 Cu 0.49583340861961 0.57950305796303 0.03283902744877 63.546 17 Cu 0.62749268537696 0.37786033119366 0.41808673383546 63.546 18 Cu 0.12749268537696 0.12213966880634 0.58191326616454 63.546 19 Cu 0.37250731462304 0.87786033119366 0.08191326616454 63.546 20 Cu 0.87250731462304 0.62213966880634 0.91808673383546 63.546 21 Cu 0.52698155582722 0.17744876680531 0.10011611610131 63.546 22 Cu 0.02698155582722 0.32255123319468 0.89988388389869 63.546 23 Cu 0.47301844417278 0.67744876680531 0.39988388389869 63.546 24 Cu 0.97301844417278 0.82255123319469 0.60011611610131 63.546 25 Sb 0.39081393458558 0.71670120880396 0.73726303817905 121.760 26 Sb 0.89081393458558 0.78329879119604 0.26273696182095 121.760 27 Sb 0.60918606541442 0.21670120880396 0.76273696182095 121.760 28 Sb 0.10918606541442 0.28329879119604 0.23726303817905 121.760 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.553694180000001 0.000000000000000 0.000000000000000 b 0.000000000000000 15.760353419999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.132813339999998 Atomic positions (fractional): 1 S 0.05791433283479 0.33758962013142 0.07318181908740 32.065 > 1 2 S 0.55791433283479 0.33758962013142 0.07318181908740 32.065 > 1 3 S 0.05791433283479 0.83758962013142 0.07318181908740 32.065 > 1 4 S 0.55791433283479 0.83758962013142 0.07318181908740 32.065 > 1 5 S 0.30791433283479 0.41241037986858 0.92681818091260 32.065 > 5 6 S 0.80791433283479 0.41241037986858 0.92681818091260 32.065 > 5 7 S 0.30791433283479 0.91241037986858 0.92681818091260 32.065 > 5 8 S 0.80791433283479 0.91241037986858 0.92681818091260 32.065 > 5 9 S 0.19208566716521 0.16241037986858 0.57318181908740 32.065 > 9 10 S 0.69208566716521 0.16241037986858 0.57318181908740 32.065 > 9 11 S 0.19208566716521 0.66241037986858 0.57318181908740 32.065 > 9 12 S 0.69208566716521 0.66241037986858 0.57318181908740 32.065 > 9 13 S 0.44208566716521 0.08758962013142 0.42681818091260 32.065 > 13 14 S 0.94208566716521 0.08758962013142 0.42681818091260 32.065 > 13 15 S 0.44208566716521 0.58758962013142 0.42681818091260 32.065 > 13 16 S 0.94208566716521 0.58758962013142 0.42681818091260 32.065 > 13 17 S 0.18016621455476 0.02005749541605 0.26223627036756 32.065 > 17 18 S 0.68016621455476 0.02005749541605 0.26223627036756 32.065 > 17 19 S 0.18016621455476 0.52005749541605 0.26223627036756 32.065 > 17 20 S 0.68016621455476 0.52005749541605 0.26223627036756 32.065 > 17 21 S 0.43016621455476 0.22994250458395 0.73776372963244 32.065 > 21 22 S 0.93016621455476 0.22994250458395 0.73776372963244 32.065 > 21 23 S 0.43016621455476 0.72994250458395 0.73776372963244 32.065 > 21 24 S 0.93016621455476 0.72994250458395 0.73776372963244 32.065 > 21 25 S 0.31983378544524 0.27005749541605 0.23776372963244 32.065 > 25 26 S 0.81983378544524 0.27005749541605 0.23776372963244 32.065 > 25 27 S 0.31983378544524 0.77005749541605 0.23776372963244 32.065 > 25 28 S 0.81983378544524 0.77005749541605 0.23776372963244 32.065 > 25 29 S 0.06983378544524 0.47994250458395 0.76223627036756 32.065 > 29 30 S 0.56983378544524 0.47994250458395 0.76223627036756 32.065 > 29 31 S 0.06983378544524 0.97994250458395 0.76223627036756 32.065 > 29 32 S 0.56983378544524 0.97994250458395 0.76223627036756 32.065 > 29 33 S 0.44085235710753 0.08079848079137 0.05794060115713 32.065 > 33 34 S 0.94085235710753 0.08079848079137 0.05794060115713 32.065 > 33 35 S 0.44085235710753 0.58079848079137 0.05794060115713 32.065 > 33 36 S 0.94085235710753 0.58079848079137 0.05794060115713 32.065 > 33 37 S 0.19085235710753 0.16920151920863 0.94205939884287 32.065 > 37 38 S 0.69085235710753 0.16920151920863 0.94205939884287 32.065 > 37 39 S 0.19085235710753 0.66920151920863 0.94205939884287 32.065 > 37 40 S 0.69085235710753 0.66920151920863 0.94205939884287 32.065 > 37 41 S 0.05914764289247 0.33079848079137 0.44205939884287 32.065 > 41 42 S 0.55914764289247 0.33079848079137 0.44205939884287 32.065 > 41 43 S 0.05914764289247 0.83079848079137 0.44205939884287 32.065 > 41 44 S 0.55914764289247 0.83079848079137 0.44205939884287 32.065 > 41 45 S 0.30914764289247 0.41920151920863 0.55794060115713 32.065 > 45 46 S 0.80914764289247 0.41920151920863 0.55794060115713 32.065 > 45 47 S 0.30914764289247 0.91920151920863 0.55794060115713 32.065 > 45 48 S 0.80914764289247 0.91920151920863 0.55794060115713 32.065 > 45 49 Cu 0.25208329569019 0.03975152898152 0.46716097255123 63.546 > 49 50 Cu 0.75208329569019 0.03975152898152 0.46716097255123 63.546 > 49 51 Cu 0.25208329569019 0.53975152898152 0.46716097255123 63.546 > 49 52 Cu 0.75208329569019 0.53975152898152 0.46716097255123 63.546 > 49 53 Cu 0.00208329569019 0.21024847101848 0.53283902744877 63.546 > 53 54 Cu 0.50208329569019 0.21024847101848 0.53283902744877 63.546 > 53 55 Cu 0.00208329569019 0.71024847101848 0.53283902744877 63.546 > 53 56 Cu 0.50208329569019 0.71024847101848 0.53283902744877 63.546 > 53 57 Cu 0.49791670430981 0.46024847101848 0.96716097255123 63.546 > 57 58 Cu 0.99791670430981 0.46024847101848 0.96716097255123 63.546 > 57 59 Cu 0.49791670430981 0.96024847101848 0.96716097255123 63.546 > 57 60 Cu 0.99791670430981 0.96024847101848 0.96716097255123 63.546 > 57 61 Cu 0.24791670430981 0.28975152898152 0.03283902744877 63.546 > 61 62 Cu 0.74791670430981 0.28975152898152 0.03283902744877 63.546 > 61 63 Cu 0.24791670430981 0.78975152898152 0.03283902744877 63.546 > 61 64 Cu 0.74791670430981 0.78975152898152 0.03283902744877 63.546 > 61 65 Cu 0.31374634268848 0.18893016559683 0.41808673383546 63.546 > 65 66 Cu 0.81374634268848 0.18893016559683 0.41808673383546 63.546 > 65 67 Cu 0.31374634268848 0.68893016559683 0.41808673383546 63.546 > 65 68 Cu 0.81374634268848 0.68893016559683 0.41808673383546 63.546 > 65 69 Cu 0.06374634268848 0.06106983440317 0.58191326616454 63.546 > 69 70 Cu 0.56374634268848 0.06106983440317 0.58191326616454 63.546 > 69 71 Cu 0.06374634268848 0.56106983440317 0.58191326616454 63.546 > 69 72 Cu 0.56374634268848 0.56106983440317 0.58191326616454 63.546 > 69 73 Cu 0.18625365731152 0.43893016559683 0.08191326616454 63.546 > 73 74 Cu 0.68625365731152 0.43893016559683 0.08191326616454 63.546 > 73 75 Cu 0.18625365731152 0.93893016559683 0.08191326616454 63.546 > 73 76 Cu 0.68625365731152 0.93893016559683 0.08191326616454 63.546 > 73 77 Cu 0.43625365731152 0.31106983440317 0.91808673383546 63.546 > 77 78 Cu 0.93625365731152 0.31106983440317 0.91808673383546 63.546 > 77 79 Cu 0.43625365731152 0.81106983440317 0.91808673383546 63.546 > 77 80 Cu 0.93625365731152 0.81106983440317 0.91808673383546 63.546 > 77 81 Cu 0.26349077791361 0.08872438340266 0.10011611610131 63.546 > 81 82 Cu 0.76349077791361 0.08872438340266 0.10011611610131 63.546 > 81 83 Cu 0.26349077791361 0.58872438340266 0.10011611610131 63.546 > 81 84 Cu 0.76349077791361 0.58872438340266 0.10011611610131 63.546 > 81 85 Cu 0.01349077791361 0.16127561659734 0.89988388389869 63.546 > 85 86 Cu 0.51349077791361 0.16127561659734 0.89988388389869 63.546 > 85 87 Cu 0.01349077791361 0.66127561659734 0.89988388389869 63.546 > 85 88 Cu 0.51349077791361 0.66127561659734 0.89988388389869 63.546 > 85 89 Cu 0.23650922208639 0.33872438340266 0.39988388389869 63.546 > 89 90 Cu 0.73650922208639 0.33872438340266 0.39988388389869 63.546 > 89 91 Cu 0.23650922208639 0.83872438340266 0.39988388389869 63.546 > 89 92 Cu 0.73650922208639 0.83872438340266 0.39988388389869 63.546 > 89 93 Cu 0.48650922208639 0.41127561659734 0.60011611610131 63.546 > 93 94 Cu 0.98650922208639 0.41127561659734 0.60011611610131 63.546 > 93 95 Cu 0.48650922208639 0.91127561659734 0.60011611610131 63.546 > 93 96 Cu 0.98650922208639 0.91127561659734 0.60011611610131 63.546 > 93 97 Sb 0.19540696729279 0.35835060440198 0.73726303817905 121.760 > 97 98 Sb 0.69540696729279 0.35835060440198 0.73726303817905 121.760 > 97 99 Sb 0.19540696729279 0.85835060440198 0.73726303817905 121.760 > 97 100 Sb 0.69540696729279 0.85835060440198 0.73726303817905 121.760 > 97 101 Sb 0.44540696729279 0.39164939559802 0.26273696182095 121.760 > 101 102 Sb 0.94540696729279 0.39164939559802 0.26273696182095 121.760 > 101 103 Sb 0.44540696729279 0.89164939559802 0.26273696182095 121.760 > 101 104 Sb 0.94540696729279 0.89164939559802 0.26273696182095 121.760 > 101 105 Sb 0.30459303270721 0.10835060440198 0.76273696182095 121.760 > 105 106 Sb 0.80459303270721 0.10835060440198 0.76273696182095 121.760 > 105 107 Sb 0.30459303270721 0.60835060440198 0.76273696182095 121.760 > 105 108 Sb 0.80459303270721 0.60835060440198 0.76273696182095 121.760 > 105 109 Sb 0.05459303270721 0.14164939559802 0.23726303817905 121.760 > 109 110 Sb 0.55459303270721 0.14164939559802 0.23726303817905 121.760 > 109 111 Sb 0.05459303270721 0.64164939559802 0.23726303817905 121.760 > 109 112 Sb 0.55459303270721 0.64164939559802 0.23726303817905 121.760 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.9739882 0.0000000 0.0000000 0.0000000 11.4733650 0.0000000 0.0000000 0.0000000 13.5055071 -------------------------- Born effective charges -------------------------- 1 S -1.5609426 0.3749820 0.7476152 -0.0294345 -1.3712068 -0.0029926 0.7096069 -0.3650071 -2.2478864 2 S -1.5609426 -0.3749820 -0.7476152 0.0294345 -1.3712068 -0.0029926 -0.7096069 -0.3650071 -2.2478864 3 S -1.5609426 0.3749820 -0.7476152 -0.0294345 -1.3712068 0.0029926 -0.7096069 0.3650071 -2.2478864 4 S -1.5609426 -0.3749820 0.7476152 0.0294345 -1.3712068 0.0029926 0.7096069 0.3650071 -2.2478864 5 S -1.8087416 0.7331672 -0.0192327 0.4583923 -1.9349672 0.2483746 0.0554190 0.0675827 -1.1528541 6 S -1.8087416 -0.7331672 0.0192327 -0.4583923 -1.9349672 0.2483746 -0.0554190 0.0675827 -1.1528541 7 S -1.8087416 -0.7331672 -0.0192327 -0.4583923 -1.9349672 -0.2483746 0.0554190 -0.0675827 -1.1528541 8 S -1.8087416 0.7331672 0.0192327 0.4583923 -1.9349672 -0.2483746 -0.0554190 -0.0675827 -1.1528541 9 S -1.3210752 -0.5173440 -0.6553814 -0.1759767 -1.0177828 -0.0750946 -0.9346813 -0.4161042 -2.2308747 10 S -1.3210752 0.5173440 0.6553814 0.1759767 -1.0177828 -0.0750946 0.9346813 -0.4161042 -2.2308747 11 S -1.3210752 0.5173440 -0.6553814 0.1759767 -1.0177828 0.0750946 -0.9346813 0.4161042 -2.2308747 12 S -1.3210752 -0.5173440 0.6553814 -0.1759767 -1.0177828 0.0750946 0.9346813 0.4161042 -2.2308747 13 Cu 0.6545086 0.0120785 0.0766697 -0.1574162 0.5072854 -0.0710063 0.0189964 0.0262564 0.5600357 14 Cu 0.6545086 -0.0120785 -0.0766697 0.1574162 0.5072854 -0.0710063 -0.0189964 0.0262564 0.5600357 15 Cu 0.6545086 0.0120785 -0.0766697 -0.1574162 0.5072854 0.0710063 -0.0189964 -0.0262564 0.5600357 16 Cu 0.6545086 -0.0120785 0.0766697 0.1574162 0.5072854 0.0710063 0.0189964 -0.0262564 0.5600357 17 Cu 0.6057896 0.0039461 -0.0650163 -0.0998425 0.6010291 -0.1902341 -0.1272838 -0.2762770 0.5547295 18 Cu 0.6057896 -0.0039461 0.0650163 0.0998425 0.6010291 -0.1902341 0.1272838 -0.2762770 0.5547295 19 Cu 0.6057896 -0.0039461 -0.0650163 0.0998425 0.6010291 0.1902341 -0.1272838 0.2762770 0.5547295 20 Cu 0.6057896 0.0039461 0.0650163 -0.0998425 0.6010291 0.1902341 0.1272838 0.2762770 0.5547295 21 Cu 0.3058785 0.2599704 0.1082630 -0.0859075 0.7403743 -0.3055584 0.2434823 -0.3446172 0.3916766 22 Cu 0.3058785 -0.2599704 -0.1082630 0.0859075 0.7403743 -0.3055584 -0.2434823 -0.3446172 0.3916766 23 Cu 0.3058785 -0.2599704 0.1082630 0.0859075 0.7403743 0.3055584 0.2434823 0.3446172 0.3916766 24 Cu 0.3058785 0.2599704 -0.1082630 -0.0859075 0.7403743 0.3055584 -0.2434823 0.3446172 0.3916766 25 Sb 3.1245826 -0.6766725 0.2491032 -0.6098518 2.4752681 -0.2337721 0.3943781 -0.2831454 4.1251734 26 Sb 3.1245826 0.6766725 -0.2491032 0.6098518 2.4752681 -0.2337721 -0.3943781 -0.2831454 4.1251734 27 Sb 3.1245826 0.6766725 0.2491032 0.6098518 2.4752681 0.2337721 0.3943781 0.2831454 4.1251734 28 Sb 3.1245826 -0.6766725 -0.2491032 -0.6098518 2.4752681 0.2337721 -0.3943781 0.2831454 4.1251734 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 6 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: 0.52, Number of G-points: 301, Lambda: 0.19 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.167 ( 0.000 0.000 0.000) 0.000 1.184 ( 0.000 0.000 0.000) 0.000 1.481 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 0.000) 0.000 1.618 ( 0.000 0.000 0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 1.838 ( 0.000 0.000 0.000) 0.000 1.865 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 1.938 ( 0.000 0.000 0.000) 0.000 1.989 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.265 ( 0.000 0.000 0.000) 0.000 2.273 ( 0.000 0.000 0.000) 0.000 2.286 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.294 ( 0.000 0.000 0.000) 0.000 2.499 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.635 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.910 ( 0.000 0.000 0.000) 0.000 2.920 ( 0.000 0.000 0.000) 0.000 2.979 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.302 ( 0.000 0.000 0.000) 0.000 3.308 ( 0.000 0.000 0.000) 0.000 3.377 ( 0.000 0.000 0.000) 0.000 3.511 ( 0.000 0.000 0.000) 0.000 3.611 ( 0.000 0.000 0.000) 0.000 4.053 ( 0.000 0.000 0.000) 0.000 4.223 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.304 ( 0.000 0.000 0.000) 0.000 4.428 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.861 ( 0.000 0.000 0.000) 0.000 5.026 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.103 ( 0.000 0.000 0.000) 0.000 6.804 ( 0.000 0.000 0.000) 0.000 6.866 ( 0.000 0.000 0.000) 0.000 6.884 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.428 ( 0.000 0.000 0.000) 0.000 7.570 ( 0.000 0.000 0.000) 0.000 7.635 ( 0.000 0.000 0.000) 0.000 7.717 ( 0.000 0.000 0.000) 0.000 8.049 ( 0.000 0.000 0.000) 0.000 8.064 ( 0.000 0.000 0.000) 0.000 8.065 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 8.254 ( 0.000 0.000 0.000) 0.000 8.270 ( 0.000 0.000 0.000) 0.000 8.334 ( 0.000 0.000 0.000) 0.000 8.569 ( 0.000 0.000 0.000) 0.000 8.838 ( 0.000 0.000 0.000) 0.000 8.875 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 8.991 ( 0.000 0.000 0.000) 0.000 9.277 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 0.000 0.000) 0.000 9.429 ( 0.000 0.000 0.000) 0.000 9.538 ( 0.000 0.000 0.000) 0.000 9.593 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 0.000) 0.000 9.676 ( 0.000 0.000 0.000) 0.000 9.778 ( 0.000 0.000 0.000) 0.000 10.021 ( 0.000 0.000 0.000) 0.000 10.021 ( 0.000 0.000 0.000) 0.000 10.143 ( 0.000 0.000 0.000) 0.000 10.370 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.404 ( 0.000 0.000 0.000) 0.000 10.511 ( 0.000 0.000 0.000) 0.000 10.523 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( 16.741 0.000 0.000) 16.741 0.427 ( 20.442 0.000 0.000) 20.442 0.701 ( 30.972 0.000 0.000) 30.972 1.134 ( -2.576 0.000 0.000) 2.576 1.201 ( 1.606 0.000 0.000) 1.606 1.349 ( -8.348 0.000 0.000) 8.348 1.492 ( -1.828 0.000 0.000) 1.828 1.574 ( 1.378 0.000 0.000) 1.378 1.604 ( -2.524 0.000 0.000) 2.524 1.632 ( 1.170 0.000 0.000) 1.170 1.691 ( 1.171 0.000 0.000) 1.171 1.785 ( -6.016 0.000 0.000) 6.016 1.810 ( 1.996 0.000 0.000) 1.996 1.889 ( 3.663 0.000 0.000) 3.663 1.912 ( -2.338 0.000 0.000) 2.338 1.954 ( 3.825 0.000 0.000) 3.825 1.966 ( -3.421 0.000 0.000) 3.421 2.128 ( -6.118 0.000 0.000) 6.118 2.167 ( -3.850 0.000 0.000) 3.850 2.238 ( 0.928 0.000 0.000) 0.928 2.270 ( -1.898 0.000 0.000) 1.898 2.325 ( -0.869 0.000 0.000) 0.869 2.350 ( 2.010 0.000 0.000) 2.010 2.520 ( 2.141 0.000 0.000) 2.141 2.606 ( 0.131 0.000 0.000) 0.131 2.643 ( -0.046 0.000 0.000) 0.046 2.675 ( 3.496 0.000 0.000) 3.496 2.755 ( 1.331 0.000 0.000) 1.331 2.800 ( 5.744 0.000 0.000) 5.744 2.887 ( -1.414 0.000 0.000) 1.414 2.924 ( 0.403 0.000 0.000) 0.403 3.003 ( 1.844 0.000 0.000) 1.844 3.235 ( 1.514 0.000 0.000) 1.514 3.295 ( -1.256 0.000 0.000) 1.256 3.356 ( 3.841 0.000 0.000) 3.841 3.378 ( 0.086 0.000 0.000) 0.086 3.495 ( -1.570 0.000 0.000) 1.570 3.606 ( -1.054 0.000 0.000) 1.054 3.936 ( -8.712 0.000 0.000) 8.712 4.251 ( -0.771 0.000 0.000) 0.771 4.270 ( 0.514 0.000 0.000) 0.514 4.328 ( 1.483 0.000 0.000) 1.483 4.408 ( -0.300 0.000 0.000) 0.300 4.550 ( 3.199 0.000 0.000) 3.199 4.868 ( 0.703 0.000 0.000) 0.703 5.013 ( -1.245 0.000 0.000) 1.245 5.055 ( -1.519 0.000 0.000) 1.519 5.096 ( -1.364 0.000 0.000) 1.364 6.835 ( -1.850 0.000 0.000) 1.850 6.917 ( 2.037 0.000 0.000) 2.037 6.934 ( -1.499 0.000 0.000) 1.499 6.989 ( -0.513 0.000 0.000) 0.513 7.418 ( -0.709 0.000 0.000) 0.709 7.554 ( -1.512 0.000 0.000) 1.512 7.678 ( -0.808 0.000 0.000) 0.808 7.714 ( -0.370 0.000 0.000) 0.370 8.054 ( 0.594 0.000 0.000) 0.594 8.078 ( 1.220 0.000 0.000) 1.220 8.079 ( 1.392 0.000 0.000) 1.392 8.266 ( 1.105 0.000 0.000) 1.105 8.269 ( 2.848 0.000 0.000) 2.848 8.309 ( -0.614 0.000 0.000) 0.614 8.450 ( 0.298 0.000 0.000) 0.298 8.536 ( -2.741 0.000 0.000) 2.741 8.847 ( 0.828 0.000 0.000) 0.828 8.938 ( 0.455 0.000 0.000) 0.455 9.017 ( 2.686 0.000 0.000) 2.686 9.033 ( 3.725 0.000 0.000) 3.725 9.243 ( -2.637 0.000 0.000) 2.637 9.355 ( 0.839 0.000 0.000) 0.839 9.530 ( 1.208 0.000 0.000) 1.208 9.560 ( 2.097 0.000 0.000) 2.097 9.616 ( -2.965 0.000 0.000) 2.965 9.618 ( -1.677 0.000 0.000) 1.677 9.728 ( 4.035 0.000 0.000) 4.035 9.779 ( -0.483 0.000 0.000) 0.483 9.968 ( -4.469 0.000 0.000) 4.469 10.014 ( -1.724 0.000 0.000) 1.724 10.084 ( -4.655 0.000 0.000) 4.655 10.342 ( -3.878 0.000 0.000) 3.878 10.383 ( -1.725 0.000 0.000) 1.725 10.417 ( 1.275 0.000 0.000) 1.275 10.506 ( -0.237 0.000 0.000) 0.237 10.536 ( 1.030 0.000 0.000) 1.030 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 14.962 0.000 0.000) 14.962 0.809 ( 17.607 0.000 0.000) 17.607 1.045 ( 0.894 0.000 0.000) 0.894 1.124 ( 0.277 0.000 0.000) 0.277 1.236 ( 1.137 0.000 0.000) 1.137 1.237 ( -0.663 0.000 0.000) 0.663 1.476 ( -8.444 0.000 0.000) 8.444 1.494 ( 3.790 0.000 0.000) 3.790 1.620 ( 2.445 0.000 0.000) 2.445 1.650 ( -0.461 0.000 0.000) 0.461 1.698 ( -3.021 0.000 0.000) 3.021 1.709 ( 0.766 0.000 0.000) 0.766 1.846 ( -5.574 0.000 0.000) 5.574 1.877 ( -1.267 0.000 0.000) 1.267 1.894 ( 6.131 0.000 0.000) 6.131 1.938 ( -0.667 0.000 0.000) 0.667 2.014 ( 2.527 0.000 0.000) 2.527 2.060 ( -1.512 0.000 0.000) 1.512 2.099 ( -0.742 0.000 0.000) 0.742 2.220 ( -2.506 0.000 0.000) 2.506 2.263 ( 0.507 0.000 0.000) 0.507 2.274 ( -2.316 0.000 0.000) 2.316 2.377 ( 0.543 0.000 0.000) 0.543 2.577 ( 3.558 0.000 0.000) 3.558 2.599 ( -1.607 0.000 0.000) 1.607 2.639 ( -0.433 0.000 0.000) 0.433 2.776 ( 5.361 0.000 0.000) 5.361 2.798 ( 3.606 0.000 0.000) 3.606 2.860 ( -1.012 0.000 0.000) 1.012 2.883 ( 1.827 0.000 0.000) 1.827 2.935 ( 0.600 0.000 0.000) 0.600 3.036 ( 0.887 0.000 0.000) 0.887 3.267 ( -1.067 0.000 0.000) 1.067 3.310 ( 6.079 0.000 0.000) 6.079 3.383 ( 0.616 0.000 0.000) 0.616 3.434 ( 1.513 0.000 0.000) 1.513 3.457 ( -0.143 0.000 0.000) 0.143 3.577 ( -1.636 0.000 0.000) 1.636 3.764 ( -7.846 0.000 0.000) 7.846 4.157 ( -7.772 0.000 0.000) 7.772 4.292 ( 1.824 0.000 0.000) 1.824 4.370 ( 2.752 0.000 0.000) 2.752 4.425 ( 1.047 0.000 0.000) 1.047 4.609 ( 2.089 0.000 0.000) 2.089 4.888 ( 1.341 0.000 0.000) 1.341 4.982 ( -1.747 0.000 0.000) 1.747 5.016 ( -2.169 0.000 0.000) 2.169 5.058 ( -2.332 0.000 0.000) 2.332 6.800 ( -1.540 0.000 0.000) 1.540 6.882 ( -3.290 0.000 0.000) 3.290 6.956 ( 1.727 0.000 0.000) 1.727 6.987 ( 0.239 0.000 0.000) 0.239 7.410 ( 0.029 0.000 0.000) 0.029 7.516 ( -2.054 0.000 0.000) 2.054 7.662 ( -0.600 0.000 0.000) 0.600 7.703 ( -0.745 0.000 0.000) 0.745 8.074 ( 1.354 0.000 0.000) 1.354 8.109 ( 1.734 0.000 0.000) 1.734 8.112 ( 1.755 0.000 0.000) 1.755 8.274 ( -2.577 0.000 0.000) 2.577 8.297 ( 2.029 0.000 0.000) 2.029 8.334 ( 2.953 0.000 0.000) 2.953 8.461 ( 0.345 0.000 0.000) 0.345 8.481 ( -2.469 0.000 0.000) 2.469 8.866 ( 1.113 0.000 0.000) 1.113 8.945 ( 0.122 0.000 0.000) 0.122 9.109 ( 6.499 0.000 0.000) 6.499 9.120 ( 4.725 0.000 0.000) 4.725 9.209 ( -0.072 0.000 0.000) 0.072 9.390 ( 2.647 0.000 0.000) 2.647 9.518 ( -1.971 0.000 0.000) 1.971 9.547 ( -3.789 0.000 0.000) 3.789 9.596 ( -0.015 0.000 0.000) 0.015 9.628 ( 3.892 0.000 0.000) 3.892 9.744 ( -2.917 0.000 0.000) 2.917 9.820 ( 4.832 0.000 0.000) 4.832 9.837 ( -8.236 0.000 0.000) 8.236 9.943 ( -5.884 0.000 0.000) 5.884 10.016 ( -1.542 0.000 0.000) 1.542 10.223 ( -7.734 0.000 0.000) 7.734 10.349 ( -1.464 0.000 0.000) 1.464 10.417 ( -1.287 0.000 0.000) 1.287 10.517 ( 1.266 0.000 0.000) 1.266 10.555 ( 0.707 0.000 0.000) 0.707 ======================= Grid point 3 (4/60) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( 8.670 0.000 0.000) 8.670 1.037 ( -0.349 0.000 0.000) 0.349 1.064 ( -3.119 0.000 0.000) 3.119 1.116 ( 12.583 0.000 0.000) 12.583 1.175 ( -6.533 0.000 0.000) 6.533 1.246 ( 1.022 0.000 0.000) 1.022 1.430 ( 4.861 0.000 0.000) 4.861 1.553 ( -5.885 0.000 0.000) 5.885 1.574 ( 1.172 0.000 0.000) 1.172 1.616 ( -1.041 0.000 0.000) 1.041 1.694 ( 0.289 0.000 0.000) 0.289 1.734 ( -0.106 0.000 0.000) 0.106 1.771 ( -1.383 0.000 0.000) 1.383 1.847 ( -5.520 0.000 0.000) 5.520 1.891 ( 1.839 0.000 0.000) 1.839 1.950 ( -0.016 0.000 0.000) 0.016 2.038 ( -1.221 0.000 0.000) 1.221 2.044 ( -0.258 0.000 0.000) 0.258 2.139 ( -0.170 0.000 0.000) 0.170 2.174 ( -2.446 0.000 0.000) 2.446 2.219 ( 0.553 0.000 0.000) 0.553 2.345 ( -3.943 0.000 0.000) 3.943 2.404 ( 12.141 0.000 0.000) 12.141 2.572 ( -0.150 0.000 0.000) 0.150 2.624 ( -0.878 0.000 0.000) 0.878 2.672 ( 5.985 0.000 0.000) 5.985 2.795 ( -5.467 0.000 0.000) 5.467 2.858 ( 4.177 0.000 0.000) 4.177 2.885 ( -2.128 0.000 0.000) 2.128 2.895 ( 4.312 0.000 0.000) 4.312 2.953 ( 0.851 0.000 0.000) 0.851 3.020 ( -2.410 0.000 0.000) 2.410 3.268 ( 1.271 0.000 0.000) 1.271 3.380 ( -3.520 0.000 0.000) 3.520 3.405 ( 1.545 0.000 0.000) 1.545 3.459 ( 6.816 0.000 0.000) 6.816 3.495 ( 0.307 0.000 0.000) 0.307 3.578 ( 3.801 0.000 0.000) 3.801 3.641 ( -4.502 0.000 0.000) 4.502 3.967 ( -10.852 0.000 0.000) 10.852 4.341 ( 2.973 0.000 0.000) 2.973 4.431 ( -0.616 0.000 0.000) 0.616 4.439 ( 4.275 0.000 0.000) 4.275 4.612 ( -2.142 0.000 0.000) 2.142 4.919 ( 1.618 0.000 0.000) 1.618 4.954 ( -0.586 0.000 0.000) 0.586 4.979 ( -1.535 0.000 0.000) 1.535 5.008 ( -2.497 0.000 0.000) 2.497 6.778 ( -0.601 0.000 0.000) 0.601 6.819 ( -2.734 0.000 0.000) 2.734 6.983 ( 0.960 0.000 0.000) 0.960 6.993 ( 0.247 0.000 0.000) 0.247 7.420 ( 0.850 0.000 0.000) 0.850 7.477 ( -1.887 0.000 0.000) 1.887 7.659 ( 0.264 0.000 0.000) 0.264 7.686 ( -0.868 0.000 0.000) 0.868 8.108 ( 2.002 0.000 0.000) 2.002 8.139 ( 1.163 0.000 0.000) 1.163 8.143 ( 1.194 0.000 0.000) 1.194 8.215 ( -3.040 0.000 0.000) 3.040 8.344 ( 2.532 0.000 0.000) 2.532 8.380 ( 1.607 0.000 0.000) 1.607 8.443 ( -1.356 0.000 0.000) 1.356 8.451 ( -1.318 0.000 0.000) 1.318 8.892 ( 1.382 0.000 0.000) 1.382 8.939 ( -0.723 0.000 0.000) 0.723 9.214 ( 4.610 0.000 0.000) 4.610 9.249 ( 4.495 0.000 0.000) 4.495 9.254 ( 6.179 0.000 0.000) 6.179 9.461 ( 1.623 0.000 0.000) 1.623 9.462 ( -4.863 0.000 0.000) 4.863 9.476 ( 2.058 0.000 0.000) 2.058 9.613 ( 1.261 0.000 0.000) 1.261 9.662 ( -8.271 0.000 0.000) 8.271 9.683 ( -3.278 0.000 0.000) 3.278 9.718 ( 5.484 0.000 0.000) 5.484 9.797 ( -8.418 0.000 0.000) 8.418 9.909 ( 3.956 0.000 0.000) 3.956 9.992 ( -1.944 0.000 0.000) 1.944 10.050 ( -8.626 0.000 0.000) 8.626 10.332 ( -0.111 0.000 0.000) 0.111 10.381 ( -2.029 0.000 0.000) 2.029 10.542 ( 1.071 0.000 0.000) 1.071 10.562 ( 0.072 0.000 0.000) 0.072 ======================= Grid point 4 (5/60) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( -3.124 0.000 0.000) 3.124 0.997 ( 3.124 0.000 0.000) 3.124 1.068 ( -3.015 0.000 0.000) 3.015 1.068 ( 3.015 0.000 0.000) 3.015 1.269 ( -1.021 0.000 0.000) 1.021 1.269 ( 1.021 0.000 0.000) 1.021 1.497 ( -3.756 0.000 0.000) 3.756 1.497 ( 3.756 0.000 0.000) 3.756 1.607 ( -8.691 0.000 0.000) 8.691 1.607 ( 8.691 0.000 0.000) 8.691 1.668 ( -1.973 0.000 0.000) 1.973 1.668 ( 1.973 0.000 0.000) 1.973 1.788 ( -1.983 0.000 0.000) 1.983 1.788 ( 1.983 0.000 0.000) 1.983 1.932 ( -1.919 0.000 0.000) 1.919 1.932 ( 1.919 0.000 0.000) 1.919 2.042 ( -0.770 0.000 0.000) 0.770 2.042 ( 0.770 0.000 0.000) 0.770 2.119 ( -1.526 0.000 0.000) 1.526 2.119 ( 1.526 0.000 0.000) 1.526 2.264 ( -3.173 0.000 0.000) 3.173 2.264 ( 3.173 0.000 0.000) 3.173 2.582 ( -0.422 0.000 0.000) 0.422 2.582 ( 0.422 0.000 0.000) 0.422 2.652 ( -7.841 0.000 0.000) 7.841 2.652 ( 7.841 0.000 0.000) 7.841 2.801 ( -6.063 0.000 0.000) 6.063 2.801 ( 6.063 0.000 0.000) 6.063 2.941 ( -3.084 0.000 0.000) 3.084 2.941 ( 3.084 0.000 0.000) 3.084 2.957 ( -2.699 0.000 0.000) 2.699 2.957 ( 2.699 0.000 0.000) 2.699 3.313 ( -3.022 0.000 0.000) 3.022 3.313 ( 3.022 0.000 0.000) 3.022 3.445 ( -2.399 0.000 0.000) 2.399 3.445 ( 2.399 0.000 0.000) 2.399 3.572 ( -3.160 0.000 0.000) 3.160 3.572 ( 3.160 0.000 0.000) 3.160 3.742 ( -11.120 0.000 0.000) 11.120 3.742 ( 11.120 0.000 0.000) 11.120 4.399 ( -2.475 0.000 0.000) 2.475 4.399 ( 2.475 0.000 0.000) 2.475 4.535 ( -4.916 0.000 0.000) 4.916 4.535 ( 4.916 0.000 0.000) 4.916 4.950 ( -1.435 0.000 0.000) 1.435 4.950 ( 1.435 0.000 0.000) 1.435 4.966 ( -1.532 0.000 0.000) 1.532 4.966 ( 1.532 0.000 0.000) 1.532 6.781 ( -1.028 0.000 0.000) 1.028 6.781 ( 1.028 0.000 0.000) 1.028 6.994 ( -0.192 0.000 0.000) 0.192 6.994 ( 0.192 0.000 0.000) 0.192 7.443 ( -1.459 0.000 0.000) 1.459 7.443 ( 1.459 0.000 0.000) 1.459 7.670 ( -0.755 0.000 0.000) 0.755 7.670 ( 0.755 0.000 0.000) 0.755 8.147 ( -1.007 0.000 0.000) 1.007 8.147 ( 1.007 0.000 0.000) 1.007 8.162 ( -1.651 0.000 0.000) 1.651 8.162 ( 1.651 0.000 0.000) 1.651 8.388 ( -1.329 0.000 0.000) 1.329 8.388 ( 1.329 0.000 0.000) 1.329 8.428 ( -0.105 0.000 0.000) 0.105 8.428 ( 0.105 0.000 0.000) 0.105 8.919 ( -1.230 0.000 0.000) 1.230 8.919 ( 1.230 0.000 0.000) 1.230 9.293 ( -2.552 0.000 0.000) 2.552 9.293 ( 2.552 0.000 0.000) 2.552 9.353 ( -5.785 0.000 0.000) 5.785 9.353 ( 5.785 0.000 0.000) 5.785 9.510 ( -6.200 0.000 0.000) 6.200 9.510 ( 6.200 0.000 0.000) 6.200 9.615 ( -7.957 0.000 0.000) 7.957 9.615 ( 7.957 0.000 0.000) 7.957 9.643 ( -2.470 0.000 0.000) 2.470 9.643 ( 2.470 0.000 0.000) 2.470 9.855 ( -8.254 0.000 0.000) 8.254 9.855 ( 8.254 0.000 0.000) 8.254 9.972 ( -2.402 0.000 0.000) 2.402 9.972 ( 2.402 0.000 0.000) 2.402 10.345 ( -1.368 0.000 0.000) 1.368 10.345 ( 1.368 0.000 0.000) 1.368 10.558 ( -0.515 0.000 0.000) 0.515 10.558 ( 0.515 0.000 0.000) 0.515 ======================= Grid point 9 (6/60) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.361 ( 0.000 16.744 0.000) 16.744 0.457 ( 0.000 20.910 0.000) 20.910 0.559 ( 0.000 25.048 0.000) 25.048 1.172 ( 0.000 -0.502 0.000) 0.502 1.184 ( 0.000 1.374 0.000) 1.374 1.435 ( 0.000 -6.796 0.000) 6.796 1.497 ( 0.000 0.827 0.000) 0.827 1.549 ( 0.000 0.846 0.000) 0.846 1.584 ( 0.000 -1.167 0.000) 1.167 1.626 ( 0.000 1.233 0.000) 1.233 1.687 ( 0.000 -0.769 0.000) 0.769 1.782 ( 0.000 0.150 0.000) 0.150 1.806 ( 0.000 -3.268 0.000) 3.268 1.851 ( 0.000 -2.257 0.000) 2.257 1.931 ( 0.000 1.774 0.000) 1.774 1.987 ( 0.000 1.289 0.000) 1.289 1.996 ( 0.000 0.219 0.000) 0.219 2.117 ( 0.000 -1.079 0.000) 1.079 2.250 ( 0.000 -1.441 0.000) 1.441 2.252 ( 0.000 -1.801 0.000) 1.801 2.258 ( 0.000 0.521 0.000) 0.521 2.303 ( 0.000 0.852 0.000) 0.852 2.357 ( 0.000 2.746 0.000) 2.746 2.514 ( 0.000 1.347 0.000) 1.347 2.582 ( 0.000 -1.744 0.000) 1.744 2.595 ( 0.000 -1.833 0.000) 1.833 2.645 ( 0.000 0.404 0.000) 0.404 2.749 ( 0.000 0.795 0.000) 0.795 2.775 ( 0.000 2.647 0.000) 2.647 2.889 ( 0.000 -2.621 0.000) 2.621 2.952 ( 0.000 2.457 0.000) 2.457 2.964 ( 0.000 -1.224 0.000) 1.224 3.188 ( 0.000 -3.449 0.000) 3.449 3.277 ( 0.000 -2.122 0.000) 2.122 3.308 ( 0.000 -0.023 0.000) 0.023 3.365 ( 0.000 -2.047 0.000) 2.047 3.520 ( 0.000 0.674 0.000) 0.674 3.611 ( 0.000 -0.307 0.000) 0.307 4.093 ( 0.000 1.991 0.000) 1.991 4.118 ( 0.000 -5.196 0.000) 5.196 4.242 ( 0.000 -1.164 0.000) 1.164 4.410 ( 0.000 2.785 0.000) 2.785 4.452 ( 0.000 4.895 0.000) 4.895 4.588 ( 0.000 4.092 0.000) 4.092 4.888 ( 0.000 2.359 0.000) 2.359 5.008 ( 0.000 -2.187 0.000) 2.187 5.034 ( 0.000 -2.828 0.000) 2.828 5.101 ( 0.000 -0.687 0.000) 0.687 6.807 ( 0.000 0.297 0.000) 0.297 6.883 ( 0.000 1.550 0.000) 1.550 6.895 ( 0.000 -1.469 0.000) 1.469 7.007 ( 0.000 0.526 0.000) 0.526 7.435 ( 0.000 0.623 0.000) 0.623 7.603 ( 0.000 -2.695 0.000) 2.695 7.660 ( 0.000 -0.138 0.000) 0.138 7.714 ( 0.000 -0.447 0.000) 0.447 8.062 ( 0.000 -0.151 0.000) 0.151 8.071 ( 0.000 0.497 0.000) 0.497 8.137 ( 0.000 0.917 0.000) 0.917 8.239 ( 0.000 0.290 0.000) 0.290 8.240 ( 0.000 -1.111 0.000) 1.111 8.289 ( 0.000 1.557 0.000) 1.557 8.329 ( 0.000 -0.456 0.000) 0.456 8.538 ( 0.000 -2.644 0.000) 2.644 8.843 ( 0.000 0.471 0.000) 0.471 8.884 ( 0.000 0.545 0.000) 0.545 8.937 ( 0.000 0.744 0.000) 0.744 9.155 ( 0.000 -1.816 0.000) 1.816 9.285 ( 0.000 0.773 0.000) 0.773 9.363 ( 0.000 0.940 0.000) 0.940 9.430 ( 0.000 -0.114 0.000) 0.114 9.522 ( 0.000 -1.347 0.000) 1.347 9.552 ( 0.000 -3.219 0.000) 3.219 9.616 ( 0.000 -2.034 0.000) 2.034 9.719 ( 0.000 2.732 0.000) 2.732 9.802 ( 0.000 1.792 0.000) 1.792 10.019 ( 0.000 -0.232 0.000) 0.232 10.055 ( 0.000 1.221 0.000) 1.221 10.199 ( 0.000 -0.632 0.000) 0.632 10.351 ( 0.000 -1.726 0.000) 1.726 10.411 ( 0.000 1.415 0.000) 1.415 10.429 ( 0.000 1.632 0.000) 1.632 10.483 ( 0.000 -1.430 0.000) 1.430 10.547 ( 0.000 0.947 0.000) 0.947 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.12 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 10.131 8.553 0.000) 13.259 0.611 ( 13.004 14.275 0.000) 19.310 0.908 ( 20.934 14.567 0.000) 25.503 1.145 ( -2.202 0.781 0.000) 2.336 1.192 ( 1.455 -0.043 0.000) 1.456 1.333 ( -6.540 -2.073 0.000) 6.861 1.481 ( -2.483 -0.746 0.000) 2.593 1.560 ( 1.118 -1.343 0.000) 1.747 1.583 ( 0.998 -1.872 0.000) 2.121 1.638 ( 0.150 2.280 0.000) 2.285 1.704 ( 1.004 -0.532 0.000) 1.137 1.790 ( -4.596 -0.626 0.000) 4.639 1.811 ( 2.763 0.042 0.000) 2.763 1.868 ( -2.596 -2.193 0.000) 3.398 1.901 ( 3.832 0.498 0.000) 3.865 1.949 ( -3.065 0.520 0.000) 3.109 2.020 ( 0.495 1.770 0.000) 1.838 2.115 ( -3.646 -0.724 0.000) 3.717 2.182 ( 0.563 -0.379 0.000) 0.679 2.224 ( -3.918 1.027 0.000) 4.050 2.254 ( -0.126 -0.380 0.000) 0.401 2.331 ( 0.703 0.880 0.000) 1.126 2.377 ( 1.595 1.480 0.000) 2.176 2.533 ( 1.947 1.101 0.000) 2.237 2.595 ( 1.192 -1.102 0.000) 1.623 2.611 ( 0.993 -2.371 0.000) 2.571 2.657 ( 0.831 -0.496 0.000) 0.968 2.740 ( 0.379 -0.440 0.000) 0.581 2.834 ( 3.321 1.092 0.000) 3.496 2.898 ( 0.742 -1.826 0.000) 1.972 2.921 ( -0.675 1.128 0.000) 1.315 3.001 ( 1.918 0.480 0.000) 1.978 3.203 ( 2.283 -2.577 0.000) 3.443 3.273 ( -0.824 -1.762 0.000) 1.945 3.345 ( 3.098 -1.023 0.000) 3.263 3.367 ( 0.688 -0.979 0.000) 1.197 3.503 ( -1.664 0.620 0.000) 1.776 3.600 ( -1.201 -0.640 0.000) 1.361 3.958 ( -8.352 1.299 0.000) 8.452 4.141 ( -1.012 -4.493 0.000) 4.605 4.285 ( 3.330 -0.441 0.000) 3.359 4.412 ( -2.318 1.509 0.000) 2.766 4.441 ( 1.106 6.106 0.000) 6.205 4.598 ( 1.312 3.568 0.000) 3.802 4.893 ( 0.558 2.222 0.000) 2.291 4.994 ( -1.112 -1.786 0.000) 2.103 5.021 ( -1.227 -2.588 0.000) 2.864 5.094 ( -0.986 -0.628 0.000) 1.169 6.820 ( -0.555 -0.852 0.000) 1.017 6.893 ( -0.113 -2.023 0.000) 2.026 6.915 ( 2.176 0.343 0.000) 2.202 6.995 ( -1.021 0.461 0.000) 1.120 7.426 ( -0.653 0.699 0.000) 0.957 7.595 ( -2.127 1.829 0.000) 2.805 7.627 ( -0.570 -3.183 0.000) 3.233 7.710 ( -0.500 -0.532 0.000) 0.730 8.064 ( 0.156 0.095 0.000) 0.183 8.084 ( 1.165 0.295 0.000) 1.202 8.103 ( -0.186 2.249 0.000) 2.257 8.255 ( 1.708 -0.937 0.000) 1.949 8.260 ( 2.281 -0.704 0.000) 2.387 8.303 ( -1.432 -0.655 0.000) 1.574 8.406 ( 4.141 -1.726 0.000) 4.486 8.519 ( -1.708 -1.507 0.000) 2.277 8.851 ( 0.832 0.387 0.000) 0.917 8.917 ( 1.900 -0.822 0.000) 2.070 8.980 ( 4.155 0.303 0.000) 4.166 9.129 ( -0.523 2.305 0.000) 2.364 9.252 ( -2.063 0.853 0.000) 2.232 9.356 ( 0.051 0.227 0.000) 0.233 9.482 ( 2.538 -3.282 0.000) 4.149 9.537 ( -1.103 -3.563 0.000) 3.730 9.552 ( 2.062 -1.187 0.000) 2.379 9.610 ( -0.548 -0.907 0.000) 1.060 9.744 ( 2.398 1.628 0.000) 2.898 9.803 ( -0.321 1.820 0.000) 1.848 9.982 ( -3.953 0.566 0.000) 3.993 10.023 ( -2.571 0.434 0.000) 2.607 10.115 ( -6.041 1.550 0.000) 6.236 10.318 ( -3.496 -1.812 0.000) 3.938 10.400 ( -2.359 1.025 0.000) 2.572 10.422 ( 0.308 0.336 0.000) 0.456 10.495 ( 1.076 -0.200 0.000) 1.094 10.553 ( 0.552 0.901 0.000) 1.057 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.656 ( 14.363 1.644 0.000) 14.457 0.887 ( 13.103 6.648 0.000) 14.693 1.072 ( 0.040 1.934 0.000) 1.934 1.157 ( -2.521 1.963 0.000) 3.195 1.243 ( 4.715 1.997 0.000) 5.120 1.264 ( -0.908 1.505 0.000) 1.758 1.468 ( 0.716 0.039 0.000) 0.717 1.521 ( -5.106 2.027 0.000) 5.493 1.608 ( 1.198 -2.321 0.000) 2.612 1.634 ( -1.214 -1.028 0.000) 1.591 1.690 ( -0.658 0.261 0.000) 0.708 1.726 ( -0.500 0.992 0.000) 1.111 1.798 ( -4.834 -4.056 0.000) 6.310 1.850 ( -1.977 -1.068 0.000) 2.247 1.933 ( 3.878 2.278 0.000) 4.498 1.985 ( 3.530 2.703 0.000) 4.446 2.027 ( 1.607 0.860 0.000) 1.823 2.076 ( -0.607 1.259 0.000) 1.398 2.137 ( -2.010 3.474 0.000) 4.014 2.200 ( 0.610 -0.717 0.000) 0.941 2.257 ( 0.156 0.369 0.000) 0.401 2.299 ( -2.404 2.060 0.000) 3.166 2.414 ( 0.899 2.794 0.000) 2.935 2.582 ( 1.243 -0.002 0.000) 1.243 2.597 ( 0.143 -0.030 0.000) 0.146 2.619 ( -0.149 -1.776 0.000) 1.783 2.713 ( 4.945 -4.204 0.000) 6.490 2.763 ( 2.123 -1.774 0.000) 2.767 2.861 ( -0.835 -0.415 0.000) 0.932 2.919 ( 1.295 0.640 0.000) 1.445 2.940 ( 1.929 0.283 0.000) 1.949 3.022 ( -0.260 -1.051 0.000) 1.082 3.254 ( -0.129 -0.998 0.000) 1.006 3.298 ( 6.558 -0.732 0.000) 6.598 3.371 ( 0.825 -1.192 0.000) 1.450 3.422 ( 1.451 -0.688 0.000) 1.605 3.467 ( -0.134 0.820 0.000) 0.831 3.566 ( -1.956 -1.134 0.000) 2.261 3.799 ( -7.098 2.750 0.000) 7.612 4.087 ( -4.745 -4.468 0.000) 6.518 4.348 ( 2.317 1.247 0.000) 2.631 4.361 ( -0.960 1.566 0.000) 1.837 4.464 ( 0.588 3.217 0.000) 3.270 4.625 ( 0.728 1.276 0.000) 1.469 4.910 ( 1.068 1.812 0.000) 2.103 4.969 ( -1.276 -1.121 0.000) 1.698 4.992 ( -1.449 -1.712 0.000) 2.243 5.063 ( -2.054 -0.034 0.000) 2.054 6.798 ( -1.284 -0.169 0.000) 1.295 6.867 ( -2.345 -1.258 0.000) 2.661 6.953 ( 1.489 -0.253 0.000) 1.510 6.980 ( -0.368 -0.358 0.000) 0.513 7.419 ( 0.066 0.821 0.000) 0.824 7.542 ( -2.594 1.986 0.000) 3.267 7.629 ( 0.302 -2.649 0.000) 2.666 7.697 ( -0.773 -0.576 0.000) 0.964 8.075 ( 1.001 0.063 0.000) 1.003 8.111 ( 1.453 -0.121 0.000) 1.458 8.121 ( 1.373 1.037 0.000) 1.721 8.258 ( -2.651 -1.353 0.000) 2.977 8.292 ( 2.138 -0.427 0.000) 2.181 8.322 ( 3.188 -0.948 0.000) 3.326 8.452 ( 0.779 -0.561 0.000) 0.960 8.480 ( -1.893 -0.178 0.000) 1.901 8.873 ( 1.261 0.565 0.000) 1.382 8.940 ( 0.459 -0.457 0.000) 0.648 9.085 ( 5.893 -0.346 0.000) 5.903 9.159 ( 3.339 1.661 0.000) 3.729 9.235 ( 0.903 2.087 0.000) 2.273 9.377 ( 2.070 -1.166 0.000) 2.376 9.484 ( -2.416 -2.791 0.000) 3.691 9.515 ( -0.692 -3.153 0.000) 3.228 9.585 ( 1.265 -0.537 0.000) 1.374 9.629 ( 2.510 0.518 0.000) 2.563 9.757 ( -2.705 1.069 0.000) 2.909 9.810 ( 0.720 0.390 0.000) 0.819 9.866 ( -5.389 1.332 0.000) 5.551 9.965 ( -4.714 1.445 0.000) 4.931 10.009 ( -3.068 -0.348 0.000) 3.087 10.208 ( -7.452 -1.436 0.000) 7.589 10.357 ( -1.718 0.628 0.000) 1.829 10.409 ( -1.432 -0.681 0.000) 1.585 10.523 ( 1.489 0.618 0.000) 1.612 10.564 ( 0.432 0.641 0.000) 0.773 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.38 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.904 ( 9.630 1.272 0.000) 9.714 1.038 ( 2.600 0.294 0.000) 2.617 1.099 ( -0.748 4.572 0.000) 4.633 1.176 ( 5.660 2.760 0.000) 6.297 1.227 ( -2.985 4.538 0.000) 5.431 1.265 ( -0.519 1.930 0.000) 1.998 1.429 ( 3.450 0.357 0.000) 3.469 1.520 ( -2.769 -2.752 0.000) 3.904 1.568 ( -2.284 -0.574 0.000) 2.355 1.619 ( 0.564 -0.287 0.000) 0.633 1.681 ( -0.765 -0.816 0.000) 1.118 1.701 ( -4.222 -3.418 0.000) 5.432 1.751 ( 1.216 -0.520 0.000) 1.322 1.834 ( -0.783 -0.677 0.000) 1.035 1.937 ( -1.627 2.493 0.000) 2.977 1.979 ( 0.303 2.120 0.000) 2.141 2.055 ( 0.326 1.143 0.000) 1.189 2.082 ( -1.955 2.571 0.000) 3.230 2.114 ( -0.505 -0.437 0.000) 0.667 2.204 ( -4.095 1.811 0.000) 4.478 2.241 ( 2.029 2.601 0.000) 3.299 2.362 ( -1.366 1.368 0.000) 1.933 2.436 ( 9.000 3.029 0.000) 9.496 2.564 ( 0.421 -0.571 0.000) 0.710 2.604 ( -1.105 -1.909 0.000) 2.206 2.681 ( 5.903 0.866 0.000) 5.966 2.777 ( -2.937 -1.758 0.000) 3.423 2.815 ( 2.648 -3.077 0.000) 4.060 2.836 ( 1.902 -2.332 0.000) 3.010 2.928 ( -1.043 0.179 0.000) 1.058 2.971 ( 0.792 0.971 0.000) 1.253 2.999 ( -1.300 -1.431 0.000) 1.934 3.267 ( 1.523 -0.017 0.000) 1.524 3.373 ( -3.027 -0.432 0.000) 3.058 3.388 ( 1.678 -1.477 0.000) 2.235 3.468 ( 7.143 0.979 0.000) 7.210 3.484 ( -0.811 -0.992 0.000) 1.281 3.568 ( 3.464 -0.508 0.000) 3.501 3.688 ( -3.749 3.438 0.000) 5.087 3.945 ( -9.181 -1.944 0.000) 9.384 4.358 ( 1.680 1.329 0.000) 2.142 4.415 ( 2.789 -0.467 0.000) 2.827 4.463 ( -0.002 1.392 0.000) 1.392 4.605 ( -2.894 -0.633 0.000) 2.963 4.932 ( 0.972 0.827 0.000) 1.276 4.955 ( 0.298 0.393 0.000) 0.494 4.968 ( -0.970 -0.678 0.000) 1.183 5.018 ( -2.255 0.570 0.000) 2.326 6.778 ( -0.536 0.031 0.000) 0.537 6.816 ( -2.409 -0.330 0.000) 2.431 6.974 ( 0.611 -0.827 0.000) 1.028 6.978 ( 0.105 -1.090 0.000) 1.095 7.429 ( 0.976 0.967 0.000) 1.374 7.495 ( -2.167 1.525 0.000) 2.650 7.640 ( 0.822 -1.550 0.000) 1.754 7.680 ( -0.932 -0.628 0.000) 1.124 8.102 ( 1.663 -0.340 0.000) 1.697 8.136 ( 0.900 -0.553 0.000) 1.057 8.145 ( 0.983 0.420 0.000) 1.069 8.204 ( -2.603 -0.923 0.000) 2.761 8.339 ( 2.380 -0.407 0.000) 2.415 8.374 ( 1.814 -0.554 0.000) 1.896 8.440 ( -1.233 -0.168 0.000) 1.245 8.455 ( -0.999 0.221 0.000) 1.023 8.898 ( 1.246 0.547 0.000) 1.361 8.938 ( -0.558 -0.059 0.000) 0.561 9.190 ( 4.595 -1.133 0.000) 4.733 9.250 ( 4.495 -0.440 0.000) 4.516 9.290 ( 4.181 2.610 0.000) 4.929 9.420 ( -0.863 -2.177 0.000) 2.342 9.445 ( 1.247 -1.337 0.000) 1.829 9.502 ( 0.948 0.397 0.000) 1.028 9.601 ( -0.916 -0.462 0.000) 1.026 9.677 ( -1.517 0.693 0.000) 1.668 9.692 ( -3.128 0.730 0.000) 3.212 9.712 ( -0.759 0.506 0.000) 0.912 9.822 ( -6.396 1.684 0.000) 6.614 9.907 ( 2.697 -0.093 0.000) 2.699 9.979 ( -1.538 -1.256 0.000) 1.985 10.037 ( -8.809 -1.167 0.000) 8.886 10.336 ( -0.298 0.339 0.000) 0.451 10.375 ( -1.778 -0.495 0.000) 1.846 10.548 ( 0.988 0.505 0.000) 1.109 10.568 ( -0.048 0.419 0.000) 0.421 ======================= Grid point 13 (10/60) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.043 ( -4.727 3.904 0.000) 6.131 1.043 ( 4.727 3.904 0.000) 6.131 1.099 ( -3.299 2.736 0.000) 4.286 1.099 ( 3.299 2.736 0.000) 4.286 1.285 ( -0.607 1.265 0.000) 1.403 1.285 ( 0.607 1.265 0.000) 1.403 1.494 ( -3.260 -0.635 0.000) 3.321 1.494 ( 3.260 -0.635 0.000) 3.321 1.572 ( -7.167 -2.317 0.000) 7.532 1.572 ( 7.167 -2.317 0.000) 7.532 1.658 ( -1.656 -0.949 0.000) 1.908 1.658 ( 1.656 -0.949 0.000) 1.908 1.787 ( -2.618 0.067 0.000) 2.619 1.787 ( 2.618 0.067 0.000) 2.619 1.959 ( -2.493 1.895 0.000) 3.131 1.959 ( 2.493 1.895 0.000) 3.131 2.068 ( -0.503 1.784 0.000) 1.853 2.068 ( 0.503 1.784 0.000) 1.853 2.121 ( -3.132 0.903 0.000) 3.260 2.121 ( 3.132 0.903 0.000) 3.260 2.290 ( -3.152 2.211 0.000) 3.850 2.290 ( 3.152 2.211 0.000) 3.850 2.568 ( -2.215 -1.410 0.000) 2.626 2.568 ( 2.215 -1.410 0.000) 2.626 2.655 ( -7.465 0.425 0.000) 7.477 2.655 ( 7.465 0.425 0.000) 7.477 2.802 ( -4.858 -0.102 0.000) 4.859 2.802 ( 4.858 -0.102 0.000) 4.859 2.893 ( -2.592 -3.390 0.000) 4.267 2.893 ( 2.592 -3.390 0.000) 4.267 2.977 ( -0.536 1.017 0.000) 1.150 2.977 ( 0.536 1.017 0.000) 1.150 3.312 ( -2.832 0.016 0.000) 2.832 3.312 ( 2.832 0.016 0.000) 2.832 3.431 ( -2.577 -1.284 0.000) 2.879 3.431 ( 2.577 -1.284 0.000) 2.879 3.587 ( -3.215 1.206 0.000) 3.434 3.587 ( 3.215 1.206 0.000) 3.434 3.747 ( -9.629 0.369 0.000) 9.636 3.747 ( 9.629 0.369 0.000) 9.636 4.405 ( -2.437 0.627 0.000) 2.517 4.405 ( 2.437 0.627 0.000) 2.517 4.523 ( -4.658 -1.012 0.000) 4.767 4.523 ( 4.658 -1.012 0.000) 4.767 4.950 ( -0.940 0.047 0.000) 0.941 4.950 ( 0.940 0.047 0.000) 0.941 4.978 ( -1.691 0.963 0.000) 1.946 4.978 ( 1.691 0.963 0.000) 1.946 6.781 ( -0.965 0.010 0.000) 0.965 6.781 ( 0.965 0.010 0.000) 0.965 6.980 ( -0.027 -1.200 0.000) 1.201 6.980 ( 0.027 -1.200 0.000) 1.201 7.456 ( -1.688 1.213 0.000) 2.078 7.456 ( 1.688 1.213 0.000) 2.078 7.660 ( -1.060 -0.900 0.000) 1.390 7.660 ( 1.060 -0.900 0.000) 1.390 8.135 ( -1.246 -0.813 0.000) 1.488 8.135 ( 1.246 -0.813 0.000) 1.488 8.164 ( -1.191 -0.026 0.000) 1.192 8.164 ( 1.191 -0.026 0.000) 1.192 8.380 ( -1.390 -0.677 0.000) 1.546 8.380 ( 1.390 -0.677 0.000) 1.546 8.434 ( -0.795 0.421 0.000) 0.900 8.434 ( 0.795 0.421 0.000) 0.900 8.921 ( -1.044 0.260 0.000) 1.076 8.921 ( 1.044 0.260 0.000) 1.076 9.269 ( -2.744 -1.885 0.000) 3.329 9.269 ( 2.744 -1.885 0.000) 3.329 9.371 ( -3.898 1.314 0.000) 4.113 9.371 ( 3.898 1.314 0.000) 4.113 9.499 ( -5.294 -0.900 0.000) 5.370 9.499 ( 5.294 -0.900 0.000) 5.370 9.622 ( -6.880 0.639 0.000) 6.909 9.622 ( 6.880 0.639 0.000) 6.909 9.661 ( -1.602 1.574 0.000) 2.246 9.661 ( 1.602 1.574 0.000) 2.246 9.853 ( -7.626 -0.184 0.000) 7.628 9.853 ( 7.626 -0.184 0.000) 7.628 9.958 ( -2.110 -1.315 0.000) 2.486 9.958 ( 2.110 -1.315 0.000) 2.486 10.345 ( -1.102 -0.042 0.000) 1.103 10.345 ( 1.102 -0.042 0.000) 1.103 10.562 ( -0.502 0.372 0.000) 0.625 10.562 ( 0.502 0.372 0.000) 0.625 ======================= Grid point 18 (11/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.699 ( 0.000 14.959 0.000) 14.959 0.865 ( 0.000 17.074 0.000) 17.074 1.011 ( 0.000 15.068 0.000) 15.068 1.193 ( 0.000 2.931 0.000) 2.931 1.199 ( 0.000 -1.067 0.000) 1.067 1.277 ( 0.000 -6.051 0.000) 6.051 1.497 ( 0.000 -0.827 0.000) 0.827 1.547 ( 0.000 -3.097 0.000) 3.097 1.552 ( 0.000 -0.290 0.000) 0.290 1.657 ( 0.000 -1.441 0.000) 1.441 1.690 ( 0.000 4.264 0.000) 4.264 1.694 ( 0.000 -5.716 0.000) 5.716 1.777 ( 0.000 -1.032 0.000) 1.032 1.815 ( 0.000 -1.170 0.000) 1.170 1.938 ( 0.000 -2.630 0.000) 2.630 1.966 ( 0.000 -3.407 0.000) 3.407 2.005 ( 0.000 2.249 0.000) 2.249 2.093 ( 0.000 -0.919 0.000) 0.919 2.223 ( 0.000 -0.961 0.000) 0.961 2.224 ( 0.000 -0.542 0.000) 0.542 2.319 ( 0.000 0.657 0.000) 0.657 2.325 ( 0.000 4.925 0.000) 4.925 2.370 ( 0.000 -1.174 0.000) 1.174 2.538 ( 0.000 -3.589 0.000) 3.589 2.549 ( 0.000 1.908 0.000) 1.908 2.625 ( 0.000 5.182 0.000) 5.182 2.638 ( 0.000 -1.337 0.000) 1.337 2.768 ( 0.000 0.789 0.000) 0.789 2.809 ( 0.000 0.712 0.000) 0.712 2.831 ( 0.000 -2.516 0.000) 2.516 2.943 ( 0.000 -0.167 0.000) 0.167 2.999 ( 0.000 0.760 0.000) 0.760 3.119 ( 0.000 -1.634 0.000) 1.634 3.221 ( 0.000 -3.204 0.000) 3.204 3.303 ( 0.000 -0.488 0.000) 0.488 3.317 ( 0.000 -2.015 0.000) 2.015 3.534 ( 0.000 0.641 0.000) 0.641 3.588 ( 0.000 -1.824 0.000) 1.824 4.048 ( 0.000 -1.230 0.000) 1.230 4.099 ( 0.000 -1.603 0.000) 1.603 4.269 ( 0.000 3.718 0.000) 3.718 4.411 ( 0.000 -1.350 0.000) 1.350 4.597 ( 0.000 6.756 0.000) 6.756 4.680 ( 0.000 3.820 0.000) 3.820 4.935 ( 0.000 -0.662 0.000) 0.662 4.961 ( 0.000 0.647 0.000) 0.647 4.966 ( 0.000 -3.327 0.000) 3.327 5.070 ( 0.000 -2.176 0.000) 2.176 6.817 ( 0.000 0.668 0.000) 0.668 6.863 ( 0.000 -1.437 0.000) 1.437 6.927 ( 0.000 2.409 0.000) 2.409 7.007 ( 0.000 -0.731 0.000) 0.731 7.454 ( 0.000 1.148 0.000) 1.148 7.539 ( 0.000 -2.962 0.000) 2.962 7.661 ( 0.000 0.369 0.000) 0.369 7.698 ( 0.000 -0.981 0.000) 0.981 8.062 ( 0.000 0.201 0.000) 0.201 8.076 ( 0.000 -0.086 0.000) 0.086 8.157 ( 0.000 0.868 0.000) 0.868 8.211 ( 0.000 -1.591 0.000) 1.591 8.254 ( 0.000 1.178 0.000) 1.178 8.311 ( 0.000 -0.887 0.000) 0.887 8.337 ( 0.000 2.530 0.000) 2.530 8.471 ( 0.000 -3.407 0.000) 3.407 8.856 ( 0.000 0.756 0.000) 0.756 8.886 ( 0.000 -0.354 0.000) 0.354 8.973 ( 0.000 2.595 0.000) 2.595 9.104 ( 0.000 -2.903 0.000) 2.903 9.310 ( 0.000 1.599 0.000) 1.599 9.390 ( 0.000 1.583 0.000) 1.583 9.409 ( 0.000 -2.123 0.000) 2.123 9.481 ( 0.000 -2.793 0.000) 2.793 9.504 ( 0.000 -0.005 0.000) 0.005 9.571 ( 0.000 -2.230 0.000) 2.230 9.778 ( 0.000 2.726 0.000) 2.726 9.834 ( 0.000 0.815 0.000) 0.815 10.017 ( 0.000 0.352 0.000) 0.352 10.070 ( 0.000 -0.440 0.000) 0.440 10.200 ( 0.000 1.243 0.000) 1.243 10.306 ( 0.000 -2.498 0.000) 2.498 10.434 ( 0.000 0.707 0.000) 0.707 10.459 ( 0.000 -0.853 0.000) 0.853 10.478 ( 0.000 2.721 0.000) 2.721 10.554 ( 0.000 -0.382 0.000) 0.382 ======================= Grid point 19 (12/60) ======================= q-point: ( 0.12 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.641 ( -0.324 13.371 0.000) 13.375 0.923 ( 5.395 13.086 0.000) 14.155 1.096 ( -2.517 -2.687 0.000) 3.682 1.185 ( 6.201 5.018 0.000) 7.977 1.236 ( 0.673 3.031 0.000) 3.105 1.295 ( 2.884 2.111 0.000) 3.574 1.466 ( -2.023 -0.799 0.000) 2.175 1.502 ( -0.919 -3.508 0.000) 3.626 1.576 ( 1.388 0.078 0.000) 1.390 1.668 ( -0.717 -2.852 0.000) 2.941 1.695 ( 1.896 1.382 0.000) 2.347 1.727 ( 0.302 -1.245 0.000) 1.281 1.823 ( 3.389 0.025 0.000) 3.389 1.828 ( -1.829 -1.728 0.000) 2.516 1.928 ( 1.092 1.521 0.000) 1.873 1.953 ( -0.846 -0.406 0.000) 0.939 2.027 ( -0.385 0.199 0.000) 0.434 2.096 ( 1.684 -1.075 0.000) 1.998 2.173 ( -1.646 -0.138 0.000) 1.652 2.236 ( -0.470 -0.979 0.000) 1.086 2.273 ( 1.716 1.708 0.000) 2.421 2.371 ( -0.569 -1.382 0.000) 1.495 2.387 ( 2.362 3.767 0.000) 4.446 2.551 ( 1.010 -1.227 0.000) 1.589 2.574 ( 1.876 0.292 0.000) 1.899 2.607 ( -1.419 2.456 0.000) 2.836 2.643 ( -0.362 -0.671 0.000) 0.762 2.737 ( -1.499 -0.212 0.000) 1.514 2.840 ( 1.474 -0.468 0.000) 1.546 2.854 ( 2.692 -1.743 0.000) 3.207 2.920 ( -1.503 0.098 0.000) 1.506 3.009 ( 0.002 -1.303 0.000) 1.303 3.163 ( 4.424 -0.164 0.000) 4.427 3.231 ( 0.804 -2.102 0.000) 2.251 3.316 ( 1.253 -1.177 0.000) 1.719 3.345 ( 2.697 -1.250 0.000) 2.973 3.517 ( -1.617 0.682 0.000) 1.755 3.572 ( -1.595 -1.930 0.000) 2.504 3.980 ( -5.561 1.108 0.000) 5.670 4.070 ( -2.736 -2.716 0.000) 3.855 4.305 ( 2.726 2.455 0.000) 3.668 4.412 ( -0.245 -1.039 0.000) 1.068 4.584 ( -1.206 6.341 0.000) 6.454 4.673 ( -0.621 2.964 0.000) 3.028 4.932 ( -0.218 -1.042 0.000) 1.065 4.960 ( -0.294 -1.634 0.000) 1.660 4.963 ( 0.004 0.209 0.000) 0.209 5.065 ( -0.490 -1.983 0.000) 2.043 6.815 ( -0.469 0.323 0.000) 0.569 6.857 ( -0.591 -1.499 0.000) 1.611 6.938 ( 0.866 1.600 0.000) 1.819 6.996 ( -0.991 -0.506 0.000) 1.113 7.448 ( -0.400 1.365 0.000) 1.422 7.547 ( 0.556 -3.349 0.000) 3.395 7.636 ( -2.046 1.385 0.000) 2.471 7.692 ( -0.585 -1.120 0.000) 1.264 8.067 ( 0.401 0.274 0.000) 0.486 8.085 ( 0.827 -0.232 0.000) 0.859 8.151 ( -0.487 2.154 0.000) 2.208 8.229 ( 1.671 -1.520 0.000) 2.259 8.248 ( 1.244 -0.188 0.000) 1.258 8.281 ( -2.231 -1.262 0.000) 2.564 8.402 ( 3.715 1.028 0.000) 3.855 8.480 ( 0.287 -2.046 0.000) 2.066 8.864 ( 0.870 0.795 0.000) 1.178 8.901 ( 1.300 -0.799 0.000) 1.526 9.010 ( 3.542 2.382 0.000) 4.268 9.126 ( 2.096 -1.911 0.000) 2.837 9.280 ( -1.753 1.866 0.000) 2.560 9.363 ( -1.650 -0.083 0.000) 1.652 9.425 ( 0.761 -1.862 0.000) 2.011 9.467 ( -1.643 -2.691 0.000) 3.153 9.540 ( 2.837 -0.117 0.000) 2.839 9.581 ( 1.315 -1.612 0.000) 2.080 9.792 ( 1.153 2.562 0.000) 2.809 9.839 ( 0.177 1.198 0.000) 1.211 9.984 ( -3.159 -0.048 0.000) 3.160 10.022 ( -4.393 -0.778 0.000) 4.461 10.151 ( -4.376 2.318 0.000) 4.952 10.271 ( -3.491 -2.584 0.000) 4.343 10.416 ( -2.202 0.452 0.000) 2.248 10.424 ( -1.502 -0.091 0.000) 1.505 10.511 ( 1.838 1.565 0.000) 2.414 10.562 ( 0.634 -0.161 0.000) 0.654 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 9.155 6.299 0.000) 11.112 0.995 ( 1.608 -0.522 0.000) 1.691 1.128 ( 6.365 5.351 0.000) 8.316 1.209 ( -1.137 3.127 0.000) 3.327 1.279 ( 1.950 1.662 0.000) 2.563 1.323 ( 0.754 3.479 0.000) 3.560 1.471 ( 1.330 -0.163 0.000) 1.340 1.519 ( 0.793 -3.384 0.000) 3.475 1.585 ( -5.316 -1.928 0.000) 5.655 1.606 ( 0.070 1.667 0.000) 1.669 1.693 ( -5.345 -4.281 0.000) 6.848 1.717 ( -1.869 0.908 0.000) 2.078 1.745 ( -0.389 1.089 0.000) 1.156 1.828 ( -1.610 -1.297 0.000) 2.067 1.944 ( 1.838 -0.202 0.000) 1.849 1.995 ( 0.896 -1.797 0.000) 2.008 2.084 ( -0.366 0.356 0.000) 0.511 2.096 ( 1.911 2.836 0.000) 3.420 2.179 ( 1.178 1.794 0.000) 2.146 2.253 ( 6.663 5.116 0.000) 8.401 2.321 ( -0.846 1.521 0.000) 1.740 2.342 ( -1.594 4.342 0.000) 4.625 2.468 ( 5.271 1.080 0.000) 5.380 2.542 ( -2.365 -2.425 0.000) 3.387 2.580 ( -0.931 -0.446 0.000) 1.032 2.620 ( 2.895 1.046 0.000) 3.078 2.645 ( 2.103 -2.332 0.000) 3.140 2.727 ( 0.662 -1.787 0.000) 1.906 2.846 ( -1.549 -0.432 0.000) 1.608 2.912 ( 1.118 -0.533 0.000) 1.239 2.927 ( 4.041 -1.418 0.000) 4.282 2.981 ( -2.675 -3.008 0.000) 4.025 3.240 ( 1.568 -0.090 0.000) 1.571 3.287 ( 5.309 -0.957 0.000) 5.395 3.349 ( 2.629 0.145 0.000) 2.633 3.411 ( 2.667 -0.648 0.000) 2.745 3.484 ( -0.562 0.644 0.000) 0.854 3.529 ( -2.379 -2.118 0.000) 3.185 3.862 ( -5.724 3.065 0.000) 6.493 4.001 ( -4.235 -3.637 0.000) 5.582 4.357 ( 2.354 1.006 0.000) 2.560 4.396 ( -0.962 0.410 0.000) 1.046 4.551 ( -2.134 4.494 0.000) 4.975 4.649 ( -2.117 0.544 0.000) 2.186 4.929 ( 0.067 -0.767 0.000) 0.770 4.954 ( -0.133 -1.718 0.000) 1.723 4.969 ( 0.507 2.013 0.000) 2.076 5.049 ( -1.126 -1.207 0.000) 1.651 6.798 ( -1.043 0.297 0.000) 1.084 6.838 ( -1.430 -1.412 0.000) 2.009 6.952 ( 0.390 0.236 0.000) 0.456 6.974 ( -1.078 -0.364 0.000) 1.138 7.446 ( 0.296 1.702 0.000) 1.728 7.551 ( -0.485 -2.642 0.000) 2.686 7.601 ( -0.860 1.626 0.000) 1.839 7.677 ( -0.870 -1.304 0.000) 1.568 8.079 ( 0.824 0.355 0.000) 0.898 8.105 ( 1.035 -0.529 0.000) 1.162 8.148 ( 0.220 1.517 0.000) 1.532 8.223 ( -2.183 -1.835 0.000) 2.851 8.284 ( 2.373 -0.280 0.000) 2.390 8.300 ( 3.303 -1.010 0.000) 3.454 8.447 ( 0.721 0.147 0.000) 0.736 8.472 ( -0.947 -0.627 0.000) 1.135 8.889 ( 1.416 0.906 0.000) 1.681 8.927 ( 1.007 -0.756 0.000) 1.259 9.100 ( 4.784 1.622 0.000) 5.052 9.176 ( 2.662 -0.340 0.000) 2.684 9.281 ( 2.213 2.089 0.000) 3.043 9.349 ( 0.735 -1.147 0.000) 1.362 9.425 ( -1.853 -2.297 0.000) 2.951 9.440 ( 0.704 -3.267 0.000) 3.342 9.587 ( 2.104 0.585 0.000) 2.183 9.629 ( 2.781 -0.732 0.000) 2.876 9.795 ( -2.470 2.552 0.000) 3.552 9.835 ( 0.124 1.544 0.000) 1.549 9.880 ( -6.643 0.073 0.000) 6.643 9.953 ( -1.642 -2.321 0.000) 2.843 10.040 ( -6.511 2.888 0.000) 7.123 10.166 ( -7.025 -2.468 0.000) 7.446 10.371 ( -1.895 0.641 0.000) 2.000 10.394 ( -1.601 -0.617 0.000) 1.716 10.542 ( 1.244 1.125 0.000) 1.677 10.573 ( 0.345 0.043 0.000) 0.347 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.38 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( 10.659 2.990 0.000) 11.070 1.053 ( 4.253 0.133 0.000) 4.255 1.202 ( 0.847 4.049 0.000) 4.137 1.240 ( 1.432 3.028 0.000) 3.350 1.292 ( 1.576 3.088 0.000) 3.467 1.337 ( -3.285 3.139 0.000) 4.544 1.453 ( -0.895 -0.243 0.000) 0.928 1.460 ( -1.332 -0.342 0.000) 1.375 1.549 ( -4.550 -1.915 0.000) 4.937 1.585 ( 2.117 -2.785 0.000) 3.499 1.619 ( -2.436 -2.903 0.000) 3.789 1.664 ( -2.285 -1.154 0.000) 2.560 1.760 ( 1.493 1.623 0.000) 2.205 1.829 ( 0.339 -0.022 0.000) 0.339 1.977 ( 0.679 1.454 0.000) 1.605 2.009 ( 0.712 0.389 0.000) 0.811 2.057 ( -0.038 -0.487 0.000) 0.488 2.090 ( -1.493 -1.043 0.000) 1.822 2.169 ( -1.309 4.008 0.000) 4.216 2.257 ( -4.102 1.914 0.000) 4.527 2.324 ( 0.715 5.124 0.000) 5.174 2.399 ( -0.346 2.251 0.000) 2.277 2.495 ( 1.416 0.630 0.000) 1.549 2.553 ( -1.454 -2.504 0.000) 2.896 2.575 ( 5.037 2.807 0.000) 5.767 2.688 ( 3.578 -0.908 0.000) 3.692 2.723 ( 4.055 -2.584 0.000) 4.808 2.768 ( 2.980 -2.921 0.000) 4.173 2.791 ( -2.941 0.222 0.000) 2.950 2.897 ( -3.661 -2.837 0.000) 4.632 2.960 ( 1.862 -0.325 0.000) 1.890 2.997 ( 2.182 -0.053 0.000) 2.182 3.273 ( 1.931 0.677 0.000) 2.046 3.347 ( 1.737 -2.258 0.000) 2.848 3.375 ( -2.128 0.695 0.000) 2.239 3.451 ( -1.863 -2.122 0.000) 2.824 3.499 ( 6.311 1.732 0.000) 6.545 3.557 ( 4.705 -0.717 0.000) 4.759 3.763 ( -4.054 3.451 0.000) 5.324 3.894 ( -6.627 -2.753 0.000) 7.176 4.385 ( 1.029 1.101 0.000) 1.507 4.413 ( 2.685 0.011 0.000) 2.685 4.500 ( -2.885 2.104 0.000) 3.571 4.584 ( -4.231 -1.355 0.000) 4.442 4.938 ( 0.710 0.051 0.000) 0.712 4.954 ( 0.040 -0.651 0.000) 0.652 4.981 ( 0.715 1.616 0.000) 1.767 5.023 ( -1.368 -0.159 0.000) 1.377 6.780 ( -0.541 0.268 0.000) 0.604 6.805 ( -1.620 -0.684 0.000) 1.758 6.953 ( -0.152 -0.792 0.000) 0.806 6.959 ( -0.425 -0.798 0.000) 0.904 7.460 ( 1.134 1.863 0.000) 2.181 7.524 ( -1.809 0.573 0.000) 1.898 7.608 ( 1.137 -0.794 0.000) 1.387 7.658 ( -1.054 -1.424 0.000) 1.772 8.099 ( 1.177 0.125 0.000) 1.184 8.122 ( 0.600 -0.720 0.000) 0.937 8.154 ( 0.258 0.409 0.000) 0.483 8.183 ( -1.699 -0.977 0.000) 1.960 8.332 ( 2.237 -0.075 0.000) 2.238 8.357 ( 1.986 -0.968 0.000) 2.209 8.440 ( -0.749 0.160 0.000) 0.766 8.455 ( -0.725 -0.234 0.000) 0.762 8.913 ( 0.990 0.809 0.000) 1.279 8.937 ( -0.020 -0.132 0.000) 0.133 9.178 ( 3.116 0.049 0.000) 3.116 9.229 ( 1.865 -1.580 0.000) 2.445 9.344 ( 3.449 2.362 0.000) 4.180 9.390 ( 1.168 -0.330 0.000) 1.214 9.414 ( 2.851 -1.398 0.000) 3.176 9.474 ( 2.590 -2.533 0.000) 3.623 9.613 ( -0.347 1.325 0.000) 1.370 9.670 ( 1.060 -0.990 0.000) 1.451 9.723 ( -3.031 2.063 0.000) 3.667 9.744 ( -4.438 1.686 0.000) 4.747 9.848 ( -1.875 0.786 0.000) 2.033 9.918 ( -2.824 1.401 0.000) 3.153 9.938 ( -1.004 -2.558 0.000) 2.748 10.004 ( -8.633 -1.885 0.000) 8.836 10.345 ( -0.649 0.483 0.000) 0.809 10.364 ( -1.328 -0.468 0.000) 1.408 10.561 ( 0.658 0.662 0.000) 0.934 10.575 ( -0.080 0.151 0.000) 0.171 ======================= Grid point 22 (15/60) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -3.255 3.899 0.000) 5.079 1.133 ( 3.255 3.899 0.000) 5.079 1.169 ( -1.179 3.371 0.000) 3.571 1.169 ( 1.179 3.371 0.000) 3.571 1.307 ( -1.975 0.769 0.000) 2.119 1.307 ( 1.975 0.769 0.000) 2.119 1.456 ( -4.025 -3.088 0.000) 5.073 1.456 ( 4.025 -3.088 0.000) 5.073 1.543 ( -4.684 0.182 0.000) 4.688 1.543 ( 4.684 0.182 0.000) 4.688 1.628 ( -1.847 -1.929 0.000) 2.671 1.628 ( 1.847 -1.929 0.000) 2.671 1.803 ( -2.515 1.461 0.000) 2.909 1.803 ( 2.515 1.461 0.000) 2.909 1.995 ( -1.913 1.351 0.000) 2.342 1.995 ( 1.913 1.351 0.000) 2.342 2.075 ( -0.855 -0.859 0.000) 1.212 2.075 ( 0.855 -0.859 0.000) 1.212 2.178 ( -3.007 3.403 0.000) 4.541 2.178 ( 3.007 3.403 0.000) 4.541 2.352 ( -2.193 3.567 0.000) 4.187 2.352 ( 2.193 3.567 0.000) 4.187 2.526 ( -1.350 -2.565 0.000) 2.899 2.526 ( 1.350 -2.565 0.000) 2.899 2.671 ( -4.162 1.012 0.000) 4.283 2.671 ( 4.162 1.012 0.000) 4.283 2.782 ( -0.685 -2.491 0.000) 2.584 2.782 ( 0.685 -2.491 0.000) 2.584 2.824 ( -3.248 -2.039 0.000) 3.835 2.824 ( 3.248 -2.039 0.000) 3.835 3.000 ( -1.613 1.086 0.000) 1.944 3.000 ( 1.613 1.086 0.000) 1.944 3.319 ( -2.667 0.783 0.000) 2.779 3.319 ( 2.667 0.783 0.000) 2.779 3.394 ( -2.726 -2.029 0.000) 3.398 3.394 ( 2.726 -2.029 0.000) 3.398 3.611 ( -2.265 0.879 0.000) 2.429 3.611 ( 2.265 0.879 0.000) 2.429 3.755 ( -5.521 0.313 0.000) 5.530 3.755 ( 5.521 0.313 0.000) 5.530 4.426 ( -2.625 1.292 0.000) 2.925 4.426 ( 2.625 1.292 0.000) 2.925 4.496 ( -3.957 -1.430 0.000) 4.207 4.496 ( 3.957 -1.430 0.000) 4.207 4.951 ( -0.447 0.053 0.000) 0.450 4.951 ( 0.447 0.053 0.000) 0.450 4.998 ( -1.071 0.799 0.000) 1.336 4.998 ( 1.071 0.799 0.000) 1.336 6.781 ( -0.650 -0.029 0.000) 0.650 6.781 ( 0.650 -0.029 0.000) 0.650 6.953 ( -0.184 -1.125 0.000) 1.140 6.953 ( 0.184 -1.125 0.000) 1.140 7.489 ( -1.675 1.623 0.000) 2.333 7.489 ( 1.675 1.623 0.000) 2.333 7.634 ( -1.319 -1.353 0.000) 1.890 7.634 ( 1.319 -1.353 0.000) 1.890 8.121 ( -0.796 -0.444 0.000) 0.911 8.121 ( 0.796 -0.444 0.000) 0.911 8.160 ( -0.556 -0.250 0.000) 0.609 8.160 ( 0.556 -0.250 0.000) 0.609 8.366 ( -0.972 -0.503 0.000) 1.094 8.366 ( 0.972 -0.503 0.000) 1.094 8.440 ( -0.695 0.102 0.000) 0.703 8.440 ( 0.695 0.102 0.000) 0.703 8.929 ( -0.626 0.426 0.000) 0.757 8.929 ( 0.626 0.426 0.000) 0.757 9.228 ( -1.692 -1.720 0.000) 2.412 9.228 ( 1.692 -1.720 0.000) 2.412 9.399 ( -1.485 1.134 0.000) 1.868 9.399 ( 1.485 1.134 0.000) 1.868 9.477 ( -3.320 -1.011 0.000) 3.470 9.477 ( 3.320 -1.011 0.000) 3.470 9.640 ( -4.166 0.897 0.000) 4.262 9.640 ( 4.166 0.897 0.000) 4.262 9.699 ( -0.576 1.728 0.000) 1.822 9.699 ( 0.576 1.728 0.000) 1.822 9.851 ( -5.333 0.124 0.000) 5.334 9.851 ( 5.333 0.124 0.000) 5.334 9.921 ( -1.084 -2.059 0.000) 2.327 9.921 ( 1.084 -2.059 0.000) 2.327 10.345 ( -0.552 0.038 0.000) 0.553 10.345 ( 0.552 0.038 0.000) 0.553 10.571 ( -0.345 0.327 0.000) 0.476 10.571 ( 0.345 0.327 0.000) 0.476 ======================= Grid point 27 (16/60) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.000 -11.163 0.000) 11.163 0.980 ( 0.000 11.163 0.000) 11.163 1.139 ( 0.000 -7.907 0.000) 7.907 1.139 ( 0.000 7.907 0.000) 7.907 1.268 ( 0.000 -1.056 0.000) 1.056 1.268 ( 0.000 1.056 0.000) 1.056 1.484 ( 0.000 -0.980 0.000) 0.980 1.484 ( 0.000 0.980 0.000) 0.980 1.564 ( 0.000 -2.517 0.000) 2.517 1.564 ( 0.000 2.517 0.000) 2.517 1.719 ( 0.000 -3.980 0.000) 3.980 1.719 ( 0.000 3.980 0.000) 3.980 1.776 ( 0.000 -3.149 0.000) 3.149 1.776 ( 0.000 3.149 0.000) 3.149 1.901 ( 0.000 -0.923 0.000) 0.923 1.901 ( 0.000 0.923 0.000) 0.923 2.061 ( 0.000 -2.387 0.000) 2.387 2.061 ( 0.000 2.387 0.000) 2.387 2.216 ( 0.000 -0.249 0.000) 0.249 2.216 ( 0.000 0.249 0.000) 0.249 2.336 ( 0.000 -1.119 0.000) 1.119 2.336 ( 0.000 1.119 0.000) 1.119 2.443 ( 0.000 -5.267 0.000) 5.267 2.443 ( 0.000 5.267 0.000) 5.267 2.594 ( 0.000 -2.327 0.000) 2.327 2.594 ( 0.000 2.327 0.000) 2.327 2.739 ( 0.000 -4.359 0.000) 4.359 2.739 ( 0.000 4.359 0.000) 4.359 2.808 ( 0.000 -0.530 0.000) 0.530 2.808 ( 0.000 0.530 0.000) 0.530 2.969 ( 0.000 -2.259 0.000) 2.259 2.969 ( 0.000 2.259 0.000) 2.259 3.147 ( 0.000 -3.263 0.000) 3.263 3.147 ( 0.000 3.263 0.000) 3.263 3.295 ( 0.000 -0.076 0.000) 0.076 3.295 ( 0.000 0.076 0.000) 0.076 3.552 ( 0.000 -1.253 0.000) 1.253 3.552 ( 0.000 1.253 0.000) 1.253 4.058 ( 0.000 -1.716 0.000) 1.716 4.058 ( 0.000 1.716 0.000) 1.716 4.356 ( 0.000 -3.715 0.000) 3.715 4.356 ( 0.000 3.715 0.000) 3.715 4.705 ( 0.000 -2.462 0.000) 2.462 4.705 ( 0.000 2.462 0.000) 2.462 4.911 ( 0.000 -1.014 0.000) 1.014 4.911 ( 0.000 1.014 0.000) 1.014 5.016 ( 0.000 -2.802 0.000) 2.802 5.016 ( 0.000 2.802 0.000) 2.802 6.836 ( 0.000 -1.106 0.000) 1.106 6.836 ( 0.000 1.106 0.000) 1.106 6.976 ( 0.000 -2.055 0.000) 2.055 6.976 ( 0.000 2.055 0.000) 2.055 7.486 ( 0.000 -1.996 0.000) 1.996 7.486 ( 0.000 1.996 0.000) 1.996 7.676 ( 0.000 -0.979 0.000) 0.979 7.676 ( 0.000 0.979 0.000) 0.979 8.070 ( 0.000 -0.421 0.000) 0.421 8.070 ( 0.000 0.421 0.000) 0.421 8.179 ( 0.000 -1.312 0.000) 1.312 8.179 ( 0.000 1.312 0.000) 1.312 8.284 ( 0.000 -1.475 0.000) 1.475 8.284 ( 0.000 1.475 0.000) 1.475 8.400 ( 0.000 -3.249 0.000) 3.249 8.400 ( 0.000 3.249 0.000) 3.249 8.873 ( 0.000 -0.776 0.000) 0.776 8.873 ( 0.000 0.776 0.000) 0.776 9.038 ( 0.000 -3.263 0.000) 3.263 9.038 ( 0.000 3.263 0.000) 3.263 9.354 ( 0.000 -2.579 0.000) 2.579 9.354 ( 0.000 2.579 0.000) 2.579 9.429 ( 0.000 -2.121 0.000) 2.121 9.429 ( 0.000 2.121 0.000) 2.121 9.527 ( 0.000 -1.777 0.000) 1.777 9.527 ( 0.000 1.777 0.000) 1.777 9.826 ( 0.000 -1.530 0.000) 1.530 9.826 ( 0.000 1.530 0.000) 1.530 10.041 ( 0.000 -1.706 0.000) 1.706 10.041 ( 0.000 1.706 0.000) 1.706 10.248 ( 0.000 -2.821 0.000) 2.821 10.248 ( 0.000 2.821 0.000) 2.821 10.445 ( 0.000 -0.518 0.000) 0.518 10.445 ( 0.000 0.518 0.000) 0.518 10.530 ( 0.000 -1.892 0.000) 1.892 10.530 ( 0.000 1.892 0.000) 1.892 ======================= Grid point 29 (17/60) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( -4.256 -10.692 0.000) 11.508 0.903 ( -4.256 10.692 0.000) 11.508 1.163 ( 2.964 -5.499 0.000) 6.247 1.163 ( 2.964 5.499 0.000) 6.247 1.331 ( 2.888 -3.396 0.000) 4.458 1.331 ( 2.888 3.396 0.000) 4.458 1.448 ( -1.585 -0.360 0.000) 1.625 1.448 ( -1.585 0.360 0.000) 1.625 1.582 ( 0.415 -1.730 0.000) 1.779 1.582 ( 0.415 1.730 0.000) 1.779 1.747 ( 1.674 -1.744 0.000) 2.417 1.747 ( 1.674 1.744 0.000) 2.417 1.796 ( 0.004 -0.430 0.000) 0.430 1.796 ( 0.004 0.430 0.000) 0.430 1.946 ( 1.270 -0.309 0.000) 1.307 1.946 ( 1.270 0.309 0.000) 1.307 2.062 ( 3.673 -2.454 0.000) 4.417 2.062 ( 3.673 2.454 0.000) 4.417 2.189 ( -0.492 -2.098 0.000) 2.155 2.189 ( -0.492 2.098 0.000) 2.155 2.322 ( -0.322 -2.499 0.000) 2.520 2.322 ( -0.322 2.499 0.000) 2.520 2.484 ( 1.944 -4.310 0.000) 4.728 2.484 ( 1.944 4.310 0.000) 4.728 2.600 ( 0.502 -1.538 0.000) 1.618 2.600 ( 0.502 1.538 0.000) 1.618 2.701 ( -2.961 -3.543 0.000) 4.617 2.701 ( -2.961 3.543 0.000) 4.617 2.833 ( 2.311 -0.357 0.000) 2.338 2.833 ( 2.311 0.357 0.000) 2.338 2.953 ( -1.589 -2.813 0.000) 3.231 2.953 ( -1.589 2.813 0.000) 3.231 3.187 ( 3.425 -1.864 0.000) 3.899 3.187 ( 3.425 1.864 0.000) 3.899 3.316 ( 2.143 -1.109 0.000) 2.413 3.316 ( 2.143 1.109 0.000) 2.413 3.535 ( -1.591 -1.242 0.000) 2.018 3.535 ( -1.591 1.242 0.000) 2.018 4.016 ( -3.719 -2.292 0.000) 4.368 4.016 ( -3.719 2.292 0.000) 4.368 4.368 ( 0.927 -2.913 0.000) 3.057 4.368 ( 0.927 2.913 0.000) 3.057 4.685 ( -1.909 -2.490 0.000) 3.138 4.685 ( -1.909 2.490 0.000) 3.138 4.914 ( 0.326 -0.909 0.000) 0.966 4.914 ( 0.326 0.909 0.000) 0.966 5.016 ( -0.007 -2.618 0.000) 2.618 5.016 ( -0.007 2.618 0.000) 2.618 6.830 ( -0.642 -1.060 0.000) 1.240 6.830 ( -0.642 1.060 0.000) 1.240 6.973 ( -0.327 -1.549 0.000) 1.583 6.973 ( -0.327 1.549 0.000) 1.583 7.486 ( 0.056 -2.323 0.000) 2.324 7.486 ( 0.056 2.323 0.000) 2.324 7.665 ( -0.984 -1.364 0.000) 1.682 7.665 ( -0.984 1.364 0.000) 1.682 8.076 ( 0.578 -0.527 0.000) 0.782 8.076 ( 0.578 0.527 0.000) 0.782 8.193 ( 0.799 -1.855 0.000) 2.019 8.193 ( 0.799 1.855 0.000) 2.019 8.256 ( -0.972 -0.939 0.000) 1.351 8.256 ( -0.972 0.939 0.000) 1.351 8.436 ( 2.107 -1.988 0.000) 2.897 8.436 ( 2.107 1.988 0.000) 2.897 8.883 ( 0.990 -0.934 0.000) 1.361 8.883 ( 0.990 0.934 0.000) 1.361 9.070 ( 3.099 -3.022 0.000) 4.328 9.070 ( 3.099 3.022 0.000) 4.328 9.329 ( -1.634 -2.524 0.000) 3.007 9.329 ( -1.634 2.524 0.000) 3.007 9.424 ( -0.970 -1.369 0.000) 1.678 9.424 ( -0.970 1.369 0.000) 1.678 9.550 ( 2.345 -1.097 0.000) 2.589 9.550 ( 2.345 1.097 0.000) 2.589 9.838 ( 0.981 -1.413 0.000) 1.720 9.838 ( 0.981 1.413 0.000) 1.720 9.996 ( -4.256 -1.251 0.000) 4.436 9.996 ( -4.256 1.251 0.000) 4.436 10.211 ( -3.663 -3.036 0.000) 4.757 10.211 ( -3.663 3.036 0.000) 4.757 10.421 ( -1.926 -0.173 0.000) 1.934 10.421 ( -1.926 0.173 0.000) 1.934 10.545 ( 1.139 -1.361 0.000) 1.775 10.545 ( 1.139 1.361 0.000) 1.775 ======================= Grid point 31 (18/60) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 3.474 -7.125 0.000) 7.927 0.893 ( 3.474 7.125 0.000) 7.927 1.224 ( 2.326 -2.172 0.000) 3.183 1.224 ( 2.326 2.172 0.000) 3.183 1.354 ( 1.016 -3.040 0.000) 3.205 1.354 ( 1.016 3.040 0.000) 3.205 1.464 ( 2.047 -1.913 0.000) 2.801 1.464 ( 2.047 1.913 0.000) 2.801 1.563 ( -2.483 -1.758 0.000) 3.042 1.563 ( -2.483 1.758 0.000) 3.042 1.708 ( -6.183 -2.125 0.000) 6.538 1.708 ( -6.183 2.125 0.000) 6.538 1.784 ( 1.137 -2.524 0.000) 2.768 1.784 ( 1.137 2.524 0.000) 2.768 1.955 ( 1.680 -1.452 0.000) 2.221 1.955 ( 1.680 1.452 0.000) 2.221 2.098 ( -1.492 -1.079 0.000) 1.841 2.098 ( -1.492 1.079 0.000) 1.841 2.263 ( 1.961 -3.996 0.000) 4.451 2.263 ( 1.961 3.996 0.000) 4.451 2.373 ( 6.824 -3.514 0.000) 7.675 2.373 ( 6.824 3.514 0.000) 7.675 2.492 ( -0.278 -3.218 0.000) 3.230 2.492 ( -0.278 3.218 0.000) 3.230 2.603 ( 0.025 -1.564 0.000) 1.564 2.603 ( 0.025 1.564 0.000) 1.564 2.668 ( 0.318 -3.518 0.000) 3.532 2.668 ( 0.318 3.518 0.000) 3.532 2.874 ( 0.001 -2.906 0.000) 2.906 2.874 ( 0.001 2.906 0.000) 2.906 2.924 ( 0.449 -1.765 0.000) 1.821 2.924 ( 0.449 1.765 0.000) 1.821 3.254 ( 2.804 -1.432 0.000) 3.148 3.254 ( 2.804 1.432 0.000) 3.148 3.381 ( 4.067 -2.056 0.000) 4.557 3.381 ( 4.067 2.056 0.000) 4.557 3.497 ( -1.757 -0.802 0.000) 1.931 3.497 ( -1.757 0.802 0.000) 1.931 3.929 ( -4.748 -3.233 0.000) 5.744 3.929 ( -4.748 3.233 0.000) 5.744 4.385 ( 0.716 -1.236 0.000) 1.429 4.385 ( 0.716 1.236 0.000) 1.429 4.630 ( -3.622 -2.527 0.000) 4.417 4.630 ( -3.622 2.527 0.000) 4.417 4.925 ( 0.782 -0.723 0.000) 1.065 4.925 ( 0.782 0.723 0.000) 1.065 5.015 ( -0.129 -1.995 0.000) 2.000 5.015 ( -0.129 1.995 0.000) 2.000 6.812 ( -1.123 -0.979 0.000) 1.489 6.812 ( -1.123 0.979 0.000) 1.489 6.962 ( -0.757 -0.634 0.000) 0.988 6.962 ( -0.757 0.634 0.000) 0.988 7.491 ( 0.492 -2.607 0.000) 2.653 7.491 ( 0.492 2.607 0.000) 2.653 7.643 ( -1.151 -1.906 0.000) 2.227 7.643 ( -1.151 1.906 0.000) 2.227 8.091 ( 0.852 -0.707 0.000) 1.107 8.091 ( 0.852 0.707 0.000) 1.107 8.184 ( -1.102 -1.818 0.000) 2.126 8.184 ( -1.102 1.818 0.000) 2.126 8.284 ( 2.878 -0.400 0.000) 2.905 8.284 ( 2.878 0.400 0.000) 2.905 8.457 ( -0.035 -0.699 0.000) 0.700 8.457 ( -0.035 0.699 0.000) 0.700 8.909 ( 1.375 -0.928 0.000) 1.659 8.909 ( 1.375 0.928 0.000) 1.659 9.144 ( 3.603 -2.245 0.000) 4.245 9.144 ( 3.603 2.245 0.000) 4.245 9.323 ( 1.808 -1.723 0.000) 2.498 9.323 ( 1.808 1.723 0.000) 2.498 9.399 ( -1.032 -0.278 0.000) 1.069 9.399 ( -1.032 0.278 0.000) 1.069 9.606 ( 2.833 -1.135 0.000) 3.052 9.606 ( 2.833 1.135 0.000) 3.052 9.845 ( -1.844 -1.411 0.000) 2.321 9.845 ( -1.844 1.411 0.000) 2.321 9.897 ( -3.783 -2.307 0.000) 4.431 9.897 ( -3.783 2.307 0.000) 4.431 10.106 ( -6.684 -3.091 0.000) 7.365 10.106 ( -6.684 3.091 0.000) 7.365 10.383 ( -1.776 -0.510 0.000) 1.848 10.383 ( -1.776 0.510 0.000) 1.848 10.564 ( 0.682 -0.802 0.000) 1.053 10.564 ( 0.682 0.802 0.000) 1.053 ======================= Grid point 33 (19/60) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.019 ( 8.338 -3.104 0.000) 8.897 1.019 ( 8.338 3.104 0.000) 8.897 1.258 ( 1.403 -1.164 0.000) 1.823 1.258 ( 1.403 1.164 0.000) 1.823 1.362 ( -2.132 -1.250 0.000) 2.471 1.362 ( -2.132 1.250 0.000) 2.471 1.458 ( -4.969 -4.079 0.000) 6.429 1.458 ( -4.969 4.079 0.000) 6.429 1.516 ( 1.992 -3.408 0.000) 3.947 1.516 ( 1.992 3.408 0.000) 3.947 1.627 ( -2.078 -2.042 0.000) 2.914 1.627 ( -2.078 2.042 0.000) 2.914 1.808 ( 1.299 -2.146 0.000) 2.508 1.808 ( 1.299 2.146 0.000) 2.508 2.002 ( 2.055 -0.851 0.000) 2.224 2.002 ( 2.055 0.851 0.000) 2.224 2.062 ( -1.396 -1.070 0.000) 1.759 2.062 ( -1.396 1.070 0.000) 1.759 2.246 ( -2.068 -2.688 0.000) 3.392 2.246 ( -2.068 2.688 0.000) 3.392 2.422 ( -0.418 -2.597 0.000) 2.630 2.422 ( -0.418 2.597 0.000) 2.630 2.497 ( -1.248 -2.188 0.000) 2.518 2.497 ( -1.248 2.188 0.000) 2.518 2.651 ( 3.660 -2.699 0.000) 4.548 2.651 ( 3.660 2.699 0.000) 4.548 2.704 ( 2.792 -1.625 0.000) 3.230 2.704 ( 2.792 1.625 0.000) 3.230 2.833 ( -2.397 -2.830 0.000) 3.709 2.833 ( -2.397 2.830 0.000) 3.709 2.977 ( 3.165 -1.499 0.000) 3.502 2.977 ( 3.165 1.499 0.000) 3.502 3.300 ( 2.122 -1.917 0.000) 2.860 3.300 ( 2.122 1.917 0.000) 2.860 3.404 ( -2.175 -1.979 0.000) 2.940 3.404 ( -2.175 1.979 0.000) 2.940 3.534 ( 5.554 -1.440 0.000) 5.737 3.534 ( 5.554 1.440 0.000) 5.737 3.832 ( -4.960 -3.095 0.000) 5.846 3.832 ( -4.960 3.095 0.000) 5.846 4.405 ( 1.678 -0.763 0.000) 1.843 4.405 ( 1.678 0.763 0.000) 1.843 4.547 ( -4.485 -2.141 0.000) 4.970 4.547 ( -4.485 2.141 0.000) 4.970 4.942 ( 0.802 -0.413 0.000) 0.902 4.942 ( 0.802 0.413 0.000) 0.902 5.010 ( -0.249 -1.048 0.000) 1.077 5.010 ( -0.249 1.048 0.000) 1.077 6.790 ( -0.890 -0.632 0.000) 1.092 6.790 ( -0.890 0.632 0.000) 1.092 6.947 ( -0.663 -0.224 0.000) 0.699 6.947 ( -0.663 0.224 0.000) 0.699 7.503 ( 0.611 -2.005 0.000) 2.096 7.503 ( 0.611 2.005 0.000) 2.096 7.623 ( -0.724 -1.660 0.000) 1.811 7.623 ( -0.724 1.660 0.000) 1.811 8.108 ( 0.781 -0.616 0.000) 0.995 8.108 ( 0.781 0.616 0.000) 0.995 8.165 ( -0.743 -0.687 0.000) 1.011 8.165 ( -0.743 0.687 0.000) 1.011 8.338 ( 2.145 -0.668 0.000) 2.247 8.338 ( 2.145 0.668 0.000) 2.247 8.447 ( -0.611 -0.456 0.000) 0.762 8.447 ( -0.611 0.456 0.000) 0.762 8.929 ( 0.614 -0.600 0.000) 0.859 8.929 ( 0.614 0.600 0.000) 0.859 9.194 ( 1.460 -1.423 0.000) 2.038 9.194 ( 1.460 1.423 0.000) 2.038 9.382 ( 2.028 -1.294 0.000) 2.406 9.382 ( 2.028 1.294 0.000) 2.406 9.419 ( 4.003 -2.315 0.000) 4.624 9.419 ( 4.003 2.315 0.000) 4.624 9.644 ( 0.487 -1.439 0.000) 1.519 9.644 ( 0.487 1.439 0.000) 1.519 9.757 ( -3.759 -0.719 0.000) 3.827 9.757 ( -3.759 0.719 0.000) 3.827 9.879 ( -0.214 -2.480 0.000) 2.489 9.879 ( -0.214 2.480 0.000) 2.489 9.960 ( -7.162 -2.191 0.000) 7.489 9.960 ( -7.162 2.191 0.000) 7.489 10.355 ( -0.964 -0.435 0.000) 1.057 10.355 ( -0.964 0.435 0.000) 1.057 10.573 ( 0.203 -0.373 0.000) 0.424 10.573 ( 0.203 0.373 0.000) 0.424 ======================= Grid point 35 (20/60) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 0.000 0.000 0.000) 0.000 1.180 ( 0.000 0.000 0.000) 0.000 1.210 ( -0.000 0.000 0.000) 0.000 1.210 ( 0.000 0.000 0.000) 0.000 1.327 ( -0.000 0.000 0.000) 0.000 1.327 ( -0.000 0.000 0.000) 0.000 1.398 ( 0.000 0.000 0.000) 0.000 1.398 ( 0.000 0.000 0.000) 0.000 1.571 ( -0.000 -0.000 0.000) 0.000 1.571 ( 0.000 0.000 0.000) 0.000 1.585 ( 0.000 -0.000 0.000) 0.000 1.585 ( -0.000 0.000 0.000) 0.000 1.826 ( 0.000 0.000 0.000) 0.000 1.826 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.060 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 0.000) 0.000 2.417 ( 0.000 -0.000 0.000) 0.000 2.417 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.473 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.692 ( 0.000 0.000 0.000) 0.000 2.733 ( 0.000 -0.000 0.000) 0.000 2.733 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 2.808 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.340 ( -0.000 -0.000 0.000) 0.000 3.340 ( 0.000 0.000 0.000) 0.000 3.358 ( 0.000 -0.000 0.000) 0.000 3.358 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 4.450 ( 0.000 -0.000 0.000) 0.000 4.450 ( 0.000 0.000 0.000) 0.000 4.472 ( -0.000 -0.000 0.000) 0.000 4.472 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 4.952 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 6.781 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 6.940 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.616 ( -0.000 0.000 0.000) 0.000 7.616 ( -0.000 0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.361 ( 0.000 0.000 0.000) 0.000 8.440 ( 0.000 0.000 0.000) 0.000 8.440 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 8.935 ( 0.000 0.000 0.000) 0.000 9.208 ( 0.000 0.000 0.000) 0.000 9.208 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.413 ( 0.000 0.000 0.000) 0.000 9.464 ( -0.000 0.000 0.000) 0.000 9.464 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.720 ( 0.000 0.000 0.000) 0.000 9.720 ( 0.000 0.000 0.000) 0.000 9.858 ( 0.000 -0.000 0.000) 0.000 9.858 ( 0.000 0.000 0.000) 0.000 9.889 ( -0.000 0.000 0.000) 0.000 9.889 ( 0.000 0.000 0.000) 0.000 10.345 ( 0.000 0.000 0.000) 0.000 10.345 ( 0.000 0.000 0.000) 0.000 10.574 ( 0.000 0.000 0.000) 0.000 10.574 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 63 (21/60) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.000 0.000 17.430) 17.430 0.441 ( 0.000 0.000 21.682) 21.682 0.744 ( 0.000 0.000 35.598) 35.598 1.111 ( 0.000 0.000 -5.777) 5.777 1.212 ( 0.000 0.000 -1.507) 1.507 1.450 ( 0.000 0.000 -2.620) 2.620 1.488 ( 0.000 0.000 -2.961) 2.961 1.492 ( 0.000 0.000 -4.820) 4.820 1.526 ( 0.000 0.000 -6.592) 6.592 1.620 ( 0.000 0.000 0.296) 0.296 1.686 ( 0.000 0.000 -0.453) 0.453 1.716 ( 0.000 0.000 -1.063) 1.063 1.822 ( 0.000 0.000 -5.883) 5.883 1.900 ( 0.000 0.000 4.337) 4.337 1.916 ( 0.000 0.000 -1.638) 1.638 1.988 ( 0.000 0.000 6.436) 6.436 2.049 ( 0.000 0.000 3.236) 3.236 2.128 ( 0.000 0.000 -0.329) 0.329 2.219 ( 0.000 0.000 -4.692) 4.692 2.233 ( 0.000 0.000 -2.707) 2.707 2.265 ( 0.000 0.000 0.385) 0.385 2.394 ( 0.000 0.000 6.409) 6.409 2.407 ( 0.000 0.000 2.880) 2.880 2.501 ( 0.000 0.000 -0.021) 0.021 2.602 ( 0.000 0.000 -1.123) 1.123 2.626 ( 0.000 0.000 0.990) 0.990 2.644 ( 0.000 0.000 -4.994) 4.994 2.664 ( 0.000 0.000 0.354) 0.354 2.735 ( 0.000 0.000 0.483) 0.483 2.904 ( 0.000 0.000 -1.859) 1.859 2.922 ( 0.000 0.000 1.098) 1.098 3.011 ( 0.000 0.000 1.845) 1.845 3.195 ( 0.000 0.000 -3.105) 3.105 3.290 ( 0.000 0.000 -1.402) 1.402 3.318 ( 0.000 0.000 0.827) 0.827 3.377 ( 0.000 0.000 -0.166) 0.166 3.507 ( 0.000 0.000 -0.355) 0.355 3.567 ( 0.000 0.000 -3.639) 3.639 4.078 ( 0.000 0.000 2.121) 2.121 4.207 ( 0.000 0.000 -1.809) 1.809 4.247 ( 0.000 0.000 -1.088) 1.088 4.281 ( 0.000 0.000 -1.852) 1.852 4.513 ( 0.000 0.000 2.919) 2.919 4.528 ( 0.000 0.000 1.568) 1.568 4.875 ( 0.000 0.000 1.524) 1.524 5.017 ( 0.000 0.000 -1.071) 1.071 5.074 ( 0.000 0.000 0.249) 0.249 5.096 ( 0.000 0.000 -0.592) 0.592 6.777 ( 0.000 0.000 -1.604) 1.604 6.840 ( 0.000 0.000 -2.405) 2.405 6.922 ( 0.000 0.000 2.735) 2.735 6.998 ( 0.000 0.000 -0.039) 0.039 7.459 ( 0.000 0.000 2.797) 2.797 7.579 ( 0.000 0.000 0.843) 0.843 7.624 ( 0.000 0.000 -1.013) 1.013 7.718 ( 0.000 0.000 -1.904) 1.904 8.049 ( 0.000 0.000 -0.081) 0.081 8.061 ( 0.000 0.000 -0.415) 0.415 8.226 ( 0.000 0.000 0.142) 0.142 8.250 ( 0.000 0.000 1.231) 1.231 8.261 ( 0.000 0.000 -0.876) 0.876 8.323 ( 0.000 0.000 -0.865) 0.865 8.599 ( 0.000 0.000 2.353) 2.353 8.622 ( 0.000 0.000 0.300) 0.300 8.863 ( 0.000 0.000 2.229) 2.229 8.883 ( 0.000 0.000 0.770) 0.770 9.005 ( 0.000 0.000 1.416) 1.416 9.119 ( 0.000 0.000 -0.382) 0.382 9.245 ( 0.000 0.000 -2.744) 2.744 9.363 ( 0.000 0.000 1.080) 1.080 9.430 ( 0.000 0.000 -4.585) 4.585 9.450 ( 0.000 0.000 -1.907) 1.907 9.531 ( 0.000 0.000 -3.251) 3.251 9.642 ( 0.000 0.000 -3.177) 3.177 9.751 ( 0.000 0.000 5.380) 5.380 9.808 ( 0.000 0.000 2.467) 2.467 10.024 ( 0.000 0.000 0.199) 0.199 10.038 ( 0.000 0.000 -0.572) 0.572 10.183 ( 0.000 0.000 3.633) 3.633 10.373 ( 0.000 0.000 -0.070) 0.070 10.399 ( 0.000 0.000 -0.084) 0.084 10.421 ( 0.000 0.000 -1.256) 1.256 10.511 ( 0.000 0.000 -0.007) 0.007 10.519 ( 0.000 0.000 -0.365) 0.365 ======================= Grid point 64 (22/60) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.458 ( 10.474 0.000 11.699) 15.703 0.496 ( 10.287 0.000 12.020) 15.821 1.038 ( 17.949 0.000 21.898) 28.314 1.087 ( -1.732 0.000 -3.419) 3.833 1.200 ( 0.236 0.000 -1.214) 1.237 1.324 ( -7.648 0.000 -2.269) 7.977 1.453 ( -1.069 0.000 -3.924) 4.067 1.500 ( -1.910 0.000 -6.146) 6.436 1.550 ( 0.656 0.000 -2.348) 2.438 1.659 ( 2.939 0.000 0.227) 2.947 1.707 ( -0.085 0.000 -0.590) 0.596 1.733 ( 0.702 0.000 -0.739) 1.019 1.823 ( 0.469 0.000 -4.700) 4.724 1.893 ( -0.601 0.000 2.066) 2.152 1.907 ( -1.007 0.000 0.701) 1.227 1.942 ( -2.135 0.000 4.256) 4.761 2.071 ( -2.560 0.000 -1.113) 2.792 2.104 ( 1.740 0.000 3.315) 3.744 2.161 ( -1.511 0.000 0.156) 1.519 2.233 ( -2.239 0.000 -0.892) 2.410 2.289 ( -0.560 0.000 1.636) 1.729 2.363 ( -3.581 0.000 2.310) 4.261 2.376 ( 1.730 0.000 2.205) 2.803 2.539 ( 0.942 0.000 1.918) 2.137 2.598 ( 1.607 0.000 -1.350) 2.099 2.631 ( -0.042 0.000 -1.498) 1.499 2.668 ( 2.114 0.000 0.290) 2.134 2.694 ( 3.379 0.000 -4.116) 5.325 2.816 ( 5.119 0.000 0.747) 5.173 2.900 ( -0.456 0.000 0.561) 0.723 2.920 ( 0.383 0.000 0.144) 0.409 3.015 ( 0.704 0.000 0.914) 1.154 3.204 ( 1.675 0.000 -2.686) 3.165 3.292 ( -1.243 0.000 -0.653) 1.404 3.336 ( 2.671 0.000 -1.076) 2.879 3.382 ( 0.435 0.000 -0.281) 0.518 3.493 ( -1.354 0.000 -0.190) 1.367 3.563 ( -0.581 0.000 -3.276) 3.327 3.979 ( -7.664 0.000 3.731) 8.524 4.231 ( -1.854 0.000 -3.093) 3.606 4.244 ( 1.117 0.000 -1.115) 1.578 4.276 ( 0.512 0.000 -2.989) 3.033 4.487 ( -0.202 0.000 5.051) 5.055 4.572 ( 2.575 0.000 1.334) 2.900 4.881 ( 0.632 0.000 1.382) 1.519 5.008 ( -0.995 0.000 -0.796) 1.274 5.055 ( -1.633 0.000 0.051) 1.633 5.087 ( -1.092 0.000 -0.594) 1.243 6.814 ( 0.311 0.000 -1.969) 1.994 6.861 ( 2.559 0.000 -3.416) 4.269 6.935 ( 0.677 0.000 1.053) 1.252 6.978 ( -1.566 0.000 -0.203) 1.579 7.448 ( -0.818 0.000 2.740) 2.859 7.569 ( -1.026 0.000 1.476) 1.797 7.626 ( 0.078 0.000 -2.379) 2.380 7.713 ( -0.537 0.000 -1.529) 1.621 8.057 ( 0.811 0.000 0.102) 0.817 8.069 ( 0.742 0.000 -0.066) 0.745 8.189 ( -2.496 0.000 3.419) 4.233 8.248 ( 1.632 0.000 -0.182) 1.642 8.303 ( -1.286 0.000 -0.306) 1.322 8.324 ( 3.601 0.000 0.410) 3.625 8.483 ( -6.163 0.000 4.443) 7.598 8.570 ( -3.075 0.000 2.022) 3.680 8.868 ( 0.775 0.000 1.980) 2.126 8.960 ( 4.059 0.000 1.090) 4.203 9.009 ( 0.612 0.000 0.063) 0.615 9.066 ( -0.261 0.000 2.219) 2.234 9.214 ( -1.918 0.000 -2.321) 3.010 9.367 ( 0.871 0.000 0.941) 1.283 9.436 ( -0.406 0.000 -7.397) 7.408 9.507 ( 1.989 0.000 -2.569) 3.249 9.544 ( 1.779 0.000 -1.940) 2.632 9.678 ( 2.991 0.000 -4.268) 5.211 9.743 ( -1.091 0.000 5.781) 5.883 9.807 ( -0.547 0.000 2.242) 2.308 9.980 ( -3.900 0.000 0.548) 3.938 10.014 ( -2.136 0.000 -0.431) 2.179 10.129 ( -4.649 0.000 4.060) 6.172 10.337 ( -4.593 0.000 -0.987) 4.698 10.388 ( -0.871 0.000 0.566) 1.039 10.425 ( 1.301 0.000 0.529) 1.404 10.499 ( -0.734 0.000 -0.525) 0.902 10.530 ( 0.720 0.000 -0.659) 0.977 ======================= Grid point 65 (23/60) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 11.866 0.000 4.514) 12.695 0.755 ( 13.395 0.000 -0.083) 13.395 1.045 ( -2.249 0.000 -2.985) 3.737 1.152 ( -2.886 0.000 0.219) 2.894 1.226 ( 2.081 0.000 -1.970) 2.866 1.289 ( 1.292 0.000 4.387) 4.573 1.424 ( -5.478 0.000 -2.636) 6.079 1.483 ( 1.909 0.000 -3.967) 4.402 1.551 ( 0.439 0.000 1.110) 1.194 1.657 ( -2.921 0.000 -1.674) 3.366 1.708 ( 0.266 0.000 -3.153) 3.164 1.745 ( 1.724 0.000 4.543) 4.859 1.831 ( -1.351 0.000 2.010) 2.422 1.881 ( -1.244 0.000 1.412) 1.882 1.937 ( 1.920 0.000 0.221) 1.933 1.948 ( 6.334 0.000 2.103) 6.674 2.027 ( -2.519 0.000 0.091) 2.521 2.107 ( -1.538 0.000 2.038) 2.553 2.133 ( -0.146 0.000 4.853) 4.855 2.201 ( -0.329 0.000 -1.654) 1.686 2.272 ( -3.557 0.000 1.435) 3.835 2.304 ( 1.182 0.000 2.749) 2.992 2.399 ( -0.134 0.000 2.140) 2.144 2.558 ( 1.358 0.000 -0.852) 1.603 2.606 ( -0.384 0.000 -1.300) 1.355 2.653 ( 0.644 0.000 1.231) 1.389 2.726 ( 4.102 0.000 -2.899) 5.023 2.773 ( 3.757 0.000 -1.892) 4.206 2.881 ( 1.311 0.000 -0.167) 1.322 2.898 ( 0.633 0.000 2.433) 2.514 2.942 ( 1.288 0.000 0.578) 1.412 3.032 ( 0.515 0.000 -0.496) 0.716 3.262 ( -1.124 0.000 -0.332) 1.172 3.283 ( 6.385 0.000 -2.153) 6.738 3.370 ( 0.158 0.000 -1.355) 1.364 3.419 ( 3.487 0.000 -2.126) 4.084 3.458 ( -1.863 0.000 0.678) 1.983 3.542 ( -1.487 0.000 -2.494) 2.904 3.820 ( -7.722 0.000 4.633) 9.005 4.121 ( -8.004 0.000 -3.513) 8.741 4.279 ( 2.387 0.000 -0.965) 2.575 4.320 ( 3.094 0.000 -2.974) 4.292 4.494 ( 0.344 0.000 4.609) 4.622 4.616 ( 1.361 0.000 0.378) 1.412 4.900 ( 1.201 0.000 1.132) 1.650 4.981 ( -1.544 0.000 -0.295) 1.572 5.017 ( -1.977 0.000 0.205) 1.988 5.052 ( -2.247 0.000 -0.497) 2.302 6.803 ( -0.817 0.000 0.331) 0.882 6.881 ( -1.624 0.000 -0.410) 1.675 6.934 ( 0.589 0.000 -1.694) 1.793 6.967 ( 0.206 0.000 -1.433) 1.448 7.437 ( -0.169 0.000 2.472) 2.478 7.540 ( -1.821 0.000 2.168) 2.831 7.628 ( 0.203 0.000 -2.644) 2.652 7.696 ( -1.069 0.000 -1.172) 1.586 8.080 ( 1.470 0.000 0.483) 1.547 8.092 ( 1.601 0.000 0.036) 1.602 8.166 ( -0.146 0.000 2.553) 2.557 8.256 ( -1.861 0.000 -1.336) 2.291 8.305 ( 2.048 0.000 0.919) 2.245 8.381 ( 1.545 0.000 3.206) 3.559 8.423 ( -0.304 0.000 -1.594) 1.622 8.506 ( -3.015 0.000 1.040) 3.190 8.887 ( 1.140 0.000 2.083) 2.375 8.976 ( -0.361 0.000 2.694) 2.718 9.100 ( 3.905 0.000 -0.667) 3.962 9.101 ( 5.750 0.000 -1.909) 6.059 9.197 ( 0.728 0.000 -0.983) 1.223 9.384 ( -0.449 0.000 -4.729) 4.751 9.424 ( 0.870 0.000 -0.697) 1.114 9.538 ( 1.603 0.000 -1.138) 1.965 9.587 ( 1.889 0.000 -2.022) 2.768 9.698 ( -1.781 0.000 3.412) 3.849 9.740 ( 0.593 0.000 -2.909) 2.969 9.772 ( -2.779 0.000 2.326) 3.624 9.888 ( -4.257 0.000 1.448) 4.497 9.957 ( -4.037 0.000 0.703) 4.098 10.037 ( -3.476 0.000 2.544) 4.308 10.211 ( -7.840 0.000 -1.316) 7.950 10.368 ( -0.957 0.000 1.794) 2.033 10.431 ( -1.056 0.000 1.310) 1.683 10.502 ( 1.098 0.000 -1.454) 1.822 10.542 ( 0.493 0.000 -1.222) 1.317 ======================= Grid point 66 (24/60) ======================= q-point: ( 0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 5.164 0.000 -1.467) 5.368 0.960 ( 6.366 0.000 -2.620) 6.884 0.996 ( -1.432 0.000 -3.699) 3.967 1.128 ( -0.939 0.000 -1.908) 2.126 1.229 ( -2.272 0.000 2.916) 3.696 1.317 ( 1.124 0.000 2.730) 2.952 1.399 ( 4.445 0.000 -1.295) 4.630 1.448 ( 0.235 0.000 -3.965) 3.972 1.601 ( 2.698 0.000 1.897) 3.298 1.623 ( -0.731 0.000 -1.300) 1.491 1.710 ( 0.227 0.000 -2.925) 2.934 1.734 ( -3.816 0.000 2.826) 4.748 1.788 ( -3.423 0.000 1.102) 3.596 1.846 ( -2.411 0.000 0.741) 2.522 1.931 ( 0.042 0.000 2.402) 2.402 1.983 ( -0.522 0.000 3.252) 3.293 2.029 ( -0.508 0.000 -0.672) 0.843 2.080 ( -0.620 0.000 3.009) 3.072 2.160 ( -1.087 0.000 1.795) 2.099 2.198 ( -1.172 0.000 1.677) 2.046 2.218 ( 1.225 0.000 0.477) 1.315 2.347 ( -2.091 0.000 0.021) 2.091 2.437 ( 7.267 0.000 3.806) 8.203 2.581 ( 0.106 0.000 -0.012) 0.107 2.619 ( 3.019 0.000 -0.300) 3.034 2.672 ( 2.622 0.000 0.476) 2.665 2.780 ( -1.046 0.000 -0.634) 1.223 2.831 ( 3.490 0.000 -2.492) 4.288 2.891 ( -1.147 0.000 0.365) 1.204 2.914 ( 1.111 0.000 1.097) 1.561 2.960 ( 0.640 0.000 0.496) 0.810 3.018 ( -1.895 0.000 -0.258) 1.912 3.263 ( 1.317 0.000 -0.190) 1.331 3.358 ( -1.490 0.000 -1.488) 2.106 3.421 ( -0.720 0.000 0.932) 1.177 3.444 ( 8.527 0.000 -1.581) 8.672 3.477 ( -0.664 0.000 -1.359) 1.513 3.538 ( 4.216 0.000 -2.905) 5.120 3.685 ( -5.763 0.000 3.392) 6.687 3.931 ( -10.727 0.000 -3.432) 11.262 4.339 ( 3.435 0.000 -0.145) 3.438 4.386 ( 3.024 0.000 -2.112) 3.688 4.497 ( 0.338 0.000 3.247) 3.265 4.609 ( -2.269 0.000 -0.373) 2.300 4.926 ( 1.389 0.000 0.750) 1.578 4.958 ( -0.457 0.000 0.253) 0.522 4.982 ( -1.561 0.000 0.280) 1.586 5.006 ( -2.268 0.000 -0.276) 2.285 6.790 ( -0.332 0.000 1.275) 1.317 6.832 ( -2.467 0.000 1.243) 2.763 6.954 ( 0.898 0.000 -2.715) 2.860 6.969 ( -0.004 0.000 -2.160) 2.160 7.443 ( 0.787 0.000 2.222) 2.357 7.501 ( -1.922 0.000 2.216) 2.933 7.637 ( 0.734 0.000 -1.908) 2.044 7.674 ( -1.059 0.000 -1.264) 1.649 8.114 ( 1.912 0.000 0.460) 1.967 8.128 ( 1.769 0.000 -0.027) 1.769 8.166 ( -0.123 0.000 1.091) 1.098 8.207 ( -2.642 0.000 -0.680) 2.728 8.351 ( 2.327 0.000 0.819) 2.467 8.397 ( 0.588 0.000 1.406) 1.524 8.428 ( -0.052 0.000 -1.174) 1.175 8.454 ( -2.270 0.000 -0.019) 2.270 8.914 ( 1.440 0.000 2.165) 2.600 8.965 ( -0.858 0.000 2.466) 2.611 9.163 ( 3.375 0.000 -3.764) 5.055 9.234 ( 4.341 0.000 -2.616) 5.069 9.255 ( 5.067 0.000 0.011) 5.067 9.362 ( 0.217 0.000 -4.832) 4.837 9.478 ( 3.707 0.000 1.362) 3.950 9.546 ( -2.326 0.000 2.671) 3.542 9.602 ( 0.486 0.000 -1.881) 1.942 9.660 ( -3.848 0.000 0.746) 3.920 9.704 ( -1.552 0.000 1.669) 2.279 9.727 ( 0.187 0.000 0.825) 0.846 9.801 ( -6.112 0.000 0.341) 6.121 9.912 ( 1.005 0.000 0.224) 1.030 9.991 ( -2.512 0.000 -0.027) 2.512 10.043 ( -7.784 0.000 -0.717) 7.817 10.357 ( -0.016 0.000 2.310) 2.310 10.399 ( -1.746 0.000 1.746) 2.469 10.526 ( 1.065 0.000 -1.562) 1.890 10.547 ( -0.004 0.000 -1.483) 1.483 ======================= Grid point 67 (25/60) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -2.095 0.000 -3.078) 3.724 0.943 ( 2.095 0.000 -3.078) 3.724 1.072 ( -3.503 0.000 -1.476) 3.801 1.072 ( 3.503 0.000 -1.476) 3.801 1.254 ( -4.178 0.000 -0.368) 4.195 1.254 ( 4.178 0.000 -0.368) 4.195 1.519 ( -2.236 0.000 -0.067) 2.237 1.519 ( 2.236 0.000 -0.067) 2.237 1.611 ( -5.085 0.000 1.445) 5.286 1.611 ( 5.085 0.000 1.445) 5.286 1.666 ( -3.411 0.000 0.011) 3.411 1.666 ( 3.411 0.000 0.011) 3.411 1.787 ( -3.229 0.000 -0.223) 3.237 1.787 ( 3.229 0.000 -0.223) 3.237 1.951 ( -2.051 0.000 1.821) 2.743 1.951 ( 2.051 0.000 1.821) 2.743 2.067 ( -1.768 0.000 2.122) 2.762 2.067 ( 1.768 0.000 2.122) 2.762 2.143 ( -2.150 0.000 1.835) 2.827 2.143 ( 2.150 0.000 1.835) 2.827 2.279 ( -3.581 0.000 1.335) 3.822 2.279 ( 3.581 0.000 1.335) 3.822 2.547 ( -3.405 0.000 -1.732) 3.820 2.547 ( 3.405 0.000 -1.732) 3.820 2.702 ( -3.780 0.000 2.559) 4.564 2.702 ( 3.780 0.000 2.559) 4.564 2.799 ( -6.214 0.000 0.804) 6.266 2.799 ( 6.214 0.000 0.804) 6.266 2.910 ( -2.444 0.000 -2.021) 3.171 2.910 ( 2.444 0.000 -2.021) 3.171 2.977 ( -1.511 0.000 0.632) 1.637 2.977 ( 1.511 0.000 0.632) 1.637 3.308 ( -2.894 0.000 -0.246) 2.905 3.308 ( 2.894 0.000 -0.246) 2.905 3.437 ( -2.003 0.000 -0.779) 2.150 3.437 ( 2.003 0.000 -0.779) 2.150 3.579 ( -5.232 0.000 0.660) 5.274 3.579 ( 5.232 0.000 0.660) 5.274 3.709 ( -10.985 0.000 -3.039) 11.398 3.709 ( 10.985 0.000 -3.039) 11.398 4.399 ( -1.918 0.000 -0.024) 1.918 4.399 ( 1.918 0.000 -0.024) 1.918 4.539 ( -3.849 0.000 0.413) 3.871 4.539 ( 3.849 0.000 0.413) 3.871 4.953 ( -1.258 0.000 0.334) 1.301 4.953 ( 1.258 0.000 0.334) 1.301 4.968 ( -1.318 0.000 0.182) 1.331 4.968 ( 1.318 0.000 0.182) 1.331 6.796 ( -1.027 0.000 1.508) 1.825 6.796 ( 1.027 0.000 1.508) 1.825 6.966 ( -0.355 0.000 -2.620) 2.644 6.966 ( 0.355 0.000 -2.620) 2.644 7.466 ( -1.508 0.000 2.163) 2.637 7.466 ( 1.508 0.000 2.163) 2.637 7.654 ( -0.954 0.000 -1.464) 1.747 7.654 ( 0.954 0.000 -1.464) 1.747 8.153 ( -1.320 0.000 0.060) 1.321 8.153 ( 1.320 0.000 0.060) 1.321 8.159 ( -1.571 0.000 0.254) 1.592 8.159 ( 1.571 0.000 0.254) 1.592 8.393 ( -1.616 0.000 0.415) 1.669 8.393 ( 1.616 0.000 0.415) 1.669 8.424 ( -0.204 0.000 -0.297) 0.361 8.424 ( 0.204 0.000 -0.297) 0.361 8.942 ( -1.370 0.000 2.315) 2.690 8.942 ( 1.370 0.000 2.315) 2.690 9.229 ( -2.943 0.000 -4.986) 5.789 9.229 ( 2.943 0.000 -4.986) 5.789 9.363 ( -4.241 0.000 0.164) 4.244 9.363 ( 4.241 0.000 0.164) 4.244 9.518 ( -2.780 0.000 0.003) 2.780 9.518 ( 2.780 0.000 0.003) 2.780 9.613 ( -4.039 0.000 0.899) 4.138 9.613 ( 4.039 0.000 0.899) 4.138 9.676 ( -1.089 0.000 2.517) 2.743 9.676 ( 1.089 0.000 2.517) 2.743 9.841 ( -7.149 0.000 -1.497) 7.304 9.841 ( 7.149 0.000 -1.497) 7.304 9.970 ( -1.996 0.000 -0.124) 2.000 9.970 ( 1.996 0.000 -0.124) 2.000 10.369 ( -1.175 0.000 2.197) 2.492 10.369 ( 1.175 0.000 2.197) 2.492 10.542 ( -0.534 0.000 -1.554) 1.644 10.542 ( 0.534 0.000 -1.554) 1.644 ======================= Grid point 72 (26/60) ======================= q-point: ( 0.00 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.356 ( 0.000 9.631 8.143) 12.612 0.556 ( 0.000 9.755 15.944) 18.691 0.984 ( 0.000 14.254 21.971) 26.190 1.102 ( 0.000 0.029 -3.785) 3.785 1.196 ( 0.000 -0.117 -0.118) 0.166 1.404 ( 0.000 -4.440 -2.030) 4.882 1.493 ( 0.000 -0.006 -5.361) 5.361 1.508 ( 0.000 0.627 -4.811) 4.852 1.518 ( 0.000 -1.617 -3.649) 3.991 1.589 ( 0.000 0.750 0.594) 0.957 1.677 ( 0.000 -0.086 -0.858) 0.862 1.753 ( 0.000 0.805 0.911) 1.216 1.821 ( 0.000 -0.403 -4.433) 4.451 1.865 ( 0.000 -1.254 2.576) 2.865 1.920 ( 0.000 -0.422 -2.019) 2.062 1.991 ( 0.000 -0.137 5.507) 5.509 2.062 ( 0.000 0.351 2.375) 2.401 2.119 ( 0.000 -0.580 -0.304) 0.655 2.192 ( 0.000 -1.039 -2.257) 2.484 2.241 ( 0.000 -0.743 -1.707) 1.861 2.271 ( 0.000 1.145 -1.359) 1.777 2.363 ( 0.000 -1.955 4.969) 5.340 2.428 ( 0.000 0.970 4.627) 4.727 2.516 ( 0.000 1.458 0.140) 1.465 2.535 ( 0.000 -2.451 -1.435) 2.840 2.598 ( 0.000 -1.573 -1.153) 1.950 2.641 ( 0.000 0.784 0.124) 0.793 2.723 ( 0.000 2.401 -2.467) 3.443 2.774 ( 0.000 1.870 -0.122) 1.874 2.874 ( 0.000 -2.426 -1.741) 2.986 2.942 ( 0.000 0.886 0.192) 0.906 3.007 ( 0.000 0.434 3.044) 3.075 3.159 ( 0.000 -2.534 -2.111) 3.298 3.283 ( 0.000 -1.732 0.550) 1.817 3.309 ( 0.000 0.121 -0.393) 0.411 3.362 ( 0.000 -1.602 -0.192) 1.613 3.516 ( 0.000 0.713 -0.303) 0.775 3.582 ( 0.000 1.028 -2.799) 2.981 4.030 ( 0.000 -3.965 -2.128) 4.500 4.154 ( 0.000 -4.072 -1.902) 4.494 4.240 ( 0.000 3.234 2.286) 3.960 4.424 ( 0.000 7.284 -2.253) 7.625 4.481 ( 0.000 -0.633 4.528) 4.572 4.586 ( 0.000 3.632 0.126) 3.634 4.898 ( 0.000 1.855 1.025) 2.119 4.997 ( 0.000 -1.851 -0.912) 2.064 5.041 ( 0.000 -2.435 0.638) 2.517 5.096 ( 0.000 -0.673 -0.704) 0.974 6.782 ( 0.000 0.447 -1.654) 1.714 6.840 ( 0.000 -0.067 -2.744) 2.745 6.933 ( 0.000 0.580 2.344) 2.415 7.001 ( 0.000 0.362 -0.279) 0.457 7.463 ( 0.000 0.372 2.529) 2.556 7.597 ( 0.000 -2.037 -0.861) 2.212 7.610 ( 0.000 1.834 -0.638) 1.941 7.713 ( 0.000 -0.575 -1.415) 1.528 8.041 ( 0.000 0.046 0.222) 0.226 8.087 ( 0.000 1.477 -0.582) 1.587 8.211 ( 0.000 -1.419 0.873) 1.666 8.231 ( 0.000 -0.697 -0.528) 0.874 8.277 ( 0.000 -0.323 0.868) 0.926 8.316 ( 0.000 -0.460 -0.829) 0.948 8.421 ( 0.000 -8.580 9.931) 13.124 8.562 ( 0.000 -3.132 1.814) 3.619 8.854 ( 0.000 -0.028 1.272) 1.272 8.903 ( 0.000 1.724 1.063) 2.025 8.955 ( 0.000 -1.450 2.160) 2.601 9.140 ( 0.000 -0.512 -1.210) 1.314 9.252 ( 0.000 0.736 -2.761) 2.858 9.349 ( 0.000 -0.970 -0.027) 0.971 9.425 ( 0.000 -1.213 -7.203) 7.304 9.473 ( 0.000 0.338 1.340) 1.382 9.506 ( 0.000 -0.651 -1.502) 1.637 9.668 ( 0.000 1.150 -0.715) 1.354 9.734 ( 0.000 -0.438 3.595) 3.621 9.828 ( 0.000 1.250 1.843) 2.227 10.022 ( 0.000 -0.132 0.291) 0.319 10.054 ( 0.000 1.519 -0.200) 1.532 10.201 ( 0.000 0.359 1.649) 1.687 10.352 ( 0.000 -1.912 -0.384) 1.950 10.414 ( 0.000 0.328 -0.212) 0.390 10.424 ( 0.000 1.609 -0.440) 1.668 10.490 ( 0.000 -0.753 0.694) 1.024 10.542 ( 0.000 0.968 -0.504) 1.092 ======================= Grid point 73 (27/60) ======================= q-point: ( 0.12 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 11.076 5.344 8.186) 14.773 0.614 ( 8.103 10.615 7.881) 15.506 1.091 ( 1.095 0.534 -4.322) 4.491 1.138 ( 2.761 3.829 7.399) 8.776 1.205 ( 5.123 2.939 6.072) 8.470 1.319 ( -4.722 -0.475 -0.428) 4.765 1.455 ( -1.117 0.208 -3.362) 3.548 1.512 ( -0.467 0.213 -4.047) 4.079 1.519 ( 0.115 -1.491 -3.191) 3.524 1.645 ( 3.143 -0.095 0.476) 3.180 1.716 ( 2.794 0.173 -0.329) 2.819 1.753 ( -1.999 0.936 -0.762) 2.336 1.819 ( 0.060 -1.006 -2.086) 2.316 1.871 ( 1.079 -0.556 1.601) 2.009 1.899 ( -2.599 0.013 -1.176) 2.852 1.954 ( -0.649 -0.035 3.006) 3.076 2.069 ( -1.710 -0.093 -0.174) 1.721 2.112 ( 0.836 0.412 2.227) 2.414 2.175 ( -0.319 0.845 0.193) 0.924 2.228 ( -1.500 -0.284 0.627) 1.650 2.284 ( -0.490 -0.587 0.924) 1.200 2.351 ( -1.037 0.777 2.136) 2.498 2.410 ( -0.012 1.099 2.647) 2.866 2.517 ( 1.123 -1.800 -1.599) 2.657 2.591 ( 2.975 -0.149 -0.346) 2.999 2.611 ( 0.901 -1.023 0.508) 1.455 2.662 ( 1.640 -0.274 0.915) 1.898 2.697 ( -0.143 0.936 -3.793) 3.909 2.834 ( 3.410 0.486 -0.352) 3.462 2.892 ( 1.713 -1.855 -1.128) 2.766 2.928 ( -0.778 1.032 1.146) 1.727 3.016 ( 0.590 0.373 1.309) 1.483 3.180 ( 2.612 -1.634 -1.662) 3.501 3.273 ( -1.108 -1.560 0.014) 1.914 3.331 ( 1.724 -0.695 -1.088) 2.154 3.376 ( 1.605 -0.553 0.216) 1.711 3.501 ( -1.457 0.672 -0.123) 1.610 3.573 ( -0.970 0.657 -2.537) 2.794 3.959 ( -6.067 -1.900 0.577) 6.383 4.128 ( -2.311 -4.606 -2.017) 5.534 4.268 ( 2.229 2.124 -0.203) 3.086 4.399 ( -2.368 5.939 -2.132) 6.740 4.492 ( 1.004 1.027 4.427) 4.655 4.604 ( 1.456 2.646 0.412) 3.048 4.903 ( 0.525 1.793 0.959) 2.100 4.988 ( -0.820 -1.688 -0.646) 1.985 5.026 ( -1.300 -2.173 0.580) 2.598 5.087 ( -1.024 -0.579 -0.769) 1.406 6.802 ( 0.624 -0.591 -1.376) 1.623 6.855 ( 1.452 -0.545 -2.726) 3.136 6.936 ( 0.050 0.141 1.401) 1.409 6.986 ( -1.261 0.556 -0.523) 1.474 7.453 ( -0.757 0.445 2.471) 2.623 7.593 ( -1.533 1.595 0.297) 2.232 7.600 ( 0.258 -1.988 -1.488) 2.496 7.706 ( -0.658 -0.665 -1.170) 1.498 8.050 ( 0.900 0.031 0.285) 0.945 8.096 ( 0.662 1.621 -0.582) 1.845 8.174 ( -2.463 -1.261 3.475) 4.442 8.241 ( 1.717 -0.633 -0.342) 1.862 8.290 ( -0.935 -1.314 0.011) 1.612 8.314 ( 1.889 -1.127 1.020) 2.425 8.428 ( 0.244 -2.551 3.726) 4.522 8.543 ( -1.846 -2.087 1.616) 3.220 8.867 ( 1.084 0.010 1.540) 1.883 8.944 ( 2.100 -0.893 2.219) 3.183 8.978 ( 3.362 -0.134 -0.028) 3.365 9.122 ( -0.672 1.606 -0.597) 1.840 9.226 ( -1.618 1.027 -2.119) 2.857 9.363 ( 0.886 -0.765 0.499) 1.273 9.422 ( -0.380 -1.278 -7.079) 7.203 9.478 ( 0.573 -2.118 -1.039) 2.428 9.535 ( 2.215 -0.143 -0.317) 2.242 9.689 ( 1.533 -0.340 -0.117) 1.574 9.730 ( -0.085 0.549 2.445) 2.507 9.829 ( -0.356 1.420 1.901) 2.400 9.986 ( -3.527 0.206 0.376) 3.553 10.019 ( -2.930 0.803 -0.380) 3.062 10.144 ( -4.879 0.748 2.826) 5.688 10.313 ( -4.042 -1.956 -0.807) 4.562 10.402 ( -1.433 0.975 0.324) 1.764 10.430 ( 0.704 0.369 0.555) 0.970 10.493 ( 0.300 -0.020 -0.112) 0.321 10.544 ( 0.253 0.836 -0.879) 1.239 ======================= Grid point 74 (28/60) ======================= q-point: ( 0.25 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( 11.280 2.094 6.276) 13.077 0.834 ( 10.907 7.042 -1.797) 13.106 1.075 ( -0.745 2.460 -2.080) 3.306 1.133 ( -1.127 -0.731 -1.080) 1.723 1.244 ( 1.607 0.948 -1.958) 2.705 1.312 ( 0.434 1.559 2.231) 2.756 1.455 ( -5.545 2.609 -2.286) 6.541 1.480 ( 0.272 -0.131 -3.190) 3.204 1.534 ( 1.700 -1.202 0.377) 2.116 1.646 ( -2.537 -1.338 -0.297) 2.883 1.698 ( -1.866 -0.914 -2.819) 3.502 1.765 ( 1.703 0.449 2.988) 3.469 1.805 ( -1.758 -1.982 2.932) 3.951 1.847 ( -1.121 -0.866 0.266) 1.441 1.966 ( 0.957 0.901 0.082) 1.317 1.982 ( 6.219 2.359 0.557) 6.674 2.036 ( 0.061 1.615 1.428) 2.157 2.105 ( -1.415 -0.739 1.577) 2.244 2.158 ( -1.077 1.896 1.987) 2.950 2.220 ( 0.622 2.155 1.910) 2.946 2.278 ( -0.832 0.471 1.394) 1.690 2.301 ( -0.667 0.680 1.955) 2.174 2.428 ( 0.451 2.099 1.185) 2.452 2.551 ( 1.531 -1.101 -1.587) 2.464 2.603 ( -0.472 -0.706 -1.627) 1.836 2.637 ( 0.853 -0.696 1.418) 1.796 2.714 ( 3.530 -0.896 -0.418) 3.666 2.739 ( 3.811 -1.786 -0.606) 4.252 2.866 ( -0.225 -1.246 -0.231) 1.287 2.924 ( 0.766 0.008 0.440) 0.883 2.943 ( 2.392 0.650 0.554) 2.540 3.019 ( -0.467 -1.140 -0.307) 1.270 3.249 ( -0.025 -0.957 -0.374) 1.028 3.279 ( 6.203 -0.202 -1.507) 6.387 3.354 ( 0.855 -0.891 -1.249) 1.757 3.428 ( 2.572 0.176 -0.140) 2.582 3.466 ( -1.315 0.776 0.094) 1.530 3.544 ( -1.757 -0.001 -2.006) 2.666 3.826 ( -6.711 0.457 2.576) 7.203 4.058 ( -5.196 -4.215 -2.831) 7.265 4.314 ( 2.182 1.615 -1.561) 3.131 4.360 ( -0.449 3.716 -1.133) 3.911 4.506 ( 0.143 1.185 3.536) 3.732 4.626 ( 0.292 0.843 -0.032) 0.893 4.918 ( 0.968 1.498 0.793) 1.952 4.968 ( -1.039 -1.029 -0.162) 1.471 4.998 ( -1.409 -1.435 0.583) 2.094 5.055 ( -1.982 -0.113 -0.714) 2.110 6.799 ( -0.557 -0.259 0.252) 0.664 6.866 ( -1.032 -1.225 -0.378) 1.646 6.935 ( 0.285 0.086 -1.333) 1.366 6.966 ( -0.567 -0.063 -1.135) 1.271 7.443 ( -0.090 0.590 2.239) 2.317 7.556 ( -2.090 1.184 1.315) 2.739 7.608 ( 0.564 -1.557 -1.744) 2.405 7.689 ( -1.003 -0.646 -1.055) 1.593 8.074 ( 1.430 -0.132 0.364) 1.481 8.111 ( 0.985 1.238 -0.166) 1.591 8.153 ( -0.010 -1.131 2.102) 2.387 8.241 ( -2.041 -1.299 -1.346) 2.768 8.302 ( 2.430 -0.251 0.996) 2.638 8.355 ( 1.867 -1.782 2.054) 3.298 8.436 ( 0.457 0.698 -0.267) 0.876 8.498 ( -2.395 -0.639 0.932) 2.648 8.891 ( 1.287 0.349 1.837) 2.270 8.964 ( 0.432 -0.996 2.040) 2.311 9.075 ( 4.922 -0.288 -0.901) 5.012 9.141 ( 3.054 1.536 -1.664) 3.802 9.218 ( 1.281 1.683 -1.301) 2.483 9.375 ( -0.419 -0.877 -3.501) 3.633 9.417 ( 0.991 -0.819 -0.960) 1.605 9.499 ( 1.448 -3.166 -1.450) 3.771 9.580 ( 2.047 -0.214 -0.412) 2.099 9.693 ( -0.900 -0.686 3.498) 3.676 9.745 ( 0.475 0.942 -2.578) 2.786 9.797 ( -2.891 1.901 1.908) 3.952 9.893 ( -4.663 0.317 1.212) 4.828 9.960 ( -3.270 0.225 -0.541) 3.322 10.040 ( -4.625 0.232 2.833) 5.429 10.195 ( -7.568 -1.452 -1.280) 7.811 10.375 ( -1.162 0.607 1.763) 2.197 10.425 ( -1.163 -0.487 1.507) 1.965 10.509 ( 1.212 0.687 -1.329) 1.925 10.550 ( 0.261 0.550 -1.367) 1.497 ======================= Grid point 75 (29/60) ======================= q-point: ( 0.38 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 6.497 2.445 0.235) 6.945 0.980 ( 4.502 2.701 -2.641) 5.877 1.063 ( -0.054 4.974 -2.761) 5.689 1.170 ( 1.655 3.412 -1.271) 3.999 1.246 ( -2.161 1.456 2.114) 3.356 1.328 ( -0.753 1.199 0.275) 1.442 1.395 ( 3.424 -0.229 -0.833) 3.532 1.447 ( 0.278 -0.074 -3.441) 3.453 1.574 ( 1.063 -2.222 0.883) 2.617 1.618 ( 0.390 -0.760 -0.040) 0.855 1.675 ( -1.602 -2.622 -1.779) 3.550 1.715 ( -4.602 -2.134 1.177) 5.207 1.787 ( -0.829 0.090 2.134) 2.291 1.855 ( -0.887 0.623 1.434) 1.797 1.943 ( -0.923 1.213 0.704) 1.679 1.995 ( 0.374 1.019 1.095) 1.542 2.058 ( -1.761 1.310 -0.002) 2.195 2.093 ( -0.112 1.336 2.281) 2.646 2.142 ( -0.931 -0.769 1.964) 2.305 2.206 ( -3.084 0.884 0.058) 3.209 2.257 ( 1.903 3.064 1.254) 3.818 2.367 ( -0.706 1.532 0.365) 1.725 2.459 ( 5.084 1.848 2.595) 6.000 2.571 ( 0.186 -0.743 -0.411) 0.869 2.607 ( 2.068 -1.220 0.821) 2.537 2.676 ( 4.575 0.642 0.071) 4.621 2.769 ( -0.508 -0.850 -0.239) 1.019 2.807 ( 3.221 -1.779 -1.029) 3.822 2.856 ( 0.470 -2.069 1.622) 2.671 2.922 ( -1.522 -0.634 -0.283) 1.673 2.978 ( 0.949 1.082 0.458) 1.510 3.002 ( -0.947 -0.958 0.159) 1.356 3.262 ( 1.606 -0.012 -0.335) 1.641 3.345 ( -0.368 -1.122 -1.786) 2.141 3.410 ( -1.046 -0.918 1.031) 1.732 3.454 ( 7.135 0.683 -1.524) 7.328 3.473 ( -0.830 -0.078 -0.465) 0.954 3.552 ( 4.428 0.869 -1.861) 4.881 3.705 ( -5.220 1.790 1.903) 5.838 3.913 ( -9.125 -1.604 -3.063) 9.758 4.354 ( 2.402 1.210 -0.276) 2.704 4.394 ( 2.652 0.836 -1.408) 3.116 4.498 ( -0.501 0.145 2.624) 2.676 4.601 ( -2.896 -0.729 -0.456) 3.021 4.938 ( 0.893 0.756 0.593) 1.312 4.958 ( 0.263 0.266 0.202) 0.425 4.973 ( -1.047 -0.564 0.442) 1.268 5.014 ( -2.047 0.451 -0.454) 2.144 6.789 ( -0.252 -0.044 1.185) 1.213 6.828 ( -2.141 -0.389 1.165) 2.468 6.946 ( 0.557 -0.655 -2.511) 2.654 6.959 ( -0.235 -0.816 -1.865) 2.049 7.451 ( 0.919 0.790 2.052) 2.383 7.514 ( -2.025 1.080 1.732) 2.875 7.624 ( 1.009 -1.138 -1.498) 2.134 7.668 ( -1.076 -0.616 -1.227) 1.744 8.104 ( 1.620 -0.497 0.304) 1.721 8.136 ( 1.387 0.360 -0.051) 1.434 8.154 ( -0.195 -0.947 0.618) 1.147 8.196 ( -2.111 -0.901 -0.625) 2.379 8.350 ( 2.217 -0.074 1.073) 2.464 8.386 ( 1.157 -0.808 0.911) 1.680 8.436 ( -0.464 0.509 -0.269) 0.739 8.456 ( -1.730 0.167 0.033) 1.738 8.918 ( 1.367 0.366 1.968) 2.424 8.963 ( -0.559 -0.199 2.325) 2.400 9.152 ( 3.431 -0.601 -3.215) 4.740 9.224 ( 3.021 -0.813 -2.843) 4.227 9.283 ( 4.704 2.043 -0.678) 5.174 9.362 ( 0.734 0.058 -3.591) 3.666 9.467 ( 3.168 -1.136 1.401) 3.645 9.520 ( 0.136 -2.251 0.714) 2.365 9.596 ( -1.073 -0.025 -0.255) 1.103 9.680 ( -1.034 1.134 -0.125) 1.540 9.705 ( -2.302 0.219 0.866) 2.469 9.739 ( -1.471 1.213 2.787) 3.377 9.813 ( -5.147 0.956 -0.682) 5.280 9.910 ( 0.082 -0.103 0.028) 0.135 9.982 ( -2.321 -0.905 0.333) 2.514 10.029 ( -7.943 -1.213 -0.684) 8.064 10.361 ( -0.166 0.360 2.338) 2.372 10.396 ( -1.538 -0.309 1.960) 2.510 10.532 ( 0.936 0.480 -1.598) 1.913 10.552 ( -0.106 0.347 -1.578) 1.619 ======================= Grid point 76 (30/60) ======================= q-point: (-0.50 0.17 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.999 ( -2.763 4.719 -2.436) 5.986 0.999 ( 2.763 4.719 -2.436) 5.986 1.107 ( -4.453 3.030 -1.006) 5.479 1.107 ( 4.453 3.030 -1.006) 5.479 1.272 ( -3.654 1.549 -0.584) 4.012 1.272 ( 3.654 1.549 -0.584) 4.012 1.498 ( -2.825 -2.123 -0.697) 3.602 1.498 ( 2.825 -2.123 -0.697) 3.602 1.583 ( -3.759 -1.864 1.665) 4.514 1.583 ( 3.759 -1.864 1.665) 4.514 1.652 ( -2.342 -1.340 -0.453) 2.736 1.652 ( 2.342 -1.340 -0.453) 2.736 1.800 ( -2.600 1.042 0.906) 2.944 1.800 ( 2.600 1.042 0.906) 2.944 1.967 ( -2.312 1.291 0.845) 2.779 1.967 ( 2.312 1.291 0.845) 2.779 2.079 ( -1.551 0.790 0.972) 1.994 2.079 ( 1.551 0.790 0.972) 1.994 2.142 ( -2.409 0.351 1.605) 2.916 2.142 ( 2.409 0.351 1.605) 2.916 2.308 ( -3.218 2.429 1.587) 4.333 2.308 ( 3.218 2.429 1.587) 4.333 2.538 ( -2.828 -0.788 -1.670) 3.377 2.538 ( 2.828 -0.788 -1.670) 3.377 2.691 ( -4.686 -0.738 2.025) 5.157 2.691 ( 4.686 -0.738 2.025) 5.157 2.809 ( -5.491 0.388 1.002) 5.595 2.809 ( 5.491 0.388 1.002) 5.595 2.882 ( -2.764 -2.124 -0.677) 3.551 2.882 ( 2.764 -2.124 -0.677) 3.551 2.986 ( -0.337 0.661 0.409) 0.847 2.986 ( 0.337 0.661 0.409) 0.847 3.308 ( -2.665 0.027 -0.259) 2.678 3.308 ( 2.665 0.027 -0.259) 2.678 3.422 ( -2.133 -1.304 -0.828) 2.634 3.422 ( 2.133 -1.304 -0.828) 2.634 3.593 ( -4.861 1.125 0.579) 5.023 3.593 ( 4.861 1.125 0.579) 5.023 3.717 ( -9.513 0.663 -2.745) 9.924 3.717 ( 9.513 0.663 -2.745) 9.924 4.405 ( -1.956 0.618 -0.028) 2.051 4.405 ( 1.956 0.618 -0.028) 2.051 4.527 ( -3.656 -1.081 0.360) 3.829 4.527 ( 3.656 -1.081 0.360) 3.829 4.954 ( -0.847 0.096 0.409) 0.945 4.954 ( 0.847 0.096 0.409) 0.945 4.978 ( -1.491 0.779 -0.038) 1.683 4.978 ( 1.491 0.779 -0.038) 1.683 6.796 ( -0.971 -0.054 1.433) 1.732 6.796 ( 0.971 -0.054 1.433) 1.732 6.954 ( -0.301 -0.990 -2.392) 2.606 6.954 ( 0.301 -0.990 -2.392) 2.606 7.477 ( -1.632 0.986 1.934) 2.716 7.477 ( 1.632 0.986 1.934) 2.716 7.646 ( -1.138 -0.795 -1.359) 1.942 7.646 ( 1.138 -0.795 -1.359) 1.942 8.136 ( -1.462 -0.960 0.030) 1.749 8.136 ( 1.462 -0.960 0.030) 1.749 8.163 ( -1.308 -0.122 0.019) 1.314 8.163 ( 1.308 -0.122 0.019) 1.314 8.387 ( -1.280 -0.417 0.676) 1.507 8.387 ( 1.280 -0.417 0.676) 1.507 8.433 ( -0.566 0.546 -0.149) 0.801 8.433 ( 0.566 0.546 -0.149) 0.801 8.944 ( -1.228 0.187 2.245) 2.566 8.944 ( 1.228 0.187 2.245) 2.566 9.217 ( -2.689 -1.071 -4.488) 5.340 9.217 ( 2.689 -1.071 -4.488) 5.340 9.372 ( -3.120 0.828 -0.124) 3.230 9.372 ( 3.120 0.828 -0.124) 3.230 9.503 ( -2.533 -1.335 0.121) 2.866 9.503 ( 2.533 -1.335 0.121) 2.866 9.620 ( -5.059 0.698 0.261) 5.113 9.620 ( 5.059 0.698 0.261) 5.113 9.694 ( -1.372 1.426 2.605) 3.271 9.694 ( 1.372 1.426 2.605) 3.271 9.837 ( -6.670 -0.254 -1.553) 6.853 9.837 ( 6.670 -0.254 -1.553) 6.853 9.958 ( -1.713 -1.134 0.064) 2.055 9.958 ( 1.713 -1.134 0.064) 2.055 10.369 ( -0.969 0.055 2.313) 2.508 10.369 ( 0.969 0.055 2.313) 2.508 10.546 ( -0.508 0.314 -1.631) 1.737 10.546 ( 0.508 0.314 -1.631) 1.737 ======================= Grid point 81 (31/60) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( 0.000 17.336 -6.277) 18.437 0.794 ( 0.000 11.765 8.631) 14.591 1.085 ( 0.000 0.665 -8.185) 8.212 1.193 ( 0.000 -0.629 -0.553) 0.838 1.217 ( 0.000 0.143 8.078) 8.079 1.289 ( 0.000 -3.457 -1.965) 3.976 1.474 ( 0.000 -0.846 -3.385) 3.489 1.490 ( 0.000 -1.335 -4.028) 4.244 1.531 ( 0.000 2.955 2.320) 3.757 1.636 ( 0.000 1.462 -0.097) 1.466 1.673 ( 0.000 -0.332 0.330) 0.469 1.758 ( 0.000 1.705 4.231) 4.562 1.802 ( 0.000 -1.129 -1.674) 2.019 1.859 ( 0.000 -0.264 3.165) 3.176 1.889 ( 0.000 -2.245 -1.128) 2.513 1.991 ( 0.000 0.852 1.455) 1.686 2.050 ( 0.000 -1.605 2.297) 2.803 2.083 ( 0.000 -3.070 0.071) 3.071 2.186 ( 0.000 0.402 -1.211) 1.276 2.234 ( 0.000 0.152 -1.784) 1.790 2.287 ( 0.000 -0.055 0.415) 0.418 2.313 ( 0.000 -1.854 -3.509) 3.969 2.432 ( 0.000 0.529 4.245) 4.278 2.518 ( 0.000 -1.814 0.014) 1.815 2.567 ( 0.000 2.848 1.772) 3.354 2.606 ( 0.000 2.869 -0.569) 2.925 2.657 ( 0.000 1.170 0.760) 1.395 2.759 ( 0.000 0.756 -1.020) 1.270 2.800 ( 0.000 0.357 -1.159) 1.212 2.828 ( 0.000 -1.262 -0.817) 1.503 2.935 ( 0.000 -0.706 -0.679) 0.980 3.018 ( 0.000 -1.286 0.850) 1.542 3.132 ( 0.000 1.326 2.465) 2.799 3.241 ( 0.000 -2.015 1.087) 2.289 3.298 ( 0.000 -1.218 -0.874) 1.499 3.323 ( 0.000 -1.747 1.174) 2.105 3.532 ( 0.000 0.817 -0.094) 0.822 3.587 ( 0.000 -0.916 -0.275) 0.957 3.967 ( 0.000 -1.001 -5.091) 5.189 4.069 ( 0.000 -4.001 -3.992) 5.651 4.326 ( 0.000 4.442 4.711) 6.475 4.456 ( 0.000 -1.179 3.363) 3.564 4.584 ( 0.000 6.576 -1.001) 6.652 4.665 ( 0.000 3.316 -1.250) 3.544 4.927 ( 0.000 -0.447 -0.370) 0.580 4.949 ( 0.000 -2.210 -0.534) 2.274 4.994 ( 0.000 -0.726 1.663) 1.814 5.066 ( 0.000 -1.943 -0.447) 1.994 6.795 ( 0.000 0.768 -1.663) 1.831 6.833 ( 0.000 -0.689 -2.456) 2.551 6.951 ( 0.000 1.263 1.712) 2.128 7.003 ( 0.000 -0.442 -0.331) 0.552 7.475 ( 0.000 0.802 1.900) 2.062 7.545 ( 0.000 -2.515 0.344) 2.539 7.645 ( 0.000 1.389 -0.715) 1.562 7.695 ( 0.000 -1.005 -0.651) 1.197 8.054 ( 0.000 1.086 0.422) 1.165 8.104 ( 0.000 -0.240 0.717) 0.756 8.181 ( 0.000 -0.763 1.596) 1.769 8.228 ( 0.000 -2.472 1.601) 2.945 8.232 ( 0.000 0.743 -1.649) 1.809 8.301 ( 0.000 -1.427 -0.995) 1.740 8.374 ( 0.000 1.471 3.534) 3.828 8.488 ( 0.000 -3.524 1.135) 3.702 8.864 ( 0.000 0.924 1.008) 1.368 8.916 ( 0.000 -1.064 2.760) 2.958 8.967 ( 0.000 2.866 -0.654) 2.940 9.104 ( 0.000 -2.611 -0.321) 2.631 9.275 ( 0.000 1.423 -2.779) 3.122 9.331 ( 0.000 -0.750 -2.200) 2.324 9.395 ( 0.000 -1.348 -5.699) 5.856 9.425 ( 0.000 -2.811 -2.188) 3.562 9.542 ( 0.000 2.446 4.124) 4.795 9.648 ( 0.000 -2.233 4.633) 5.143 9.767 ( 0.000 2.643 -0.897) 2.791 9.842 ( 0.000 -0.159 0.211) 0.264 10.029 ( 0.000 0.981 1.233) 1.575 10.081 ( 0.000 0.341 0.721) 0.798 10.203 ( 0.000 0.700 0.741) 1.019 10.302 ( 0.000 -2.685 -0.495) 2.730 10.428 ( 0.000 0.707 -0.478) 0.853 10.447 ( 0.000 0.115 -0.845) 0.852 10.497 ( 0.000 1.561 1.342) 2.059 10.551 ( 0.000 -0.167 -0.283) 0.329 ======================= Grid point 82 (32/60) ======================= q-point: ( 0.12 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( 2.417 11.280 3.813) 12.150 0.876 ( 6.698 12.463 0.551) 14.159 1.078 ( -1.192 -2.482 -3.498) 4.452 1.166 ( -0.276 0.723 -2.266) 2.395 1.238 ( 0.522 -0.836 -0.356) 1.048 1.323 ( 1.877 -0.727 -1.004) 2.250 1.458 ( -1.515 -1.787 -1.411) 2.735 1.471 ( 0.749 0.089 -1.103) 1.337 1.560 ( 1.530 2.558 0.138) 2.984 1.642 ( 0.082 -0.910 0.146) 0.925 1.704 ( 1.000 -0.767 0.150) 1.269 1.774 ( -1.953 1.125 -0.880) 2.419 1.787 ( -0.412 -0.869 1.581) 1.851 1.873 ( 1.830 -0.453 2.293) 2.969 1.914 ( 3.634 1.472 -0.819) 4.005 1.963 ( -1.374 1.814 1.751) 2.872 2.060 ( -0.164 -0.909 1.464) 1.731 2.102 ( 0.982 -1.251 1.028) 1.894 2.183 ( 0.440 -0.208 1.028) 1.138 2.225 ( -1.657 -0.118 -0.942) 1.910 2.271 ( 3.133 -0.493 0.289) 3.185 2.339 ( 0.351 -2.616 -2.389) 3.561 2.442 ( 0.653 2.895 3.411) 4.522 2.509 ( -0.588 0.370 -1.779) 1.910 2.592 ( 0.786 0.385 0.843) 1.215 2.612 ( 1.494 0.940 0.933) 1.996 2.662 ( 0.230 0.571 1.429) 1.556 2.727 ( -1.530 1.255 -0.945) 2.193 2.830 ( 1.233 -0.553 -1.147) 1.772 2.847 ( 2.320 -1.944 -0.736) 3.115 2.933 ( 0.025 0.044 0.477) 0.480 3.009 ( -0.798 -1.762 0.184) 1.943 3.172 ( 3.808 1.305 1.417) 4.268 3.240 ( -0.035 -1.413 0.416) 1.474 3.307 ( 1.218 -0.962 -0.687) 1.697 3.358 ( 2.971 -1.378 1.206) 3.490 3.517 ( -1.491 0.797 0.039) 1.691 3.571 ( -1.595 -1.112 -0.239) 1.959 3.929 ( -3.468 -0.066 -3.626) 5.018 4.040 ( -2.648 -3.907 -3.347) 5.787 4.334 ( 0.797 3.751 2.868) 4.788 4.447 ( -1.152 -0.613 2.375) 2.710 4.576 ( -0.754 5.661 -0.430) 5.727 4.663 ( -0.380 2.339 -0.994) 2.570 4.929 ( 0.202 -0.647 -0.105) 0.686 4.949 ( 0.050 -1.587 -0.392) 1.635 4.987 ( -0.551 -0.222 1.481) 1.595 5.060 ( -0.609 -1.767 -0.567) 1.953 6.800 ( 0.230 0.398 -1.104) 1.196 6.838 ( 0.385 -1.019 -1.813) 2.115 6.948 ( -0.347 1.012 0.853) 1.368 6.990 ( -1.193 -0.335 -0.543) 1.353 7.467 ( -0.540 0.964 1.792) 2.106 7.545 ( 0.028 -2.651 -0.162) 2.656 7.632 ( -1.197 1.654 -0.075) 2.043 7.688 ( -0.674 -1.015 -0.615) 1.365 8.061 ( 0.679 0.933 0.401) 1.221 8.113 ( 0.698 -0.669 0.793) 1.251 8.160 ( -1.873 0.846 1.137) 2.349 8.225 ( 0.902 -0.957 -0.525) 1.416 8.255 ( 1.201 -1.315 0.405) 1.826 8.282 ( -0.267 -1.621 0.341) 1.678 8.417 ( 2.630 0.929 1.733) 3.283 8.494 ( 0.139 -2.328 0.980) 2.529 8.875 ( 1.115 0.743 1.149) 1.765 8.922 ( 0.593 -1.227 1.913) 2.349 9.006 ( 3.606 2.433 -0.487) 4.377 9.118 ( 1.357 -1.652 -0.925) 2.329 9.256 ( -1.159 1.772 -1.968) 2.891 9.335 ( 0.431 -1.573 -1.360) 2.123 9.393 ( -0.327 -1.116 -5.270) 5.397 9.425 ( -0.054 -2.523 -1.579) 2.977 9.556 ( 1.401 1.872 2.731) 3.595 9.653 ( 0.488 -2.284 4.379) 4.963 9.775 ( 0.701 2.716 -1.306) 3.094 9.849 ( 0.353 0.105 0.255) 0.448 9.991 ( -3.594 0.663 1.031) 3.797 10.036 ( -4.098 0.095 0.747) 4.167 10.160 ( -4.075 1.270 1.100) 4.408 10.263 ( -3.802 -2.638 -0.809) 4.698 10.420 ( -1.302 0.610 0.406) 1.494 10.433 ( -0.704 -0.078 0.682) 0.983 10.510 ( 0.955 1.439 -0.095) 1.730 10.553 ( 0.214 -0.066 -0.830) 0.859 ======================= Grid point 83 (33/60) ======================= q-point: ( 0.25 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 8.108 5.223 5.798) 11.253 0.979 ( 2.658 2.913 -1.109) 4.097 1.115 ( 5.974 3.571 -0.387) 6.971 1.173 ( 0.573 3.774 -2.865) 4.773 1.259 ( 1.678 0.550 -2.068) 2.719 1.336 ( 1.087 0.497 -1.811) 2.170 1.448 ( -0.107 -1.671 -1.409) 2.188 1.508 ( 1.222 -0.568 0.331) 1.387 1.538 ( -4.569 2.488 -3.486) 6.263 1.613 ( -2.615 -1.693 0.215) 3.123 1.651 ( -3.394 -3.054 -1.187) 4.718 1.722 ( -2.519 -2.699 -0.963) 3.815 1.804 ( 0.345 1.525 4.109) 4.397 1.861 ( -0.394 0.907 2.180) 2.394 1.958 ( 1.029 -0.529 0.815) 1.415 2.008 ( 0.221 -1.149 0.421) 1.243 2.079 ( -1.031 0.188 0.164) 1.061 2.101 ( 3.309 2.470 0.901) 4.226 2.185 ( -1.348 1.130 0.097) 1.761 2.267 ( 5.881 0.715 1.422) 6.092 2.291 ( -1.518 1.264 -1.930) 2.762 2.365 ( 1.155 3.915 1.650) 4.402 2.460 ( 1.665 0.427 -1.161) 2.074 2.519 ( 2.190 0.204 -0.163) 2.205 2.593 ( -1.054 -0.081 0.749) 1.296 2.625 ( 0.784 -1.019 0.093) 1.289 2.694 ( 2.462 -0.670 2.707) 3.720 2.729 ( 2.448 0.060 1.627) 2.940 2.832 ( -1.061 -1.128 -1.183) 1.949 2.900 ( 1.807 -1.849 -1.339) 2.912 2.946 ( 1.492 -0.338 1.801) 2.363 2.989 ( -0.820 -1.504 0.549) 1.799 3.237 ( 1.176 -0.092 -0.364) 1.235 3.270 ( 3.633 -0.945 -1.500) 4.043 3.352 ( 3.854 1.088 0.527) 4.039 3.423 ( 2.524 -0.638 0.989) 2.785 3.483 ( -1.010 0.689 -0.040) 1.224 3.529 ( -2.259 -1.527 -0.163) 2.732 3.845 ( -4.589 1.682 -1.250) 5.045 3.973 ( -4.088 -3.758 -2.727) 6.187 4.356 ( 1.278 2.304 0.427) 2.670 4.415 ( -1.496 0.788 0.978) 1.953 4.553 ( -1.697 3.266 0.464) 3.710 4.641 ( -2.087 0.145 -0.853) 2.259 4.934 ( 0.316 -0.562 0.428) 0.774 4.954 ( 0.416 -0.796 -0.003) 0.898 4.978 ( -0.255 0.863 0.844) 1.234 5.042 ( -1.152 -1.095 -0.693) 1.734 6.798 ( -0.365 0.272 0.142) 0.476 6.838 ( -0.618 -1.368 -0.141) 1.508 6.939 ( -0.442 0.377 -0.995) 1.152 6.962 ( -1.361 -0.371 -1.039) 1.751 7.462 ( 0.185 1.271 1.555) 2.017 7.545 ( -0.106 -2.238 -0.507) 2.297 7.607 ( -1.018 1.593 0.545) 1.967 7.670 ( -1.000 -1.078 -0.686) 1.623 8.078 ( 1.032 0.567 0.354) 1.229 8.124 ( 0.242 -1.304 1.260) 1.829 8.140 ( -0.002 1.320 -0.678) 1.484 8.208 ( -1.898 -1.709 -1.283) 2.858 8.297 ( 2.922 -0.167 1.150) 3.145 8.320 ( 2.724 -1.395 1.483) 3.402 8.449 ( 0.524 0.628 0.473) 0.945 8.482 ( -1.210 -0.820 0.732) 1.635 8.902 ( 1.424 0.699 1.353) 2.085 8.941 ( 1.167 -1.080 1.255) 2.026 9.089 ( 3.933 1.432 -1.026) 4.310 9.154 ( 2.287 -0.444 -2.002) 3.072 9.260 ( 2.033 2.271 -1.447) 3.374 9.353 ( 1.048 -1.155 -0.681) 1.702 9.388 ( 0.521 -1.590 -2.437) 2.956 9.428 ( 0.705 -3.073 -1.048) 3.323 9.592 ( 1.882 1.327 0.989) 2.506 9.667 ( 0.750 -1.658 2.840) 3.373 9.783 ( -0.659 2.277 -1.677) 2.904 9.836 ( -2.116 1.273 0.642) 2.552 9.897 ( -5.126 0.279 1.283) 5.291 9.957 ( -2.808 -0.910 -0.035) 2.952 10.054 ( -6.164 1.442 1.525) 6.511 10.153 ( -7.091 -2.373 -1.115) 7.560 10.390 ( -1.370 0.703 1.801) 2.370 10.414 ( -1.259 -0.499 1.820) 2.268 10.529 ( 0.917 1.095 -1.297) 1.930 10.558 ( 0.144 0.041 -1.464) 1.472 ======================= Grid point 84 (34/60) ======================= q-point: ( 0.38 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 8.414 3.412 2.178) 9.337 1.044 ( 4.450 2.041 -0.217) 4.901 1.175 ( 0.967 5.110 -1.516) 5.417 1.254 ( 3.562 3.878 -0.188) 5.269 1.275 ( -0.253 1.508 -0.226) 1.545 1.363 ( -2.910 0.461 -0.300) 2.961 1.400 ( -1.183 1.453 -4.594) 4.962 1.446 ( -0.258 0.265 -0.092) 0.381 1.523 ( -0.642 -2.165 -0.926) 2.441 1.580 ( 0.828 -2.936 0.043) 3.050 1.617 ( -2.021 -2.502 -0.245) 3.226 1.658 ( -3.324 -2.753 -0.479) 4.343 1.802 ( 0.391 1.665 2.876) 3.346 1.867 ( -0.380 0.208 2.036) 2.082 1.972 ( 0.274 1.176 -0.394) 1.270 2.008 ( 0.394 -0.353 -1.007) 1.138 2.063 ( 0.036 0.207 1.808) 1.820 2.104 ( -1.988 -0.667 1.254) 2.443 2.165 ( -0.654 2.597 0.185) 2.685 2.229 ( -3.407 0.611 -2.475) 4.256 2.333 ( 1.368 3.742 0.230) 3.991 2.407 ( -0.302 2.180 0.576) 2.275 2.481 ( 1.352 -0.321 -0.639) 1.530 2.552 ( -1.676 -1.247 -0.117) 2.092 2.604 ( 4.006 1.755 2.125) 4.862 2.683 ( 5.117 -0.481 -0.299) 5.148 2.745 ( 2.394 -1.430 1.521) 3.177 2.773 ( -1.567 -2.197 0.346) 2.720 2.822 ( 2.818 0.184 3.053) 4.159 2.891 ( -2.111 -1.834 -0.100) 2.798 2.974 ( 1.281 -0.329 1.164) 1.761 3.004 ( 1.223 0.027 0.326) 1.266 3.268 ( 2.076 0.597 -0.539) 2.226 3.318 ( 1.564 -1.380 -1.994) 2.886 3.394 ( -2.113 -0.194 1.138) 2.407 3.441 ( -1.840 -1.481 -0.761) 2.482 3.498 ( 5.909 1.857 0.083) 6.194 3.558 ( 4.877 -0.425 -0.097) 4.897 3.755 ( -4.342 2.703 -0.503) 5.139 3.869 ( -6.463 -2.392 -2.342) 7.279 4.383 ( 1.551 1.415 -0.025) 2.100 4.415 ( 1.668 0.647 -0.103) 1.792 4.508 ( -2.616 1.011 0.888) 2.942 4.578 ( -4.016 -1.429 -0.624) 4.308 4.944 ( 0.673 0.085 0.593) 0.901 4.960 ( 0.045 -0.563 0.490) 0.748 4.980 ( 0.472 1.355 -0.078) 1.437 5.017 ( -1.264 -0.184 -0.600) 1.411 6.791 ( -0.256 0.214 1.029) 1.081 6.815 ( -1.352 -0.750 1.010) 1.846 6.932 ( -0.242 -0.498 -1.945) 2.022 6.941 ( -0.736 -0.791 -1.650) 1.973 7.476 ( 1.143 1.509 1.500) 2.415 7.533 ( -1.188 0.129 0.756) 1.414 7.603 ( 0.630 -0.297 -0.506) 0.861 7.649 ( -1.188 -1.193 -0.927) 1.923 8.100 ( 1.121 0.145 0.210) 1.150 8.129 ( 0.168 -0.950 0.487) 1.081 8.145 ( 0.310 0.209 -0.771) 0.857 8.174 ( -1.348 -1.095 -0.759) 1.896 8.349 ( 2.178 0.063 1.458) 2.621 8.369 ( 1.863 -0.774 1.021) 2.261 8.444 ( -0.720 0.295 0.360) 0.858 8.457 ( -1.088 -0.107 0.165) 1.106 8.929 ( 1.251 0.690 1.612) 2.154 8.957 ( 0.239 -0.395 1.897) 1.952 9.148 ( 2.389 0.281 -2.705) 3.620 9.198 ( 1.231 -1.563 -2.991) 3.593 9.330 ( 4.150 2.300 -1.083) 4.867 9.369 ( 1.547 0.620 -1.581) 2.298 9.433 ( 2.908 -1.802 1.160) 3.613 9.463 ( 2.413 -2.877 -0.813) 3.842 9.611 ( -0.408 1.395 0.220) 1.470 9.676 ( 0.332 -1.077 0.253) 1.155 9.733 ( -3.067 1.843 0.329) 3.593 9.768 ( -3.060 1.019 2.354) 3.993 9.838 ( -2.293 1.573 -0.805) 2.895 9.912 ( -2.104 0.252 -0.797) 2.264 9.953 ( -2.746 -1.584 1.343) 3.443 9.995 ( -8.024 -1.867 -0.589) 8.259 10.371 ( -0.477 0.516 2.400) 2.501 10.389 ( -1.152 -0.333 2.299) 2.592 10.544 ( 0.563 0.623 -1.685) 1.883 10.558 ( -0.144 0.111 -1.708) 1.718 ======================= Grid point 85 (35/60) ======================= q-point: (-0.50 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( -4.369 5.277 -1.044) 6.930 1.112 ( 4.369 5.277 -1.044) 6.930 1.180 ( -6.571 3.148 -0.029) 7.286 1.180 ( 6.571 3.148 -0.029) 7.286 1.305 ( -2.767 1.196 -0.226) 3.023 1.305 ( 2.767 1.196 -0.226) 3.023 1.443 ( -2.880 -2.504 -1.293) 4.030 1.443 ( 2.880 -2.504 -1.293) 4.030 1.546 ( -3.198 -1.351 0.730) 3.547 1.546 ( 3.198 -1.351 0.730) 3.547 1.613 ( -1.797 -2.240 -1.015) 3.046 1.613 ( 1.797 -2.240 -1.015) 3.046 1.832 ( -2.400 1.927 1.950) 3.644 1.832 ( 2.400 1.927 1.950) 3.644 1.991 ( -1.732 0.565 -0.644) 1.932 1.991 ( 1.732 0.565 -0.644) 1.932 2.079 ( -0.863 -0.555 0.717) 1.252 2.079 ( 0.863 -0.555 0.717) 1.252 2.171 ( -1.929 1.956 -0.627) 2.818 2.171 ( 1.929 1.956 -0.627) 2.818 2.368 ( -2.247 3.076 1.452) 4.077 2.368 ( 2.247 3.076 1.452) 4.077 2.513 ( -1.878 -1.652 -0.958) 2.678 2.513 ( 1.878 -1.652 -0.958) 2.678 2.684 ( -3.979 0.314 0.972) 4.108 2.684 ( 3.979 0.314 0.972) 4.108 2.779 ( -1.898 -3.158 -0.198) 3.690 2.779 ( 1.898 -3.158 -0.198) 3.690 2.859 ( -0.866 0.125 3.293) 3.407 2.859 ( 0.866 0.125 3.293) 3.407 3.001 ( -1.271 0.735 0.016) 1.468 3.001 ( 1.271 0.735 0.016) 1.468 3.315 ( -2.275 0.767 -0.309) 2.420 3.315 ( 2.275 0.767 -0.309) 2.420 3.386 ( -2.252 -1.932 -0.770) 3.066 3.386 ( 2.252 -1.932 -0.770) 3.066 3.616 ( -3.177 0.905 0.559) 3.350 3.616 ( 3.177 0.905 0.559) 3.350 3.731 ( -5.513 0.586 -2.172) 5.955 3.731 ( 5.513 0.586 -2.172) 5.955 4.426 ( -2.198 1.315 -0.024) 2.561 4.426 ( 2.198 1.315 -0.024) 2.561 4.498 ( -3.180 -1.584 0.152) 3.556 4.498 ( 3.180 -1.584 0.152) 3.556 4.956 ( -0.413 0.084 0.489) 0.645 4.956 ( 0.413 0.084 0.489) 0.645 4.994 ( -0.968 0.648 -0.379) 1.225 4.994 ( 0.968 0.648 -0.379) 1.225 6.794 ( -0.657 -0.094 1.280) 1.442 6.794 ( 0.657 -0.094 1.280) 1.442 6.932 ( -0.225 -0.955 -1.994) 2.222 6.932 ( 0.225 -0.955 -1.994) 2.222 7.504 ( -1.553 1.370 1.448) 2.526 7.504 ( 1.553 1.370 1.448) 2.526 7.624 ( -1.275 -1.166 -1.046) 2.020 7.624 ( 1.275 -1.166 -1.046) 2.020 8.121 ( -0.882 -0.422 0.003) 0.977 8.121 ( 0.882 -0.422 0.003) 0.977 8.155 ( -0.669 -0.518 -0.453) 0.960 8.155 ( 0.669 -0.518 -0.453) 0.960 8.380 ( -0.786 -0.186 1.283) 1.516 8.380 ( 0.786 -0.186 1.283) 1.516 8.440 ( -0.542 0.134 -0.020) 0.559 8.440 ( 0.542 0.134 -0.020) 0.559 8.950 ( -0.810 0.352 2.093) 2.271 8.950 ( 0.810 0.352 2.093) 2.271 9.190 ( -1.659 -1.195 -3.559) 4.105 9.190 ( 1.659 -1.195 -3.559) 4.105 9.394 ( -1.301 1.168 -0.386) 1.790 9.394 ( 1.301 1.168 -0.386) 1.790 9.470 ( -1.732 -1.631 -0.397) 2.411 9.470 ( 1.732 -1.631 -0.397) 2.411 9.641 ( -3.938 1.115 0.128) 4.095 9.641 ( 3.938 1.115 0.128) 4.095 9.723 ( -1.219 1.024 1.591) 2.251 9.723 ( 1.219 1.024 1.591) 2.251 9.838 ( -4.480 0.487 -1.008) 4.618 9.838 ( 4.480 0.487 -1.008) 4.618 9.924 ( -0.857 -1.926 0.392) 2.144 9.924 ( 0.857 -1.926 0.392) 2.144 10.371 ( -0.512 0.113 2.504) 2.558 10.371 ( 0.512 0.113 2.504) 2.558 10.553 ( -0.342 0.277 -1.767) 1.821 10.553 ( 0.342 0.277 -1.767) 1.821 ======================= Grid point 90 (36/60) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.975 ( 0.000 -5.627 -3.976) 6.890 0.975 ( 0.000 5.627 -3.976) 6.890 1.063 ( 0.000 -6.503 -0.959) 6.574 1.063 ( 0.000 6.503 -0.959) 6.574 1.234 ( 0.000 -3.256 -3.232) 4.587 1.234 ( 0.000 3.256 -3.232) 4.587 1.467 ( 0.000 -0.383 -3.339) 3.360 1.467 ( 0.000 0.383 -3.339) 3.360 1.601 ( 0.000 -2.752 3.600) 4.531 1.601 ( 0.000 2.752 3.600) 4.531 1.742 ( 0.000 -4.860 -0.125) 4.862 1.742 ( 0.000 4.860 -0.125) 4.862 1.812 ( 0.000 -1.960 4.268) 4.697 1.812 ( 0.000 1.960 4.268) 4.697 1.937 ( 0.000 -5.347 3.351) 6.311 1.937 ( 0.000 5.347 3.351) 6.311 2.042 ( 0.000 -1.623 -1.051) 1.934 2.042 ( 0.000 1.623 -1.051) 1.934 2.211 ( 0.000 -1.845 -1.162) 2.180 2.211 ( 0.000 1.845 -1.162) 2.180 2.292 ( 0.000 -0.805 -3.372) 3.467 2.292 ( 0.000 0.805 -3.372) 3.467 2.467 ( 0.000 -2.485 2.319) 3.400 2.467 ( 0.000 2.485 2.319) 3.400 2.615 ( 0.000 -1.563 1.883) 2.447 2.615 ( 0.000 1.563 1.883) 2.447 2.731 ( 0.000 -3.800 -0.606) 3.848 2.731 ( 0.000 3.800 -0.606) 3.848 2.805 ( 0.000 -1.132 -0.302) 1.171 2.805 ( 0.000 1.132 -0.302) 1.171 2.960 ( 0.000 -2.953 -1.215) 3.194 2.960 ( 0.000 2.953 -1.215) 3.194 3.191 ( 0.000 -2.941 3.534) 4.598 3.191 ( 0.000 2.941 3.534) 4.598 3.290 ( 0.000 -0.928 0.005) 0.928 3.290 ( 0.000 0.928 0.005) 0.928 3.556 ( 0.000 -1.510 0.429) 1.570 3.556 ( 0.000 1.510 0.429) 1.570 3.992 ( 0.000 -2.899 -5.500) 6.217 3.992 ( 0.000 2.899 -5.500) 6.217 4.411 ( 0.000 -3.205 4.361) 5.412 4.411 ( 0.000 3.205 4.361) 5.412 4.687 ( 0.000 -2.209 -1.630) 2.745 4.687 ( 0.000 2.209 -1.630) 2.745 4.909 ( 0.000 -0.706 -0.148) 0.721 4.909 ( 0.000 0.706 -0.148) 0.721 5.021 ( 0.000 -2.121 0.444) 2.167 5.021 ( 0.000 2.121 0.444) 2.167 6.814 ( 0.000 -0.965 -1.852) 2.088 6.814 ( 0.000 0.965 -1.852) 2.088 6.982 ( 0.000 -1.398 0.406) 1.456 6.982 ( 0.000 1.398 0.406) 1.456 7.500 ( 0.000 -1.642 1.171) 2.017 7.500 ( 0.000 1.642 1.171) 2.017 7.672 ( 0.000 -1.164 -0.320) 1.207 7.672 ( 0.000 1.164 -0.320) 1.207 8.082 ( 0.000 -1.452 1.115) 1.831 8.082 ( 0.000 1.452 1.115) 1.831 8.188 ( 0.000 -1.237 0.824) 1.486 8.188 ( 0.000 1.237 0.824) 1.486 8.263 ( 0.000 -1.896 -1.724) 2.563 8.263 ( 0.000 1.896 -1.724) 2.563 8.421 ( 0.000 -2.734 1.640) 3.188 8.421 ( 0.000 2.734 1.640) 3.188 8.889 ( 0.000 -1.348 1.598) 2.090 8.889 ( 0.000 1.348 1.598) 2.090 9.038 ( 0.000 -3.474 -0.243) 3.483 9.038 ( 0.000 3.474 -0.243) 3.483 9.309 ( 0.000 -1.523 -3.081) 3.437 9.309 ( 0.000 1.523 -3.081) 3.437 9.385 ( 0.000 -0.728 -3.506) 3.580 9.385 ( 0.000 0.728 -3.506) 3.580 9.596 ( 0.000 -2.578 5.004) 5.629 9.596 ( 0.000 2.578 5.004) 5.629 9.818 ( 0.000 -1.950 -0.907) 2.151 9.818 ( 0.000 1.950 -0.907) 2.151 10.061 ( 0.000 -1.739 1.754) 2.470 10.061 ( 0.000 1.739 1.754) 2.470 10.243 ( 0.000 -2.682 -0.384) 2.709 10.243 ( 0.000 2.682 -0.384) 2.709 10.441 ( 0.000 -0.480 -0.440) 0.651 10.441 ( 0.000 0.480 -0.440) 0.651 10.534 ( 0.000 -1.449 0.349) 1.490 10.534 ( 0.000 1.449 0.349) 1.490 ======================= Grid point 92 (37/60) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.917 ( -2.671 -8.920 0.747) 9.341 0.917 ( -2.671 8.920 0.747) 9.341 1.123 ( 4.609 -6.361 -2.259) 8.174 1.123 ( 4.609 6.361 -2.259) 8.174 1.265 ( 1.864 -3.516 -4.552) 6.047 1.265 ( 1.864 3.516 -4.552) 6.047 1.448 ( -0.637 -1.273 -1.968) 2.429 1.448 ( -0.637 1.273 -1.968) 2.429 1.603 ( -0.628 -1.983 2.314) 3.111 1.603 ( -0.628 1.983 2.314) 3.111 1.735 ( -1.490 -2.653 -1.568) 3.423 1.735 ( -1.490 2.653 -1.568) 3.423 1.833 ( 1.050 -2.657 2.975) 4.125 1.833 ( 1.050 2.657 2.975) 4.125 1.969 ( 1.042 -2.395 2.026) 3.306 1.969 ( 1.042 2.395 2.026) 3.306 2.067 ( 3.873 -2.034 0.851) 4.457 2.067 ( 3.873 2.034 0.851) 4.457 2.194 ( 0.057 -1.882 -0.084) 1.885 2.194 ( 0.057 1.882 -0.084) 1.885 2.288 ( 0.264 -1.915 -2.527) 3.181 2.288 ( 0.264 1.915 -2.527) 3.181 2.496 ( 1.890 -1.757 1.190) 2.841 2.496 ( 1.890 1.757 1.190) 2.841 2.611 ( -0.696 -1.075 1.234) 1.779 2.611 ( -0.696 1.075 1.234) 1.779 2.710 ( -1.402 -2.974 0.778) 3.379 2.710 ( -1.402 2.974 0.778) 3.379 2.824 ( 1.651 -0.331 -0.790) 1.860 2.824 ( 1.651 0.331 -0.790) 1.860 2.958 ( -0.287 -2.339 -0.245) 2.369 2.958 ( -0.287 2.339 -0.245) 2.369 3.209 ( 1.578 -1.649 1.622) 2.799 3.209 ( 1.578 1.649 1.622) 2.799 3.318 ( 2.787 -1.914 0.742) 3.462 3.318 ( 2.787 1.914 0.742) 3.462 3.539 ( -1.621 -1.426 0.411) 2.197 3.539 ( -1.621 1.426 0.411) 2.197 3.964 ( -2.613 -3.017 -4.567) 6.065 3.964 ( -2.613 3.017 -4.567) 6.065 4.408 ( -0.275 -2.866 3.338) 4.408 4.408 ( -0.275 2.866 3.338) 4.408 4.670 ( -1.730 -2.332 -1.466) 3.252 4.670 ( -1.730 2.332 -1.466) 3.252 4.916 ( 0.618 -0.705 0.149) 0.949 4.916 ( 0.618 0.705 0.149) 0.949 5.018 ( -0.261 -2.058 0.214) 2.086 5.018 ( -0.261 2.058 0.214) 2.086 6.816 ( 0.056 -0.986 -1.239) 1.585 6.816 ( 0.056 0.986 -1.239) 1.585 6.973 ( -0.868 -1.160 -0.074) 1.450 6.973 ( -0.868 1.160 -0.074) 1.450 7.496 ( -0.212 -1.845 0.913) 2.069 7.496 ( -0.212 1.845 0.913) 2.069 7.663 ( -0.821 -1.313 -0.154) 1.556 7.663 ( -0.821 1.313 -0.154) 1.556 8.086 ( 0.404 -1.395 0.970) 1.746 8.086 ( 0.404 1.395 0.970) 1.746 8.194 ( -0.366 -1.784 -0.154) 1.827 8.194 ( -0.366 1.784 -0.154) 1.827 8.253 ( 0.637 -0.921 -0.132) 1.127 8.253 ( 0.637 0.921 -0.132) 1.127 8.449 ( 1.710 -1.907 1.049) 2.768 8.449 ( 1.710 1.907 1.049) 2.768 8.896 ( 0.784 -1.166 1.343) 1.944 8.896 ( 0.784 1.166 1.343) 1.944 9.066 ( 2.658 -2.955 -0.613) 4.022 9.066 ( 2.658 2.955 -0.613) 4.022 9.297 ( -0.558 -2.017 -2.111) 2.972 9.297 ( -0.558 2.017 -2.111) 2.972 9.388 ( -0.050 -0.785 -3.197) 3.293 9.388 ( -0.050 0.785 -3.197) 3.293 9.602 ( 0.801 -2.382 4.210) 4.903 9.602 ( 0.801 2.382 4.210) 4.903 9.827 ( 0.692 -1.963 -1.127) 2.367 9.827 ( 0.692 1.963 -1.127) 2.367 10.017 ( -4.119 -1.498 1.756) 4.722 10.017 ( -4.119 1.498 1.756) 4.722 10.205 ( -3.741 -2.698 -0.442) 4.634 10.205 ( -3.741 2.698 -0.442) 4.634 10.429 ( -1.087 -0.309 0.653) 1.305 10.429 ( -1.087 0.309 0.653) 1.305 10.540 ( 0.525 -1.174 -0.501) 1.380 10.540 ( 0.525 1.174 -0.501) 1.380 ======================= Grid point 94 (38/60) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 3.584 -5.442 3.058) 7.198 0.925 ( 3.584 5.442 3.058) 7.198 1.213 ( 3.428 -2.093 -0.930) 4.123 1.213 ( 3.428 2.093 -0.930) 4.123 1.297 ( 2.237 -3.998 -4.528) 6.441 1.297 ( 2.237 3.998 -4.528) 6.441 1.467 ( 1.963 -3.627 -0.702) 4.183 1.467 ( 1.963 3.627 -0.702) 4.183 1.559 ( -4.057 -1.856 -0.417) 4.480 1.559 ( -4.057 1.856 -0.417) 4.480 1.667 ( -4.290 -2.756 -1.733) 5.386 1.667 ( -4.290 2.756 -1.733) 5.386 1.849 ( 0.241 -2.054 3.828) 4.351 1.849 ( 0.241 2.054 3.828) 4.351 1.968 ( 0.482 -1.564 0.734) 1.794 1.968 ( 0.482 1.564 0.734) 1.794 2.103 ( -0.686 -1.559 0.881) 1.918 2.103 ( -0.686 1.559 0.881) 1.918 2.237 ( 0.702 -2.877 -2.163) 3.667 2.237 ( 0.702 2.877 -2.163) 3.667 2.345 ( 5.170 -3.373 -2.221) 6.561 2.345 ( 5.170 3.373 -2.221) 6.561 2.522 ( 0.773 -2.650 1.688) 3.236 2.522 ( 0.773 2.650 1.688) 3.236 2.596 ( 0.554 -1.131 0.630) 1.408 2.596 ( 0.554 1.131 0.630) 1.408 2.703 ( 0.748 -1.654 2.703) 3.256 2.703 ( 0.748 1.654 2.703) 3.256 2.851 ( 0.581 -2.371 -1.268) 2.751 2.851 ( 0.581 2.371 -1.268) 2.751 2.957 ( 0.649 -1.395 1.776) 2.350 2.957 ( 0.649 1.395 1.776) 2.350 3.246 ( 2.000 -0.956 -0.832) 2.368 3.246 ( 2.000 0.956 -0.832) 2.368 3.393 ( 4.227 -2.203 1.298) 4.941 3.393 ( 4.227 2.203 1.298) 4.941 3.498 ( -1.979 -0.986 0.198) 2.220 3.498 ( -1.979 0.986 0.198) 2.220 3.899 ( -3.800 -3.179 -2.793) 5.687 3.899 ( -3.800 3.179 -2.793) 5.687 4.401 ( -0.229 -1.697 1.528) 2.295 4.401 ( -0.229 1.697 1.528) 2.295 4.619 ( -3.328 -2.338 -1.023) 4.193 4.619 ( -3.328 2.338 -1.023) 4.193 4.932 ( 0.908 -0.657 0.563) 1.254 4.932 ( 0.908 0.657 0.563) 1.254 5.012 ( -0.345 -1.677 -0.225) 1.727 5.012 ( -0.345 1.677 -0.225) 1.727 6.812 ( -0.466 -0.984 0.050) 1.090 6.812 ( -0.466 0.984 0.050) 1.090 6.951 ( -1.214 -0.632 -1.027) 1.711 6.951 ( -1.214 0.632 -1.027) 1.711 7.497 ( 0.405 -2.042 0.562) 2.156 7.497 ( 0.405 2.042 0.562) 2.156 7.642 ( -1.178 -1.569 -0.011) 1.962 7.642 ( -1.178 1.569 -0.011) 1.962 8.097 ( 0.643 -1.123 0.621) 1.435 8.097 ( 0.643 1.123 0.621) 1.435 8.172 ( -1.161 -1.622 -1.077) 2.267 8.172 ( -1.161 1.622 -1.077) 2.267 8.299 ( 3.095 -0.509 1.269) 3.384 8.299 ( 3.095 0.509 1.269) 3.384 8.465 ( -0.179 -0.830 0.663) 1.077 8.465 ( -0.179 0.830 0.663) 1.077 8.919 ( 1.422 -0.932 1.057) 2.002 8.919 ( 1.422 0.932 1.057) 2.002 9.127 ( 2.833 -1.863 -1.644) 3.768 9.127 ( 2.833 1.863 -1.644) 3.768 9.312 ( 2.552 -2.557 -0.714) 3.682 9.312 ( 2.552 2.557 -0.714) 3.682 9.381 ( -0.193 -1.158 -1.820) 2.166 9.381 ( -0.193 1.158 -1.820) 2.166 9.628 ( 1.511 -1.928 2.160) 3.265 9.628 ( 1.511 1.928 2.160) 3.265 9.828 ( -1.439 -1.719 -1.310) 2.596 9.828 ( -1.439 1.719 -1.310) 2.596 9.923 ( -4.079 -1.916 1.811) 4.856 9.923 ( -4.079 1.916 1.811) 4.856 10.099 ( -6.665 -2.563 -0.431) 7.153 10.099 ( -6.665 2.563 -0.431) 7.153 10.403 ( -1.345 -0.550 1.896) 2.389 10.403 ( -1.345 0.550 1.896) 2.389 10.550 ( 0.408 -0.750 -1.399) 1.639 10.550 ( 0.408 0.750 -1.399) 1.639 ======================= Grid point 96 (39/60) ======================= q-point: ( 0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 7.377 -2.181 2.078) 7.969 1.040 ( 7.377 2.181 2.078) 7.969 1.261 ( 1.901 -2.345 0.216) 3.026 1.261 ( 1.901 2.345 0.216) 3.026 1.334 ( -0.900 -2.270 -2.446) 3.457 1.334 ( -0.900 2.270 -2.446) 3.457 1.447 ( -4.219 -2.622 -1.455) 5.176 1.447 ( -4.219 2.622 -1.455) 5.176 1.509 ( 1.380 -2.801 -0.360) 3.143 1.509 ( 1.380 2.801 -0.360) 3.143 1.607 ( -1.978 -1.724 -0.759) 2.731 1.607 ( -1.978 1.724 -0.759) 2.731 1.848 ( 0.400 -2.025 2.402) 3.167 1.848 ( 0.400 2.025 2.402) 3.167 1.990 ( 0.814 -0.824 -1.141) 1.625 1.990 ( 0.814 0.824 -1.141) 1.625 2.082 ( -0.942 -1.222 2.129) 2.629 2.082 ( -0.942 1.222 2.129) 2.629 2.216 ( -1.826 -1.813 -2.325) 3.468 2.216 ( -1.826 1.813 -2.325) 3.468 2.401 ( 1.241 -2.650 -2.020) 3.555 2.401 ( 1.241 2.650 -2.020) 3.555 2.510 ( -1.905 -2.807 1.410) 3.673 2.510 ( -1.905 2.807 1.410) 3.673 2.655 ( 3.638 -2.246 -0.176) 4.279 2.655 ( 3.638 2.246 -0.176) 4.279 2.729 ( 1.001 -0.649 2.356) 2.641 2.729 ( 1.001 0.649 2.356) 2.641 2.853 ( 0.310 -1.824 1.939) 2.680 2.853 ( 0.310 1.824 1.939) 2.680 2.987 ( 1.943 -1.282 0.820) 2.468 2.987 ( 1.943 1.282 0.820) 2.468 3.288 ( 2.328 -1.302 -1.172) 2.914 3.288 ( 2.328 1.302 -1.172) 2.914 3.408 ( -2.728 -1.366 0.383) 3.074 3.408 ( -2.728 1.366 0.383) 3.074 3.536 ( 5.638 -1.548 0.256) 5.853 3.536 ( 5.638 1.548 0.256) 5.853 3.814 ( -4.715 -2.790 -1.656) 5.724 3.814 ( -4.715 2.790 -1.656) 5.724 4.410 ( 1.348 -0.972 0.425) 1.715 4.410 ( 1.348 0.972 0.425) 1.715 4.542 ( -4.204 -1.891 -0.466) 4.633 4.542 ( -4.204 1.891 -0.466) 4.633 4.949 ( 0.728 -0.389 0.605) 1.023 4.949 ( 0.728 0.389 0.605) 1.023 5.005 ( -0.309 -0.928 -0.485) 1.091 5.005 ( -0.309 0.928 -0.485) 1.091 6.800 ( -0.626 -0.642 0.954) 1.309 6.800 ( -0.626 0.642 0.954) 1.309 6.929 ( -0.832 -0.254 -1.656) 1.870 6.929 ( -0.832 0.254 -1.656) 1.870 7.512 ( 0.870 -1.687 0.757) 2.044 7.512 ( 0.870 1.687 0.757) 2.044 7.619 ( -1.030 -1.427 -0.363) 1.797 7.619 ( -1.030 1.427 -0.363) 1.797 8.110 ( 0.629 -0.735 0.259) 1.001 8.110 ( 0.629 0.735 0.259) 1.001 8.154 ( -0.614 -0.684 -0.926) 1.305 8.154 ( -0.614 0.684 -0.926) 1.305 8.355 ( 2.204 -0.505 1.421) 2.670 8.355 ( 2.204 0.505 1.421) 2.670 8.451 ( -0.855 -0.382 0.360) 1.003 8.451 ( -0.855 0.382 0.360) 1.003 8.945 ( 0.971 -0.734 1.530) 1.955 8.945 ( 0.971 0.734 1.530) 1.955 9.166 ( 1.126 -1.336 -2.638) 3.164 9.166 ( 1.126 1.336 -2.638) 3.164 9.373 ( 2.323 -1.279 -0.777) 2.763 9.373 ( 2.323 1.279 -0.777) 2.763 9.414 ( 3.683 -1.074 -0.386) 3.856 9.414 ( 3.683 1.074 -0.386) 3.856 9.646 ( 0.053 -1.669 0.335) 1.703 9.646 ( 0.053 1.669 0.335) 1.703 9.766 ( -3.022 -1.090 0.558) 3.260 9.766 ( -3.022 1.090 0.558) 3.260 9.884 ( -0.854 -2.530 0.116) 2.673 9.884 ( -0.854 2.530 0.116) 2.673 9.956 ( -6.897 -1.633 0.037) 7.087 9.956 ( -6.897 1.633 0.037) 7.087 10.381 ( -0.798 -0.424 2.433) 2.595 10.381 ( -0.798 0.424 2.433) 2.595 10.555 ( 0.112 -0.362 -1.743) 1.784 10.555 ( 0.112 0.362 -1.743) 1.784 ======================= Grid point 98 (40/60) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.196 ( 0.000 0.000 -0.843) 0.843 1.196 ( 0.000 0.000 -0.843) 0.843 1.197 ( -0.000 -0.000 1.340) 1.340 1.197 ( -0.000 0.000 1.340) 1.340 1.323 ( -0.000 0.000 -0.379) 0.379 1.323 ( -0.000 0.000 -0.379) 0.379 1.405 ( 0.000 0.000 -0.314) 0.314 1.405 ( 0.000 0.000 -0.314) 0.314 1.544 ( -0.000 0.000 -1.192) 1.192 1.544 ( 0.000 0.000 -1.192) 1.192 1.573 ( 0.000 0.000 -0.864) 0.864 1.573 ( 0.000 0.000 -0.864) 0.864 1.861 ( 0.000 0.000 2.357) 2.357 1.861 ( 0.000 0.000 2.357) 2.357 1.990 ( -0.000 0.000 -2.045) 2.045 1.990 ( 0.000 0.000 -2.045) 2.045 2.074 ( 0.000 0.000 1.347) 1.347 2.074 ( 0.000 0.000 1.347) 1.347 2.196 ( 0.000 0.000 -2.045) 2.045 2.196 ( 0.000 0.000 -2.045) 2.045 2.418 ( 0.000 0.000 0.367) 0.367 2.418 ( 0.000 0.000 0.367) 0.367 2.480 ( 0.000 0.000 0.435) 0.435 2.480 ( 0.000 0.000 0.435) 0.435 2.710 ( -0.000 0.000 -1.115) 1.115 2.710 ( 0.000 0.000 -1.115) 1.115 2.716 ( -0.000 -0.000 1.723) 1.723 2.716 ( 0.000 -0.000 1.723) 1.723 2.863 ( 0.000 0.000 4.336) 4.336 2.863 ( 0.000 0.000 4.336) 4.336 3.011 ( 0.000 0.000 -0.298) 0.298 3.011 ( 0.000 0.000 -0.298) 0.298 3.335 ( -0.000 -0.000 -0.471) 0.471 3.335 ( 0.000 0.000 -0.471) 0.471 3.353 ( 0.000 0.000 -0.528) 0.528 3.353 ( 0.000 0.000 -0.528) 0.528 3.626 ( 0.000 0.000 0.640) 0.640 3.626 ( 0.000 0.000 0.640) 0.640 3.738 ( -0.000 0.000 -1.915) 1.915 3.738 ( 0.000 0.000 -1.915) 1.915 4.452 ( 0.000 -0.000 0.202) 0.202 4.452 ( 0.000 0.000 0.202) 0.202 4.469 ( -0.000 -0.000 -0.214) 0.214 4.469 ( 0.000 0.000 -0.214) 0.214 4.957 ( 0.000 0.000 0.522) 0.522 4.957 ( 0.000 0.000 0.522) 0.522 5.002 ( 0.000 0.000 -0.534) 0.534 5.002 ( 0.000 0.000 -0.534) 0.534 6.793 ( 0.000 0.000 1.204) 1.204 6.793 ( 0.000 0.000 1.204) 1.204 6.921 ( 0.000 0.000 -1.822) 1.822 6.921 ( 0.000 0.000 -1.822) 1.822 7.523 ( 0.000 0.000 1.172) 1.172 7.523 ( 0.000 0.000 1.172) 1.172 7.607 ( -0.000 0.000 -0.821) 0.821 7.607 ( -0.000 0.000 -0.821) 0.821 8.118 ( 0.000 0.000 0.087) 0.087 8.118 ( 0.000 0.000 0.087) 0.087 8.148 ( 0.000 0.000 -0.771) 0.771 8.148 ( 0.000 0.000 -0.771) 0.771 8.379 ( 0.000 0.000 1.610) 1.610 8.379 ( 0.000 0.000 1.610) 1.610 8.441 ( 0.000 0.000 -0.021) 0.021 8.441 ( 0.000 0.000 -0.021) 0.021 8.955 ( 0.000 0.000 2.014) 2.014 8.955 ( 0.000 0.000 2.014) 2.014 9.176 ( 0.000 0.000 -3.128) 3.128 9.176 ( 0.000 0.000 -3.128) 3.128 9.412 ( -0.000 0.000 0.054) 0.054 9.412 ( 0.000 0.000 0.054) 0.054 9.446 ( 0.000 0.000 -1.254) 1.254 9.446 ( 0.000 0.000 -1.254) 1.254 9.655 ( 0.000 0.000 0.444) 0.444 9.655 ( 0.000 0.000 0.444) 0.444 9.732 ( -0.000 0.000 0.128) 0.128 9.732 ( 0.000 0.000 0.128) 0.128 9.853 ( 0.000 0.000 0.190) 0.190 9.853 ( 0.000 0.000 0.190) 0.190 9.893 ( -0.000 0.000 0.290) 0.290 9.893 ( 0.000 0.000 0.290) 0.290 10.373 ( 0.000 0.000 2.583) 2.583 10.373 ( 0.000 0.000 2.583) 2.583 10.556 ( 0.000 0.000 -1.827) 1.827 10.556 ( 0.000 0.000 -1.827) 1.827 ======================= Grid point 126 (41/60) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 0.000 0.000 14.555) 14.555 0.845 ( 0.000 0.000 18.649) 18.649 0.920 ( 0.000 0.000 -10.657) 10.657 1.128 ( 0.000 0.000 -8.234) 8.234 1.377 ( 0.000 0.000 6.074) 6.074 1.390 ( 0.000 0.000 -3.127) 3.127 1.406 ( 0.000 0.000 -1.910) 1.910 1.413 ( 0.000 0.000 -1.056) 1.056 1.448 ( 0.000 0.000 15.963) 15.963 1.639 ( 0.000 0.000 1.315) 1.315 1.665 ( 0.000 0.000 -1.261) 1.261 1.717 ( 0.000 0.000 0.229) 0.229 1.743 ( 0.000 0.000 -1.939) 1.939 1.841 ( 0.000 0.000 -9.565) 9.565 1.971 ( 0.000 0.000 2.961) 2.961 2.057 ( 0.000 0.000 -6.701) 6.701 2.072 ( 0.000 0.000 2.124) 2.124 2.110 ( 0.000 0.000 2.648) 2.648 2.133 ( 0.000 0.000 -3.655) 3.655 2.158 ( 0.000 0.000 -2.322) 2.322 2.323 ( 0.000 0.000 5.087) 5.087 2.416 ( 0.000 0.000 -2.834) 2.834 2.492 ( 0.000 0.000 0.160) 0.160 2.499 ( 0.000 0.000 1.940) 1.940 2.576 ( 0.000 0.000 0.811) 0.811 2.614 ( 0.000 0.000 1.851) 1.851 2.640 ( 0.000 0.000 -2.729) 2.729 2.644 ( 0.000 0.000 -0.211) 0.211 2.771 ( 0.000 0.000 3.440) 3.440 2.848 ( 0.000 0.000 -3.668) 3.668 2.960 ( 0.000 0.000 3.127) 3.127 3.031 ( 0.000 0.000 -2.203) 2.203 3.158 ( 0.000 0.000 1.842) 1.842 3.236 ( 0.000 0.000 -4.131) 4.131 3.338 ( 0.000 0.000 1.235) 1.235 3.363 ( 0.000 0.000 -1.166) 1.166 3.500 ( 0.000 0.000 -0.207) 0.207 3.509 ( 0.000 0.000 -1.572) 1.572 4.123 ( 0.000 0.000 2.221) 2.221 4.165 ( 0.000 0.000 -2.152) 2.152 4.236 ( 0.000 0.000 -0.033) 0.033 4.248 ( 0.000 0.000 -1.259) 1.259 4.556 ( 0.000 0.000 0.982) 0.982 4.557 ( 0.000 0.000 1.103) 1.103 4.921 ( 0.000 0.000 2.907) 2.907 4.979 ( 0.000 0.000 -2.711) 2.711 5.080 ( 0.000 0.000 0.327) 0.327 5.086 ( 0.000 0.000 -0.350) 0.350 6.763 ( 0.000 0.000 0.342) 0.342 6.790 ( 0.000 0.000 -2.270) 2.270 6.969 ( 0.000 0.000 1.814) 1.814 6.992 ( 0.000 0.000 -0.618) 0.618 7.522 ( 0.000 0.000 3.263) 3.263 7.576 ( 0.000 0.000 -1.904) 1.904 7.624 ( 0.000 0.000 1.748) 1.748 7.671 ( 0.000 0.000 -2.631) 2.631 8.047 ( 0.000 0.000 -0.028) 0.028 8.051 ( 0.000 0.000 -0.457) 0.457 8.232 ( 0.000 0.000 0.404) 0.404 8.243 ( 0.000 0.000 -0.765) 0.765 8.279 ( 0.000 0.000 1.499) 1.499 8.304 ( 0.000 0.000 -1.045) 1.045 8.632 ( 0.000 0.000 0.598) 0.598 8.634 ( 0.000 0.000 0.765) 0.765 8.903 ( 0.000 0.000 0.977) 0.977 8.903 ( 0.000 0.000 1.235) 1.235 9.047 ( 0.000 0.000 2.705) 2.705 9.100 ( 0.000 0.000 -2.039) 2.039 9.211 ( 0.000 0.000 0.810) 0.810 9.289 ( 0.000 0.000 -6.405) 6.405 9.397 ( 0.000 0.000 2.381) 2.381 9.453 ( 0.000 0.000 -2.836) 2.836 9.495 ( 0.000 0.000 2.434) 2.434 9.566 ( 0.000 0.000 -4.127) 4.127 9.832 ( 0.000 0.000 2.632) 2.632 9.848 ( 0.000 0.000 0.970) 0.970 10.025 ( 0.000 0.000 -0.089) 0.089 10.027 ( 0.000 0.000 -0.382) 0.382 10.268 ( 0.000 0.000 4.493) 4.493 10.345 ( 0.000 0.000 -3.011) 3.011 10.399 ( 0.000 0.000 0.109) 0.109 10.403 ( 0.000 0.000 -0.348) 0.348 10.511 ( 0.000 0.000 -0.022) 0.022 10.512 ( 0.000 0.000 -0.214) 0.214 ======================= Grid point 127 (42/60) ======================= q-point: ( 0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( 3.661 0.000 11.887) 12.438 0.779 ( -1.542 0.000 12.743) 12.836 0.975 ( 3.180 0.000 -4.928) 5.865 1.095 ( -1.897 0.000 -8.050) 8.271 1.260 ( -7.107 0.000 -1.371) 7.238 1.293 ( -5.087 0.000 -5.047) 7.166 1.432 ( -0.234 0.000 -0.770) 0.805 1.438 ( 1.296 0.000 0.896) 1.575 1.604 ( 8.150 0.000 13.749) 15.983 1.654 ( 0.891 0.000 0.652) 1.105 1.673 ( -0.799 0.000 -1.688) 1.867 1.744 ( 2.602 0.000 -0.247) 2.614 1.786 ( 5.233 0.000 0.609) 5.268 1.875 ( 1.671 0.000 -3.410) 3.798 1.939 ( -1.507 0.000 1.001) 1.809 1.973 ( -3.910 0.000 -3.301) 5.117 2.062 ( 0.063 0.000 4.426) 4.426 2.147 ( 1.303 0.000 -0.647) 1.454 2.160 ( 0.347 0.000 0.180) 0.391 2.214 ( 1.874 0.000 -4.610) 4.976 2.303 ( 0.405 0.000 3.677) 3.699 2.385 ( 0.385 0.000 -2.754) 2.781 2.432 ( -3.610 0.000 4.709) 5.934 2.529 ( -2.117 0.000 -4.404) 4.886 2.571 ( 1.180 0.000 0.539) 1.297 2.601 ( -1.031 0.000 -1.028) 1.456 2.662 ( 3.319 0.000 1.723) 3.739 2.695 ( 3.206 0.000 0.258) 3.216 2.830 ( 4.153 0.000 1.639) 4.464 2.878 ( 3.017 0.000 -2.265) 3.773 2.956 ( -0.442 0.000 2.986) 3.018 3.018 ( -0.947 0.000 -1.963) 2.179 3.174 ( 1.990 0.000 1.398) 2.432 3.244 ( 0.640 0.000 -4.031) 4.081 3.335 ( -0.043 0.000 0.911) 0.912 3.361 ( -0.318 0.000 -1.551) 1.583 3.493 ( -0.535 0.000 0.400) 0.668 3.512 ( -0.028 0.000 -1.638) 1.638 4.063 ( -5.609 0.000 4.465) 7.169 4.151 ( -3.184 0.000 -4.421) 5.448 4.229 ( 0.345 0.000 -0.311) 0.464 4.237 ( 0.320 0.000 -1.169) 1.212 4.564 ( 0.940 0.000 2.508) 2.678 4.587 ( 1.889 0.000 -0.005) 1.889 4.921 ( 0.172 0.000 2.575) 2.581 4.974 ( -0.484 0.000 -2.467) 2.514 5.062 ( -1.499 0.000 0.628) 1.625 5.075 ( -1.194 0.000 -0.631) 1.351 6.789 ( 1.872 0.000 -0.145) 1.877 6.809 ( 1.840 0.000 -1.981) 2.704 6.959 ( -1.003 0.000 1.079) 1.473 6.973 ( -1.724 0.000 -0.373) 1.764 7.512 ( -0.852 0.000 3.400) 3.505 7.573 ( -0.300 0.000 -2.585) 2.602 7.614 ( -0.826 0.000 2.405) 2.543 7.668 ( -0.308 0.000 -2.740) 2.757 8.060 ( 1.196 0.000 0.183) 1.210 8.065 ( 1.260 0.000 -0.307) 1.297 8.229 ( -1.199 0.000 1.274) 1.750 8.246 ( 0.430 0.000 -0.402) 0.589 8.297 ( 0.252 0.000 0.073) 0.263 8.309 ( 2.625 0.000 -0.961) 2.795 8.562 ( -5.235 0.000 2.873) 5.972 8.591 ( -3.833 0.000 -0.070) 3.834 8.915 ( 1.313 0.000 2.356) 2.698 8.953 ( 3.883 0.000 -1.443) 4.143 9.039 ( -0.469 0.000 2.616) 2.658 9.086 ( -0.903 0.000 -1.150) 1.462 9.193 ( -0.990 0.000 1.650) 1.924 9.280 ( -0.904 0.000 -6.414) 6.478 9.418 ( 1.939 0.000 2.577) 3.225 9.467 ( 1.311 0.000 -2.174) 2.539 9.528 ( 2.472 0.000 1.059) 2.689 9.587 ( 1.962 0.000 -4.399) 4.817 9.830 ( -0.576 0.000 2.764) 2.824 9.845 ( -0.566 0.000 1.062) 1.203 9.986 ( -3.348 0.000 0.286) 3.360 9.998 ( -2.570 0.000 -0.921) 2.730 10.218 ( -4.514 0.000 4.531) 6.396 10.296 ( -4.714 0.000 -3.138) 5.662 10.406 ( 0.571 0.000 1.153) 1.286 10.426 ( 1.726 0.000 -0.611) 1.831 10.496 ( -1.198 0.000 0.400) 1.263 10.512 ( -0.183 0.000 -1.017) 1.034 ======================= Grid point 128 (43/60) ======================= q-point: ( 0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.790 ( 4.386 0.000 5.178) 6.786 0.835 ( 4.960 0.000 3.222) 5.915 0.994 ( -1.314 0.000 0.104) 1.318 1.090 ( -1.351 0.000 -6.218) 6.363 1.188 ( 2.860 0.000 -0.206) 2.868 1.243 ( 0.999 0.000 -5.425) 5.516 1.421 ( -0.913 0.000 0.654) 1.123 1.437 ( -1.566 0.000 -0.460) 1.632 1.611 ( -2.051 0.000 0.070) 2.052 1.625 ( -3.073 0.000 -1.653) 3.489 1.697 ( 1.246 0.000 5.784) 5.917 1.791 ( 1.396 0.000 -1.611) 2.132 1.863 ( -0.786 0.000 1.201) 1.435 1.886 ( -2.116 0.000 -0.903) 2.301 1.950 ( 0.667 0.000 0.459) 0.810 1.967 ( 4.349 0.000 -0.346) 4.363 2.078 ( 1.475 0.000 5.461) 5.657 2.139 ( -2.173 0.000 1.175) 2.470 2.164 ( 1.708 0.000 -1.388) 2.201 2.191 ( -1.592 0.000 -0.778) 1.772 2.343 ( -4.586 0.000 4.940) 6.740 2.373 ( 3.979 0.000 3.879) 5.557 2.437 ( 1.355 0.000 1.217) 1.821 2.510 ( 3.165 0.000 -4.463) 5.471 2.592 ( -0.197 0.000 0.077) 0.212 2.617 ( 4.017 0.000 -3.323) 5.213 2.712 ( 1.706 0.000 1.090) 2.025 2.747 ( 1.645 0.000 -1.302) 2.097 2.893 ( 1.869 0.000 1.896) 2.662 2.928 ( -0.176 0.000 -0.469) 0.501 2.960 ( 2.049 0.000 1.993) 2.859 3.008 ( 0.049 0.000 -2.127) 2.127 3.252 ( 5.502 0.000 -0.382) 5.516 3.258 ( 1.106 0.000 -0.334) 1.155 3.343 ( 0.129 0.000 -0.710) 0.722 3.364 ( 2.013 0.000 -2.687) 3.358 3.477 ( -1.202 0.000 1.087) 1.621 3.502 ( -1.049 0.000 -1.534) 1.858 3.922 ( -7.945 0.000 5.482) 9.653 4.030 ( -8.075 0.000 -5.279) 9.647 4.265 ( 3.014 0.000 -0.230) 3.023 4.276 ( 3.268 0.000 -1.367) 3.542 4.573 ( -0.232 0.000 3.113) 3.122 4.613 ( 0.294 0.000 -0.948) 0.993 4.930 ( 0.655 0.000 1.768) 1.885 4.963 ( -0.470 0.000 -1.444) 1.519 5.026 ( -1.990 0.000 0.676) 2.102 5.040 ( -2.170 0.000 -0.692) 2.278 6.817 ( 0.923 0.000 1.164) 1.485 6.851 ( 1.907 0.000 -2.172) 2.891 6.923 ( -2.405 0.000 0.542) 2.465 6.941 ( -1.319 0.000 -1.135) 1.740 7.498 ( -0.436 0.000 3.422) 3.449 7.563 ( -0.893 0.000 -2.729) 2.871 7.600 ( -0.330 0.000 2.541) 2.562 7.656 ( -0.847 0.000 -2.668) 2.799 8.090 ( 1.697 0.000 0.492) 1.767 8.096 ( 1.742 0.000 -0.001) 1.742 8.202 ( -1.197 0.000 1.371) 1.820 8.229 ( -1.681 0.000 -1.386) 2.178 8.331 ( 2.429 0.000 1.581) 2.898 8.366 ( 2.523 0.000 -2.035) 3.241 8.471 ( -3.394 0.000 3.227) 4.683 8.511 ( -3.817 0.000 -0.759) 3.891 8.945 ( 1.503 0.000 3.531) 3.837 9.008 ( 0.810 0.000 -1.543) 1.743 9.069 ( 3.014 0.000 0.489) 3.053 9.089 ( 2.519 0.000 -0.677) 2.608 9.191 ( 1.221 0.000 1.137) 1.668 9.260 ( -0.743 0.000 -5.605) 5.654 9.464 ( 2.443 0.000 2.520) 3.510 9.506 ( 2.667 0.000 -1.872) 3.258 9.573 ( 1.949 0.000 1.138) 2.257 9.632 ( 2.181 0.000 -4.382) 4.895 9.790 ( -3.541 0.000 2.611) 4.400 9.812 ( -3.031 0.000 0.692) 3.109 9.912 ( -3.579 0.000 1.658) 3.944 9.948 ( -2.295 0.000 -1.483) 2.733 10.106 ( -6.235 0.000 3.731) 7.266 10.171 ( -7.513 0.000 -2.727) 7.993 10.413 ( 0.066 0.000 2.559) 2.560 10.461 ( 1.615 0.000 -1.044) 1.924 10.468 ( -1.482 0.000 0.773) 1.671 10.509 ( -0.082 0.000 -2.072) 2.073 ======================= Grid point 129 (44/60) ======================= q-point: ( 0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.867 ( 2.995 0.000 1.128) 3.200 0.919 ( 1.977 0.000 -3.629) 4.132 0.974 ( 0.951 0.000 2.833) 2.988 1.057 ( -1.410 0.000 -4.823) 5.025 1.265 ( 0.115 0.000 0.891) 0.898 1.291 ( 1.333 0.000 -2.062) 2.455 1.391 ( 1.819 0.000 1.876) 2.613 1.442 ( 3.531 0.000 -1.419) 3.805 1.603 ( 1.271 0.000 -0.077) 1.274 1.618 ( 2.265 0.000 -1.053) 2.498 1.708 ( -0.471 0.000 3.680) 3.710 1.760 ( -5.085 0.000 -0.340) 5.096 1.800 ( -4.206 0.000 0.631) 4.254 1.831 ( -2.007 0.000 -2.382) 3.115 1.968 ( 0.711 0.000 1.971) 2.096 2.006 ( 0.241 0.000 -1.680) 1.697 2.076 ( -0.004 0.000 4.391) 4.391 2.116 ( -0.670 0.000 0.184) 0.695 2.189 ( -0.800 0.000 0.875) 1.186 2.204 ( 0.672 0.000 -0.655) 0.938 2.271 ( -0.677 0.000 4.032) 4.088 2.335 ( -2.832 0.000 -1.871) 3.394 2.523 ( 1.127 0.000 3.284) 3.472 2.567 ( -0.579 0.000 -1.371) 1.489 2.633 ( 7.526 0.000 3.232) 8.191 2.694 ( 2.323 0.000 0.187) 2.331 2.764 ( 1.207 0.000 -1.171) 1.681 2.782 ( 5.717 0.000 -1.794) 5.992 2.899 ( -0.929 0.000 0.657) 1.138 2.918 ( 0.026 0.000 -0.837) 0.837 2.974 ( -1.520 0.000 1.354) 2.035 3.005 ( -1.089 0.000 -1.232) 1.645 3.277 ( 1.359 0.000 1.745) 2.212 3.323 ( 0.086 0.000 -2.356) 2.357 3.412 ( 5.543 0.000 -0.512) 5.567 3.427 ( 1.394 0.000 -1.104) 1.778 3.461 ( 1.680 0.000 0.467) 1.744 3.487 ( 2.640 0.000 -1.986) 3.303 3.760 ( -8.191 0.000 4.145) 9.180 3.848 ( -9.994 0.000 -4.600) 11.001 4.339 ( 4.059 0.000 0.263) 4.067 4.353 ( 4.020 0.000 -1.169) 4.186 4.555 ( -1.322 0.000 2.507) 2.834 4.593 ( -2.168 0.000 -1.301) 2.528 4.945 ( 0.815 0.000 0.989) 1.282 4.959 ( 0.054 0.000 -0.283) 0.288 4.989 ( -1.658 0.000 0.406) 1.707 4.998 ( -1.914 0.000 -0.480) 1.973 6.828 ( 0.360 0.000 2.538) 2.563 6.865 ( -1.189 0.000 1.811) 2.166 6.891 ( 0.147 0.000 -2.980) 2.983 6.919 ( -0.937 0.000 -2.726) 2.883 7.498 ( 0.444 0.000 3.004) 3.037 7.538 ( -1.368 0.000 0.161) 1.378 7.604 ( 0.620 0.000 -0.175) 0.645 7.638 ( -0.958 0.000 -2.299) 2.491 8.123 ( 1.523 0.000 0.510) 1.606 8.131 ( 1.665 0.000 -0.110) 1.669 8.182 ( -0.941 0.000 0.681) 1.161 8.195 ( -1.517 0.000 -0.572) 1.622 8.373 ( 1.716 0.000 1.281) 2.141 8.399 ( 0.801 0.000 -1.289) 1.518 8.429 ( -1.072 0.000 1.259) 1.654 8.448 ( -2.411 0.000 -0.599) 2.484 8.973 ( 1.466 0.000 3.590) 3.878 9.017 ( 0.034 0.000 1.291) 1.291 9.097 ( 1.148 0.000 -1.345) 1.768 9.153 ( 0.557 0.000 -4.779) 4.812 9.260 ( 5.549 0.000 0.718) 5.595 9.290 ( 4.764 0.000 -2.482) 5.372 9.509 ( 1.750 0.000 1.661) 2.412 9.547 ( -0.668 0.000 -2.203) 2.302 9.605 ( 2.117 0.000 2.653) 3.394 9.655 ( -0.387 0.000 -1.841) 1.881 9.724 ( -1.707 0.000 1.150) 2.058 9.743 ( -2.144 0.000 -0.332) 2.170 9.835 ( -4.887 0.000 3.296) 5.895 9.897 ( -3.298 0.000 -2.199) 3.964 10.001 ( -3.848 0.000 1.091) 4.000 10.024 ( -5.706 0.000 -1.108) 5.813 10.412 ( 0.075 0.000 2.994) 2.995 10.440 ( -1.262 0.000 1.644) 2.072 10.487 ( 1.029 0.000 -1.727) 2.011 10.508 ( -0.103 0.000 -2.349) 2.351 ======================= Grid point 130 (45/60) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( -1.577 0.000 -0.068) 1.579 0.913 ( 1.577 0.000 -0.068) 1.579 1.019 ( -2.288 0.000 -2.568) 3.439 1.019 ( 2.288 0.000 -2.568) 3.439 1.261 ( -1.168 0.000 0.523) 1.280 1.261 ( 1.168 0.000 0.523) 1.280 1.490 ( -2.451 0.000 -1.452) 2.849 1.490 ( 2.451 0.000 -1.452) 2.849 1.647 ( -2.374 0.000 1.180) 2.651 1.647 ( 2.374 0.000 1.180) 2.651 1.668 ( -2.398 0.000 0.085) 2.399 1.668 ( 2.398 0.000 0.085) 2.399 1.783 ( -2.271 0.000 -0.049) 2.271 1.783 ( 2.271 0.000 -0.049) 2.271 1.988 ( -1.410 0.000 1.324) 1.934 1.988 ( 1.410 0.000 1.324) 1.934 2.108 ( -1.100 0.000 1.626) 1.964 2.108 ( 1.100 0.000 1.626) 1.964 2.166 ( -1.616 0.000 0.271) 1.639 2.166 ( 1.616 0.000 0.271) 1.639 2.304 ( -1.789 0.000 0.802) 1.961 2.304 ( 1.789 0.000 0.802) 1.961 2.537 ( -1.407 0.000 0.381) 1.457 2.537 ( 1.407 0.000 0.381) 1.457 2.709 ( -1.248 0.000 -0.805) 1.485 2.709 ( 1.248 0.000 -0.805) 1.485 2.857 ( -4.407 0.000 2.136) 4.897 2.857 ( 4.407 0.000 2.136) 4.897 2.886 ( -4.487 0.000 1.709) 4.802 2.886 ( 4.487 0.000 1.709) 4.802 2.959 ( -2.730 0.000 -2.774) 3.892 2.959 ( 2.730 0.000 -2.774) 3.892 3.310 ( -1.573 0.000 0.346) 1.611 3.310 ( 1.573 0.000 0.346) 1.611 3.418 ( -0.908 0.000 -0.854) 1.246 3.418 ( 0.908 0.000 -0.854) 1.246 3.598 ( -7.826 0.000 1.305) 7.934 3.598 ( 7.826 0.000 1.305) 7.934 3.644 ( -9.885 0.000 -2.926) 10.309 3.644 ( 9.885 0.000 -2.926) 10.309 4.398 ( -0.673 0.000 -0.044) 0.675 4.398 ( 0.673 0.000 -0.044) 0.675 4.547 ( -1.383 0.000 0.242) 1.404 4.547 ( 1.383 0.000 0.242) 1.404 4.961 ( -0.762 0.000 0.412) 0.866 4.961 ( 0.762 0.000 0.412) 0.866 4.970 ( -0.744 0.000 -0.082) 0.748 4.970 ( 0.744 0.000 -0.082) 0.748 6.839 ( -0.941 0.000 2.807) 2.961 6.839 ( 0.941 0.000 2.807) 2.961 6.903 ( -0.683 0.000 -3.451) 3.518 6.903 ( 0.683 0.000 -3.451) 3.518 7.513 ( -1.072 0.000 1.996) 2.266 7.513 ( 1.072 0.000 1.996) 2.266 7.619 ( -0.856 0.000 -1.625) 1.837 7.619 ( 0.856 0.000 -1.625) 1.837 8.148 ( -0.680 0.000 -0.215) 0.713 8.148 ( 0.680 0.000 -0.215) 0.713 8.172 ( -0.662 0.000 0.471) 0.812 8.172 ( 0.662 0.000 0.471) 0.812 8.401 ( -0.930 0.000 0.234) 0.959 8.401 ( 0.930 0.000 0.234) 0.959 8.419 ( -0.207 0.000 -0.178) 0.273 8.419 ( 0.207 0.000 -0.178) 0.273 9.003 ( -1.343 0.000 3.337) 3.597 9.003 ( 1.343 0.000 3.337) 3.597 9.129 ( -1.913 0.000 -4.436) 4.831 9.129 ( 1.913 0.000 -4.436) 4.831 9.361 ( -1.693 0.000 -0.153) 1.699 9.361 ( 1.693 0.000 -0.153) 1.699 9.507 ( -0.368 0.000 -0.603) 0.706 9.507 ( 0.368 0.000 -0.603) 0.706 9.642 ( -0.996 0.000 1.206) 1.564 9.642 ( 0.996 0.000 1.206) 1.564 9.730 ( -2.813 0.000 2.754) 3.937 9.730 ( 2.813 0.000 2.754) 3.937 9.798 ( -4.947 0.000 -2.558) 5.569 9.798 ( 4.947 0.000 -2.558) 5.569 9.970 ( -0.782 0.000 0.025) 0.782 9.970 ( 0.782 0.000 0.025) 0.782 10.420 ( -0.702 0.000 2.457) 2.555 10.420 ( 0.702 0.000 2.457) 2.555 10.502 ( -0.481 0.000 -2.103) 2.158 10.502 ( 0.481 0.000 -2.103) 2.158 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.627 ( 0.000 -1.200 15.088) 15.136 0.888 ( 0.000 2.619 10.413) 10.737 0.895 ( 0.000 -0.096 -5.670) 5.670 1.141 ( 0.000 1.284 -7.303) 7.415 1.312 ( 0.000 -4.421 0.322) 4.432 1.370 ( 0.000 -2.839 -5.548) 6.232 1.405 ( 0.000 -0.141 -0.403) 0.427 1.433 ( 0.000 0.165 -2.150) 2.157 1.532 ( 0.000 5.391 14.153) 15.145 1.654 ( 0.000 2.037 5.229) 5.612 1.666 ( 0.000 0.902 -1.270) 1.557 1.745 ( 0.000 0.254 -1.371) 1.395 1.754 ( 0.000 2.814 -0.794) 2.924 1.849 ( 0.000 0.378 -5.272) 5.285 1.941 ( 0.000 -2.004 3.312) 3.871 2.046 ( 0.000 -1.145 -5.664) 5.779 2.070 ( 0.000 -0.120 1.623) 1.628 2.114 ( 0.000 -0.492 0.152) 0.515 2.137 ( 0.000 1.086 -1.829) 2.128 2.166 ( 0.000 0.534 -3.038) 3.084 2.325 ( 0.000 -0.086 5.486) 5.487 2.408 ( 0.000 -3.034 -1.133) 3.239 2.468 ( 0.000 -0.594 0.777) 0.978 2.505 ( 0.000 -0.406 -2.985) 3.012 2.565 ( 0.000 1.420 4.126) 4.363 2.609 ( 0.000 0.187 2.739) 2.745 2.648 ( 0.000 0.457 -0.593) 0.749 2.663 ( 0.000 1.997 -2.759) 3.406 2.777 ( 0.000 0.081 0.960) 0.963 2.823 ( 0.000 -1.891 -3.081) 3.615 2.966 ( 0.000 0.002 2.367) 2.367 3.026 ( 0.000 -0.598 -2.529) 2.599 3.172 ( 0.000 1.642 4.549) 4.837 3.267 ( 0.000 1.940 -3.560) 4.054 3.309 ( 0.000 -2.306 1.450) 2.723 3.345 ( 0.000 -1.408 -1.732) 2.232 3.511 ( 0.000 0.902 -0.031) 0.902 3.527 ( 0.000 1.483 -1.973) 2.468 4.027 ( 0.000 -5.906 1.716) 6.150 4.085 ( 0.000 -5.262 -3.780) 6.479 4.305 ( 0.000 5.549 3.447) 6.532 4.369 ( 0.000 6.646 -3.042) 7.310 4.555 ( 0.000 0.552 2.632) 2.690 4.585 ( 0.000 2.006 -0.563) 2.084 4.929 ( 0.000 0.559 2.025) 2.100 4.970 ( 0.000 -0.961 -1.875) 2.108 5.057 ( 0.000 -1.734 0.954) 1.979 5.077 ( 0.000 -0.976 -1.025) 1.416 6.765 ( 0.000 0.221 0.123) 0.253 6.789 ( 0.000 -0.090 -2.154) 2.156 6.974 ( 0.000 0.303 1.566) 1.595 6.994 ( 0.000 0.136 -0.586) 0.602 7.520 ( 0.000 -0.223 2.878) 2.887 7.568 ( 0.000 -0.871 -1.933) 2.120 7.629 ( 0.000 0.597 1.837) 1.931 7.672 ( 0.000 0.106 -2.365) 2.367 8.050 ( 0.000 0.617 0.730) 0.956 8.069 ( 0.000 1.361 -1.090) 1.744 8.220 ( 0.000 -0.952 0.292) 0.995 8.225 ( 0.000 -1.181 -0.206) 1.199 8.289 ( 0.000 0.078 0.560) 0.565 8.301 ( 0.000 -0.425 -0.658) 0.783 8.545 ( 0.000 -6.322 3.567) 7.258 8.582 ( 0.000 -4.247 -0.265) 4.255 8.887 ( 0.000 -0.439 1.735) 1.789 8.909 ( 0.000 0.823 -0.406) 0.918 9.023 ( 0.000 -1.540 4.235) 4.506 9.102 ( 0.000 -0.522 -3.170) 3.213 9.219 ( 0.000 0.772 0.705) 1.045 9.289 ( 0.000 -0.106 -5.789) 5.790 9.371 ( 0.000 -2.065 1.912) 2.814 9.424 ( 0.000 -2.455 -3.346) 4.150 9.547 ( 0.000 3.894 3.269) 5.085 9.616 ( 0.000 3.673 -3.490) 5.067 9.811 ( 0.000 -1.584 3.219) 3.588 9.847 ( 0.000 -0.411 -0.305) 0.512 10.031 ( 0.000 0.810 0.665) 1.048 10.045 ( 0.000 1.512 -0.688) 1.661 10.261 ( 0.000 -0.782 3.745) 3.826 10.326 ( 0.000 -1.681 -2.449) 2.971 10.407 ( 0.000 0.534 -0.077) 0.539 10.414 ( 0.000 0.915 -0.592) 1.089 10.508 ( 0.000 0.315 1.038) 1.084 10.528 ( 0.000 0.849 -0.885) 1.226 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.12 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 6.810 0.792 11.740) 13.595 0.840 ( -1.177 4.860 8.127) 9.542 0.963 ( 4.403 -0.615 -3.960) 5.954 1.103 ( -2.688 1.122 -6.783) 7.382 1.244 ( -5.047 -1.604 -0.746) 5.348 1.290 ( -4.023 -0.612 -5.321) 6.699 1.441 ( 1.096 0.318 -0.677) 1.327 1.456 ( 0.040 0.435 -1.890) 1.940 1.584 ( 3.463 -0.636 8.111) 8.842 1.668 ( -0.166 0.471 -1.000) 1.118 1.683 ( 0.928 0.909 2.281) 2.625 1.748 ( 0.527 -0.197 -0.546) 0.784 1.817 ( 5.592 2.848 2.001) 6.587 1.873 ( 1.567 -0.147 -1.299) 2.041 1.913 ( -1.414 -1.322 1.799) 2.642 1.969 ( -2.789 0.098 -2.993) 4.093 2.075 ( 0.436 0.641 3.687) 3.768 2.141 ( -0.280 -0.440 -0.085) 0.528 2.171 ( 1.482 0.590 -0.369) 1.637 2.224 ( 3.828 0.272 -4.994) 6.298 2.307 ( -0.049 0.334 5.001) 5.012 2.383 ( -0.301 -0.919 -1.309) 1.628 2.451 ( -1.982 1.106 3.079) 3.825 2.516 ( -0.472 -1.377 -0.260) 1.479 2.547 ( 1.032 -0.564 -1.445) 1.863 2.598 ( -2.776 0.729 -3.864) 4.813 2.671 ( 2.815 1.055 2.599) 3.974 2.696 ( 3.180 0.304 1.133) 3.389 2.822 ( 2.936 -0.905 0.120) 3.074 2.857 ( 3.274 -1.710 -2.286) 4.344 2.963 ( -0.208 0.156 2.403) 2.417 3.016 ( -0.757 -0.369 -2.165) 2.323 3.187 ( 1.842 1.429 3.289) 4.031 3.259 ( -0.768 0.333 -2.380) 2.523 3.319 ( 0.963 -1.004 0.667) 1.543 3.355 ( 1.061 -0.090 -2.254) 2.493 3.502 ( -0.831 0.753 0.415) 1.195 3.523 ( -0.442 1.027 -1.878) 2.185 3.993 ( -3.434 -4.994 2.840) 6.693 4.063 ( -2.377 -5.230 -3.916) 6.952 4.293 ( -0.533 5.096 2.329) 5.628 4.347 ( -1.741 6.296 -2.868) 7.134 4.568 ( 0.913 0.490 2.904) 3.083 4.603 ( 1.270 1.350 -0.732) 1.993 4.930 ( 0.201 0.632 1.751) 1.873 4.965 ( -0.365 -0.818 -1.630) 1.860 5.044 ( -1.227 -1.497 1.114) 2.233 5.067 ( -1.078 -0.880 -1.152) 1.807 6.785 ( 1.556 -0.190 0.015) 1.568 6.806 ( 1.638 -0.218 -1.964) 2.566 6.961 ( -1.214 0.143 1.077) 1.629 6.977 ( -1.573 0.234 -0.535) 1.677 7.510 ( -0.808 -0.187 2.971) 3.084 7.562 ( -0.467 -1.003 -2.253) 2.510 7.622 ( -0.664 0.712 2.126) 2.338 7.668 ( -0.436 -0.001 -2.367) 2.406 8.062 ( 1.064 0.440 0.801) 1.403 8.080 ( 0.959 1.130 -0.945) 1.758 8.215 ( -1.239 -1.196 1.260) 2.134 8.233 ( 0.397 -1.034 -0.611) 1.265 8.291 ( 0.201 -0.707 0.506) 0.892 8.308 ( 1.984 -0.424 -0.955) 2.243 8.515 ( -2.463 -3.405 3.669) 5.579 8.557 ( -2.328 -2.747 -0.559) 3.644 8.906 ( 1.651 -0.432 2.205) 2.789 8.946 ( 2.991 -0.099 -1.602) 3.395 9.022 ( 0.400 -1.032 3.805) 3.962 9.093 ( -0.479 0.045 -2.816) 2.857 9.209 ( -0.672 1.190 1.420) 1.971 9.283 ( -0.592 0.202 -5.697) 5.731 9.393 ( 2.042 -2.213 1.786) 3.502 9.438 ( 1.160 -2.484 -2.551) 3.745 9.559 ( 1.196 2.747 2.613) 3.975 9.626 ( 1.035 3.050 -3.855) 5.023 9.810 ( -0.345 -1.452 3.458) 3.766 9.849 ( -0.125 -0.143 -0.355) 0.403 9.995 ( -3.308 0.726 0.604) 3.440 10.009 ( -3.267 1.109 -0.684) 3.518 10.214 ( -4.411 -0.576 3.761) 5.825 10.279 ( -4.502 -1.516 -2.639) 5.434 10.415 ( 0.499 0.734 0.907) 1.269 10.432 ( 1.524 0.479 -0.530) 1.683 10.498 ( -0.965 0.392 0.833) 1.334 10.521 ( -0.513 0.663 -1.305) 1.551 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.25 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.844 ( 5.125 4.410 4.169) 7.944 0.867 ( 4.102 3.399 3.479) 6.363 1.029 ( 1.210 2.966 -0.507) 3.243 1.092 ( 1.835 0.565 -3.913) 4.358 1.196 ( 1.831 0.552 -0.942) 2.132 1.248 ( 0.604 0.427 -5.524) 5.573 1.430 ( -2.252 0.666 0.286) 2.366 1.445 ( -1.347 0.933 -0.796) 1.822 1.594 ( -1.291 -1.552 1.588) 2.568 1.623 ( -3.051 -0.622 -2.068) 3.738 1.689 ( 0.190 -0.975 4.142) 4.259 1.769 ( 0.501 -2.463 -2.447) 3.508 1.858 ( -0.770 -0.163 1.655) 1.832 1.871 ( -1.625 -0.495 0.906) 1.926 1.952 ( 1.441 0.424 -0.389) 1.552 1.968 ( 1.894 0.877 -1.337) 2.478 2.098 ( 2.429 0.858 3.388) 4.256 2.133 ( -0.444 -0.762 0.483) 1.006 2.173 ( -0.849 0.982 1.242) 1.797 2.223 ( -1.781 1.621 -2.037) 3.154 2.351 ( -3.073 0.562 4.403) 5.399 2.374 ( 2.843 0.318 3.603) 4.601 2.452 ( 2.565 0.816 1.885) 3.287 2.517 ( 1.910 0.688 -2.800) 3.458 2.565 ( 0.774 -1.249 -0.704) 1.630 2.609 ( 4.068 -0.646 -3.914) 5.682 2.711 ( 1.599 0.379 2.034) 2.615 2.755 ( 2.085 0.778 -0.750) 2.348 2.870 ( 1.672 -1.888 1.825) 3.113 2.914 ( 1.366 -1.538 -1.628) 2.623 2.969 ( 1.138 0.564 1.831) 2.229 3.005 ( -0.263 -0.363 -1.364) 1.436 3.243 ( 1.446 -0.756 0.065) 1.633 3.256 ( 2.646 -0.354 -0.891) 2.814 3.345 ( 2.125 0.873 1.034) 2.520 3.394 ( 2.947 2.084 -3.016) 4.704 3.479 ( -1.547 0.194 1.052) 1.881 3.505 ( -1.484 0.258 -1.673) 2.251 3.895 ( -6.131 -2.350 4.238) 7.815 3.983 ( -5.735 -3.587 -4.431) 8.086 4.304 ( 1.669 3.127 0.514) 3.582 4.328 ( 0.490 4.173 -1.722) 4.541 4.574 ( -0.530 0.041 2.950) 2.998 4.615 ( -0.377 0.183 -1.247) 1.316 4.938 ( 0.604 0.667 1.155) 1.464 4.959 ( -0.206 -0.387 -0.802) 0.914 5.014 ( -1.593 -0.933 1.058) 2.127 5.036 ( -1.819 -0.433 -1.115) 2.177 6.812 ( 0.959 -0.367 1.089) 1.497 6.842 ( 1.592 -0.715 -1.808) 2.513 6.926 ( -2.211 0.125 0.427) 2.255 6.943 ( -1.655 0.033 -1.134) 2.006 7.497 ( -0.286 -0.022 2.999) 3.013 7.553 ( -0.450 -0.881 -2.407) 2.602 7.606 ( -0.714 0.625 2.242) 2.435 7.654 ( -0.935 -0.161 -2.283) 2.472 8.088 ( 1.432 0.009 0.873) 1.677 8.103 ( 1.332 0.551 -0.610) 1.565 8.186 ( -1.221 -1.348 1.395) 2.292 8.213 ( -1.692 -1.308 -1.374) 2.542 8.328 ( 2.672 -0.244 1.524) 3.086 8.358 ( 2.420 -0.815 -1.273) 2.853 8.468 ( -1.952 -0.141 2.536) 3.203 8.502 ( -2.844 -0.656 -0.703) 3.003 8.941 ( 1.647 -0.255 3.000) 3.432 8.988 ( 1.309 -1.383 -0.785) 2.059 9.065 ( 2.908 -0.062 0.813) 3.021 9.102 ( 1.947 0.626 -2.181) 2.990 9.210 ( 1.364 1.558 1.129) 2.359 9.271 ( -0.291 0.893 -4.798) 4.889 9.443 ( 2.750 -2.061 1.557) 3.773 9.470 ( 2.246 -2.869 -1.341) 3.883 9.590 ( 1.634 1.401 1.818) 2.817 9.651 ( 1.033 1.635 -3.964) 4.411 9.786 ( -2.283 -0.376 3.180) 3.933 9.824 ( -2.643 0.797 -0.262) 2.773 9.914 ( -4.216 0.267 1.439) 4.463 9.944 ( -2.746 -0.141 -1.202) 3.001 10.102 ( -6.195 -0.363 3.165) 6.966 10.158 ( -7.295 -1.140 -2.398) 7.764 10.420 ( -0.045 0.600 2.550) 2.620 10.459 ( 0.511 -0.122 0.692) 0.868 10.477 ( -0.506 0.762 -0.695) 1.149 10.513 ( -0.253 0.339 -2.240) 2.280 ======================= Grid point 138 (49/60) ======================= q-point: ( 0.38 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 3.279 4.015 0.859) 5.255 0.948 ( 3.330 3.284 -2.029) 5.098 1.047 ( 0.447 5.775 2.019) 6.135 1.117 ( -0.658 5.132 -3.975) 6.525 1.268 ( 1.198 0.049 -0.030) 1.199 1.283 ( 1.224 -0.464 -1.693) 2.140 1.388 ( 1.232 -0.340 1.439) 1.924 1.433 ( 2.291 -0.615 -1.587) 2.854 1.591 ( 1.129 -1.216 0.853) 1.866 1.611 ( 1.593 -0.811 -1.127) 2.113 1.679 ( -1.883 -2.577 2.775) 4.229 1.722 ( -4.822 -3.146 -0.753) 5.806 1.815 ( -2.054 1.210 1.240) 2.688 1.850 ( -1.310 1.246 -1.892) 2.617 1.964 ( 0.753 0.004 1.604) 1.772 1.996 ( 0.640 -0.465 -1.180) 1.420 2.097 ( -1.520 1.284 2.814) 3.446 2.122 ( -0.797 0.473 0.362) 0.995 2.175 ( -0.657 -0.936 0.992) 1.514 2.193 ( -1.226 -0.902 -1.111) 1.885 2.306 ( 0.214 2.592 3.505) 4.365 2.361 ( -1.406 1.974 -1.501) 2.851 2.512 ( 0.574 -0.944 1.999) 2.284 2.548 ( -0.768 -1.252 -1.687) 2.236 2.639 ( 6.174 0.297 3.090) 6.910 2.692 ( 3.848 -0.409 -0.192) 3.874 2.761 ( 2.248 0.204 0.009) 2.258 2.785 ( 2.850 0.157 -1.168) 3.084 2.888 ( 0.232 -0.611 1.690) 1.812 2.920 ( 0.134 -0.468 -0.750) 0.894 2.982 ( -0.638 0.778 0.516) 1.131 3.000 ( -0.725 -0.329 -0.579) 0.984 3.267 ( 1.875 -0.634 1.155) 2.291 3.305 ( 1.324 -1.330 -2.269) 2.945 3.420 ( -0.450 0.023 0.264) 0.522 3.432 ( 0.826 0.304 -0.651) 1.095 3.472 ( 3.324 1.128 0.611) 3.563 3.504 ( 4.928 1.687 -2.474) 5.766 3.760 ( -7.181 -0.008 3.497) 7.988 3.838 ( -8.599 -0.902 -4.155) 9.593 4.354 ( 3.129 1.296 0.355) 3.406 4.369 ( 2.991 1.422 -1.079) 3.483 4.549 ( -1.739 -0.625 2.269) 2.926 4.584 ( -2.603 -0.825 -1.297) 3.023 4.952 ( 0.668 0.485 0.692) 1.077 4.960 ( 0.359 0.187 -0.104) 0.417 4.985 ( -1.286 -0.256 0.727) 1.499 5.001 ( -1.629 0.161 -0.818) 1.830 6.824 ( 0.454 -0.278 2.313) 2.373 6.856 ( -0.517 -0.753 1.039) 1.383 6.892 ( -0.599 -0.022 -2.096) 2.180 6.914 ( -1.167 -0.427 -2.449) 2.746 7.501 ( 0.663 0.334 2.722) 2.821 7.540 ( -0.877 0.146 -0.293) 0.936 7.601 ( 0.239 -0.245 0.275) 0.439 7.634 ( -1.080 -0.348 -2.097) 2.384 8.115 ( 1.245 -0.489 0.715) 1.517 8.129 ( 1.152 -0.208 -0.620) 1.324 8.168 ( -0.742 -1.134 0.787) 1.567 8.183 ( -1.189 -1.014 -0.714) 1.718 8.375 ( 1.852 0.116 1.236) 2.229 8.393 ( 1.139 -0.388 -0.447) 1.284 8.440 ( -0.994 0.736 0.687) 1.415 8.453 ( -2.025 0.350 -0.422) 2.098 8.972 ( 1.626 -0.041 3.314) 3.692 9.012 ( 0.695 -0.522 1.239) 1.513 9.093 ( 0.849 -0.199 -1.282) 1.550 9.144 ( 0.338 -0.730 -4.537) 4.607 9.278 ( 5.123 1.551 0.455) 5.372 9.304 ( 4.246 1.211 -2.172) 4.921 9.494 ( 2.065 -1.506 1.281) 2.859 9.517 ( 1.219 -2.585 -0.915) 3.001 9.609 ( 0.049 0.473 1.758) 1.821 9.652 ( -0.621 0.133 -2.211) 2.300 9.737 ( -1.568 0.944 1.848) 2.601 9.766 ( -1.723 1.662 -0.809) 2.527 9.832 ( -4.684 -0.178 3.064) 5.600 9.890 ( -3.284 -0.469 -2.228) 3.996 9.996 ( -3.996 -0.530 1.012) 4.156 10.015 ( -5.700 -0.892 -0.813) 5.827 10.418 ( 0.011 0.459 3.096) 3.130 10.442 ( -1.147 0.176 2.158) 2.450 10.490 ( 0.847 0.255 -2.101) 2.280 10.510 ( -0.199 0.136 -2.533) 2.544 ======================= Grid point 139 (50/60) ======================= q-point: (-0.50 0.17 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.978 ( -2.179 5.538 0.229) 5.956 0.978 ( 2.179 5.538 0.229) 5.956 1.062 ( -3.099 3.715 -2.428) 5.413 1.062 ( 3.099 3.715 -2.428) 5.413 1.271 ( -0.927 0.999 0.143) 1.370 1.271 ( 0.927 0.999 0.143) 1.370 1.474 ( -2.492 -1.590 -0.932) 3.100 1.474 ( 2.492 -1.590 -0.932) 3.100 1.613 ( -1.385 -2.657 0.590) 3.054 1.613 ( 1.385 -2.657 0.590) 3.054 1.649 ( -0.754 -1.565 0.283) 1.760 1.649 ( 0.754 -1.565 0.283) 1.760 1.813 ( -1.781 2.209 0.395) 2.865 1.813 ( 1.781 2.209 0.395) 2.865 1.985 ( -1.269 -0.318 0.653) 1.462 1.985 ( 1.269 -0.318 0.653) 1.462 2.103 ( -1.069 -0.263 1.039) 1.513 2.103 ( 1.069 -0.263 1.039) 1.513 2.161 ( -1.091 -0.390 0.207) 1.177 2.161 ( 1.091 -0.390 0.207) 1.177 2.339 ( -1.759 2.803 1.083) 3.482 2.339 ( 1.759 2.803 1.083) 3.482 2.520 ( -1.197 -1.350 -0.287) 1.827 2.520 ( 1.197 -1.350 -0.287) 1.827 2.708 ( -1.974 -0.159 0.056) 1.982 2.708 ( 1.974 -0.159 0.056) 1.982 2.826 ( -2.127 -2.250 -0.014) 3.096 2.826 ( 2.127 -2.250 -0.014) 3.096 2.905 ( -2.955 1.345 3.438) 4.729 2.905 ( 2.955 1.345 3.438) 4.729 2.972 ( -1.464 0.990 -2.221) 2.838 2.972 ( 1.464 0.990 -2.221) 2.838 3.308 ( -1.526 -0.075 0.288) 1.554 3.308 ( 1.526 -0.075 0.288) 1.554 3.402 ( -1.020 -1.361 -0.896) 1.923 3.402 ( 1.020 -1.361 -0.896) 1.923 3.611 ( -6.965 1.111 1.325) 7.177 3.611 ( 6.965 1.111 1.325) 7.177 3.657 ( -8.580 1.087 -2.785) 9.086 3.657 ( 8.580 1.087 -2.785) 9.086 4.404 ( -0.729 0.616 -0.041) 0.955 4.404 ( 0.729 0.616 -0.041) 0.955 4.534 ( -1.321 -1.180 0.216) 1.784 4.534 ( 1.321 -1.180 0.216) 1.784 4.964 ( -0.702 0.231 0.580) 0.940 4.964 ( 0.702 0.231 0.580) 0.940 4.974 ( -0.987 0.421 -0.341) 1.126 4.974 ( 0.987 0.421 -0.341) 1.126 6.836 ( -0.895 -0.248 2.654) 2.812 6.836 ( 0.895 -0.248 2.654) 2.812 6.896 ( -0.645 -0.587 -3.217) 3.333 6.896 ( 0.645 -0.587 -3.217) 3.333 7.520 ( -1.096 0.603 1.837) 2.223 7.520 ( 1.096 0.603 1.837) 2.223 7.613 ( -0.911 -0.562 -1.520) 1.859 7.613 ( 0.911 -0.562 -1.520) 1.859 8.136 ( -0.692 -0.876 -0.056) 1.118 8.136 ( 0.692 -0.876 -0.056) 1.118 8.165 ( -0.644 -0.643 0.111) 0.917 8.165 ( 0.644 -0.643 0.111) 0.917 8.401 ( -0.620 0.119 0.567) 0.848 8.401 ( 0.620 0.119 0.567) 0.848 8.428 ( -0.135 0.641 -0.239) 0.697 8.428 ( 0.135 0.641 -0.239) 0.697 9.004 ( -1.307 0.118 3.399) 3.643 9.004 ( 1.307 0.118 3.399) 3.643 9.121 ( -1.828 -0.662 -4.452) 4.858 9.121 ( 1.828 -0.662 -4.452) 4.858 9.367 ( -1.291 0.625 -0.201) 1.449 9.367 ( 1.291 0.625 -0.201) 1.449 9.500 ( -0.150 -0.852 -0.230) 0.896 9.500 ( 0.150 -0.852 -0.230) 0.896 9.633 ( -2.021 -0.266 0.678) 2.148 9.633 ( 2.021 -0.266 0.678) 2.148 9.747 ( -2.612 0.673 2.514) 3.687 9.747 ( 2.612 0.673 2.514) 3.687 9.797 ( -4.627 0.348 -2.345) 5.198 9.797 ( 4.627 0.348 -2.345) 5.198 9.961 ( -0.660 -0.863 0.124) 1.094 9.961 ( 0.660 -0.863 0.124) 1.094 10.424 ( -0.634 0.342 2.722) 2.816 10.424 ( 0.634 0.342 2.722) 2.816 10.503 ( -0.468 0.074 -2.349) 2.397 10.503 ( 0.468 0.074 -2.349) 2.397 ======================= Grid point 144 (51/60) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.000 8.096 7.159) 10.807 0.894 ( 0.000 1.813 -10.407) 10.564 0.998 ( 0.000 4.906 10.448) 11.542 1.170 ( 0.000 0.027 -6.299) 6.299 1.198 ( 0.000 -5.326 0.745) 5.378 1.283 ( 0.000 -4.187 -2.901) 5.094 1.383 ( 0.000 -1.513 -1.694) 2.272 1.421 ( 0.000 -1.474 -2.867) 3.223 1.631 ( 0.000 3.860 3.346) 5.108 1.675 ( 0.000 0.621 0.017) 0.622 1.685 ( 0.000 -0.266 3.477) 3.487 1.742 ( 0.000 -0.599 -2.461) 2.533 1.845 ( 0.000 2.805 1.855) 3.363 1.867 ( 0.000 2.963 -0.526) 3.009 1.922 ( 0.000 1.016 5.279) 5.376 2.017 ( 0.000 -1.068 -1.131) 1.555 2.061 ( 0.000 -0.845 0.986) 1.299 2.097 ( 0.000 -1.293 -1.225) 1.781 2.156 ( 0.000 0.298 -1.416) 1.447 2.179 ( 0.000 1.006 -3.225) 3.378 2.271 ( 0.000 -5.094 1.649) 5.354 2.305 ( 0.000 -4.734 -0.508) 4.761 2.476 ( 0.000 2.172 2.546) 3.347 2.538 ( 0.000 2.212 -1.896) 2.914 2.614 ( 0.000 0.562 2.632) 2.691 2.637 ( 0.000 2.052 3.866) 4.377 2.665 ( 0.000 2.851 0.483) 2.892 2.729 ( 0.000 3.726 -2.379) 4.421 2.768 ( 0.000 -0.779 -1.189) 1.421 2.789 ( 0.000 -0.670 -2.479) 2.568 2.942 ( 0.000 -2.225 1.725) 2.815 2.993 ( 0.000 -2.719 -2.772) 3.883 3.217 ( 0.000 1.544 4.068) 4.351 3.258 ( 0.000 -2.041 -0.077) 2.042 3.283 ( 0.000 0.529 1.411) 1.507 3.336 ( 0.000 0.342 -1.091) 1.143 3.535 ( 0.000 1.440 0.641) 1.576 3.564 ( 0.000 1.674 -1.978) 2.591 3.912 ( 0.000 -4.215 0.413) 4.235 3.973 ( 0.000 -5.141 -4.833) 7.057 4.418 ( 0.000 4.660 4.194) 6.269 4.481 ( 0.000 2.903 -1.646) 3.338 4.590 ( 0.000 3.083 2.031) 3.692 4.634 ( 0.000 2.262 -1.977) 3.004 4.927 ( 0.000 -1.074 0.353) 1.130 4.938 ( 0.000 -1.921 -0.636) 2.024 5.025 ( 0.000 -0.754 1.476) 1.657 5.051 ( 0.000 -1.303 -1.078) 1.691 6.772 ( 0.000 0.442 -0.344) 0.560 6.787 ( 0.000 -0.123 -1.773) 1.777 6.980 ( 0.000 0.309 1.073) 1.116 6.995 ( 0.000 -0.162 -0.514) 0.539 7.516 ( 0.000 -0.076 1.925) 1.927 7.543 ( 0.000 -1.299 -0.723) 1.486 7.648 ( 0.000 1.059 0.928) 1.408 7.673 ( 0.000 -0.065 -1.384) 1.386 8.074 ( 0.000 1.527 1.423) 2.088 8.101 ( 0.000 1.304 -0.999) 1.643 8.200 ( 0.000 -0.714 0.453) 0.846 8.207 ( 0.000 -0.196 -0.614) 0.644 8.258 ( 0.000 -2.680 1.181) 2.929 8.279 ( 0.000 -1.974 -1.104) 2.262 8.450 ( 0.000 -1.891 3.453) 3.937 8.494 ( 0.000 -3.375 -0.862) 3.484 8.897 ( 0.000 1.253 2.186) 2.520 8.939 ( 0.000 1.493 -1.725) 2.281 8.992 ( 0.000 -0.943 4.203) 4.307 9.073 ( 0.000 -2.149 -3.211) 3.864 9.242 ( 0.000 1.343 0.301) 1.376 9.290 ( 0.000 0.429 -4.142) 4.164 9.322 ( 0.000 -2.337 0.903) 2.506 9.365 ( 0.000 -2.864 -3.092) 4.215 9.626 ( 0.000 3.349 3.937) 5.168 9.687 ( 0.000 2.350 -1.593) 2.839 9.777 ( 0.000 -1.173 2.581) 2.835 9.827 ( 0.000 -1.499 -1.824) 2.360 10.059 ( 0.000 1.771 1.572) 2.368 10.083 ( 0.000 1.644 -0.646) 1.766 10.237 ( 0.000 -1.118 2.403) 2.651 10.281 ( 0.000 -2.393 -1.724) 2.949 10.421 ( 0.000 0.715 -0.003) 0.715 10.430 ( 0.000 0.465 -0.767) 0.897 10.523 ( 0.000 0.915 1.164) 1.481 10.542 ( 0.000 0.335 -0.712) 0.787 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.12 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.786 ( 7.207 6.586 6.748) 11.868 0.939 ( 2.983 2.405 -6.607) 7.638 0.997 ( 1.974 5.164 6.683) 8.674 1.131 ( -2.309 0.162 -4.131) 4.735 1.198 ( -0.556 -1.714 -0.361) 1.838 1.258 ( -1.406 -2.052 -4.391) 5.047 1.413 ( 1.863 -2.921 -1.046) 3.619 1.434 ( 1.627 -2.036 -2.195) 3.407 1.611 ( -1.567 2.380 2.919) 4.079 1.672 ( -1.615 0.473 -2.501) 3.014 1.685 ( -0.897 -0.951 2.399) 2.732 1.728 ( -1.708 -1.419 -1.274) 2.560 1.856 ( 0.670 0.778 2.092) 2.330 1.883 ( 0.561 0.395 -0.592) 0.907 1.938 ( 3.603 3.623 2.861) 5.856 1.985 ( -1.008 1.476 -0.883) 1.994 2.085 ( 1.052 0.507 2.804) 3.038 2.128 ( -1.600 -0.842 0.441) 1.860 2.173 ( 2.268 -0.590 -0.827) 2.485 2.210 ( 3.873 -1.343 -3.250) 5.231 2.279 ( 1.049 -3.331 2.034) 4.042 2.311 ( 1.361 -4.644 -0.817) 4.908 2.482 ( 0.584 2.871 2.788) 4.044 2.536 ( -0.403 2.347 0.642) 2.466 2.576 ( -1.385 2.427 -0.022) 2.794 2.624 ( -2.394 0.721 -2.051) 3.234 2.702 ( 2.399 1.769 2.934) 4.183 2.728 ( 1.798 2.905 1.112) 3.593 2.797 ( 1.419 -1.017 -1.434) 2.260 2.819 ( 2.752 -1.589 -2.108) 3.813 2.946 ( 0.556 -1.635 1.436) 2.246 2.990 ( -0.212 -2.338 -2.331) 3.309 3.219 ( 0.287 0.763 2.230) 2.374 3.244 ( -0.872 -1.178 -0.331) 1.503 3.313 ( 2.575 1.125 2.340) 3.657 3.366 ( 2.611 0.442 -1.265) 2.934 3.523 ( -1.251 1.220 0.760) 1.906 3.551 ( -1.346 1.242 -1.777) 2.551 3.893 ( -1.819 -3.641 0.863) 4.161 3.955 ( -1.788 -4.860 -4.539) 6.886 4.401 ( -1.396 4.565 3.439) 5.883 4.456 ( -2.186 3.245 -1.698) 4.265 4.592 ( -0.050 2.010 2.069) 2.885 4.635 ( -0.197 1.308 -1.889) 2.306 4.932 ( 0.490 -0.785 0.364) 0.994 4.941 ( 0.353 -1.337 -0.457) 1.456 5.016 ( -0.772 -0.566 1.463) 1.748 5.043 ( -0.758 -1.186 -1.156) 1.821 6.785 ( 1.114 0.220 -0.105) 1.141 6.800 ( 1.229 -0.292 -1.569) 2.015 6.965 ( -1.442 0.199 0.770) 1.647 6.978 ( -1.565 -0.175 -0.620) 1.692 7.507 ( -0.693 -0.018 1.914) 2.036 7.536 ( -0.541 -1.323 -0.940) 1.711 7.642 ( -0.599 1.071 1.080) 1.634 7.668 ( -0.567 -0.101 -1.310) 1.431 8.080 ( 0.567 1.235 1.346) 1.913 8.107 ( 0.506 1.158 -1.124) 1.691 8.186 ( -1.845 -1.261 1.234) 2.553 8.208 ( -0.561 -1.227 -1.046) 1.707 8.267 ( 1.569 -1.281 0.868) 2.203 8.283 ( 1.737 -1.690 -0.507) 2.476 8.465 ( 0.838 -0.967 2.567) 2.868 8.500 ( 0.107 -2.265 -0.719) 2.379 8.909 ( 1.191 0.736 2.214) 2.620 8.948 ( 0.439 -0.195 -0.786) 0.921 9.012 ( 2.341 0.447 2.417) 3.395 9.079 ( 0.759 -1.376 -3.234) 3.596 9.238 ( -0.133 1.640 0.911) 1.881 9.291 ( 0.065 0.707 -4.065) 4.126 9.337 ( 1.451 -2.814 0.967) 3.311 9.376 ( 0.968 -3.027 -2.703) 4.172 9.625 ( 0.045 3.131 3.722) 4.864 9.687 ( 0.037 1.985 -1.835) 2.703 9.780 ( 0.212 -0.883 2.614) 2.767 9.832 ( 0.355 -1.426 -1.958) 2.448 10.019 ( -3.746 1.511 1.436) 4.287 10.039 ( -4.019 1.362 -0.470) 4.270 10.196 ( -3.937 -0.782 2.273) 4.613 10.238 ( -4.112 -2.165 -1.777) 4.975 10.431 ( 0.547 0.693 0.696) 1.124 10.441 ( 0.999 0.285 -0.100) 1.044 10.513 ( -0.887 0.889 0.604) 1.393 10.532 ( -0.780 0.254 -1.180) 1.437 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.25 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.932 ( 5.612 4.023 5.659) 8.927 0.976 ( 2.430 4.572 0.484) 5.200 1.102 ( 5.295 3.925 -0.805) 6.640 1.132 ( 4.324 3.056 -1.640) 5.543 1.204 ( 1.717 0.307 -1.387) 2.229 1.255 ( 1.449 0.298 -4.816) 5.038 1.435 ( -0.476 -0.873 0.346) 1.053 1.465 ( 0.184 -0.018 -2.502) 2.509 1.558 ( -3.104 -1.034 2.226) 3.958 1.594 ( -4.294 -1.645 -1.557) 4.855 1.655 ( -1.553 -1.833 1.611) 2.892 1.696 ( -1.583 -3.471 -1.848) 4.239 1.873 ( -0.198 1.786 2.426) 3.019 1.889 ( -0.348 1.580 0.649) 1.744 1.961 ( 0.075 0.052 0.121) 0.152 1.988 ( -0.854 -0.071 -1.925) 2.107 2.105 ( 1.232 0.343 1.801) 2.208 2.127 ( 2.363 1.120 0.509) 2.664 2.188 ( -0.957 0.163 1.127) 1.488 2.232 ( -1.768 -0.829 -2.614) 3.263 2.321 ( 1.758 -2.697 2.120) 3.855 2.361 ( 1.865 -2.931 -1.900) 3.960 2.491 ( 0.791 3.605 4.250) 5.629 2.544 ( 3.084 2.131 1.528) 4.049 2.577 ( -0.978 1.337 -1.839) 2.475 2.606 ( 2.400 0.136 -2.237) 3.284 2.733 ( 1.488 1.463 2.780) 3.477 2.787 ( 2.153 2.127 -1.106) 3.222 2.820 ( 1.804 -2.495 2.958) 4.270 2.872 ( 2.131 -1.967 -1.648) 3.336 2.968 ( 1.543 -0.669 0.745) 1.840 2.990 ( 0.332 -1.101 -0.839) 1.423 3.230 ( 0.609 -0.348 -0.054) 0.704 3.241 ( 1.151 -0.795 -1.145) 1.808 3.382 ( 4.312 2.309 2.597) 5.538 3.428 ( 3.218 0.772 -1.140) 3.501 3.488 ( -1.979 0.692 0.746) 2.225 3.513 ( -2.256 0.364 -1.462) 2.713 3.843 ( -3.216 -1.883 1.611) 4.060 3.903 ( -3.438 -3.687 -3.865) 6.353 4.379 ( -0.489 3.479 1.724) 3.914 4.412 ( -1.738 2.968 -1.251) 3.660 4.577 ( -1.555 0.454 1.867) 2.472 4.615 ( -1.931 -0.356 -1.727) 2.615 4.944 ( 0.673 -0.283 0.536) 0.905 4.952 ( 0.726 -0.265 -0.246) 0.811 4.999 ( -0.905 -0.173 1.222) 1.530 5.023 ( -1.132 -0.747 -1.168) 1.790 6.807 ( 0.905 0.033 0.780) 1.195 6.826 ( 1.119 -0.705 -0.971) 1.641 6.927 ( -2.142 0.067 0.013) 2.143 6.939 ( -2.102 -0.332 -1.070) 2.382 7.498 ( 0.067 0.209 1.877) 1.890 7.530 ( 0.101 -1.180 -1.189) 1.678 7.624 ( -1.145 0.969 1.226) 1.938 7.650 ( -1.128 -0.223 -1.277) 1.719 8.094 ( 0.789 0.619 1.106) 1.493 8.118 ( 0.532 0.761 -1.181) 1.502 8.153 ( -1.100 -1.593 1.342) 2.356 8.180 ( -1.545 -1.686 -1.424) 2.694 8.322 ( 3.219 -0.235 1.232) 3.455 8.337 ( 2.916 -0.976 -0.023) 3.075 8.469 ( -0.471 0.178 1.310) 1.403 8.488 ( -1.247 -0.663 -0.382) 1.464 8.938 ( 1.567 0.047 2.019) 2.556 8.961 ( 1.316 -1.083 0.188) 1.715 9.072 ( 2.712 0.746 0.069) 2.813 9.105 ( 1.703 -0.327 -2.674) 3.187 9.251 ( 1.898 2.303 0.936) 3.127 9.296 ( 0.710 1.522 -3.340) 3.738 9.381 ( 3.055 -3.454 0.687) 4.662 9.402 ( 1.842 -3.274 -1.374) 4.000 9.631 ( 0.433 2.330 2.801) 3.669 9.686 ( -0.432 1.072 -1.928) 2.248 9.778 ( -0.618 0.020 2.228) 2.312 9.828 ( -1.191 -0.743 -1.858) 2.329 9.927 ( -5.049 1.005 1.572) 5.383 9.949 ( -4.127 0.464 -0.678) 4.208 10.092 ( -6.107 -0.444 1.961) 6.429 10.126 ( -6.804 -1.696 -1.550) 7.181 10.435 ( -0.174 0.740 2.494) 2.607 10.455 ( 0.085 -0.216 1.797) 1.812 10.496 ( -0.452 0.949 -1.507) 1.837 10.518 ( -0.506 0.055 -2.334) 2.389 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.38 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( 4.301 4.936 1.834) 6.799 1.045 ( 4.032 4.747 -0.737) 6.272 1.182 ( 1.614 6.146 2.535) 6.842 1.235 ( 2.460 4.269 -1.418) 5.127 1.254 ( 1.926 -0.607 -1.324) 2.415 1.292 ( 0.570 1.682 -4.198) 4.559 1.379 ( -0.670 -0.409 1.705) 1.877 1.427 ( -1.761 -0.172 -2.425) 3.002 1.545 ( 1.332 -2.846 2.354) 3.926 1.576 ( 0.904 -2.601 -0.699) 2.841 1.621 ( -1.994 -2.427 0.852) 3.255 1.645 ( -3.586 -3.434 -1.060) 5.077 1.847 ( -0.832 1.710 1.529) 2.440 1.872 ( -0.708 0.757 -1.054) 1.478 1.968 ( 0.192 -0.090 0.365) 0.421 1.985 ( 0.077 -0.838 -0.998) 1.306 2.114 ( -0.855 0.331 2.175) 2.360 2.130 ( -2.068 0.768 1.284) 2.552 2.172 ( -0.510 0.446 -0.277) 0.732 2.178 ( -2.702 -0.460 -1.962) 3.371 2.346 ( 2.301 0.877 1.694) 2.989 2.390 ( 1.757 -0.072 -2.151) 2.778 2.500 ( -0.851 0.806 2.124) 2.426 2.539 ( -2.201 0.422 -1.436) 2.662 2.640 ( 3.743 -0.085 1.735) 4.127 2.672 ( 4.445 -1.296 -1.121) 4.764 2.771 ( 0.923 0.119 0.949) 1.330 2.780 ( -0.809 -0.789 0.179) 1.145 2.885 ( 3.109 0.568 2.745) 4.186 2.909 ( 2.244 -0.070 1.123) 2.511 2.991 ( 0.355 -0.166 0.230) 0.454 2.999 ( 0.181 0.218 -0.570) 0.636 3.259 ( 2.451 -0.062 0.083) 2.453 3.279 ( 2.411 -1.019 -1.780) 3.166 3.414 ( -3.207 -0.255 0.857) 3.329 3.428 ( -2.907 -0.588 -0.599) 3.026 3.509 ( 5.868 2.056 1.163) 6.325 3.541 ( 5.357 1.288 -1.648) 5.751 3.762 ( -5.007 0.302 1.555) 5.252 3.812 ( -5.870 -1.489 -3.128) 6.816 4.389 ( 1.521 1.830 0.667) 2.472 4.405 ( 1.137 1.654 -0.795) 2.159 4.532 ( -2.714 -0.714 1.437) 3.152 4.560 ( -3.409 -1.409 -1.219) 3.885 4.958 ( 0.653 0.171 0.665) 0.948 4.967 ( 0.630 0.072 -0.084) 0.639 4.983 ( -0.598 0.316 0.643) 0.933 5.001 ( -1.019 -0.150 -0.970) 1.415 6.820 ( 0.470 -0.046 1.837) 1.897 6.839 ( 0.027 -0.820 0.828) 1.166 6.890 ( -1.290 -0.078 -1.607) 2.062 6.902 ( -1.509 -0.619 -2.007) 2.586 7.512 ( 1.179 0.643 1.878) 2.309 7.539 ( 0.657 -0.343 -0.585) 0.944 7.600 ( -1.072 0.300 0.656) 1.292 7.624 ( -1.448 -0.525 -1.434) 2.105 8.109 ( 0.711 0.053 0.686) 0.989 8.125 ( 0.171 -0.028 -0.890) 0.907 8.142 ( -0.091 -1.189 0.640) 1.354 8.157 ( -0.749 -1.287 -0.865) 1.722 8.377 ( 2.199 0.153 1.137) 2.481 8.386 ( 1.924 -0.259 0.365) 1.975 8.452 ( -1.062 0.348 0.405) 1.189 8.458 ( -1.513 0.096 -0.157) 1.524 8.974 ( 2.009 0.216 2.630) 3.317 8.997 ( 1.825 -0.755 1.301) 2.365 9.094 ( 0.029 0.371 -1.580) 1.624 9.126 ( -0.175 -0.923 -3.715) 3.832 9.318 ( 4.354 2.164 0.160) 4.864 9.336 ( 3.383 1.712 -1.488) 4.073 9.448 ( 2.919 -2.617 0.338) 3.935 9.453 ( 2.698 -3.115 -0.221) 4.127 9.629 ( -0.817 1.357 1.512) 2.190 9.663 ( -1.281 0.475 -1.570) 2.081 9.752 ( -1.682 0.509 1.697) 2.443 9.786 ( -2.724 -0.237 -1.183) 2.979 9.845 ( -2.673 1.633 1.925) 3.677 9.885 ( -2.863 0.105 -1.875) 3.424 9.978 ( -4.573 -1.059 0.998) 4.799 9.989 ( -5.891 -1.402 -0.212) 6.059 10.430 ( -0.155 0.614 3.294) 3.355 10.445 ( -0.798 0.010 3.042) 3.145 10.498 ( 0.334 0.440 -2.773) 2.828 10.511 ( -0.310 -0.042 -2.858) 2.875 ======================= Grid point 148 (55/60) ======================= q-point: (-0.50 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.111 ( -4.263 6.134 0.952) 7.530 1.111 ( 4.263 6.134 0.952) 7.530 1.156 ( -5.027 4.529 -1.955) 7.043 1.156 ( 5.027 4.529 -1.955) 7.043 1.301 ( -0.767 1.617 -0.130) 1.794 1.301 ( 0.767 1.617 -0.130) 1.794 1.422 ( -1.424 -3.143 -0.543) 3.493 1.422 ( 1.424 -3.143 -0.543) 3.493 1.559 ( -1.316 -1.937 0.183) 2.349 1.559 ( 1.316 -1.937 0.183) 2.349 1.606 ( -0.747 -2.451 0.268) 2.576 1.606 ( 0.747 -2.451 0.268) 2.576 1.861 ( -1.459 2.183 0.923) 2.783 1.861 ( 1.459 2.183 0.923) 2.783 1.969 ( -1.061 -1.414 -1.166) 2.118 1.969 ( 1.061 -1.414 -1.166) 2.118 2.104 ( -0.247 0.330 1.319) 1.382 2.104 ( 0.247 0.330 1.319) 1.382 2.154 ( -0.537 -0.136 -0.944) 1.095 2.154 ( 0.537 -0.136 -0.944) 1.095 2.402 ( -2.027 2.826 1.593) 3.825 2.402 ( 2.027 2.826 1.593) 3.825 2.491 ( -1.669 -1.189 -1.130) 2.340 2.491 ( 1.669 -1.189 -1.130) 2.340 2.703 ( -2.289 -0.085 0.855) 2.445 2.703 ( 2.289 -0.085 0.855) 2.445 2.772 ( -1.688 -2.661 -0.481) 3.188 2.772 ( 1.688 -2.661 -0.481) 3.188 2.935 ( -1.198 1.223 3.792) 4.161 2.935 ( 1.198 1.223 3.792) 4.161 2.991 ( -0.465 0.705 -1.464) 1.690 2.991 ( 0.465 0.705 -1.464) 1.690 3.312 ( -1.371 0.549 0.082) 1.479 3.312 ( 1.371 0.549 0.082) 1.479 3.368 ( -1.215 -1.740 -0.861) 2.290 3.368 ( 1.215 -1.740 -0.861) 2.290 3.636 ( -4.450 1.067 1.505) 4.817 3.636 ( 4.450 1.067 1.505) 4.817 3.681 ( -5.217 0.959 -2.568) 5.893 3.681 ( 5.217 0.959 -2.568) 5.893 4.425 ( -0.872 1.366 -0.028) 1.621 4.425 ( 0.872 1.366 -0.028) 1.621 4.501 ( -1.193 -1.825 0.100) 2.183 4.501 ( 1.193 -1.825 0.100) 2.183 4.969 ( -0.435 0.169 0.755) 0.888 4.969 ( 0.435 0.169 0.755) 0.888 4.984 ( -0.687 0.363 -0.683) 1.034 4.984 ( 0.687 0.363 -0.683) 1.034 6.830 ( -0.603 -0.287 2.347) 2.441 6.830 ( 0.603 -0.287 2.347) 2.441 6.882 ( -0.424 -0.602 -2.774) 2.870 6.882 ( 0.424 -0.602 -2.774) 2.870 7.537 ( -1.064 0.978 1.555) 2.123 7.537 ( 1.064 0.978 1.555) 2.123 7.598 ( -0.962 -0.859 -1.314) 1.842 7.598 ( 0.962 -0.859 -1.314) 1.842 8.121 ( -0.485 -0.318 0.031) 0.581 8.121 ( 0.485 -0.318 0.031) 0.581 8.147 ( -0.429 -0.978 -0.280) 1.104 8.147 ( 0.429 -0.978 -0.280) 1.104 8.407 ( -0.355 0.381 1.079) 1.198 8.407 ( 0.355 0.381 1.079) 1.198 8.437 ( -0.206 0.070 -0.326) 0.392 8.437 ( 0.206 0.070 -0.326) 0.392 9.008 ( -0.999 0.279 3.560) 3.708 9.008 ( 0.999 0.279 3.560) 3.708 9.105 ( -1.298 -0.736 -4.466) 4.708 9.105 ( 1.298 -0.736 -4.466) 4.708 9.387 ( -0.631 1.284 -0.199) 1.444 9.387 ( 0.631 1.284 -0.199) 1.444 9.467 ( -0.141 -2.061 0.052) 2.066 9.467 ( 0.141 -2.061 0.052) 2.066 9.645 ( -2.156 1.364 0.268) 2.565 9.645 ( 2.156 1.364 0.268) 2.565 9.734 ( -1.340 -1.485 -0.332) 2.028 9.734 ( 1.340 -1.485 -0.332) 2.028 9.830 ( -1.429 2.369 0.179) 2.772 9.830 ( 1.429 2.369 0.179) 2.772 9.932 ( -0.384 -1.804 0.276) 1.865 9.932 ( 0.384 -1.804 0.276) 1.865 10.432 ( -0.406 0.366 3.280) 3.325 10.432 ( 0.406 0.366 3.280) 3.325 10.505 ( -0.337 0.052 -2.883) 2.903 10.505 ( 0.337 0.052 -2.883) 2.903 ======================= Grid point 153 (56/60) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.000 -6.042 -2.449) 6.519 0.885 ( 0.000 6.042 -2.449) 6.519 1.067 ( 0.000 -4.261 -1.577) 4.543 1.067 ( 0.000 4.261 -1.577) 4.543 1.216 ( 0.000 -3.263 2.697) 4.233 1.216 ( 0.000 3.263 2.697) 4.233 1.379 ( 0.000 -1.655 -4.509) 4.803 1.379 ( 0.000 1.655 -4.509) 4.803 1.668 ( 0.000 -0.728 2.912) 3.001 1.668 ( 0.000 0.728 2.912) 3.001 1.717 ( 0.000 -2.025 -2.005) 2.849 1.717 ( 0.000 2.025 -2.005) 2.849 1.879 ( 0.000 -1.495 1.852) 2.380 1.879 ( 0.000 1.495 1.852) 2.380 1.999 ( 0.000 -3.399 1.821) 3.856 1.999 ( 0.000 3.399 1.821) 3.856 2.049 ( 0.000 -1.975 1.498) 2.479 2.049 ( 0.000 1.975 1.498) 2.479 2.175 ( 0.000 -1.723 -1.487) 2.276 2.175 ( 0.000 1.723 -1.487) 2.276 2.226 ( 0.000 -1.986 -2.703) 3.354 2.226 ( 0.000 1.986 -2.703) 3.354 2.534 ( 0.000 -2.309 3.442) 4.145 2.534 ( 0.000 2.309 3.442) 4.145 2.636 ( 0.000 -1.047 -0.350) 1.104 2.636 ( 0.000 1.047 -0.350) 1.104 2.735 ( 0.000 -1.896 1.313) 2.306 2.735 ( 0.000 1.896 1.313) 2.306 2.793 ( 0.000 -1.759 -0.929) 1.989 2.793 ( 0.000 1.759 -0.929) 1.989 2.923 ( 0.000 -2.451 -1.817) 3.051 2.923 ( 0.000 2.451 -1.817) 3.051 3.228 ( 0.000 -0.636 0.182) 0.662 3.228 ( 0.000 0.636 0.182) 0.662 3.323 ( 0.000 -1.793 2.335) 2.945 3.323 ( 0.000 1.793 2.335) 2.945 3.570 ( 0.000 -1.320 0.818) 1.553 3.570 ( 0.000 1.320 0.818) 1.553 3.887 ( 0.000 -2.138 -3.874) 4.425 3.887 ( 0.000 2.138 -3.874) 4.425 4.488 ( 0.000 -1.736 2.680) 3.193 4.488 ( 0.000 1.736 2.680) 3.193 4.652 ( 0.000 -1.350 -1.457) 1.987 4.652 ( 0.000 1.350 -1.457) 1.987 4.907 ( 0.000 -0.243 -0.057) 0.250 4.907 ( 0.000 0.243 -0.057) 0.250 5.028 ( 0.000 -0.754 0.197) 0.780 5.028 ( 0.000 0.754 0.197) 0.780 6.782 ( 0.000 -0.384 -1.036) 1.105 6.782 ( 0.000 0.384 -1.036) 1.105 6.988 ( 0.000 -0.423 0.149) 0.448 6.988 ( 0.000 0.423 0.149) 0.448 7.521 ( 0.000 -0.651 0.688) 0.947 7.521 ( 0.000 0.651 0.688) 0.947 7.667 ( 0.000 -0.610 -0.155) 0.630 7.667 ( 0.000 0.610 -0.155) 0.630 8.105 ( 0.000 -1.017 0.933) 1.380 8.105 ( 0.000 1.017 0.933) 1.380 8.204 ( 0.000 -1.237 0.602) 1.375 8.204 ( 0.000 1.237 0.602) 1.375 8.231 ( 0.000 -1.895 -1.219) 2.254 8.231 ( 0.000 1.895 -1.219) 2.254 8.448 ( 0.000 -1.136 0.762) 1.367 8.448 ( 0.000 1.136 0.762) 1.367 8.931 ( 0.000 -1.679 2.207) 2.773 8.931 ( 0.000 1.679 2.207) 2.773 9.018 ( 0.000 -2.676 -1.569) 3.103 9.018 ( 0.000 2.676 -1.569) 3.103 9.276 ( 0.000 -1.895 0.225) 1.908 9.276 ( 0.000 1.895 0.225) 1.908 9.314 ( 0.000 -1.804 -3.195) 3.669 9.314 ( 0.000 1.804 -3.195) 3.669 9.685 ( 0.000 -2.082 3.437) 4.018 9.685 ( 0.000 2.082 3.437) 4.018 9.789 ( 0.000 -1.853 -1.817) 2.595 9.789 ( 0.000 1.853 -1.817) 2.595 10.093 ( 0.000 -0.921 1.068) 1.411 10.093 ( 0.000 0.921 1.068) 1.411 10.237 ( 0.000 -1.363 -0.209) 1.379 10.237 ( 0.000 1.363 -0.209) 1.379 10.432 ( 0.000 -0.239 -0.294) 0.379 10.432 ( 0.000 0.239 -0.294) 0.379 10.540 ( 0.000 -0.517 0.185) 0.549 10.540 ( 0.000 0.517 0.185) 0.549 ======================= Grid point 155 (57/60) ======================= q-point: ( 0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.923 ( 3.366 -4.654 0.299) 5.751 0.923 ( 3.366 4.654 0.299) 5.751 1.092 ( 2.717 -2.742 -1.912) 4.308 1.092 ( 2.717 2.742 -1.912) 4.308 1.214 ( 0.126 -2.672 0.456) 2.713 1.214 ( 0.126 2.672 0.456) 2.713 1.383 ( 0.964 -1.384 -3.295) 3.701 1.383 ( 0.964 1.384 -3.295) 3.701 1.654 ( -2.015 -1.645 2.442) 3.568 1.654 ( -2.015 1.645 2.442) 3.568 1.697 ( -2.414 -1.465 -2.044) 3.485 1.697 ( -2.414 1.465 -2.044) 3.485 1.876 ( 1.056 -0.876 1.147) 1.788 1.876 ( 1.056 0.876 1.147) 1.788 2.002 ( -0.439 -1.343 0.961) 1.708 2.002 ( -0.439 1.343 0.961) 1.708 2.102 ( 3.135 -1.397 2.286) 4.124 2.102 ( 3.135 1.397 2.286) 4.124 2.171 ( 0.370 -1.915 -1.951) 2.759 2.171 ( 0.370 1.915 -1.951) 2.759 2.244 ( 2.210 -0.817 -1.499) 2.792 2.244 ( 2.210 0.817 -1.499) 2.792 2.546 ( 0.903 -2.017 3.272) 3.948 2.546 ( 0.903 2.017 3.272) 3.948 2.617 ( -1.630 -1.332 -1.147) 2.397 2.617 ( -1.630 1.332 -1.147) 2.397 2.743 ( 0.851 -1.626 2.526) 3.122 2.743 ( 0.851 1.626 2.526) 3.122 2.805 ( 1.172 -0.631 -1.232) 1.814 2.805 ( 1.172 0.631 -1.232) 1.814 2.933 ( 1.009 -1.774 -1.651) 2.625 2.933 ( 1.009 1.774 -1.651) 2.625 3.225 ( -0.163 -0.439 0.097) 0.478 3.225 ( -0.163 0.439 0.097) 0.478 3.354 ( 2.830 -1.661 1.900) 3.792 3.354 ( 2.830 1.661 1.900) 3.792 3.552 ( -1.707 -1.200 0.776) 2.226 3.552 ( -1.707 1.200 0.776) 2.226 3.874 ( -1.234 -2.060 -3.382) 4.148 3.874 ( -1.234 2.060 -3.382) 4.148 4.470 ( -1.699 -1.642 2.164) 3.204 4.470 ( -1.699 1.642 2.164) 3.204 4.638 ( -1.363 -1.377 -1.269) 2.316 4.638 ( -1.363 1.377 -1.269) 2.316 4.919 ( 1.049 -0.270 0.109) 1.089 4.919 ( 1.049 0.270 0.109) 1.089 5.022 ( -0.604 -0.763 0.088) 0.978 5.022 ( -0.604 0.763 0.088) 0.978 6.793 ( 0.994 -0.409 -0.752) 1.311 6.793 ( 0.994 0.409 -0.752) 1.311 6.971 ( -1.575 -0.391 -0.065) 1.624 6.971 ( -1.575 0.391 -0.065) 1.624 7.513 ( -0.574 -0.698 0.556) 1.061 7.513 ( -0.574 0.698 0.556) 1.061 7.661 ( -0.604 -0.612 -0.063) 0.862 7.661 ( -0.604 0.612 -0.063) 0.862 8.108 ( 0.259 -1.110 0.963) 1.493 8.108 ( 0.259 1.110 0.963) 1.493 8.182 ( -2.039 -1.022 -0.740) 2.397 8.182 ( -2.039 1.022 -0.740) 2.397 8.256 ( 2.773 -0.479 0.249) 2.825 8.256 ( 2.773 0.479 0.249) 2.825 8.467 ( 1.206 -0.890 0.528) 1.589 8.467 ( 1.206 0.890 0.528) 1.589 8.931 ( 0.139 -1.138 1.756) 2.097 8.931 ( 0.139 1.138 1.756) 2.097 9.041 ( 2.209 -1.931 -1.553) 3.320 9.041 ( 2.209 1.931 -1.553) 3.320 9.280 ( 0.577 -2.313 0.693) 2.483 9.280 ( 0.577 2.313 0.693) 2.483 9.321 ( 0.579 -2.014 -3.110) 3.751 9.321 ( 0.579 2.014 -3.110) 3.751 9.683 ( -0.226 -2.044 3.159) 3.770 9.683 ( -0.226 2.044 3.159) 3.770 9.795 ( 0.490 -1.846 -1.813) 2.633 9.795 ( 0.490 1.846 -1.813) 2.633 10.047 ( -4.201 -0.742 0.965) 4.374 10.047 ( -4.201 0.742 0.965) 4.374 10.198 ( -3.731 -1.229 -0.185) 3.932 10.198 ( -3.731 1.229 -0.185) 3.932 10.441 ( 0.673 -0.246 0.441) 0.841 10.441 ( 0.673 0.246 0.441) 0.841 10.529 ( -0.880 -0.522 -0.393) 1.096 10.529 ( -0.880 0.522 -0.393) 1.096 ======================= Grid point 157 (58/60) ======================= q-point: ( 0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( 4.208 -1.823 3.833) 5.977 1.000 ( 4.208 1.823 3.833) 5.977 1.165 ( 3.789 -1.317 -4.010) 5.672 1.165 ( 3.789 1.317 -4.010) 5.672 1.244 ( 3.572 -2.987 0.082) 4.657 1.244 ( 3.572 2.987 0.082) 4.657 1.422 ( 2.252 -1.950 -2.500) 3.889 1.422 ( 2.252 1.950 -2.500) 3.889 1.569 ( -5.776 -1.323 1.051) 6.018 1.569 ( -5.776 1.323 1.051) 6.018 1.644 ( -2.442 -1.326 -0.862) 2.909 1.644 ( -2.442 1.326 -0.862) 2.909 1.911 ( 0.532 -0.629 2.530) 2.660 1.911 ( 0.532 0.629 2.530) 2.660 1.961 ( -2.125 -1.151 -1.399) 2.792 1.961 ( -2.125 1.151 -1.399) 2.792 2.142 ( 1.019 -2.129 2.619) 3.526 2.142 ( 1.019 2.129 2.619) 3.526 2.193 ( 0.790 -2.008 -2.292) 3.148 2.193 ( 0.790 2.008 -2.292) 3.148 2.301 ( 2.545 -1.386 -1.622) 3.321 2.301 ( 2.545 1.386 -1.622) 3.321 2.560 ( 0.638 -1.810 2.281) 2.981 2.560 ( 0.638 1.810 2.281) 2.981 2.599 ( 0.250 -0.818 -1.074) 1.373 2.599 ( 0.250 0.818 -1.074) 1.373 2.765 ( 0.982 -1.770 2.669) 3.350 2.765 ( 0.982 1.770 2.669) 3.350 2.839 ( 2.494 -1.701 0.209) 3.026 2.839 ( 2.494 1.701 0.209) 3.026 2.963 ( 1.859 -0.832 -0.946) 2.245 2.963 ( 1.859 0.832 -0.946) 2.245 3.229 ( 0.811 -0.275 -0.540) 1.012 3.229 ( 0.811 0.275 -0.540) 1.012 3.424 ( 3.716 -1.185 1.178) 4.074 3.424 ( 3.716 1.185 1.178) 4.074 3.507 ( -2.433 -0.932 0.579) 2.669 3.507 ( -2.433 0.932 0.579) 2.669 3.840 ( -2.165 -1.780 -2.229) 3.581 3.840 ( -2.165 1.780 -2.229) 3.581 4.432 ( -1.691 -1.114 1.128) 2.318 4.432 ( -1.691 1.114 1.128) 2.318 4.597 ( -2.738 -1.213 -0.831) 3.108 4.597 ( -2.738 1.213 -0.831) 3.108 4.943 ( 1.184 -0.319 0.379) 1.284 4.943 ( 1.184 0.319 0.379) 1.284 5.007 ( -0.751 -0.705 -0.184) 1.046 5.007 ( -0.751 0.705 -0.184) 1.046 6.813 ( 0.870 -0.505 0.060) 1.007 6.813 ( 0.870 0.505 0.060) 1.007 6.931 ( -2.218 -0.343 -0.676) 2.344 6.931 ( -2.218 0.343 -0.676) 2.344 7.508 ( 0.294 -0.761 0.381) 0.900 7.508 ( 0.294 0.761 0.381) 0.900 7.642 ( -1.271 -0.630 -0.011) 1.419 7.642 ( -1.271 0.630 -0.011) 1.419 8.114 ( 0.270 -1.159 0.992) 1.550 8.114 ( 0.270 1.159 0.992) 1.550 8.147 ( -1.178 -1.240 -1.206) 2.093 8.147 ( -1.178 1.240 -1.206) 2.093 8.322 ( 3.436 -0.328 0.764) 3.535 8.322 ( 3.436 0.328 0.764) 3.535 8.476 ( -0.390 -0.471 0.322) 0.691 8.476 ( -0.390 0.471 0.322) 0.691 8.944 ( 1.325 -0.541 1.071) 1.788 8.944 ( 1.325 0.541 1.071) 1.788 9.091 ( 2.133 -0.887 -1.439) 2.722 9.091 ( 2.133 0.887 -1.439) 2.722 9.309 ( 2.394 -3.094 0.469) 3.940 9.309 ( 2.394 3.094 0.469) 3.940 9.339 ( 1.713 -2.505 -1.960) 3.613 9.339 ( 1.713 2.505 -1.960) 3.613 9.677 ( -0.457 -1.687 2.099) 2.731 9.677 ( -0.457 1.687 2.099) 2.731 9.799 ( -0.424 -1.620 -1.404) 2.185 9.799 ( -0.424 1.620 -1.404) 2.185 9.949 ( -4.963 -0.713 0.656) 5.057 9.949 ( -4.963 0.713 0.656) 5.057 10.096 ( -6.306 -0.955 0.003) 6.378 10.096 ( -6.306 0.955 0.003) 6.378 10.448 ( -0.119 -0.500 2.304) 2.360 10.448 ( -0.119 0.500 2.304) 2.360 10.513 ( -0.577 -0.560 -2.050) 2.202 10.513 ( -0.577 0.560 -2.050) 2.202 ======================= Grid point 159 (59/60) ======================= q-point: ( 0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 4.998 -1.337 2.436) 5.718 1.091 ( 4.998 1.337 2.436) 5.718 1.238 ( 3.532 -1.194 -2.448) 4.460 1.238 ( 3.532 1.194 -2.448) 4.460 1.321 ( 1.269 -4.061 1.747) 4.600 1.321 ( 1.269 4.061 1.747) 4.600 1.391 ( -3.975 -3.591 -3.328) 6.307 1.391 ( -3.975 3.591 -3.328) 6.307 1.523 ( 1.399 -1.302 1.092) 2.201 1.523 ( 1.399 1.302 1.092) 2.201 1.598 ( -2.313 -0.778 -0.467) 2.485 1.598 ( -2.313 0.778 -0.467) 2.485 1.876 ( -0.896 -0.667 0.632) 1.284 1.876 ( -0.896 0.667 0.632) 1.284 1.965 ( 0.109 -0.512 -1.061) 1.183 1.965 ( 0.109 0.512 -1.061) 1.183 2.133 ( -1.974 -1.041 2.448) 3.312 2.133 ( -1.974 1.041 2.448) 3.312 2.175 ( -1.694 -0.405 -1.782) 2.492 2.175 ( -1.694 0.405 -1.782) 2.492 2.364 ( 4.206 -1.386 -1.147) 4.574 2.364 ( 4.206 1.386 -1.147) 4.574 2.537 ( -2.969 -1.351 0.869) 3.376 2.537 ( -2.969 1.351 0.869) 3.376 2.646 ( 3.766 -0.869 -0.362) 3.882 2.646 ( 3.766 0.869 -0.362) 3.882 2.766 ( -1.084 -0.057 0.857) 1.383 2.766 ( -1.084 0.057 0.857) 1.383 2.905 ( 3.559 -0.784 2.762) 4.573 2.905 ( 3.559 0.784 2.762) 4.573 2.994 ( 0.900 -0.465 -0.448) 1.108 2.994 ( 0.900 0.465 -0.448) 1.108 3.264 ( 2.685 -0.459 -0.904) 2.870 3.264 ( 2.685 0.459 -0.904) 2.870 3.416 ( -3.792 -0.426 0.278) 3.826 3.416 ( -3.792 0.426 0.278) 3.826 3.544 ( 5.555 -0.983 0.427) 5.657 3.544 ( 5.555 0.983 0.427) 5.657 3.780 ( -4.166 -1.364 -1.307) 4.574 3.780 ( -4.166 1.364 -1.307) 4.574 4.419 ( 0.701 -0.604 0.359) 0.992 4.419 ( 0.701 0.604 0.359) 0.992 4.532 ( -3.664 -0.871 -0.366) 3.784 4.532 ( -3.664 0.871 -0.366) 3.784 4.962 ( 0.756 -0.271 0.583) 0.993 4.962 ( 0.756 0.271 0.583) 0.993 4.994 ( -0.543 -0.496 -0.513) 0.896 4.994 ( -0.543 0.496 -0.513) 0.896 6.824 ( 0.276 -0.466 1.295) 1.404 6.824 ( 0.276 0.466 1.295) 1.404 6.892 ( -1.556 -0.301 -1.727) 2.345 6.892 ( -1.556 0.301 -1.727) 2.345 7.527 ( 1.468 -0.743 0.571) 1.742 7.527 ( 1.468 0.743 0.571) 1.742 7.612 ( -1.731 -0.654 -0.316) 1.877 7.612 ( -1.731 0.654 -0.316) 1.877 8.119 ( 0.216 -0.773 0.620) 1.014 8.119 ( 0.216 0.773 0.620) 1.014 8.135 ( -0.275 -0.740 -0.971) 1.252 8.135 ( -0.275 0.740 -0.971) 1.252 8.381 ( 2.389 -0.198 0.893) 2.558 8.381 ( 2.389 0.198 0.893) 2.558 8.457 ( -1.291 -0.174 0.135) 1.309 8.457 ( -1.291 0.174 0.135) 1.309 8.982 ( 2.253 -0.597 1.817) 2.955 8.982 ( 2.253 0.597 1.817) 2.955 9.107 ( -0.406 -0.793 -2.508) 2.662 9.107 ( -0.406 0.793 -2.508) 2.662 9.360 ( 2.885 -0.769 -0.366) 3.008 9.360 ( 2.885 0.769 -0.366) 3.008 9.406 ( 3.923 -0.333 -0.285) 3.947 9.406 ( 3.923 0.333 -0.285) 3.947 9.657 ( -1.158 -1.035 0.598) 1.664 9.657 ( -1.158 1.035 0.598) 1.664 9.768 ( -2.651 -1.038 -0.272) 2.860 9.768 ( -2.651 1.038 -0.272) 2.860 9.880 ( -1.622 -1.107 -0.238) 1.978 9.880 ( -1.622 1.107 -0.238) 1.978 9.966 ( -5.950 -0.384 0.550) 5.988 9.966 ( -5.950 0.384 0.550) 5.988 10.441 ( -0.411 -0.386 3.384) 3.431 10.441 ( -0.411 0.386 3.384) 3.431 10.507 ( -0.159 -0.354 -3.017) 3.042 10.507 ( -0.159 0.354 -3.017) 3.042 ======================= Grid point 161 (60/60) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 0.000 0.695) 0.695 1.194 ( 0.000 0.000 0.695) 0.695 1.211 ( -0.000 0.000 -0.369) 0.369 1.211 ( 0.000 0.000 -0.369) 0.369 1.325 ( -0.000 0.000 1.209) 1.209 1.325 ( 0.000 0.000 1.209) 1.209 1.369 ( 0.000 0.000 -2.687) 2.687 1.369 ( 0.000 0.000 -2.687) 2.687 1.549 ( -0.000 0.000 1.006) 1.006 1.549 ( 0.000 0.000 1.006) 1.006 1.562 ( 0.000 -0.000 -0.351) 0.351 1.562 ( 0.000 0.000 -0.351) 0.351 1.896 ( 0.000 -0.000 1.537) 1.537 1.896 ( 0.000 0.000 1.537) 1.537 1.938 ( 0.000 0.000 -2.728) 2.728 1.938 ( 0.000 0.000 -2.728) 2.728 2.110 ( 0.000 0.000 2.169) 2.169 2.110 ( 0.000 0.000 2.169) 2.169 2.153 ( 0.000 0.000 -2.183) 2.183 2.153 ( 0.000 0.000 -2.183) 2.183 2.440 ( 0.000 0.000 1.795) 1.795 2.440 ( 0.000 0.000 1.795) 1.795 2.475 ( -0.000 0.000 -1.240) 1.240 2.475 ( 0.000 0.000 -1.240) 1.240 2.710 ( -0.000 0.000 1.028) 1.028 2.710 ( 0.000 0.000 1.028) 1.028 2.731 ( -0.000 -0.000 -0.470) 0.470 2.731 ( 0.000 0.000 -0.470) 0.470 2.949 ( 0.000 0.000 3.816) 3.816 2.949 ( 0.000 0.000 3.816) 3.816 2.999 ( 0.000 0.000 -1.250) 1.250 2.999 ( 0.000 0.000 -1.250) 1.250 3.328 ( -0.000 -0.000 0.027) 0.027 3.328 ( -0.000 0.000 0.027) 0.027 3.338 ( 0.000 0.000 -0.852) 0.852 3.338 ( 0.000 0.000 -0.852) 0.852 3.649 ( -0.000 0.000 1.680) 1.680 3.649 ( 0.000 0.000 1.680) 1.680 3.691 ( -0.000 0.000 -2.511) 2.511 3.691 ( 0.000 0.000 -2.511) 2.511 4.457 ( 0.000 -0.000 0.323) 0.323 4.457 ( 0.000 0.000 0.323) 0.323 4.464 ( -0.000 -0.000 -0.328) 0.328 4.464 ( -0.000 0.000 -0.328) 0.328 4.971 ( -0.000 0.000 0.828) 0.828 4.971 ( 0.000 0.000 0.828) 0.828 4.988 ( 0.000 0.000 -0.835) 0.835 4.988 ( 0.000 0.000 -0.835) 0.835 6.827 ( 0.000 0.000 2.197) 2.197 6.827 ( 0.000 0.000 2.197) 2.197 6.875 ( 0.000 0.000 -2.567) 2.567 6.875 ( 0.000 0.000 -2.567) 2.567 7.552 ( 0.000 0.000 1.689) 1.689 7.552 ( 0.000 0.000 1.689) 1.689 7.584 ( -0.000 0.000 -1.471) 1.471 7.584 ( -0.000 0.000 -1.471) 1.471 8.121 ( 0.000 0.000 0.344) 0.344 8.121 ( 0.000 0.000 0.344) 0.344 8.132 ( 0.000 0.000 -0.717) 0.717 8.132 ( 0.000 0.000 -0.717) 0.717 8.413 ( 0.000 0.000 1.581) 1.581 8.413 ( 0.000 0.000 1.581) 1.581 8.435 ( 0.000 0.000 -0.655) 0.655 8.435 ( 0.000 0.000 -0.655) 0.655 9.012 ( 0.000 0.000 3.726) 3.726 9.012 ( 0.000 0.000 3.726) 3.726 9.096 ( 0.000 0.000 -4.532) 4.532 9.096 ( 0.000 0.000 -4.532) 4.532 9.417 ( -0.000 -0.000 0.430) 0.430 9.417 ( -0.000 0.000 0.430) 0.430 9.428 ( 0.000 -0.000 -0.623) 0.623 9.428 ( 0.000 0.000 -0.623) 0.623 9.671 ( 0.000 0.000 1.294) 1.294 9.671 ( 0.000 0.000 1.294) 1.294 9.707 ( -0.000 0.000 -2.106) 2.106 9.707 ( 0.000 0.000 -2.106) 2.106 9.875 ( 0.000 -0.000 1.461) 1.461 9.875 ( 0.000 0.000 1.461) 1.461 9.894 ( -0.000 -0.000 -0.373) 0.373 9.894 ( 0.000 0.000 -0.373) 0.373 10.436 ( 0.000 0.000 3.588) 3.588 10.436 ( 0.000 0.000 3.588) 3.588 10.505 ( 0.000 0.000 -3.185) 3.185 10.505 ( 0.000 0.000 -3.185) 3.185 =================== 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 3/20160 10.0 32.392 24.849 35.295 0.000 0.000 0.000 3/20160 20.0 6.183 4.787 6.680 0.000 0.000 0.000 3/20160 30.0 2.998 2.295 3.171 0.000 0.000 0.000 3/20160 40.0 1.968 1.488 2.038 0.000 0.000 0.000 3/20160 50.0 1.477 1.104 1.503 0.000 0.000 0.000 3/20160 60.0 1.189 0.881 1.193 0.000 0.000 0.000 3/20160 70.0 0.998 0.735 0.991 0.000 0.000 0.000 3/20160 80.0 0.862 0.631 0.849 0.000 0.000 0.000 3/20160 90.0 0.760 0.554 0.744 0.000 0.000 0.000 3/20160 100.0 0.681 0.494 0.662 0.000 0.000 0.000 3/20160 110.0 0.617 0.446 0.597 0.000 0.000 0.000 3/20160 120.0 0.565 0.407 0.544 0.000 0.000 0.000 3/20160 130.0 0.521 0.374 0.500 0.000 0.000 0.000 3/20160 140.0 0.484 0.346 0.463 0.000 0.000 0.000 3/20160 150.0 0.452 0.322 0.431 0.000 0.000 0.000 3/20160 160.0 0.424 0.301 0.403 0.000 0.000 0.000 3/20160 170.0 0.399 0.283 0.379 0.000 0.000 0.000 3/20160 180.0 0.377 0.267 0.357 0.000 0.000 0.000 3/20160 190.0 0.358 0.253 0.338 0.000 0.000 0.000 3/20160 200.0 0.340 0.240 0.321 0.000 0.000 0.000 3/20160 210.0 0.324 0.228 0.306 0.000 0.000 0.000 3/20160 220.0 0.310 0.218 0.292 0.000 0.000 0.000 3/20160 230.0 0.297 0.208 0.279 0.000 0.000 0.000 3/20160 240.0 0.285 0.199 0.267 0.000 0.000 0.000 3/20160 250.0 0.273 0.191 0.256 0.000 0.000 0.000 3/20160 260.0 0.263 0.184 0.246 0.000 0.000 0.000 3/20160 270.0 0.254 0.177 0.237 0.000 0.000 0.000 3/20160 280.0 0.245 0.171 0.229 0.000 0.000 0.000 3/20160 290.0 0.236 0.165 0.221 0.000 0.000 0.000 3/20160 300.0 0.229 0.159 0.213 0.000 0.000 0.000 3/20160 310.0 0.221 0.154 0.207 0.000 0.000 0.000 3/20160 320.0 0.215 0.149 0.200 0.000 0.000 0.000 3/20160 330.0 0.208 0.145 0.194 0.000 0.000 0.000 3/20160 340.0 0.202 0.140 0.188 0.000 0.000 0.000 3/20160 350.0 0.196 0.136 0.183 0.000 0.000 0.000 3/20160 360.0 0.191 0.132 0.178 0.000 0.000 0.000 3/20160 370.0 0.186 0.129 0.173 0.000 0.000 0.000 3/20160 380.0 0.181 0.125 0.168 0.000 0.000 0.000 3/20160 390.0 0.177 0.122 0.164 0.000 0.000 0.000 3/20160 400.0 0.172 0.119 0.160 0.000 0.000 0.000 3/20160 410.0 0.168 0.116 0.156 0.000 0.000 0.000 3/20160 420.0 0.164 0.114 0.152 0.000 0.000 0.000 3/20160 430.0 0.160 0.111 0.149 0.000 0.000 0.000 3/20160 440.0 0.157 0.108 0.145 0.000 0.000 0.000 3/20160 450.0 0.153 0.106 0.142 0.000 0.000 0.000 3/20160 460.0 0.150 0.104 0.139 0.000 0.000 0.000 3/20160 470.0 0.147 0.101 0.136 0.000 0.000 0.000 3/20160 480.0 0.144 0.099 0.133 0.000 0.000 0.000 3/20160 490.0 0.141 0.097 0.131 0.000 0.000 0.000 3/20160 500.0 0.138 0.095 0.128 0.000 0.000 0.000 3/20160 510.0 0.135 0.093 0.126 0.000 0.000 0.000 3/20160 520.0 0.133 0.092 0.123 0.000 0.000 0.000 3/20160 530.0 0.130 0.090 0.121 0.000 0.000 0.000 3/20160 540.0 0.128 0.088 0.119 0.000 0.000 0.000 3/20160 550.0 0.126 0.087 0.116 0.000 0.000 0.000 3/20160 560.0 0.123 0.085 0.114 0.000 0.000 0.000 3/20160 570.0 0.121 0.084 0.112 0.000 0.000 0.000 3/20160 580.0 0.119 0.082 0.110 0.000 0.000 0.000 3/20160 590.0 0.117 0.081 0.109 0.000 0.000 0.000 3/20160 600.0 0.115 0.079 0.107 0.000 0.000 0.000 3/20160 610.0 0.113 0.078 0.105 0.000 0.000 0.000 3/20160 620.0 0.112 0.077 0.103 0.000 0.000 0.000 3/20160 630.0 0.110 0.076 0.102 0.000 0.000 0.000 3/20160 640.0 0.108 0.074 0.100 0.000 0.000 0.000 3/20160 650.0 0.106 0.073 0.099 0.000 0.000 0.000 3/20160 660.0 0.105 0.072 0.097 0.000 0.000 0.000 3/20160 670.0 0.103 0.071 0.096 0.000 0.000 0.000 3/20160 680.0 0.102 0.070 0.094 0.000 0.000 0.000 3/20160 690.0 0.100 0.069 0.093 0.000 0.000 0.000 3/20160 700.0 0.099 0.068 0.091 0.000 0.000 0.000 3/20160 710.0 0.097 0.067 0.090 0.000 0.000 0.000 3/20160 720.0 0.096 0.066 0.089 0.000 0.000 0.000 3/20160 730.0 0.095 0.065 0.088 0.000 0.000 0.000 3/20160 740.0 0.094 0.064 0.087 0.000 0.000 0.000 3/20160 750.0 0.092 0.064 0.085 0.000 0.000 0.000 3/20160 760.0 0.091 0.063 0.084 0.000 0.000 0.000 3/20160 770.0 0.090 0.062 0.083 0.000 0.000 0.000 3/20160 780.0 0.089 0.061 0.082 0.000 0.000 0.000 3/20160 790.0 0.088 0.060 0.081 0.000 0.000 0.000 3/20160 800.0 0.087 0.060 0.080 0.000 0.000 0.000 3/20160 810.0 0.085 0.059 0.079 0.000 0.000 0.000 3/20160 820.0 0.084 0.058 0.078 0.000 0.000 0.000 3/20160 830.0 0.083 0.057 0.077 0.000 0.000 0.000 3/20160 840.0 0.082 0.057 0.076 0.000 0.000 0.000 3/20160 850.0 0.081 0.056 0.075 0.000 0.000 0.000 3/20160 860.0 0.081 0.055 0.074 0.000 0.000 0.000 3/20160 870.0 0.080 0.055 0.074 0.000 0.000 0.000 3/20160 880.0 0.079 0.054 0.073 0.000 0.000 0.000 3/20160 890.0 0.078 0.054 0.072 0.000 0.000 0.000 3/20160 900.0 0.077 0.053 0.071 0.000 0.000 0.000 3/20160 910.0 0.076 0.052 0.070 0.000 0.000 0.000 3/20160 920.0 0.075 0.052 0.070 0.000 0.000 0.000 3/20160 930.0 0.075 0.051 0.069 0.000 0.000 0.000 3/20160 940.0 0.074 0.051 0.068 0.000 0.000 0.000 3/20160 950.0 0.073 0.050 0.067 0.000 0.000 0.000 3/20160 960.0 0.072 0.050 0.067 0.000 0.000 0.000 3/20160 970.0 0.071 0.049 0.066 0.000 0.000 0.000 3/20160 980.0 0.071 0.049 0.065 0.000 0.000 0.000 3/20160 990.0 0.070 0.048 0.065 0.000 0.000 0.000 3/20160 1000.0 0.069 0.048 0.064 0.000 0.000 0.000 3/20160 Thermal conductivity related properties were written into "kappa-m865.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:42:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|