----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 19:42:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.247642320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.587168379999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.119504100000000 Atomic positions (fractional): *1 Ba 0.24955313174643 0.31130009262734 0.74599089402714 137.327 *2 Ba 0.49571127393562 0.80822777983747 0.03004388481122 137.327 3 Ba 0.75044686825357 0.68869990737265 0.25400910597286 137.327 4 Ba 0.49571127393562 0.69177222016253 0.53004388481122 137.327 5 Ba 0.99571127393562 0.80822777983747 0.46995611518878 137.327 6 Ba 0.00428872606438 0.30822777983747 0.03004388481122 137.327 7 Ba 0.25044686825357 0.68869990737265 0.24599089402714 137.327 8 Ba 0.24955313174643 0.18869990737265 0.24599089402714 137.327 9 Ba 0.74955313174643 0.18869990737265 0.25400910597286 137.327 10 Ba 0.74955313174643 0.31130009262734 0.75400910597286 137.327 11 Ba 0.50428872606438 0.19177222016253 0.96995611518878 137.327 12 Ba 0.00428872606438 0.19177222016253 0.53004388481122 137.327 13 Ba 0.99571127393562 0.69177222016253 0.96995611518878 137.327 14 Ba 0.75044686825357 0.81130009262735 0.75400910597286 137.327 15 Ba 0.25044686825357 0.81130009262735 0.74599089402714 137.327 16 Ba 0.50428872606438 0.30822777983747 0.46995611518878 137.327 *17 In 0.56076222522371 0.55292587021762 0.80646649512612 114.818 18 In 0.43923777477629 0.44707412978238 0.19353350487388 114.818 *19 In 0.22802243182120 0.02931000376980 0.96483139297792 114.818 20 In 0.22802243182120 0.47068999623019 0.46483139297792 114.818 21 In 0.06076222522371 0.55292587021762 0.69353350487388 114.818 22 In 0.27197756817880 0.97068999623020 0.46483139297792 114.818 23 In 0.93923777477629 0.05292587021762 0.80646649512612 114.818 24 In 0.72802243182120 0.02931000376980 0.53516860702208 114.818 25 In 0.56076222522371 0.94707412978238 0.30646649512612 114.818 26 In 0.77197756817880 0.97068999623020 0.03516860702208 114.818 27 In 0.06076222522371 0.94707412978238 0.19353350487388 114.818 28 In 0.43923777477629 0.05292587021762 0.69353350487388 114.818 29 In 0.77197756817880 0.52931000376980 0.53516860702208 114.818 30 In 0.93923777477629 0.44707412978238 0.30646649512612 114.818 31 In 0.72802243182120 0.47068999623019 0.03516860702208 114.818 32 In 0.27197756817880 0.52931000376980 0.96483139297792 114.818 *33 Se 0.49713372187108 0.26974491296365 0.21718149336241 78.960 *34 Se 0.06816472837736 0.57404688164046 0.39294867773797 78.960 *35 Se 0.41111179763729 0.52512127193012 0.37625914359732 78.960 36 Se 0.93183527162264 0.07404688164046 0.10705132226203 78.960 37 Se 0.50286627812892 0.76974491296365 0.28281850663759 78.960 *38 Se 0.24158599358166 0.21526294764770 0.98859488045005 78.960 *39 Se 0.73206096269251 0.04328447391952 0.85414577836361 78.960 40 Se 0.06816472837736 0.92595311835954 0.89294867773797 78.960 41 Se 0.49713372187108 0.23025508703635 0.71718149336241 78.960 42 Se 0.99713372187108 0.23025508703635 0.78281850663759 78.960 43 Se 0.08888820236271 0.02512127193012 0.37625914359732 78.960 44 Se 0.41111179763729 0.97487872806988 0.87625914359732 78.960 45 Se 0.93183527162264 0.42595311835954 0.60705132226203 78.960 46 Se 0.08888820236271 0.47487872806988 0.87625914359732 78.960 47 Se 0.56816472837736 0.57404688164046 0.10705132226203 78.960 48 Se 0.73206096269251 0.45671552608048 0.35414577836361 78.960 49 Se 0.23206096269251 0.45671552608048 0.14585422163639 78.960 50 Se 0.43183527162264 0.42595311835954 0.89294867773797 78.960 51 Se 0.23206096269251 0.04328447391952 0.64585422163639 78.960 52 Se 0.75841400641834 0.71526294764770 0.51140511954995 78.960 53 Se 0.74158599358166 0.21526294764770 0.51140511954995 78.960 54 Se 0.76793903730749 0.54328447391952 0.85414577836361 78.960 55 Se 0.25841400641834 0.78473705235230 0.48859488045005 78.960 56 Se 0.26793903730749 0.54328447391952 0.64585422163639 78.960 57 Se 0.00286627812892 0.73025508703635 0.71718149336241 78.960 58 Se 0.26793903730749 0.95671552608048 0.14585422163639 78.960 59 Se 0.91111179763729 0.52512127193012 0.12374085640268 78.960 60 Se 0.50286627812892 0.73025508703635 0.78281850663759 78.960 61 Se 0.43183527162264 0.07404688164046 0.39294867773797 78.960 62 Se 0.58888820236271 0.02512127193012 0.12374085640268 78.960 63 Se 0.75841400641834 0.78473705235230 0.01140511954995 78.960 64 Se 0.76793903730749 0.95671552608048 0.35414577836361 78.960 65 Se 0.24158599358166 0.28473705235230 0.48859488045005 78.960 66 Se 0.58888820236271 0.47487872806988 0.62374085640268 78.960 67 Se 0.99713372187108 0.26974491296365 0.28281850663759 78.960 68 Se 0.00286627812892 0.76974491296365 0.21718149336241 78.960 69 Se 0.74158599358166 0.28473705235230 0.01140511954995 78.960 70 Se 0.56816472837736 0.92595311835954 0.60705132226203 78.960 71 Se 0.91111179763729 0.97487872806988 0.62374085640268 78.960 72 Se 0.25841400641834 0.71526294764770 0.98859488045005 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.247642320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.587168379999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.119504100000000 Atomic positions (fractional): *1 Ba 0.24955313174643 0.31130009262734 0.74599089402714 137.327 > 1 *2 Ba 0.49571127393562 0.80822777983747 0.03004388481122 137.327 > 2 3 Ba 0.75044686825357 0.68869990737265 0.25400910597286 137.327 > 3 4 Ba 0.49571127393562 0.69177222016253 0.53004388481122 137.327 > 4 5 Ba 0.99571127393562 0.80822777983747 0.46995611518878 137.327 > 5 6 Ba 0.00428872606438 0.30822777983747 0.03004388481122 137.327 > 6 7 Ba 0.25044686825357 0.68869990737265 0.24599089402714 137.327 > 7 8 Ba 0.24955313174643 0.18869990737265 0.24599089402714 137.327 > 8 9 Ba 0.74955313174643 0.18869990737265 0.25400910597286 137.327 > 9 10 Ba 0.74955313174643 0.31130009262734 0.75400910597286 137.327 > 10 11 Ba 0.50428872606438 0.19177222016253 0.96995611518878 137.327 > 11 12 Ba 0.00428872606438 0.19177222016253 0.53004388481122 137.327 > 12 13 Ba 0.99571127393562 0.69177222016253 0.96995611518878 137.327 > 13 14 Ba 0.75044686825357 0.81130009262735 0.75400910597286 137.327 > 14 15 Ba 0.25044686825357 0.81130009262735 0.74599089402714 137.327 > 15 16 Ba 0.50428872606438 0.30822777983747 0.46995611518878 137.327 > 16 *17 In 0.56076222522371 0.55292587021762 0.80646649512612 114.818 > 17 18 In 0.43923777477629 0.44707412978238 0.19353350487388 114.818 > 18 *19 In 0.22802243182120 0.02931000376980 0.96483139297792 114.818 > 19 20 In 0.22802243182120 0.47068999623019 0.46483139297792 114.818 > 20 21 In 0.06076222522371 0.55292587021762 0.69353350487388 114.818 > 21 22 In 0.27197756817880 0.97068999623020 0.46483139297792 114.818 > 22 23 In 0.93923777477629 0.05292587021762 0.80646649512612 114.818 > 23 24 In 0.72802243182120 0.02931000376980 0.53516860702208 114.818 > 24 25 In 0.56076222522371 0.94707412978238 0.30646649512612 114.818 > 25 26 In 0.77197756817880 0.97068999623020 0.03516860702208 114.818 > 26 27 In 0.06076222522371 0.94707412978238 0.19353350487388 114.818 > 27 28 In 0.43923777477629 0.05292587021762 0.69353350487388 114.818 > 28 29 In 0.77197756817880 0.52931000376980 0.53516860702208 114.818 > 29 30 In 0.93923777477629 0.44707412978238 0.30646649512612 114.818 > 30 31 In 0.72802243182120 0.47068999623019 0.03516860702208 114.818 > 31 32 In 0.27197756817880 0.52931000376980 0.96483139297792 114.818 > 32 *33 Se 0.49713372187108 0.26974491296365 0.21718149336241 78.960 > 33 *34 Se 0.06816472837736 0.57404688164046 0.39294867773797 78.960 > 34 *35 Se 0.41111179763729 0.52512127193012 0.37625914359732 78.960 > 35 36 Se 0.93183527162264 0.07404688164046 0.10705132226203 78.960 > 36 37 Se 0.50286627812892 0.76974491296365 0.28281850663759 78.960 > 37 *38 Se 0.24158599358166 0.21526294764770 0.98859488045005 78.960 > 38 *39 Se 0.73206096269251 0.04328447391952 0.85414577836361 78.960 > 39 40 Se 0.06816472837736 0.92595311835954 0.89294867773797 78.960 > 40 41 Se 0.49713372187108 0.23025508703635 0.71718149336241 78.960 > 41 42 Se 0.99713372187108 0.23025508703635 0.78281850663759 78.960 > 42 43 Se 0.08888820236271 0.02512127193012 0.37625914359732 78.960 > 43 44 Se 0.41111179763729 0.97487872806988 0.87625914359732 78.960 > 44 45 Se 0.93183527162264 0.42595311835954 0.60705132226203 78.960 > 45 46 Se 0.08888820236271 0.47487872806988 0.87625914359732 78.960 > 46 47 Se 0.56816472837736 0.57404688164046 0.10705132226203 78.960 > 47 48 Se 0.73206096269251 0.45671552608048 0.35414577836361 78.960 > 48 49 Se 0.23206096269251 0.45671552608048 0.14585422163639 78.960 > 49 50 Se 0.43183527162264 0.42595311835954 0.89294867773797 78.960 > 50 51 Se 0.23206096269251 0.04328447391952 0.64585422163639 78.960 > 51 52 Se 0.75841400641834 0.71526294764770 0.51140511954995 78.960 > 52 53 Se 0.74158599358166 0.21526294764770 0.51140511954995 78.960 > 53 54 Se 0.76793903730749 0.54328447391952 0.85414577836361 78.960 > 54 55 Se 0.25841400641834 0.78473705235230 0.48859488045005 78.960 > 55 56 Se 0.26793903730749 0.54328447391952 0.64585422163639 78.960 > 56 57 Se 0.00286627812892 0.73025508703635 0.71718149336241 78.960 > 57 58 Se 0.26793903730749 0.95671552608048 0.14585422163639 78.960 > 58 59 Se 0.91111179763729 0.52512127193012 0.12374085640268 78.960 > 59 60 Se 0.50286627812892 0.73025508703635 0.78281850663759 78.960 > 60 61 Se 0.43183527162264 0.07404688164046 0.39294867773797 78.960 > 61 62 Se 0.58888820236271 0.02512127193012 0.12374085640268 78.960 > 62 63 Se 0.75841400641834 0.78473705235230 0.01140511954995 78.960 > 63 64 Se 0.76793903730749 0.95671552608048 0.35414577836361 78.960 > 64 65 Se 0.24158599358166 0.28473705235230 0.48859488045005 78.960 > 65 66 Se 0.58888820236271 0.47487872806988 0.62374085640268 78.960 > 66 67 Se 0.99713372187108 0.26974491296365 0.28281850663759 78.960 > 67 68 Se 0.00286627812892 0.76974491296365 0.21718149336241 78.960 > 68 69 Se 0.74158599358166 0.28473705235230 0.01140511954995 78.960 > 69 70 Se 0.56816472837736 0.92595311835954 0.60705132226203 78.960 > 70 71 Se 0.91111179763729 0.97487872806988 0.62374085640268 78.960 > 71 72 Se 0.25841400641834 0.71526294764770 0.98859488045005 78.960 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 24.495284640000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.587168379999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.119504100000000 Atomic positions (fractional): *1 Ba 0.12477656587321 0.31130009262734 0.74599089402714 137.327 > 1 2 Ba 0.62477656587321 0.31130009262734 0.74599089402714 137.327 > 1 *3 Ba 0.24785563696781 0.80822777983747 0.03004388481122 137.327 > 2 4 Ba 0.74785563696781 0.80822777983747 0.03004388481122 137.327 > 2 5 Ba 0.37522343412679 0.68869990737265 0.25400910597286 137.327 > 3 6 Ba 0.87522343412679 0.68869990737265 0.25400910597286 137.327 > 3 7 Ba 0.24785563696781 0.69177222016253 0.53004388481122 137.327 > 4 8 Ba 0.74785563696781 0.69177222016253 0.53004388481122 137.327 > 4 9 Ba 0.49785563696781 0.80822777983747 0.46995611518878 137.327 > 5 10 Ba 0.99785563696781 0.80822777983747 0.46995611518878 137.327 > 5 11 Ba 0.00214436303219 0.30822777983747 0.03004388481122 137.327 > 6 12 Ba 0.50214436303219 0.30822777983747 0.03004388481122 137.327 > 6 13 Ba 0.12522343412679 0.68869990737265 0.24599089402714 137.327 > 7 14 Ba 0.62522343412679 0.68869990737265 0.24599089402714 137.327 > 7 15 Ba 0.12477656587321 0.18869990737265 0.24599089402714 137.327 > 8 16 Ba 0.62477656587321 0.18869990737265 0.24599089402714 137.327 > 8 17 Ba 0.37477656587321 0.18869990737265 0.25400910597286 137.327 > 9 18 Ba 0.87477656587321 0.18869990737265 0.25400910597286 137.327 > 9 19 Ba 0.37477656587321 0.31130009262734 0.75400910597286 137.327 > 10 20 Ba 0.87477656587321 0.31130009262734 0.75400910597286 137.327 > 10 21 Ba 0.25214436303219 0.19177222016253 0.96995611518878 137.327 > 11 22 Ba 0.75214436303219 0.19177222016253 0.96995611518878 137.327 > 11 23 Ba 0.00214436303219 0.19177222016253 0.53004388481122 137.327 > 12 24 Ba 0.50214436303219 0.19177222016253 0.53004388481122 137.327 > 12 25 Ba 0.49785563696781 0.69177222016253 0.96995611518878 137.327 > 13 26 Ba 0.99785563696781 0.69177222016253 0.96995611518878 137.327 > 13 27 Ba 0.37522343412679 0.81130009262735 0.75400910597286 137.327 > 14 28 Ba 0.87522343412679 0.81130009262735 0.75400910597286 137.327 > 14 29 Ba 0.12522343412679 0.81130009262735 0.74599089402714 137.327 > 15 30 Ba 0.62522343412679 0.81130009262735 0.74599089402714 137.327 > 15 31 Ba 0.25214436303219 0.30822777983747 0.46995611518878 137.327 > 16 32 Ba 0.75214436303219 0.30822777983747 0.46995611518878 137.327 > 16 *33 In 0.28038111261185 0.55292587021762 0.80646649512612 114.818 > 17 34 In 0.78038111261185 0.55292587021762 0.80646649512612 114.818 > 17 35 In 0.21961888738815 0.44707412978238 0.19353350487388 114.818 > 18 36 In 0.71961888738815 0.44707412978238 0.19353350487388 114.818 > 18 *37 In 0.11401121591060 0.02931000376980 0.96483139297792 114.818 > 19 38 In 0.61401121591060 0.02931000376980 0.96483139297792 114.818 > 19 39 In 0.11401121591060 0.47068999623019 0.46483139297792 114.818 > 20 40 In 0.61401121591060 0.47068999623019 0.46483139297792 114.818 > 20 41 In 0.03038111261185 0.55292587021762 0.69353350487388 114.818 > 21 42 In 0.53038111261185 0.55292587021762 0.69353350487388 114.818 > 21 43 In 0.13598878408940 0.97068999623020 0.46483139297792 114.818 > 22 44 In 0.63598878408940 0.97068999623020 0.46483139297792 114.818 > 22 45 In 0.46961888738815 0.05292587021762 0.80646649512612 114.818 > 23 46 In 0.96961888738815 0.05292587021762 0.80646649512612 114.818 > 23 47 In 0.36401121591060 0.02931000376980 0.53516860702208 114.818 > 24 48 In 0.86401121591060 0.02931000376980 0.53516860702208 114.818 > 24 49 In 0.28038111261185 0.94707412978238 0.30646649512612 114.818 > 25 50 In 0.78038111261185 0.94707412978238 0.30646649512612 114.818 > 25 51 In 0.38598878408940 0.97068999623020 0.03516860702208 114.818 > 26 52 In 0.88598878408940 0.97068999623020 0.03516860702208 114.818 > 26 53 In 0.03038111261185 0.94707412978238 0.19353350487388 114.818 > 27 54 In 0.53038111261185 0.94707412978238 0.19353350487388 114.818 > 27 55 In 0.21961888738815 0.05292587021762 0.69353350487388 114.818 > 28 56 In 0.71961888738815 0.05292587021762 0.69353350487388 114.818 > 28 57 In 0.38598878408940 0.52931000376980 0.53516860702208 114.818 > 29 58 In 0.88598878408940 0.52931000376980 0.53516860702208 114.818 > 29 59 In 0.46961888738815 0.44707412978238 0.30646649512612 114.818 > 30 60 In 0.96961888738815 0.44707412978238 0.30646649512612 114.818 > 30 61 In 0.36401121591060 0.47068999623019 0.03516860702208 114.818 > 31 62 In 0.86401121591060 0.47068999623019 0.03516860702208 114.818 > 31 63 In 0.13598878408940 0.52931000376980 0.96483139297792 114.818 > 32 64 In 0.63598878408940 0.52931000376980 0.96483139297792 114.818 > 32 *65 Se 0.24856686093554 0.26974491296365 0.21718149336241 78.960 > 33 66 Se 0.74856686093554 0.26974491296365 0.21718149336241 78.960 > 33 *67 Se 0.03408236418868 0.57404688164046 0.39294867773797 78.960 > 34 68 Se 0.53408236418868 0.57404688164046 0.39294867773797 78.960 > 34 *69 Se 0.20555589881865 0.52512127193012 0.37625914359732 78.960 > 35 70 Se 0.70555589881865 0.52512127193012 0.37625914359732 78.960 > 35 71 Se 0.46591763581132 0.07404688164046 0.10705132226203 78.960 > 36 72 Se 0.96591763581132 0.07404688164046 0.10705132226203 78.960 > 36 73 Se 0.25143313906446 0.76974491296365 0.28281850663759 78.960 > 37 74 Se 0.75143313906446 0.76974491296365 0.28281850663759 78.960 > 37 *75 Se 0.12079299679083 0.21526294764770 0.98859488045005 78.960 > 38 76 Se 0.62079299679083 0.21526294764770 0.98859488045005 78.960 > 38 *77 Se 0.36603048134626 0.04328447391952 0.85414577836361 78.960 > 39 78 Se 0.86603048134626 0.04328447391952 0.85414577836361 78.960 > 39 79 Se 0.03408236418868 0.92595311835954 0.89294867773797 78.960 > 40 80 Se 0.53408236418868 0.92595311835954 0.89294867773797 78.960 > 40 81 Se 0.24856686093554 0.23025508703635 0.71718149336241 78.960 > 41 82 Se 0.74856686093554 0.23025508703635 0.71718149336241 78.960 > 41 83 Se 0.49856686093554 0.23025508703635 0.78281850663759 78.960 > 42 84 Se 0.99856686093554 0.23025508703635 0.78281850663759 78.960 > 42 85 Se 0.04444410118135 0.02512127193012 0.37625914359732 78.960 > 43 86 Se 0.54444410118135 0.02512127193012 0.37625914359732 78.960 > 43 87 Se 0.20555589881865 0.97487872806988 0.87625914359732 78.960 > 44 88 Se 0.70555589881865 0.97487872806988 0.87625914359732 78.960 > 44 89 Se 0.46591763581132 0.42595311835954 0.60705132226203 78.960 > 45 90 Se 0.96591763581132 0.42595311835954 0.60705132226203 78.960 > 45 91 Se 0.04444410118135 0.47487872806988 0.87625914359732 78.960 > 46 92 Se 0.54444410118135 0.47487872806988 0.87625914359732 78.960 > 46 93 Se 0.28408236418868 0.57404688164046 0.10705132226203 78.960 > 47 94 Se 0.78408236418868 0.57404688164046 0.10705132226203 78.960 > 47 95 Se 0.36603048134626 0.45671552608048 0.35414577836361 78.960 > 48 96 Se 0.86603048134626 0.45671552608048 0.35414577836361 78.960 > 48 97 Se 0.11603048134626 0.45671552608048 0.14585422163639 78.960 > 49 98 Se 0.61603048134626 0.45671552608048 0.14585422163639 78.960 > 49 99 Se 0.21591763581132 0.42595311835954 0.89294867773797 78.960 > 50 100 Se 0.71591763581132 0.42595311835954 0.89294867773797 78.960 > 50 101 Se 0.11603048134626 0.04328447391952 0.64585422163639 78.960 > 51 102 Se 0.61603048134626 0.04328447391952 0.64585422163639 78.960 > 51 103 Se 0.37920700320917 0.71526294764770 0.51140511954995 78.960 > 52 104 Se 0.87920700320917 0.71526294764770 0.51140511954995 78.960 > 52 105 Se 0.37079299679083 0.21526294764770 0.51140511954995 78.960 > 53 106 Se 0.87079299679083 0.21526294764770 0.51140511954995 78.960 > 53 107 Se 0.38396951865374 0.54328447391952 0.85414577836361 78.960 > 54 108 Se 0.88396951865374 0.54328447391952 0.85414577836361 78.960 > 54 109 Se 0.12920700320917 0.78473705235230 0.48859488045005 78.960 > 55 110 Se 0.62920700320917 0.78473705235230 0.48859488045005 78.960 > 55 111 Se 0.13396951865374 0.54328447391952 0.64585422163639 78.960 > 56 112 Se 0.63396951865374 0.54328447391952 0.64585422163639 78.960 > 56 113 Se 0.00143313906446 0.73025508703635 0.71718149336241 78.960 > 57 114 Se 0.50143313906446 0.73025508703635 0.71718149336241 78.960 > 57 115 Se 0.13396951865374 0.95671552608048 0.14585422163639 78.960 > 58 116 Se 0.63396951865374 0.95671552608048 0.14585422163639 78.960 > 58 117 Se 0.45555589881865 0.52512127193012 0.12374085640268 78.960 > 59 118 Se 0.95555589881865 0.52512127193012 0.12374085640268 78.960 > 59 119 Se 0.25143313906446 0.73025508703635 0.78281850663759 78.960 > 60 120 Se 0.75143313906446 0.73025508703635 0.78281850663759 78.960 > 60 121 Se 0.21591763581132 0.07404688164046 0.39294867773797 78.960 > 61 122 Se 0.71591763581132 0.07404688164046 0.39294867773797 78.960 > 61 123 Se 0.29444410118135 0.02512127193012 0.12374085640268 78.960 > 62 124 Se 0.79444410118135 0.02512127193012 0.12374085640268 78.960 > 62 125 Se 0.37920700320917 0.78473705235230 0.01140511954995 78.960 > 63 126 Se 0.87920700320917 0.78473705235230 0.01140511954995 78.960 > 63 127 Se 0.38396951865374 0.95671552608048 0.35414577836361 78.960 > 64 128 Se 0.88396951865374 0.95671552608048 0.35414577836361 78.960 > 64 129 Se 0.12079299679083 0.28473705235230 0.48859488045005 78.960 > 65 130 Se 0.62079299679083 0.28473705235230 0.48859488045005 78.960 > 65 131 Se 0.29444410118135 0.47487872806988 0.62374085640268 78.960 > 66 132 Se 0.79444410118135 0.47487872806988 0.62374085640268 78.960 > 66 133 Se 0.49856686093554 0.26974491296365 0.28281850663759 78.960 > 67 134 Se 0.99856686093554 0.26974491296365 0.28281850663759 78.960 > 67 135 Se 0.00143313906446 0.76974491296365 0.21718149336241 78.960 > 68 136 Se 0.50143313906446 0.76974491296365 0.21718149336241 78.960 > 68 137 Se 0.37079299679083 0.28473705235230 0.01140511954995 78.960 > 69 138 Se 0.87079299679083 0.28473705235230 0.01140511954995 78.960 > 69 139 Se 0.28408236418868 0.92595311835954 0.60705132226203 78.960 > 70 140 Se 0.78408236418868 0.92595311835954 0.60705132226203 78.960 > 70 141 Se 0.45555589881865 0.97487872806988 0.62374085640268 78.960 > 71 142 Se 0.95555589881865 0.97487872806988 0.62374085640268 78.960 > 71 143 Se 0.12920700320917 0.71526294764770 0.98859488045005 78.960 > 72 144 Se 0.62920700320917 0.71526294764770 0.98859488045005 78.960 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.1317167 0.0000000 0.0000000 0.0000000 7.6639115 0.0000000 0.0000000 0.0000000 7.1941485 -------------------------- Born effective charges -------------------------- 1 Ba 2.6852162 -0.1886758 0.0049089 0.0554857 2.7770091 -0.1331623 -0.0686748 0.0223581 2.6068100 2 Ba 2.8748531 -0.1410183 0.2924350 0.2727651 2.7243457 0.0716788 0.6032412 -0.1109610 2.7230852 3 Ba 2.6852162 -0.1886758 0.0049089 0.0554857 2.7770091 -0.1331623 -0.0686748 0.0223581 2.6068100 4 Ba 2.8748531 0.1410183 0.2924350 -0.2727651 2.7243457 -0.0716788 0.6032412 0.1109610 2.7230852 5 Ba 2.8748531 -0.1410183 -0.2924350 0.2727651 2.7243457 -0.0716788 -0.6032412 0.1109610 2.7230852 6 Ba 2.8748531 0.1410183 -0.2924350 -0.2727651 2.7243457 0.0716788 -0.6032412 -0.1109610 2.7230852 7 Ba 2.6852162 -0.1886758 -0.0049089 0.0554857 2.7770091 0.1331623 0.0686748 -0.0223581 2.6068100 8 Ba 2.6852162 0.1886758 0.0049089 -0.0554857 2.7770091 0.1331623 -0.0686748 -0.0223581 2.6068100 9 Ba 2.6852162 0.1886758 -0.0049089 -0.0554857 2.7770091 -0.1331623 0.0686748 0.0223581 2.6068100 10 Ba 2.6852162 -0.1886758 -0.0049089 0.0554857 2.7770091 0.1331623 0.0686748 -0.0223581 2.6068100 11 Ba 2.8748531 -0.1410183 0.2924350 0.2727651 2.7243457 0.0716788 0.6032412 -0.1109610 2.7230852 12 Ba 2.8748531 -0.1410183 -0.2924350 0.2727651 2.7243457 -0.0716788 -0.6032412 0.1109610 2.7230852 13 Ba 2.8748531 0.1410183 -0.2924350 -0.2727651 2.7243457 0.0716788 -0.6032412 -0.1109610 2.7230852 14 Ba 2.6852162 0.1886758 0.0049089 -0.0554857 2.7770091 0.1331623 -0.0686748 -0.0223581 2.6068100 15 Ba 2.6852162 0.1886758 -0.0049089 -0.0554857 2.7770091 -0.1331623 0.0686748 0.0223581 2.6068100 16 Ba 2.8748531 0.1410183 0.2924350 -0.2727651 2.7243457 -0.0716788 0.6032412 0.1109610 2.7230852 17 In 2.8252458 0.1947406 -0.4779742 -0.1272192 2.5796274 0.0139788 0.6042424 -0.0366427 2.8772201 18 In 2.8252458 0.1947406 -0.4779742 -0.1272192 2.5796274 0.0139788 0.6042424 -0.0366427 2.8772201 19 In 2.8211253 0.4060591 -0.3719879 0.0051474 2.5028127 -0.0967994 -0.0718053 0.1897925 2.6241074 20 In 2.8211253 -0.4060591 -0.3719879 -0.0051474 2.5028127 0.0967994 -0.0718053 -0.1897925 2.6241074 21 In 2.8252458 0.1947406 0.4779742 -0.1272192 2.5796274 -0.0139788 -0.6042424 0.0366427 2.8772201 22 In 2.8211253 0.4060591 0.3719879 0.0051474 2.5028127 0.0967994 0.0718053 -0.1897925 2.6241074 23 In 2.8252458 -0.1947406 0.4779742 0.1272192 2.5796274 0.0139788 -0.6042424 -0.0366427 2.8772201 24 In 2.8211253 0.4060591 0.3719879 0.0051474 2.5028127 0.0967994 0.0718053 -0.1897925 2.6241074 25 In 2.8252458 -0.1947406 -0.4779742 0.1272192 2.5796274 -0.0139788 0.6042424 0.0366427 2.8772201 26 In 2.8211253 0.4060591 -0.3719879 0.0051474 2.5028127 -0.0967994 -0.0718053 0.1897925 2.6241074 27 In 2.8252458 -0.1947406 0.4779742 0.1272192 2.5796274 0.0139788 -0.6042424 -0.0366427 2.8772201 28 In 2.8252458 -0.1947406 -0.4779742 0.1272192 2.5796274 -0.0139788 0.6042424 0.0366427 2.8772201 29 In 2.8211253 -0.4060591 -0.3719879 -0.0051474 2.5028127 0.0967994 -0.0718053 -0.1897925 2.6241074 30 In 2.8252458 0.1947406 0.4779742 -0.1272192 2.5796274 -0.0139788 -0.6042424 0.0366427 2.8772201 31 In 2.8211253 -0.4060591 0.3719879 -0.0051474 2.5028127 -0.0967994 0.0718053 0.1897925 2.6241074 32 In 2.8211253 -0.4060591 0.3719879 -0.0051474 2.5028127 -0.0967994 0.0718053 0.1897925 2.6241074 33 Se -2.0939512 0.1418636 -0.1974075 0.2640878 -2.1540401 0.0788607 -0.3839419 -0.0126017 -2.0324068 34 Se -2.5672913 -0.0088475 -0.3428412 -0.0012219 -2.0945378 -0.2480780 -0.4108957 -0.2052335 -1.6400353 35 Se -2.2553325 0.0374805 0.3696130 -0.0844694 -2.0147089 -0.2350576 0.2624612 -0.3099414 -2.7594606 36 Se -2.5672913 0.0088475 -0.3428412 0.0012219 -2.0945378 0.2480780 -0.4108957 0.2052335 -1.6400353 37 Se -2.0939512 -0.1418636 -0.1974075 -0.2640878 -2.1540401 -0.0788607 -0.3839419 0.0126017 -2.0324068 38 Se -2.1697239 0.1090881 0.2380566 0.0464379 -2.2827607 0.1374945 0.1162883 0.2016344 -1.9305032 39 Se -2.1201415 0.0340421 0.3226101 -0.0021557 -2.0377475 0.2114543 0.6329575 0.2134882 -2.4688167 40 Se -2.5672913 0.0088475 -0.3428412 0.0012219 -2.0945378 0.2480780 -0.4108957 0.2052335 -1.6400353 41 Se -2.0939512 -0.1418636 -0.1974075 -0.2640878 -2.1540401 -0.0788607 -0.3839419 0.0126017 -2.0324068 42 Se -2.0939512 -0.1418636 0.1974075 -0.2640878 -2.1540401 0.0788607 0.3839419 -0.0126017 -2.0324068 43 Se -2.2553325 -0.0374805 -0.3696130 0.0844694 -2.0147089 -0.2350576 -0.2624612 -0.3099414 -2.7594606 44 Se -2.2553325 -0.0374805 0.3696130 0.0844694 -2.0147089 0.2350576 0.2624612 0.3099414 -2.7594606 45 Se -2.5672913 -0.0088475 -0.3428412 -0.0012219 -2.0945378 -0.2480780 -0.4108957 -0.2052335 -1.6400353 46 Se -2.2553325 0.0374805 -0.3696130 -0.0844694 -2.0147089 0.2350576 -0.2624612 0.3099414 -2.7594606 47 Se -2.5672913 -0.0088475 0.3428412 -0.0012219 -2.0945378 0.2480780 0.4108957 0.2052335 -1.6400353 48 Se -2.1201415 -0.0340421 0.3226101 0.0021557 -2.0377475 -0.2114543 0.6329575 -0.2134882 -2.4688167 49 Se -2.1201415 -0.0340421 -0.3226101 0.0021557 -2.0377475 0.2114543 -0.6329575 0.2134882 -2.4688167 50 Se -2.5672913 -0.0088475 0.3428412 -0.0012219 -2.0945378 0.2480780 0.4108957 0.2052335 -1.6400353 51 Se -2.1201415 0.0340421 -0.3226101 -0.0021557 -2.0377475 -0.2114543 -0.6329575 -0.2134882 -2.4688167 52 Se -2.1697239 -0.1090881 0.2380566 -0.0464379 -2.2827607 -0.1374945 0.1162883 -0.2016344 -1.9305032 53 Se -2.1697239 0.1090881 -0.2380566 0.0464379 -2.2827607 -0.1374945 -0.1162883 -0.2016344 -1.9305032 54 Se -2.1201415 -0.0340421 -0.3226101 0.0021557 -2.0377475 0.2114543 -0.6329575 0.2134882 -2.4688167 55 Se -2.1697239 0.1090881 -0.2380566 0.0464379 -2.2827607 -0.1374945 -0.1162883 -0.2016344 -1.9305032 56 Se -2.1201415 -0.0340421 0.3226101 0.0021557 -2.0377475 -0.2114543 0.6329575 -0.2134882 -2.4688167 57 Se -2.0939512 0.1418636 0.1974075 0.2640878 -2.1540401 -0.0788607 0.3839419 0.0126017 -2.0324068 58 Se -2.1201415 0.0340421 0.3226101 -0.0021557 -2.0377475 0.2114543 0.6329575 0.2134882 -2.4688167 59 Se -2.2553325 0.0374805 -0.3696130 -0.0844694 -2.0147089 0.2350576 -0.2624612 0.3099414 -2.7594606 60 Se -2.0939512 0.1418636 -0.1974075 0.2640878 -2.1540401 0.0788607 -0.3839419 -0.0126017 -2.0324068 61 Se -2.5672913 0.0088475 0.3428412 0.0012219 -2.0945378 -0.2480780 0.4108957 -0.2052335 -1.6400353 62 Se -2.2553325 -0.0374805 0.3696130 0.0844694 -2.0147089 0.2350576 0.2624612 0.3099414 -2.7594606 63 Se -2.1697239 0.1090881 0.2380566 0.0464379 -2.2827607 0.1374945 0.1162883 0.2016344 -1.9305032 64 Se -2.1201415 0.0340421 -0.3226101 -0.0021557 -2.0377475 -0.2114543 -0.6329575 -0.2134882 -2.4688167 65 Se -2.1697239 -0.1090881 0.2380566 -0.0464379 -2.2827607 -0.1374945 0.1162883 -0.2016344 -1.9305032 66 Se -2.2553325 0.0374805 0.3696130 -0.0844694 -2.0147089 -0.2350576 0.2624612 -0.3099414 -2.7594606 67 Se -2.0939512 0.1418636 0.1974075 0.2640878 -2.1540401 -0.0788607 0.3839419 0.0126017 -2.0324068 68 Se -2.0939512 -0.1418636 0.1974075 -0.2640878 -2.1540401 0.0788607 0.3839419 -0.0126017 -2.0324068 69 Se -2.1697239 -0.1090881 -0.2380566 -0.0464379 -2.2827607 0.1374945 -0.1162883 0.2016344 -1.9305032 70 Se -2.5672913 0.0088475 0.3428412 0.0012219 -2.0945378 -0.2480780 0.4108957 -0.2052335 -1.6400353 71 Se -2.2553325 -0.0374805 -0.3696130 0.0844694 -2.0147089 -0.2350576 -0.2624612 -0.3099414 -2.7594606 72 Se -2.1697239 -0.1090881 -0.2380566 -0.0464379 -2.2827607 0.1374945 -0.1162883 0.2016344 -1.9305032 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 279 eigenvectors found. (1) Complementary block size: 53 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5913), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 35), data: (1296, 53) @ (53, 35) |-- (296, 279), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 284), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.007 Solver_block: 200 / 1120 - Time: 1.795 Solver_block: 300 / 1120 - Time: 1.794 Solver_block: 400 / 1120 - Time: 1.800 Solver_block: 500 / 1120 - Time: 1.797 Solver_block: 600 / 1120 - Time: 1.798 Solver_block: 700 / 1120 - Time: 1.795 Solver_block: 800 / 1120 - Time: 1.796 Solver_block: 900 / 1120 - Time: 1.797 Solver_block: 1000 / 1120 - Time: 1.794 Solver_block: 1100 / 1120 - Time: 1.799 Solver_block: 1120 / 1120 - Time: 0.607 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.092 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 284 eigenvectors found. (1) Complementary block size: 48 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 279 eigenvectors found. (1) Complementary block size: 53 (1) Compute compressed projector. (1) Use standard solver. (1) 35 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 282 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5913), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 282), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 35), data: (1296, 53) @ (53, 35) |-- (296, 279), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 232), data: True |-- (250, 233), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 30), data: (1296, 48) @ (48, 30) |-- (296, 284), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), 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 19:43:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:43:28]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.247642320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.587168379999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.119504100000000 Atomic positions (fractional): 1 Ba 0.24955313174643 0.31130009262734 0.74599089402714 137.327 2 Ba 0.49571127393562 0.80822777983747 0.03004388481122 137.327 3 Ba 0.75044686825357 0.68869990737265 0.25400910597286 137.327 4 Ba 0.49571127393562 0.69177222016253 0.53004388481122 137.327 5 Ba 0.99571127393562 0.80822777983747 0.46995611518878 137.327 6 Ba 0.00428872606438 0.30822777983747 0.03004388481122 137.327 7 Ba 0.25044686825357 0.68869990737265 0.24599089402714 137.327 8 Ba 0.24955313174643 0.18869990737265 0.24599089402714 137.327 9 Ba 0.74955313174643 0.18869990737265 0.25400910597286 137.327 10 Ba 0.74955313174643 0.31130009262734 0.75400910597286 137.327 11 Ba 0.50428872606438 0.19177222016253 0.96995611518878 137.327 12 Ba 0.00428872606438 0.19177222016253 0.53004388481122 137.327 13 Ba 0.99571127393562 0.69177222016253 0.96995611518878 137.327 14 Ba 0.75044686825357 0.81130009262735 0.75400910597286 137.327 15 Ba 0.25044686825357 0.81130009262735 0.74599089402714 137.327 16 Ba 0.50428872606438 0.30822777983747 0.46995611518878 137.327 17 In 0.56076222522371 0.55292587021762 0.80646649512612 114.818 18 In 0.43923777477629 0.44707412978238 0.19353350487388 114.818 19 In 0.22802243182120 0.02931000376980 0.96483139297792 114.818 20 In 0.22802243182120 0.47068999623019 0.46483139297792 114.818 21 In 0.06076222522371 0.55292587021762 0.69353350487388 114.818 22 In 0.27197756817880 0.97068999623020 0.46483139297792 114.818 23 In 0.93923777477629 0.05292587021762 0.80646649512612 114.818 24 In 0.72802243182120 0.02931000376980 0.53516860702208 114.818 25 In 0.56076222522371 0.94707412978238 0.30646649512612 114.818 26 In 0.77197756817880 0.97068999623020 0.03516860702208 114.818 27 In 0.06076222522371 0.94707412978238 0.19353350487388 114.818 28 In 0.43923777477629 0.05292587021762 0.69353350487388 114.818 29 In 0.77197756817880 0.52931000376980 0.53516860702208 114.818 30 In 0.93923777477629 0.44707412978238 0.30646649512612 114.818 31 In 0.72802243182120 0.47068999623019 0.03516860702208 114.818 32 In 0.27197756817880 0.52931000376980 0.96483139297792 114.818 33 Se 0.49713372187108 0.26974491296365 0.21718149336241 78.960 34 Se 0.06816472837736 0.57404688164046 0.39294867773797 78.960 35 Se 0.41111179763729 0.52512127193012 0.37625914359732 78.960 36 Se 0.93183527162264 0.07404688164046 0.10705132226203 78.960 37 Se 0.50286627812892 0.76974491296365 0.28281850663759 78.960 38 Se 0.24158599358166 0.21526294764770 0.98859488045005 78.960 39 Se 0.73206096269251 0.04328447391952 0.85414577836361 78.960 40 Se 0.06816472837736 0.92595311835954 0.89294867773797 78.960 41 Se 0.49713372187108 0.23025508703635 0.71718149336241 78.960 42 Se 0.99713372187108 0.23025508703635 0.78281850663759 78.960 43 Se 0.08888820236271 0.02512127193012 0.37625914359732 78.960 44 Se 0.41111179763729 0.97487872806988 0.87625914359732 78.960 45 Se 0.93183527162264 0.42595311835954 0.60705132226203 78.960 46 Se 0.08888820236271 0.47487872806988 0.87625914359732 78.960 47 Se 0.56816472837736 0.57404688164046 0.10705132226203 78.960 48 Se 0.73206096269251 0.45671552608048 0.35414577836361 78.960 49 Se 0.23206096269251 0.45671552608048 0.14585422163639 78.960 50 Se 0.43183527162264 0.42595311835954 0.89294867773797 78.960 51 Se 0.23206096269251 0.04328447391952 0.64585422163639 78.960 52 Se 0.75841400641834 0.71526294764770 0.51140511954995 78.960 53 Se 0.74158599358166 0.21526294764770 0.51140511954995 78.960 54 Se 0.76793903730749 0.54328447391952 0.85414577836361 78.960 55 Se 0.25841400641834 0.78473705235230 0.48859488045005 78.960 56 Se 0.26793903730749 0.54328447391952 0.64585422163639 78.960 57 Se 0.00286627812892 0.73025508703635 0.71718149336241 78.960 58 Se 0.26793903730749 0.95671552608048 0.14585422163639 78.960 59 Se 0.91111179763729 0.52512127193012 0.12374085640268 78.960 60 Se 0.50286627812892 0.73025508703635 0.78281850663759 78.960 61 Se 0.43183527162264 0.07404688164046 0.39294867773797 78.960 62 Se 0.58888820236271 0.02512127193012 0.12374085640268 78.960 63 Se 0.75841400641834 0.78473705235230 0.01140511954995 78.960 64 Se 0.76793903730749 0.95671552608048 0.35414577836361 78.960 65 Se 0.24158599358166 0.28473705235230 0.48859488045005 78.960 66 Se 0.58888820236271 0.47487872806988 0.62374085640268 78.960 67 Se 0.99713372187108 0.26974491296365 0.28281850663759 78.960 68 Se 0.00286627812892 0.76974491296365 0.21718149336241 78.960 69 Se 0.74158599358166 0.28473705235230 0.01140511954995 78.960 70 Se 0.56816472837736 0.92595311835954 0.60705132226203 78.960 71 Se 0.91111179763729 0.97487872806988 0.62374085640268 78.960 72 Se 0.25841400641834 0.71526294764770 0.98859488045005 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 24.495284640000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.587168379999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.119504100000000 Atomic positions (fractional): 1 Ba 0.12477656587321 0.31130009262734 0.74599089402714 137.327 > 1 2 Ba 0.62477656587321 0.31130009262734 0.74599089402714 137.327 > 1 3 Ba 0.24785563696781 0.80822777983747 0.03004388481122 137.327 > 3 4 Ba 0.74785563696781 0.80822777983747 0.03004388481122 137.327 > 3 5 Ba 0.37522343412679 0.68869990737265 0.25400910597286 137.327 > 5 6 Ba 0.87522343412679 0.68869990737265 0.25400910597286 137.327 > 5 7 Ba 0.24785563696781 0.69177222016253 0.53004388481122 137.327 > 7 8 Ba 0.74785563696781 0.69177222016253 0.53004388481122 137.327 > 7 9 Ba 0.49785563696781 0.80822777983747 0.46995611518878 137.327 > 9 10 Ba 0.99785563696781 0.80822777983747 0.46995611518878 137.327 > 9 11 Ba 0.00214436303219 0.30822777983747 0.03004388481122 137.327 > 11 12 Ba 0.50214436303219 0.30822777983747 0.03004388481122 137.327 > 11 13 Ba 0.12522343412679 0.68869990737265 0.24599089402714 137.327 > 13 14 Ba 0.62522343412679 0.68869990737265 0.24599089402714 137.327 > 13 15 Ba 0.12477656587321 0.18869990737265 0.24599089402714 137.327 > 15 16 Ba 0.62477656587321 0.18869990737265 0.24599089402714 137.327 > 15 17 Ba 0.37477656587321 0.18869990737265 0.25400910597286 137.327 > 17 18 Ba 0.87477656587321 0.18869990737265 0.25400910597286 137.327 > 17 19 Ba 0.37477656587321 0.31130009262734 0.75400910597286 137.327 > 19 20 Ba 0.87477656587321 0.31130009262734 0.75400910597286 137.327 > 19 21 Ba 0.25214436303219 0.19177222016253 0.96995611518878 137.327 > 21 22 Ba 0.75214436303219 0.19177222016253 0.96995611518878 137.327 > 21 23 Ba 0.00214436303219 0.19177222016253 0.53004388481122 137.327 > 23 24 Ba 0.50214436303219 0.19177222016253 0.53004388481122 137.327 > 23 25 Ba 0.49785563696781 0.69177222016253 0.96995611518878 137.327 > 25 26 Ba 0.99785563696781 0.69177222016253 0.96995611518878 137.327 > 25 27 Ba 0.37522343412679 0.81130009262735 0.75400910597286 137.327 > 27 28 Ba 0.87522343412679 0.81130009262735 0.75400910597286 137.327 > 27 29 Ba 0.12522343412679 0.81130009262735 0.74599089402714 137.327 > 29 30 Ba 0.62522343412679 0.81130009262735 0.74599089402714 137.327 > 29 31 Ba 0.25214436303219 0.30822777983747 0.46995611518878 137.327 > 31 32 Ba 0.75214436303219 0.30822777983747 0.46995611518878 137.327 > 31 33 In 0.28038111261185 0.55292587021762 0.80646649512612 114.818 > 33 34 In 0.78038111261185 0.55292587021762 0.80646649512612 114.818 > 33 35 In 0.21961888738815 0.44707412978238 0.19353350487388 114.818 > 35 36 In 0.71961888738815 0.44707412978238 0.19353350487388 114.818 > 35 37 In 0.11401121591060 0.02931000376980 0.96483139297792 114.818 > 37 38 In 0.61401121591060 0.02931000376980 0.96483139297792 114.818 > 37 39 In 0.11401121591060 0.47068999623019 0.46483139297792 114.818 > 39 40 In 0.61401121591060 0.47068999623019 0.46483139297792 114.818 > 39 41 In 0.03038111261185 0.55292587021762 0.69353350487388 114.818 > 41 42 In 0.53038111261185 0.55292587021762 0.69353350487388 114.818 > 41 43 In 0.13598878408940 0.97068999623020 0.46483139297792 114.818 > 43 44 In 0.63598878408940 0.97068999623020 0.46483139297792 114.818 > 43 45 In 0.46961888738815 0.05292587021762 0.80646649512612 114.818 > 45 46 In 0.96961888738815 0.05292587021762 0.80646649512612 114.818 > 45 47 In 0.36401121591060 0.02931000376980 0.53516860702208 114.818 > 47 48 In 0.86401121591060 0.02931000376980 0.53516860702208 114.818 > 47 49 In 0.28038111261185 0.94707412978238 0.30646649512612 114.818 > 49 50 In 0.78038111261185 0.94707412978238 0.30646649512612 114.818 > 49 51 In 0.38598878408940 0.97068999623020 0.03516860702208 114.818 > 51 52 In 0.88598878408940 0.97068999623020 0.03516860702208 114.818 > 51 53 In 0.03038111261185 0.94707412978238 0.19353350487388 114.818 > 53 54 In 0.53038111261185 0.94707412978238 0.19353350487388 114.818 > 53 55 In 0.21961888738815 0.05292587021762 0.69353350487388 114.818 > 55 56 In 0.71961888738815 0.05292587021762 0.69353350487388 114.818 > 55 57 In 0.38598878408940 0.52931000376980 0.53516860702208 114.818 > 57 58 In 0.88598878408940 0.52931000376980 0.53516860702208 114.818 > 57 59 In 0.46961888738815 0.44707412978238 0.30646649512612 114.818 > 59 60 In 0.96961888738815 0.44707412978238 0.30646649512612 114.818 > 59 61 In 0.36401121591060 0.47068999623019 0.03516860702208 114.818 > 61 62 In 0.86401121591060 0.47068999623019 0.03516860702208 114.818 > 61 63 In 0.13598878408940 0.52931000376980 0.96483139297792 114.818 > 63 64 In 0.63598878408940 0.52931000376980 0.96483139297792 114.818 > 63 65 Se 0.24856686093554 0.26974491296365 0.21718149336241 78.960 > 65 66 Se 0.74856686093554 0.26974491296365 0.21718149336241 78.960 > 65 67 Se 0.03408236418868 0.57404688164046 0.39294867773797 78.960 > 67 68 Se 0.53408236418868 0.57404688164046 0.39294867773797 78.960 > 67 69 Se 0.20555589881865 0.52512127193012 0.37625914359732 78.960 > 69 70 Se 0.70555589881865 0.52512127193012 0.37625914359732 78.960 > 69 71 Se 0.46591763581132 0.07404688164046 0.10705132226203 78.960 > 71 72 Se 0.96591763581132 0.07404688164046 0.10705132226203 78.960 > 71 73 Se 0.25143313906446 0.76974491296365 0.28281850663759 78.960 > 73 74 Se 0.75143313906446 0.76974491296365 0.28281850663759 78.960 > 73 75 Se 0.12079299679083 0.21526294764770 0.98859488045005 78.960 > 75 76 Se 0.62079299679083 0.21526294764770 0.98859488045005 78.960 > 75 77 Se 0.36603048134626 0.04328447391952 0.85414577836361 78.960 > 77 78 Se 0.86603048134626 0.04328447391952 0.85414577836361 78.960 > 77 79 Se 0.03408236418868 0.92595311835954 0.89294867773797 78.960 > 79 80 Se 0.53408236418868 0.92595311835954 0.89294867773797 78.960 > 79 81 Se 0.24856686093554 0.23025508703635 0.71718149336241 78.960 > 81 82 Se 0.74856686093554 0.23025508703635 0.71718149336241 78.960 > 81 83 Se 0.49856686093554 0.23025508703635 0.78281850663759 78.960 > 83 84 Se 0.99856686093554 0.23025508703635 0.78281850663759 78.960 > 83 85 Se 0.04444410118135 0.02512127193012 0.37625914359732 78.960 > 85 86 Se 0.54444410118135 0.02512127193012 0.37625914359732 78.960 > 85 87 Se 0.20555589881865 0.97487872806988 0.87625914359732 78.960 > 87 88 Se 0.70555589881865 0.97487872806988 0.87625914359732 78.960 > 87 89 Se 0.46591763581132 0.42595311835954 0.60705132226203 78.960 > 89 90 Se 0.96591763581132 0.42595311835954 0.60705132226203 78.960 > 89 91 Se 0.04444410118135 0.47487872806988 0.87625914359732 78.960 > 91 92 Se 0.54444410118135 0.47487872806988 0.87625914359732 78.960 > 91 93 Se 0.28408236418868 0.57404688164046 0.10705132226203 78.960 > 93 94 Se 0.78408236418868 0.57404688164046 0.10705132226203 78.960 > 93 95 Se 0.36603048134626 0.45671552608048 0.35414577836361 78.960 > 95 96 Se 0.86603048134626 0.45671552608048 0.35414577836361 78.960 > 95 97 Se 0.11603048134626 0.45671552608048 0.14585422163639 78.960 > 97 98 Se 0.61603048134626 0.45671552608048 0.14585422163639 78.960 > 97 99 Se 0.21591763581132 0.42595311835954 0.89294867773797 78.960 > 99 100 Se 0.71591763581132 0.42595311835954 0.89294867773797 78.960 > 99 101 Se 0.11603048134626 0.04328447391952 0.64585422163639 78.960 > 101 102 Se 0.61603048134626 0.04328447391952 0.64585422163639 78.960 > 101 103 Se 0.37920700320917 0.71526294764770 0.51140511954995 78.960 > 103 104 Se 0.87920700320917 0.71526294764770 0.51140511954995 78.960 > 103 105 Se 0.37079299679083 0.21526294764770 0.51140511954995 78.960 > 105 106 Se 0.87079299679083 0.21526294764770 0.51140511954995 78.960 > 105 107 Se 0.38396951865374 0.54328447391952 0.85414577836361 78.960 > 107 108 Se 0.88396951865374 0.54328447391952 0.85414577836361 78.960 > 107 109 Se 0.12920700320917 0.78473705235230 0.48859488045005 78.960 > 109 110 Se 0.62920700320917 0.78473705235230 0.48859488045005 78.960 > 109 111 Se 0.13396951865374 0.54328447391952 0.64585422163639 78.960 > 111 112 Se 0.63396951865374 0.54328447391952 0.64585422163639 78.960 > 111 113 Se 0.00143313906446 0.73025508703635 0.71718149336241 78.960 > 113 114 Se 0.50143313906446 0.73025508703635 0.71718149336241 78.960 > 113 115 Se 0.13396951865374 0.95671552608048 0.14585422163639 78.960 > 115 116 Se 0.63396951865374 0.95671552608048 0.14585422163639 78.960 > 115 117 Se 0.45555589881865 0.52512127193012 0.12374085640268 78.960 > 117 118 Se 0.95555589881865 0.52512127193012 0.12374085640268 78.960 > 117 119 Se 0.25143313906446 0.73025508703635 0.78281850663759 78.960 > 119 120 Se 0.75143313906446 0.73025508703635 0.78281850663759 78.960 > 119 121 Se 0.21591763581132 0.07404688164046 0.39294867773797 78.960 > 121 122 Se 0.71591763581132 0.07404688164046 0.39294867773797 78.960 > 121 123 Se 0.29444410118135 0.02512127193012 0.12374085640268 78.960 > 123 124 Se 0.79444410118135 0.02512127193012 0.12374085640268 78.960 > 123 125 Se 0.37920700320917 0.78473705235230 0.01140511954995 78.960 > 125 126 Se 0.87920700320917 0.78473705235230 0.01140511954995 78.960 > 125 127 Se 0.38396951865374 0.95671552608048 0.35414577836361 78.960 > 127 128 Se 0.88396951865374 0.95671552608048 0.35414577836361 78.960 > 127 129 Se 0.12079299679083 0.28473705235230 0.48859488045005 78.960 > 129 130 Se 0.62079299679083 0.28473705235230 0.48859488045005 78.960 > 129 131 Se 0.29444410118135 0.47487872806988 0.62374085640268 78.960 > 131 132 Se 0.79444410118135 0.47487872806988 0.62374085640268 78.960 > 131 133 Se 0.49856686093554 0.26974491296365 0.28281850663759 78.960 > 133 134 Se 0.99856686093554 0.26974491296365 0.28281850663759 78.960 > 133 135 Se 0.00143313906446 0.76974491296365 0.21718149336241 78.960 > 135 136 Se 0.50143313906446 0.76974491296365 0.21718149336241 78.960 > 135 137 Se 0.37079299679083 0.28473705235230 0.01140511954995 78.960 > 137 138 Se 0.87079299679083 0.28473705235230 0.01140511954995 78.960 > 137 139 Se 0.28408236418868 0.92595311835954 0.60705132226203 78.960 > 139 140 Se 0.78408236418868 0.92595311835954 0.60705132226203 78.960 > 139 141 Se 0.45555589881865 0.97487872806988 0.62374085640268 78.960 > 141 142 Se 0.95555589881865 0.97487872806988 0.62374085640268 78.960 > 141 143 Se 0.12920700320917 0.71526294764770 0.98859488045005 78.960 > 143 144 Se 0.62920700320917 0.71526294764770 0.98859488045005 78.960 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.1317167 0.0000000 0.0000000 0.0000000 7.6639115 0.0000000 0.0000000 0.0000000 7.1941485 -------------------------- Born effective charges -------------------------- 1 Ba 2.6852162 -0.1886758 0.0049089 0.0554857 2.7770091 -0.1331623 -0.0686748 0.0223581 2.6068100 2 Ba 2.8748531 -0.1410183 0.2924350 0.2727651 2.7243457 0.0716788 0.6032412 -0.1109610 2.7230852 3 Ba 2.6852162 -0.1886758 0.0049089 0.0554857 2.7770091 -0.1331623 -0.0686748 0.0223581 2.6068100 4 Ba 2.8748531 0.1410183 0.2924350 -0.2727651 2.7243457 -0.0716788 0.6032412 0.1109610 2.7230852 5 Ba 2.8748531 -0.1410183 -0.2924350 0.2727651 2.7243457 -0.0716788 -0.6032412 0.1109610 2.7230852 6 Ba 2.8748531 0.1410183 -0.2924350 -0.2727651 2.7243457 0.0716788 -0.6032412 -0.1109610 2.7230852 7 Ba 2.6852162 -0.1886758 -0.0049089 0.0554857 2.7770091 0.1331623 0.0686748 -0.0223581 2.6068100 8 Ba 2.6852162 0.1886758 0.0049089 -0.0554857 2.7770091 0.1331623 -0.0686748 -0.0223581 2.6068100 9 Ba 2.6852162 0.1886758 -0.0049089 -0.0554857 2.7770091 -0.1331623 0.0686748 0.0223581 2.6068100 10 Ba 2.6852162 -0.1886758 -0.0049089 0.0554857 2.7770091 0.1331623 0.0686748 -0.0223581 2.6068100 11 Ba 2.8748531 -0.1410183 0.2924350 0.2727651 2.7243457 0.0716788 0.6032412 -0.1109610 2.7230852 12 Ba 2.8748531 -0.1410183 -0.2924350 0.2727651 2.7243457 -0.0716788 -0.6032412 0.1109610 2.7230852 13 Ba 2.8748531 0.1410183 -0.2924350 -0.2727651 2.7243457 0.0716788 -0.6032412 -0.1109610 2.7230852 14 Ba 2.6852162 0.1886758 0.0049089 -0.0554857 2.7770091 0.1331623 -0.0686748 -0.0223581 2.6068100 15 Ba 2.6852162 0.1886758 -0.0049089 -0.0554857 2.7770091 -0.1331623 0.0686748 0.0223581 2.6068100 16 Ba 2.8748531 0.1410183 0.2924350 -0.2727651 2.7243457 -0.0716788 0.6032412 0.1109610 2.7230852 17 In 2.8252458 0.1947406 -0.4779742 -0.1272192 2.5796274 0.0139788 0.6042424 -0.0366427 2.8772201 18 In 2.8252458 0.1947406 -0.4779742 -0.1272192 2.5796274 0.0139788 0.6042424 -0.0366427 2.8772201 19 In 2.8211253 0.4060591 -0.3719879 0.0051474 2.5028127 -0.0967994 -0.0718053 0.1897925 2.6241074 20 In 2.8211253 -0.4060591 -0.3719879 -0.0051474 2.5028127 0.0967994 -0.0718053 -0.1897925 2.6241074 21 In 2.8252458 0.1947406 0.4779742 -0.1272192 2.5796274 -0.0139788 -0.6042424 0.0366427 2.8772201 22 In 2.8211253 0.4060591 0.3719879 0.0051474 2.5028127 0.0967994 0.0718053 -0.1897925 2.6241074 23 In 2.8252458 -0.1947406 0.4779742 0.1272192 2.5796274 0.0139788 -0.6042424 -0.0366427 2.8772201 24 In 2.8211253 0.4060591 0.3719879 0.0051474 2.5028127 0.0967994 0.0718053 -0.1897925 2.6241074 25 In 2.8252458 -0.1947406 -0.4779742 0.1272192 2.5796274 -0.0139788 0.6042424 0.0366427 2.8772201 26 In 2.8211253 0.4060591 -0.3719879 0.0051474 2.5028127 -0.0967994 -0.0718053 0.1897925 2.6241074 27 In 2.8252458 -0.1947406 0.4779742 0.1272192 2.5796274 0.0139788 -0.6042424 -0.0366427 2.8772201 28 In 2.8252458 -0.1947406 -0.4779742 0.1272192 2.5796274 -0.0139788 0.6042424 0.0366427 2.8772201 29 In 2.8211253 -0.4060591 -0.3719879 -0.0051474 2.5028127 0.0967994 -0.0718053 -0.1897925 2.6241074 30 In 2.8252458 0.1947406 0.4779742 -0.1272192 2.5796274 -0.0139788 -0.6042424 0.0366427 2.8772201 31 In 2.8211253 -0.4060591 0.3719879 -0.0051474 2.5028127 -0.0967994 0.0718053 0.1897925 2.6241074 32 In 2.8211253 -0.4060591 0.3719879 -0.0051474 2.5028127 -0.0967994 0.0718053 0.1897925 2.6241074 33 Se -2.0939512 0.1418636 -0.1974075 0.2640878 -2.1540401 0.0788607 -0.3839419 -0.0126017 -2.0324068 34 Se -2.5672913 -0.0088475 -0.3428412 -0.0012219 -2.0945378 -0.2480780 -0.4108957 -0.2052335 -1.6400353 35 Se -2.2553325 0.0374805 0.3696130 -0.0844694 -2.0147089 -0.2350576 0.2624612 -0.3099414 -2.7594606 36 Se -2.5672913 0.0088475 -0.3428412 0.0012219 -2.0945378 0.2480780 -0.4108957 0.2052335 -1.6400353 37 Se -2.0939512 -0.1418636 -0.1974075 -0.2640878 -2.1540401 -0.0788607 -0.3839419 0.0126017 -2.0324068 38 Se -2.1697239 0.1090881 0.2380566 0.0464379 -2.2827607 0.1374945 0.1162883 0.2016344 -1.9305032 39 Se -2.1201415 0.0340421 0.3226101 -0.0021557 -2.0377475 0.2114543 0.6329575 0.2134882 -2.4688167 40 Se -2.5672913 0.0088475 -0.3428412 0.0012219 -2.0945378 0.2480780 -0.4108957 0.2052335 -1.6400353 41 Se -2.0939512 -0.1418636 -0.1974075 -0.2640878 -2.1540401 -0.0788607 -0.3839419 0.0126017 -2.0324068 42 Se -2.0939512 -0.1418636 0.1974075 -0.2640878 -2.1540401 0.0788607 0.3839419 -0.0126017 -2.0324068 43 Se -2.2553325 -0.0374805 -0.3696130 0.0844694 -2.0147089 -0.2350576 -0.2624612 -0.3099414 -2.7594606 44 Se -2.2553325 -0.0374805 0.3696130 0.0844694 -2.0147089 0.2350576 0.2624612 0.3099414 -2.7594606 45 Se -2.5672913 -0.0088475 -0.3428412 -0.0012219 -2.0945378 -0.2480780 -0.4108957 -0.2052335 -1.6400353 46 Se -2.2553325 0.0374805 -0.3696130 -0.0844694 -2.0147089 0.2350576 -0.2624612 0.3099414 -2.7594606 47 Se -2.5672913 -0.0088475 0.3428412 -0.0012219 -2.0945378 0.2480780 0.4108957 0.2052335 -1.6400353 48 Se -2.1201415 -0.0340421 0.3226101 0.0021557 -2.0377475 -0.2114543 0.6329575 -0.2134882 -2.4688167 49 Se -2.1201415 -0.0340421 -0.3226101 0.0021557 -2.0377475 0.2114543 -0.6329575 0.2134882 -2.4688167 50 Se -2.5672913 -0.0088475 0.3428412 -0.0012219 -2.0945378 0.2480780 0.4108957 0.2052335 -1.6400353 51 Se -2.1201415 0.0340421 -0.3226101 -0.0021557 -2.0377475 -0.2114543 -0.6329575 -0.2134882 -2.4688167 52 Se -2.1697239 -0.1090881 0.2380566 -0.0464379 -2.2827607 -0.1374945 0.1162883 -0.2016344 -1.9305032 53 Se -2.1697239 0.1090881 -0.2380566 0.0464379 -2.2827607 -0.1374945 -0.1162883 -0.2016344 -1.9305032 54 Se -2.1201415 -0.0340421 -0.3226101 0.0021557 -2.0377475 0.2114543 -0.6329575 0.2134882 -2.4688167 55 Se -2.1697239 0.1090881 -0.2380566 0.0464379 -2.2827607 -0.1374945 -0.1162883 -0.2016344 -1.9305032 56 Se -2.1201415 -0.0340421 0.3226101 0.0021557 -2.0377475 -0.2114543 0.6329575 -0.2134882 -2.4688167 57 Se -2.0939512 0.1418636 0.1974075 0.2640878 -2.1540401 -0.0788607 0.3839419 0.0126017 -2.0324068 58 Se -2.1201415 0.0340421 0.3226101 -0.0021557 -2.0377475 0.2114543 0.6329575 0.2134882 -2.4688167 59 Se -2.2553325 0.0374805 -0.3696130 -0.0844694 -2.0147089 0.2350576 -0.2624612 0.3099414 -2.7594606 60 Se -2.0939512 0.1418636 -0.1974075 0.2640878 -2.1540401 0.0788607 -0.3839419 -0.0126017 -2.0324068 61 Se -2.5672913 0.0088475 0.3428412 0.0012219 -2.0945378 -0.2480780 0.4108957 -0.2052335 -1.6400353 62 Se -2.2553325 -0.0374805 0.3696130 0.0844694 -2.0147089 0.2350576 0.2624612 0.3099414 -2.7594606 63 Se -2.1697239 0.1090881 0.2380566 0.0464379 -2.2827607 0.1374945 0.1162883 0.2016344 -1.9305032 64 Se -2.1201415 0.0340421 -0.3226101 -0.0021557 -2.0377475 -0.2114543 -0.6329575 -0.2134882 -2.4688167 65 Se -2.1697239 -0.1090881 0.2380566 -0.0464379 -2.2827607 -0.1374945 0.1162883 -0.2016344 -1.9305032 66 Se -2.2553325 0.0374805 0.3696130 -0.0844694 -2.0147089 -0.2350576 0.2624612 -0.3099414 -2.7594606 67 Se -2.0939512 0.1418636 0.1974075 0.2640878 -2.1540401 -0.0788607 0.3839419 0.0126017 -2.0324068 68 Se -2.0939512 -0.1418636 0.1974075 -0.2640878 -2.1540401 0.0788607 0.3839419 -0.0126017 -2.0324068 69 Se -2.1697239 -0.1090881 -0.2380566 -0.0464379 -2.2827607 0.1374945 -0.1162883 0.2016344 -1.9305032 70 Se -2.5672913 0.0088475 0.3428412 0.0012219 -2.0945378 -0.2480780 0.4108957 -0.2052335 -1.6400353 71 Se -2.2553325 -0.0374805 -0.3696130 0.0844694 -2.0147089 -0.2350576 -0.2624612 -0.3099414 -2.7594606 72 Se -2.1697239 -0.1090881 -0.2380566 -0.0464379 -2.2827607 0.1374945 -0.1162883 0.2016344 -1.9305032 ---------------------------------------------------------------------------- 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[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 67, 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[ 69, 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[ 75, 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[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xy) -0.00000000 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:44:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 19:44:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.247642320000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.587168379999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.119504100000000 Atomic positions (fractional): 1 Ba 0.24955313174643 0.31130009262734 0.74599089402714 137.327 2 Ba 0.49571127393562 0.80822777983747 0.03004388481122 137.327 3 Ba 0.75044686825357 0.68869990737265 0.25400910597286 137.327 4 Ba 0.49571127393562 0.69177222016253 0.53004388481122 137.327 5 Ba 0.99571127393562 0.80822777983747 0.46995611518878 137.327 6 Ba 0.00428872606438 0.30822777983747 0.03004388481122 137.327 7 Ba 0.25044686825357 0.68869990737265 0.24599089402714 137.327 8 Ba 0.24955313174643 0.18869990737265 0.24599089402714 137.327 9 Ba 0.74955313174643 0.18869990737265 0.25400910597286 137.327 10 Ba 0.74955313174643 0.31130009262734 0.75400910597286 137.327 11 Ba 0.50428872606438 0.19177222016253 0.96995611518878 137.327 12 Ba 0.00428872606438 0.19177222016253 0.53004388481122 137.327 13 Ba 0.99571127393562 0.69177222016253 0.96995611518878 137.327 14 Ba 0.75044686825357 0.81130009262735 0.75400910597286 137.327 15 Ba 0.25044686825357 0.81130009262735 0.74599089402714 137.327 16 Ba 0.50428872606438 0.30822777983747 0.46995611518878 137.327 17 In 0.56076222522371 0.55292587021762 0.80646649512612 114.818 18 In 0.43923777477629 0.44707412978238 0.19353350487388 114.818 19 In 0.22802243182120 0.02931000376980 0.96483139297792 114.818 20 In 0.22802243182120 0.47068999623019 0.46483139297792 114.818 21 In 0.06076222522371 0.55292587021762 0.69353350487388 114.818 22 In 0.27197756817880 0.97068999623020 0.46483139297792 114.818 23 In 0.93923777477629 0.05292587021762 0.80646649512612 114.818 24 In 0.72802243182120 0.02931000376980 0.53516860702208 114.818 25 In 0.56076222522371 0.94707412978238 0.30646649512612 114.818 26 In 0.77197756817880 0.97068999623020 0.03516860702208 114.818 27 In 0.06076222522371 0.94707412978238 0.19353350487388 114.818 28 In 0.43923777477629 0.05292587021762 0.69353350487388 114.818 29 In 0.77197756817880 0.52931000376980 0.53516860702208 114.818 30 In 0.93923777477629 0.44707412978238 0.30646649512612 114.818 31 In 0.72802243182120 0.47068999623019 0.03516860702208 114.818 32 In 0.27197756817880 0.52931000376980 0.96483139297792 114.818 33 Se 0.49713372187108 0.26974491296365 0.21718149336241 78.960 34 Se 0.06816472837736 0.57404688164046 0.39294867773797 78.960 35 Se 0.41111179763729 0.52512127193012 0.37625914359732 78.960 36 Se 0.93183527162264 0.07404688164046 0.10705132226203 78.960 37 Se 0.50286627812892 0.76974491296365 0.28281850663759 78.960 38 Se 0.24158599358166 0.21526294764770 0.98859488045005 78.960 39 Se 0.73206096269251 0.04328447391952 0.85414577836361 78.960 40 Se 0.06816472837736 0.92595311835954 0.89294867773797 78.960 41 Se 0.49713372187108 0.23025508703635 0.71718149336241 78.960 42 Se 0.99713372187108 0.23025508703635 0.78281850663759 78.960 43 Se 0.08888820236271 0.02512127193012 0.37625914359732 78.960 44 Se 0.41111179763729 0.97487872806988 0.87625914359732 78.960 45 Se 0.93183527162264 0.42595311835954 0.60705132226203 78.960 46 Se 0.08888820236271 0.47487872806988 0.87625914359732 78.960 47 Se 0.56816472837736 0.57404688164046 0.10705132226203 78.960 48 Se 0.73206096269251 0.45671552608048 0.35414577836361 78.960 49 Se 0.23206096269251 0.45671552608048 0.14585422163639 78.960 50 Se 0.43183527162264 0.42595311835954 0.89294867773797 78.960 51 Se 0.23206096269251 0.04328447391952 0.64585422163639 78.960 52 Se 0.75841400641834 0.71526294764770 0.51140511954995 78.960 53 Se 0.74158599358166 0.21526294764770 0.51140511954995 78.960 54 Se 0.76793903730749 0.54328447391952 0.85414577836361 78.960 55 Se 0.25841400641834 0.78473705235230 0.48859488045005 78.960 56 Se 0.26793903730749 0.54328447391952 0.64585422163639 78.960 57 Se 0.00286627812892 0.73025508703635 0.71718149336241 78.960 58 Se 0.26793903730749 0.95671552608048 0.14585422163639 78.960 59 Se 0.91111179763729 0.52512127193012 0.12374085640268 78.960 60 Se 0.50286627812892 0.73025508703635 0.78281850663759 78.960 61 Se 0.43183527162264 0.07404688164046 0.39294867773797 78.960 62 Se 0.58888820236271 0.02512127193012 0.12374085640268 78.960 63 Se 0.75841400641834 0.78473705235230 0.01140511954995 78.960 64 Se 0.76793903730749 0.95671552608048 0.35414577836361 78.960 65 Se 0.24158599358166 0.28473705235230 0.48859488045005 78.960 66 Se 0.58888820236271 0.47487872806988 0.62374085640268 78.960 67 Se 0.99713372187108 0.26974491296365 0.28281850663759 78.960 68 Se 0.00286627812892 0.76974491296365 0.21718149336241 78.960 69 Se 0.74158599358166 0.28473705235230 0.01140511954995 78.960 70 Se 0.56816472837736 0.92595311835954 0.60705132226203 78.960 71 Se 0.91111179763729 0.97487872806988 0.62374085640268 78.960 72 Se 0.25841400641834 0.71526294764770 0.98859488045005 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 24.495284640000001 0.000000000000000 0.000000000000000 b 0.000000000000000 13.587168379999998 0.000000000000000 c 0.000000000000000 0.000000000000000 13.119504100000000 Atomic positions (fractional): 1 Ba 0.12477656587321 0.31130009262734 0.74599089402714 137.327 > 1 2 Ba 0.62477656587321 0.31130009262734 0.74599089402714 137.327 > 1 3 Ba 0.24785563696781 0.80822777983747 0.03004388481122 137.327 > 3 4 Ba 0.74785563696781 0.80822777983747 0.03004388481122 137.327 > 3 5 Ba 0.37522343412679 0.68869990737265 0.25400910597286 137.327 > 5 6 Ba 0.87522343412679 0.68869990737265 0.25400910597286 137.327 > 5 7 Ba 0.24785563696781 0.69177222016253 0.53004388481122 137.327 > 7 8 Ba 0.74785563696781 0.69177222016253 0.53004388481122 137.327 > 7 9 Ba 0.49785563696781 0.80822777983747 0.46995611518878 137.327 > 9 10 Ba 0.99785563696781 0.80822777983747 0.46995611518878 137.327 > 9 11 Ba 0.00214436303219 0.30822777983747 0.03004388481122 137.327 > 11 12 Ba 0.50214436303219 0.30822777983747 0.03004388481122 137.327 > 11 13 Ba 0.12522343412679 0.68869990737265 0.24599089402714 137.327 > 13 14 Ba 0.62522343412679 0.68869990737265 0.24599089402714 137.327 > 13 15 Ba 0.12477656587321 0.18869990737265 0.24599089402714 137.327 > 15 16 Ba 0.62477656587321 0.18869990737265 0.24599089402714 137.327 > 15 17 Ba 0.37477656587321 0.18869990737265 0.25400910597286 137.327 > 17 18 Ba 0.87477656587321 0.18869990737265 0.25400910597286 137.327 > 17 19 Ba 0.37477656587321 0.31130009262734 0.75400910597286 137.327 > 19 20 Ba 0.87477656587321 0.31130009262734 0.75400910597286 137.327 > 19 21 Ba 0.25214436303219 0.19177222016253 0.96995611518878 137.327 > 21 22 Ba 0.75214436303219 0.19177222016253 0.96995611518878 137.327 > 21 23 Ba 0.00214436303219 0.19177222016253 0.53004388481122 137.327 > 23 24 Ba 0.50214436303219 0.19177222016253 0.53004388481122 137.327 > 23 25 Ba 0.49785563696781 0.69177222016253 0.96995611518878 137.327 > 25 26 Ba 0.99785563696781 0.69177222016253 0.96995611518878 137.327 > 25 27 Ba 0.37522343412679 0.81130009262735 0.75400910597286 137.327 > 27 28 Ba 0.87522343412679 0.81130009262735 0.75400910597286 137.327 > 27 29 Ba 0.12522343412679 0.81130009262735 0.74599089402714 137.327 > 29 30 Ba 0.62522343412679 0.81130009262735 0.74599089402714 137.327 > 29 31 Ba 0.25214436303219 0.30822777983747 0.46995611518878 137.327 > 31 32 Ba 0.75214436303219 0.30822777983747 0.46995611518878 137.327 > 31 33 In 0.28038111261185 0.55292587021762 0.80646649512612 114.818 > 33 34 In 0.78038111261185 0.55292587021762 0.80646649512612 114.818 > 33 35 In 0.21961888738815 0.44707412978238 0.19353350487388 114.818 > 35 36 In 0.71961888738815 0.44707412978238 0.19353350487388 114.818 > 35 37 In 0.11401121591060 0.02931000376980 0.96483139297792 114.818 > 37 38 In 0.61401121591060 0.02931000376980 0.96483139297792 114.818 > 37 39 In 0.11401121591060 0.47068999623019 0.46483139297792 114.818 > 39 40 In 0.61401121591060 0.47068999623019 0.46483139297792 114.818 > 39 41 In 0.03038111261185 0.55292587021762 0.69353350487388 114.818 > 41 42 In 0.53038111261185 0.55292587021762 0.69353350487388 114.818 > 41 43 In 0.13598878408940 0.97068999623020 0.46483139297792 114.818 > 43 44 In 0.63598878408940 0.97068999623020 0.46483139297792 114.818 > 43 45 In 0.46961888738815 0.05292587021762 0.80646649512612 114.818 > 45 46 In 0.96961888738815 0.05292587021762 0.80646649512612 114.818 > 45 47 In 0.36401121591060 0.02931000376980 0.53516860702208 114.818 > 47 48 In 0.86401121591060 0.02931000376980 0.53516860702208 114.818 > 47 49 In 0.28038111261185 0.94707412978238 0.30646649512612 114.818 > 49 50 In 0.78038111261185 0.94707412978238 0.30646649512612 114.818 > 49 51 In 0.38598878408940 0.97068999623020 0.03516860702208 114.818 > 51 52 In 0.88598878408940 0.97068999623020 0.03516860702208 114.818 > 51 53 In 0.03038111261185 0.94707412978238 0.19353350487388 114.818 > 53 54 In 0.53038111261185 0.94707412978238 0.19353350487388 114.818 > 53 55 In 0.21961888738815 0.05292587021762 0.69353350487388 114.818 > 55 56 In 0.71961888738815 0.05292587021762 0.69353350487388 114.818 > 55 57 In 0.38598878408940 0.52931000376980 0.53516860702208 114.818 > 57 58 In 0.88598878408940 0.52931000376980 0.53516860702208 114.818 > 57 59 In 0.46961888738815 0.44707412978238 0.30646649512612 114.818 > 59 60 In 0.96961888738815 0.44707412978238 0.30646649512612 114.818 > 59 61 In 0.36401121591060 0.47068999623019 0.03516860702208 114.818 > 61 62 In 0.86401121591060 0.47068999623019 0.03516860702208 114.818 > 61 63 In 0.13598878408940 0.52931000376980 0.96483139297792 114.818 > 63 64 In 0.63598878408940 0.52931000376980 0.96483139297792 114.818 > 63 65 Se 0.24856686093554 0.26974491296365 0.21718149336241 78.960 > 65 66 Se 0.74856686093554 0.26974491296365 0.21718149336241 78.960 > 65 67 Se 0.03408236418868 0.57404688164046 0.39294867773797 78.960 > 67 68 Se 0.53408236418868 0.57404688164046 0.39294867773797 78.960 > 67 69 Se 0.20555589881865 0.52512127193012 0.37625914359732 78.960 > 69 70 Se 0.70555589881865 0.52512127193012 0.37625914359732 78.960 > 69 71 Se 0.46591763581132 0.07404688164046 0.10705132226203 78.960 > 71 72 Se 0.96591763581132 0.07404688164046 0.10705132226203 78.960 > 71 73 Se 0.25143313906446 0.76974491296365 0.28281850663759 78.960 > 73 74 Se 0.75143313906446 0.76974491296365 0.28281850663759 78.960 > 73 75 Se 0.12079299679083 0.21526294764770 0.98859488045005 78.960 > 75 76 Se 0.62079299679083 0.21526294764770 0.98859488045005 78.960 > 75 77 Se 0.36603048134626 0.04328447391952 0.85414577836361 78.960 > 77 78 Se 0.86603048134626 0.04328447391952 0.85414577836361 78.960 > 77 79 Se 0.03408236418868 0.92595311835954 0.89294867773797 78.960 > 79 80 Se 0.53408236418868 0.92595311835954 0.89294867773797 78.960 > 79 81 Se 0.24856686093554 0.23025508703635 0.71718149336241 78.960 > 81 82 Se 0.74856686093554 0.23025508703635 0.71718149336241 78.960 > 81 83 Se 0.49856686093554 0.23025508703635 0.78281850663759 78.960 > 83 84 Se 0.99856686093554 0.23025508703635 0.78281850663759 78.960 > 83 85 Se 0.04444410118135 0.02512127193012 0.37625914359732 78.960 > 85 86 Se 0.54444410118135 0.02512127193012 0.37625914359732 78.960 > 85 87 Se 0.20555589881865 0.97487872806988 0.87625914359732 78.960 > 87 88 Se 0.70555589881865 0.97487872806988 0.87625914359732 78.960 > 87 89 Se 0.46591763581132 0.42595311835954 0.60705132226203 78.960 > 89 90 Se 0.96591763581132 0.42595311835954 0.60705132226203 78.960 > 89 91 Se 0.04444410118135 0.47487872806988 0.87625914359732 78.960 > 91 92 Se 0.54444410118135 0.47487872806988 0.87625914359732 78.960 > 91 93 Se 0.28408236418868 0.57404688164046 0.10705132226203 78.960 > 93 94 Se 0.78408236418868 0.57404688164046 0.10705132226203 78.960 > 93 95 Se 0.36603048134626 0.45671552608048 0.35414577836361 78.960 > 95 96 Se 0.86603048134626 0.45671552608048 0.35414577836361 78.960 > 95 97 Se 0.11603048134626 0.45671552608048 0.14585422163639 78.960 > 97 98 Se 0.61603048134626 0.45671552608048 0.14585422163639 78.960 > 97 99 Se 0.21591763581132 0.42595311835954 0.89294867773797 78.960 > 99 100 Se 0.71591763581132 0.42595311835954 0.89294867773797 78.960 > 99 101 Se 0.11603048134626 0.04328447391952 0.64585422163639 78.960 > 101 102 Se 0.61603048134626 0.04328447391952 0.64585422163639 78.960 > 101 103 Se 0.37920700320917 0.71526294764770 0.51140511954995 78.960 > 103 104 Se 0.87920700320917 0.71526294764770 0.51140511954995 78.960 > 103 105 Se 0.37079299679083 0.21526294764770 0.51140511954995 78.960 > 105 106 Se 0.87079299679083 0.21526294764770 0.51140511954995 78.960 > 105 107 Se 0.38396951865374 0.54328447391952 0.85414577836361 78.960 > 107 108 Se 0.88396951865374 0.54328447391952 0.85414577836361 78.960 > 107 109 Se 0.12920700320917 0.78473705235230 0.48859488045005 78.960 > 109 110 Se 0.62920700320917 0.78473705235230 0.48859488045005 78.960 > 109 111 Se 0.13396951865374 0.54328447391952 0.64585422163639 78.960 > 111 112 Se 0.63396951865374 0.54328447391952 0.64585422163639 78.960 > 111 113 Se 0.00143313906446 0.73025508703635 0.71718149336241 78.960 > 113 114 Se 0.50143313906446 0.73025508703635 0.71718149336241 78.960 > 113 115 Se 0.13396951865374 0.95671552608048 0.14585422163639 78.960 > 115 116 Se 0.63396951865374 0.95671552608048 0.14585422163639 78.960 > 115 117 Se 0.45555589881865 0.52512127193012 0.12374085640268 78.960 > 117 118 Se 0.95555589881865 0.52512127193012 0.12374085640268 78.960 > 117 119 Se 0.25143313906446 0.73025508703635 0.78281850663759 78.960 > 119 120 Se 0.75143313906446 0.73025508703635 0.78281850663759 78.960 > 119 121 Se 0.21591763581132 0.07404688164046 0.39294867773797 78.960 > 121 122 Se 0.71591763581132 0.07404688164046 0.39294867773797 78.960 > 121 123 Se 0.29444410118135 0.02512127193012 0.12374085640268 78.960 > 123 124 Se 0.79444410118135 0.02512127193012 0.12374085640268 78.960 > 123 125 Se 0.37920700320917 0.78473705235230 0.01140511954995 78.960 > 125 126 Se 0.87920700320917 0.78473705235230 0.01140511954995 78.960 > 125 127 Se 0.38396951865374 0.95671552608048 0.35414577836361 78.960 > 127 128 Se 0.88396951865374 0.95671552608048 0.35414577836361 78.960 > 127 129 Se 0.12079299679083 0.28473705235230 0.48859488045005 78.960 > 129 130 Se 0.62079299679083 0.28473705235230 0.48859488045005 78.960 > 129 131 Se 0.29444410118135 0.47487872806988 0.62374085640268 78.960 > 131 132 Se 0.79444410118135 0.47487872806988 0.62374085640268 78.960 > 131 133 Se 0.49856686093554 0.26974491296365 0.28281850663759 78.960 > 133 134 Se 0.99856686093554 0.26974491296365 0.28281850663759 78.960 > 133 135 Se 0.00143313906446 0.76974491296365 0.21718149336241 78.960 > 135 136 Se 0.50143313906446 0.76974491296365 0.21718149336241 78.960 > 135 137 Se 0.37079299679083 0.28473705235230 0.01140511954995 78.960 > 137 138 Se 0.87079299679083 0.28473705235230 0.01140511954995 78.960 > 137 139 Se 0.28408236418868 0.92595311835954 0.60705132226203 78.960 > 139 140 Se 0.78408236418868 0.92595311835954 0.60705132226203 78.960 > 139 141 Se 0.45555589881865 0.97487872806988 0.62374085640268 78.960 > 141 142 Se 0.95555589881865 0.97487872806988 0.62374085640268 78.960 > 141 143 Se 0.12920700320917 0.71526294764770 0.98859488045005 78.960 > 143 144 Se 0.62920700320917 0.71526294764770 0.98859488045005 78.960 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.1317167 0.0000000 0.0000000 0.0000000 7.6639115 0.0000000 0.0000000 0.0000000 7.1941485 -------------------------- Born effective charges -------------------------- 1 Ba 2.6852162 -0.1886758 0.0049089 0.0554857 2.7770091 -0.1331623 -0.0686748 0.0223581 2.6068100 2 Ba 2.8748531 -0.1410183 0.2924350 0.2727651 2.7243457 0.0716788 0.6032412 -0.1109610 2.7230852 3 Ba 2.6852162 -0.1886758 0.0049089 0.0554857 2.7770091 -0.1331623 -0.0686748 0.0223581 2.6068100 4 Ba 2.8748531 0.1410183 0.2924350 -0.2727651 2.7243457 -0.0716788 0.6032412 0.1109610 2.7230852 5 Ba 2.8748531 -0.1410183 -0.2924350 0.2727651 2.7243457 -0.0716788 -0.6032412 0.1109610 2.7230852 6 Ba 2.8748531 0.1410183 -0.2924350 -0.2727651 2.7243457 0.0716788 -0.6032412 -0.1109610 2.7230852 7 Ba 2.6852162 -0.1886758 -0.0049089 0.0554857 2.7770091 0.1331623 0.0686748 -0.0223581 2.6068100 8 Ba 2.6852162 0.1886758 0.0049089 -0.0554857 2.7770091 0.1331623 -0.0686748 -0.0223581 2.6068100 9 Ba 2.6852162 0.1886758 -0.0049089 -0.0554857 2.7770091 -0.1331623 0.0686748 0.0223581 2.6068100 10 Ba 2.6852162 -0.1886758 -0.0049089 0.0554857 2.7770091 0.1331623 0.0686748 -0.0223581 2.6068100 11 Ba 2.8748531 -0.1410183 0.2924350 0.2727651 2.7243457 0.0716788 0.6032412 -0.1109610 2.7230852 12 Ba 2.8748531 -0.1410183 -0.2924350 0.2727651 2.7243457 -0.0716788 -0.6032412 0.1109610 2.7230852 13 Ba 2.8748531 0.1410183 -0.2924350 -0.2727651 2.7243457 0.0716788 -0.6032412 -0.1109610 2.7230852 14 Ba 2.6852162 0.1886758 0.0049089 -0.0554857 2.7770091 0.1331623 -0.0686748 -0.0223581 2.6068100 15 Ba 2.6852162 0.1886758 -0.0049089 -0.0554857 2.7770091 -0.1331623 0.0686748 0.0223581 2.6068100 16 Ba 2.8748531 0.1410183 0.2924350 -0.2727651 2.7243457 -0.0716788 0.6032412 0.1109610 2.7230852 17 In 2.8252458 0.1947406 -0.4779742 -0.1272192 2.5796274 0.0139788 0.6042424 -0.0366427 2.8772201 18 In 2.8252458 0.1947406 -0.4779742 -0.1272192 2.5796274 0.0139788 0.6042424 -0.0366427 2.8772201 19 In 2.8211253 0.4060591 -0.3719879 0.0051474 2.5028127 -0.0967994 -0.0718053 0.1897925 2.6241074 20 In 2.8211253 -0.4060591 -0.3719879 -0.0051474 2.5028127 0.0967994 -0.0718053 -0.1897925 2.6241074 21 In 2.8252458 0.1947406 0.4779742 -0.1272192 2.5796274 -0.0139788 -0.6042424 0.0366427 2.8772201 22 In 2.8211253 0.4060591 0.3719879 0.0051474 2.5028127 0.0967994 0.0718053 -0.1897925 2.6241074 23 In 2.8252458 -0.1947406 0.4779742 0.1272192 2.5796274 0.0139788 -0.6042424 -0.0366427 2.8772201 24 In 2.8211253 0.4060591 0.3719879 0.0051474 2.5028127 0.0967994 0.0718053 -0.1897925 2.6241074 25 In 2.8252458 -0.1947406 -0.4779742 0.1272192 2.5796274 -0.0139788 0.6042424 0.0366427 2.8772201 26 In 2.8211253 0.4060591 -0.3719879 0.0051474 2.5028127 -0.0967994 -0.0718053 0.1897925 2.6241074 27 In 2.8252458 -0.1947406 0.4779742 0.1272192 2.5796274 0.0139788 -0.6042424 -0.0366427 2.8772201 28 In 2.8252458 -0.1947406 -0.4779742 0.1272192 2.5796274 -0.0139788 0.6042424 0.0366427 2.8772201 29 In 2.8211253 -0.4060591 -0.3719879 -0.0051474 2.5028127 0.0967994 -0.0718053 -0.1897925 2.6241074 30 In 2.8252458 0.1947406 0.4779742 -0.1272192 2.5796274 -0.0139788 -0.6042424 0.0366427 2.8772201 31 In 2.8211253 -0.4060591 0.3719879 -0.0051474 2.5028127 -0.0967994 0.0718053 0.1897925 2.6241074 32 In 2.8211253 -0.4060591 0.3719879 -0.0051474 2.5028127 -0.0967994 0.0718053 0.1897925 2.6241074 33 Se -2.0939512 0.1418636 -0.1974075 0.2640878 -2.1540401 0.0788607 -0.3839419 -0.0126017 -2.0324068 34 Se -2.5672913 -0.0088475 -0.3428412 -0.0012219 -2.0945378 -0.2480780 -0.4108957 -0.2052335 -1.6400353 35 Se -2.2553325 0.0374805 0.3696130 -0.0844694 -2.0147089 -0.2350576 0.2624612 -0.3099414 -2.7594606 36 Se -2.5672913 0.0088475 -0.3428412 0.0012219 -2.0945378 0.2480780 -0.4108957 0.2052335 -1.6400353 37 Se -2.0939512 -0.1418636 -0.1974075 -0.2640878 -2.1540401 -0.0788607 -0.3839419 0.0126017 -2.0324068 38 Se -2.1697239 0.1090881 0.2380566 0.0464379 -2.2827607 0.1374945 0.1162883 0.2016344 -1.9305032 39 Se -2.1201415 0.0340421 0.3226101 -0.0021557 -2.0377475 0.2114543 0.6329575 0.2134882 -2.4688167 40 Se -2.5672913 0.0088475 -0.3428412 0.0012219 -2.0945378 0.2480780 -0.4108957 0.2052335 -1.6400353 41 Se -2.0939512 -0.1418636 -0.1974075 -0.2640878 -2.1540401 -0.0788607 -0.3839419 0.0126017 -2.0324068 42 Se -2.0939512 -0.1418636 0.1974075 -0.2640878 -2.1540401 0.0788607 0.3839419 -0.0126017 -2.0324068 43 Se -2.2553325 -0.0374805 -0.3696130 0.0844694 -2.0147089 -0.2350576 -0.2624612 -0.3099414 -2.7594606 44 Se -2.2553325 -0.0374805 0.3696130 0.0844694 -2.0147089 0.2350576 0.2624612 0.3099414 -2.7594606 45 Se -2.5672913 -0.0088475 -0.3428412 -0.0012219 -2.0945378 -0.2480780 -0.4108957 -0.2052335 -1.6400353 46 Se -2.2553325 0.0374805 -0.3696130 -0.0844694 -2.0147089 0.2350576 -0.2624612 0.3099414 -2.7594606 47 Se -2.5672913 -0.0088475 0.3428412 -0.0012219 -2.0945378 0.2480780 0.4108957 0.2052335 -1.6400353 48 Se -2.1201415 -0.0340421 0.3226101 0.0021557 -2.0377475 -0.2114543 0.6329575 -0.2134882 -2.4688167 49 Se -2.1201415 -0.0340421 -0.3226101 0.0021557 -2.0377475 0.2114543 -0.6329575 0.2134882 -2.4688167 50 Se -2.5672913 -0.0088475 0.3428412 -0.0012219 -2.0945378 0.2480780 0.4108957 0.2052335 -1.6400353 51 Se -2.1201415 0.0340421 -0.3226101 -0.0021557 -2.0377475 -0.2114543 -0.6329575 -0.2134882 -2.4688167 52 Se -2.1697239 -0.1090881 0.2380566 -0.0464379 -2.2827607 -0.1374945 0.1162883 -0.2016344 -1.9305032 53 Se -2.1697239 0.1090881 -0.2380566 0.0464379 -2.2827607 -0.1374945 -0.1162883 -0.2016344 -1.9305032 54 Se -2.1201415 -0.0340421 -0.3226101 0.0021557 -2.0377475 0.2114543 -0.6329575 0.2134882 -2.4688167 55 Se -2.1697239 0.1090881 -0.2380566 0.0464379 -2.2827607 -0.1374945 -0.1162883 -0.2016344 -1.9305032 56 Se -2.1201415 -0.0340421 0.3226101 0.0021557 -2.0377475 -0.2114543 0.6329575 -0.2134882 -2.4688167 57 Se -2.0939512 0.1418636 0.1974075 0.2640878 -2.1540401 -0.0788607 0.3839419 0.0126017 -2.0324068 58 Se -2.1201415 0.0340421 0.3226101 -0.0021557 -2.0377475 0.2114543 0.6329575 0.2134882 -2.4688167 59 Se -2.2553325 0.0374805 -0.3696130 -0.0844694 -2.0147089 0.2350576 -0.2624612 0.3099414 -2.7594606 60 Se -2.0939512 0.1418636 -0.1974075 0.2640878 -2.1540401 0.0788607 -0.3839419 -0.0126017 -2.0324068 61 Se -2.5672913 0.0088475 0.3428412 0.0012219 -2.0945378 -0.2480780 0.4108957 -0.2052335 -1.6400353 62 Se -2.2553325 -0.0374805 0.3696130 0.0844694 -2.0147089 0.2350576 0.2624612 0.3099414 -2.7594606 63 Se -2.1697239 0.1090881 0.2380566 0.0464379 -2.2827607 0.1374945 0.1162883 0.2016344 -1.9305032 64 Se -2.1201415 0.0340421 -0.3226101 -0.0021557 -2.0377475 -0.2114543 -0.6329575 -0.2134882 -2.4688167 65 Se -2.1697239 -0.1090881 0.2380566 -0.0464379 -2.2827607 -0.1374945 0.1162883 -0.2016344 -1.9305032 66 Se -2.2553325 0.0374805 0.3696130 -0.0844694 -2.0147089 -0.2350576 0.2624612 -0.3099414 -2.7594606 67 Se -2.0939512 0.1418636 0.1974075 0.2640878 -2.1540401 -0.0788607 0.3839419 0.0126017 -2.0324068 68 Se -2.0939512 -0.1418636 0.1974075 -0.2640878 -2.1540401 0.0788607 0.3839419 -0.0126017 -2.0324068 69 Se -2.1697239 -0.1090881 -0.2380566 -0.0464379 -2.2827607 0.1374945 -0.1162883 0.2016344 -1.9305032 70 Se -2.5672913 0.0088475 0.3428412 0.0012219 -2.0945378 -0.2480780 0.4108957 -0.2052335 -1.6400353 71 Se -2.2553325 -0.0374805 -0.3696130 0.0844694 -2.0147089 -0.2350576 -0.2624612 -0.3099414 -2.7594606 72 Se -2.1697239 -0.1090881 -0.2380566 -0.0464379 -2.2827607 0.1374945 -0.1162883 0.2016344 -1.9305032 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) 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 ... [ 4 4 4 ] 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: 0.32, Number of G-points: 299, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/27) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.920 ( 0.000 0.000 0.000) 0.000 0.964 ( 0.000 0.000 0.000) 0.000 1.047 ( 0.000 0.000 0.000) 0.000 1.063 ( 0.000 0.000 0.000) 0.000 1.077 ( 0.000 0.000 0.000) 0.000 1.084 ( 0.000 0.000 0.000) 0.000 1.091 ( 0.000 0.000 0.000) 0.000 1.123 ( 0.000 0.000 0.000) 0.000 1.167 ( 0.000 0.000 0.000) 0.000 1.176 ( 0.000 0.000 0.000) 0.000 1.184 ( 0.000 0.000 0.000) 0.000 1.209 ( 0.000 0.000 0.000) 0.000 1.223 ( 0.000 0.000 0.000) 0.000 1.226 ( 0.000 0.000 0.000) 0.000 1.246 ( 0.000 0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.300 ( 0.000 0.000 0.000) 0.000 1.315 ( 0.000 0.000 0.000) 0.000 1.351 ( 0.000 0.000 0.000) 0.000 1.369 ( 0.000 0.000 0.000) 0.000 1.397 ( 0.000 0.000 0.000) 0.000 1.402 ( 0.000 0.000 0.000) 0.000 1.429 ( 0.000 0.000 0.000) 0.000 1.435 ( 0.000 0.000 0.000) 0.000 1.462 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.528 ( 0.000 0.000 0.000) 0.000 1.566 ( 0.000 0.000 0.000) 0.000 1.566 ( 0.000 0.000 0.000) 0.000 1.576 ( 0.000 0.000 0.000) 0.000 1.578 ( 0.000 0.000 0.000) 0.000 1.586 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.654 ( 0.000 0.000 0.000) 0.000 1.660 ( 0.000 0.000 0.000) 0.000 1.671 ( 0.000 0.000 0.000) 0.000 1.709 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.728 ( 0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 0.000) 0.000 1.744 ( 0.000 0.000 0.000) 0.000 1.776 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.830 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.849 ( 0.000 0.000 0.000) 0.000 1.890 ( 0.000 0.000 0.000) 0.000 1.893 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 1.912 ( 0.000 0.000 0.000) 0.000 1.913 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 1.977 ( 0.000 0.000 0.000) 0.000 1.983 ( 0.000 0.000 0.000) 0.000 1.984 ( 0.000 0.000 0.000) 0.000 2.007 ( 0.000 0.000 0.000) 0.000 2.011 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.094 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.175 ( 0.000 0.000 0.000) 0.000 2.190 ( 0.000 0.000 0.000) 0.000 2.192 ( 0.000 0.000 0.000) 0.000 2.258 ( 0.000 0.000 0.000) 0.000 2.270 ( 0.000 0.000 0.000) 0.000 2.272 ( 0.000 0.000 0.000) 0.000 2.288 ( 0.000 0.000 0.000) 0.000 2.328 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.342 ( 0.000 0.000 0.000) 0.000 2.345 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.382 ( 0.000 0.000 0.000) 0.000 2.416 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.448 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.531 ( 0.000 0.000 0.000) 0.000 2.546 ( 0.000 0.000 0.000) 0.000 2.557 ( 0.000 0.000 0.000) 0.000 2.662 ( 0.000 0.000 0.000) 0.000 2.674 ( 0.000 0.000 0.000) 0.000 2.688 ( 0.000 0.000 0.000) 0.000 2.697 ( 0.000 0.000 0.000) 0.000 2.719 ( 0.000 0.000 0.000) 0.000 2.750 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.799 ( 0.000 0.000 0.000) 0.000 2.809 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.877 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.924 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 2.993 ( 0.000 0.000 0.000) 0.000 2.997 ( 0.000 0.000 0.000) 0.000 3.004 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 0.000) 0.000 3.050 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.089 ( 0.000 0.000 0.000) 0.000 3.092 ( 0.000 0.000 0.000) 0.000 3.116 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.180 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.237 ( 0.000 0.000 0.000) 0.000 3.271 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.298 ( 0.000 0.000 0.000) 0.000 3.305 ( 0.000 0.000 0.000) 0.000 3.312 ( 0.000 0.000 0.000) 0.000 3.318 ( 0.000 0.000 0.000) 0.000 3.345 ( 0.000 0.000 0.000) 0.000 3.352 ( 0.000 0.000 0.000) 0.000 3.419 ( 0.000 0.000 0.000) 0.000 3.438 ( 0.000 0.000 0.000) 0.000 3.496 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.567 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.639 ( 0.000 0.000 0.000) 0.000 3.649 ( 0.000 0.000 0.000) 0.000 3.691 ( 0.000 0.000 0.000) 0.000 3.712 ( 0.000 0.000 0.000) 0.000 3.718 ( 0.000 0.000 0.000) 0.000 3.881 ( 0.000 0.000 0.000) 0.000 3.884 ( 0.000 0.000 0.000) 0.000 3.918 ( 0.000 0.000 0.000) 0.000 3.929 ( 0.000 0.000 0.000) 0.000 4.039 ( 0.000 0.000 0.000) 0.000 4.085 ( 0.000 0.000 0.000) 0.000 4.098 ( 0.000 0.000 0.000) 0.000 4.126 ( 0.000 0.000 0.000) 0.000 4.273 ( 0.000 0.000 0.000) 0.000 4.276 ( 0.000 0.000 0.000) 0.000 4.277 ( 0.000 0.000 0.000) 0.000 4.313 ( 0.000 0.000 0.000) 0.000 4.915 ( 0.000 0.000 0.000) 0.000 4.921 ( 0.000 0.000 0.000) 0.000 4.967 ( 0.000 0.000 0.000) 0.000 4.969 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 4.987 ( 0.000 0.000 0.000) 0.000 5.018 ( 0.000 0.000 0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.085 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.112 ( 0.000 0.000 0.000) 0.000 5.113 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.206 ( 0.000 0.000 0.000) 0.000 5.210 ( 0.000 0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.383 ( 0.000 0.000 0.000) 0.000 5.394 ( 0.000 0.000 0.000) 0.000 5.411 ( 0.000 0.000 0.000) 0.000 5.422 ( 0.000 0.000 0.000) 0.000 5.486 ( 0.000 0.000 0.000) 0.000 5.556 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.580 ( 0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 5.638 ( 0.000 0.000 0.000) 0.000 5.773 ( 0.000 0.000 0.000) 0.000 5.777 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 5.859 ( 0.000 0.000 0.000) 0.000 5.882 ( 0.000 0.000 0.000) 0.000 5.898 ( 0.000 0.000 0.000) 0.000 5.903 ( 0.000 0.000 0.000) 0.000 5.968 ( 0.000 0.000 0.000) 0.000 5.981 ( 0.000 0.000 0.000) 0.000 6.042 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.081 ( 0.000 0.000 0.000) 0.000 6.085 ( 0.000 0.000 0.000) 0.000 6.129 ( 0.000 0.000 0.000) 0.000 6.154 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.165 ( 0.000 0.000 0.000) 0.000 6.664 ( 0.000 0.000 0.000) 0.000 6.666 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 6.681 ( 0.000 0.000 0.000) 0.000 6.684 ( 0.000 0.000 0.000) 0.000 6.714 ( 0.000 0.000 0.000) 0.000 6.774 ( 0.000 0.000 0.000) 0.000 6.776 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.815 ( 0.000 0.000 0.000) 0.000 6.826 ( 0.000 0.000 0.000) 0.000 6.874 ( 0.000 0.000 0.000) 0.000 6.886 ( 0.000 0.000 0.000) 0.000 7.061 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/27) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.327 ( 15.705 0.000 0.000) 15.705 0.382 ( 18.109 0.000 0.000) 18.109 0.559 ( 24.700 0.000 0.000) 24.700 0.923 ( -12.774 0.000 0.000) 12.774 0.957 ( 1.392 0.000 0.000) 1.392 1.019 ( 1.718 0.000 0.000) 1.718 1.042 ( 1.458 0.000 0.000) 1.458 1.049 ( -4.245 0.000 0.000) 4.245 1.056 ( 0.151 0.000 0.000) 0.151 1.062 ( -9.105 0.000 0.000) 9.105 1.131 ( 1.149 0.000 0.000) 1.149 1.133 ( 1.014 0.000 0.000) 1.014 1.185 ( 2.367 0.000 0.000) 2.367 1.207 ( 2.942 0.000 0.000) 2.942 1.210 ( 6.740 0.000 0.000) 6.740 1.211 ( 0.165 0.000 0.000) 0.165 1.231 ( -0.145 0.000 0.000) 0.145 1.233 ( -0.199 0.000 0.000) 0.199 1.310 ( 1.199 0.000 0.000) 1.199 1.316 ( -1.120 0.000 0.000) 1.120 1.321 ( 1.092 0.000 0.000) 1.092 1.365 ( 5.487 0.000 0.000) 5.487 1.368 ( -0.705 0.000 0.000) 0.705 1.389 ( -3.501 0.000 0.000) 3.501 1.400 ( 4.900 0.000 0.000) 4.900 1.448 ( 1.448 0.000 0.000) 1.448 1.453 ( 0.136 0.000 0.000) 0.136 1.456 ( 7.032 0.000 0.000) 7.032 1.489 ( -4.275 0.000 0.000) 4.275 1.496 ( -1.935 0.000 0.000) 1.935 1.497 ( -3.089 0.000 0.000) 3.089 1.538 ( -2.239 0.000 0.000) 2.239 1.560 ( 5.421 0.000 0.000) 5.421 1.573 ( -0.264 0.000 0.000) 0.264 1.610 ( -0.096 0.000 0.000) 0.096 1.610 ( 2.532 0.000 0.000) 2.532 1.640 ( -0.609 0.000 0.000) 0.609 1.650 ( 2.651 0.000 0.000) 2.651 1.657 ( -5.051 0.000 0.000) 5.051 1.668 ( 1.398 0.000 0.000) 1.398 1.691 ( 1.478 0.000 0.000) 1.478 1.702 ( 3.104 0.000 0.000) 3.104 1.739 ( 2.586 0.000 0.000) 2.586 1.773 ( 1.467 0.000 0.000) 1.467 1.774 ( 2.072 0.000 0.000) 2.072 1.782 ( -0.647 0.000 0.000) 0.647 1.812 ( -1.548 0.000 0.000) 1.548 1.822 ( 0.412 0.000 0.000) 0.412 1.832 ( 2.234 0.000 0.000) 2.234 1.840 ( 0.113 0.000 0.000) 0.113 1.850 ( 1.101 0.000 0.000) 1.101 1.852 ( -0.571 0.000 0.000) 0.571 1.857 ( -2.585 0.000 0.000) 2.585 1.895 ( -0.079 0.000 0.000) 0.079 1.912 ( 0.167 0.000 0.000) 0.167 1.935 ( 2.524 0.000 0.000) 2.524 1.979 ( -4.787 0.000 0.000) 4.787 1.986 ( -0.321 0.000 0.000) 0.321 1.995 ( 4.778 0.000 0.000) 4.778 2.006 ( 1.218 0.000 0.000) 1.218 2.028 ( 0.582 0.000 0.000) 0.582 2.035 ( 4.620 0.000 0.000) 4.620 2.047 ( -0.995 0.000 0.000) 0.995 2.071 ( -0.726 0.000 0.000) 0.726 2.101 ( -1.897 0.000 0.000) 1.897 2.127 ( -2.617 0.000 0.000) 2.617 2.148 ( 4.452 0.000 0.000) 4.452 2.173 ( -6.579 0.000 0.000) 6.579 2.209 ( 2.541 0.000 0.000) 2.541 2.218 ( -0.577 0.000 0.000) 0.577 2.254 ( -2.381 0.000 0.000) 2.381 2.268 ( -1.134 0.000 0.000) 1.134 2.289 ( 0.227 0.000 0.000) 0.227 2.293 ( 3.774 0.000 0.000) 3.774 2.338 ( -1.202 0.000 0.000) 1.202 2.341 ( -1.121 0.000 0.000) 1.121 2.342 ( -1.162 0.000 0.000) 1.162 2.384 ( 0.269 0.000 0.000) 0.269 2.411 ( -4.700 0.000 0.000) 4.700 2.423 ( 4.772 0.000 0.000) 4.772 2.428 ( 4.368 0.000 0.000) 4.368 2.445 ( 4.517 0.000 0.000) 4.517 2.448 ( -0.315 0.000 0.000) 0.315 2.484 ( 1.748 0.000 0.000) 1.748 2.502 ( 4.272 0.000 0.000) 4.272 2.515 ( 1.542 0.000 0.000) 1.542 2.546 ( -4.321 0.000 0.000) 4.321 2.549 ( 1.537 0.000 0.000) 1.537 2.568 ( -0.149 0.000 0.000) 0.149 2.645 ( -4.390 0.000 0.000) 4.390 2.654 ( -5.318 0.000 0.000) 5.318 2.660 ( -0.486 0.000 0.000) 0.486 2.668 ( 1.146 0.000 0.000) 1.146 2.724 ( -2.922 0.000 0.000) 2.922 2.750 ( 5.277 0.000 0.000) 5.277 2.752 ( 1.091 0.000 0.000) 1.091 2.762 ( -5.619 0.000 0.000) 5.619 2.785 ( 0.043 0.000 0.000) 0.043 2.803 ( -1.505 0.000 0.000) 1.505 2.848 ( -2.382 0.000 0.000) 2.382 2.854 ( -1.036 0.000 0.000) 1.036 2.871 ( -0.201 0.000 0.000) 0.201 2.921 ( -0.584 0.000 0.000) 0.584 2.932 ( -5.141 0.000 0.000) 5.141 2.965 ( -2.815 0.000 0.000) 2.815 2.985 ( -1.246 0.000 0.000) 1.246 2.986 ( -6.917 0.000 0.000) 6.917 2.988 ( 3.541 0.000 0.000) 3.541 3.001 ( 0.597 0.000 0.000) 0.597 3.015 ( -3.978 0.000 0.000) 3.978 3.056 ( 0.733 0.000 0.000) 0.733 3.082 ( -1.267 0.000 0.000) 1.267 3.082 ( 2.474 0.000 0.000) 2.474 3.111 ( -0.626 0.000 0.000) 0.626 3.146 ( -2.306 0.000 0.000) 2.306 3.149 ( -1.632 0.000 0.000) 1.632 3.158 ( -0.292 0.000 0.000) 0.292 3.182 ( 0.406 0.000 0.000) 0.406 3.219 ( -3.703 0.000 0.000) 3.703 3.220 ( -1.670 0.000 0.000) 1.670 3.226 ( -2.296 0.000 0.000) 2.296 3.255 ( -0.188 0.000 0.000) 0.188 3.265 ( -0.488 0.000 0.000) 0.488 3.275 ( -0.912 0.000 0.000) 0.912 3.298 ( -2.711 0.000 0.000) 2.711 3.300 ( -1.122 0.000 0.000) 1.122 3.309 ( -0.931 0.000 0.000) 0.931 3.343 ( -0.095 0.000 0.000) 0.095 3.357 ( -0.692 0.000 0.000) 0.692 3.366 ( -0.888 0.000 0.000) 0.888 3.404 ( -6.632 0.000 0.000) 6.632 3.423 ( -1.807 0.000 0.000) 1.807 3.455 ( -3.875 0.000 0.000) 3.875 3.565 ( -6.093 0.000 0.000) 6.093 3.577 ( 0.750 0.000 0.000) 0.750 3.590 ( 0.472 0.000 0.000) 0.472 3.706 ( 6.128 0.000 0.000) 6.128 3.739 ( 4.912 0.000 0.000) 4.912 3.773 ( 4.448 0.000 0.000) 4.448 3.802 ( 5.785 0.000 0.000) 5.785 3.885 ( -0.478 0.000 0.000) 0.478 3.897 ( -1.217 0.000 0.000) 1.217 3.941 ( -0.316 0.000 0.000) 0.316 3.987 ( -4.790 0.000 0.000) 4.790 4.111 ( 5.927 0.000 0.000) 5.927 4.126 ( 3.761 0.000 0.000) 3.761 4.181 ( 6.074 0.000 0.000) 6.074 4.227 ( 7.708 0.000 0.000) 7.708 4.256 ( -1.618 0.000 0.000) 1.618 4.296 ( -1.817 0.000 0.000) 1.817 4.301 ( 1.227 0.000 0.000) 1.227 4.489 ( -3.881 0.000 0.000) 3.881 4.925 ( 0.922 0.000 0.000) 0.922 4.930 ( 0.812 0.000 0.000) 0.812 4.963 ( -0.427 0.000 0.000) 0.427 4.964 ( -0.232 0.000 0.000) 0.232 4.976 ( -0.945 0.000 0.000) 0.945 4.984 ( 0.877 0.000 0.000) 0.877 4.993 ( -1.652 0.000 0.000) 1.652 5.038 ( -1.753 0.000 0.000) 1.753 5.105 ( 1.148 0.000 0.000) 1.148 5.105 ( 0.924 0.000 0.000) 0.924 5.112 ( 0.061 0.000 0.000) 0.061 5.123 ( 1.200 0.000 0.000) 1.200 5.142 ( 1.943 0.000 0.000) 1.943 5.150 ( 1.167 0.000 0.000) 1.167 5.210 ( -0.397 0.000 0.000) 0.397 5.215 ( -1.910 0.000 0.000) 1.910 5.319 ( 1.041 0.000 0.000) 1.041 5.343 ( 0.891 0.000 0.000) 0.891 5.374 ( -0.831 0.000 0.000) 0.831 5.397 ( -2.102 0.000 0.000) 2.102 5.446 ( 2.257 0.000 0.000) 2.257 5.468 ( 1.625 0.000 0.000) 1.625 5.498 ( 1.331 0.000 0.000) 1.331 5.535 ( -1.726 0.000 0.000) 1.726 5.553 ( -2.118 0.000 0.000) 2.118 5.566 ( 0.561 0.000 0.000) 0.561 5.587 ( -0.839 0.000 0.000) 0.839 5.588 ( -1.260 0.000 0.000) 1.260 5.691 ( 4.701 0.000 0.000) 4.701 5.725 ( 0.629 0.000 0.000) 0.629 5.765 ( -0.834 0.000 0.000) 0.834 5.803 ( -3.988 0.000 0.000) 3.988 5.816 ( -0.936 0.000 0.000) 0.936 5.854 ( 0.496 0.000 0.000) 0.496 5.872 ( -0.333 0.000 0.000) 0.333 5.887 ( -0.077 0.000 0.000) 0.077 5.905 ( -2.737 0.000 0.000) 2.737 5.922 ( 0.687 0.000 0.000) 0.687 5.938 ( -0.702 0.000 0.000) 0.702 5.976 ( -3.190 0.000 0.000) 3.190 6.054 ( 0.910 0.000 0.000) 0.910 6.086 ( 1.491 0.000 0.000) 1.491 6.093 ( 1.185 0.000 0.000) 1.185 6.094 ( -1.764 0.000 0.000) 1.764 6.129 ( 3.571 0.000 0.000) 3.571 6.174 ( 2.291 0.000 0.000) 2.291 6.286 ( 6.462 0.000 0.000) 6.462 6.503 ( -3.299 0.000 0.000) 3.299 6.663 ( -0.136 0.000 0.000) 0.136 6.664 ( -0.008 0.000 0.000) 0.008 6.682 ( 0.057 0.000 0.000) 0.057 6.686 ( -0.158 0.000 0.000) 0.158 6.697 ( 1.083 0.000 0.000) 1.083 6.718 ( 0.409 0.000 0.000) 0.409 6.759 ( -1.495 0.000 0.000) 1.495 6.766 ( -1.312 0.000 0.000) 1.312 6.794 ( -0.641 0.000 0.000) 0.641 6.803 ( 0.169 0.000 0.000) 0.169 6.803 ( -0.306 0.000 0.000) 0.306 6.823 ( -0.329 0.000 0.000) 0.329 6.915 ( 3.198 0.000 0.000) 3.198 6.929 ( 3.224 0.000 0.000) 3.224 7.041 ( -1.966 0.000 0.000) 1.966 7.066 ( -2.583 0.000 0.000) 2.583 ======================= Grid point 2 (3/27) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( -14.669 0.000 0.000) 14.669 0.637 ( 14.669 0.000 0.000) 14.669 0.721 ( -13.802 0.000 0.000) 13.802 0.721 ( 13.802 0.000 0.000) 13.802 0.944 ( -6.310 0.000 0.000) 6.310 0.944 ( 6.310 0.000 0.000) 6.310 1.044 ( -0.759 0.000 0.000) 0.759 1.044 ( 0.759 0.000 0.000) 0.759 1.097 ( -2.802 0.000 0.000) 2.802 1.097 ( 2.802 0.000 0.000) 2.802 1.100 ( -6.227 0.000 0.000) 6.227 1.100 ( 6.227 0.000 0.000) 6.227 1.224 ( -0.468 0.000 0.000) 0.468 1.224 ( 0.468 0.000 0.000) 0.468 1.245 ( -2.866 0.000 0.000) 2.866 1.245 ( 2.866 0.000 0.000) 2.866 1.278 ( -1.306 0.000 0.000) 1.306 1.278 ( 1.306 0.000 0.000) 1.306 1.321 ( -0.590 0.000 0.000) 0.590 1.321 ( 0.590 0.000 0.000) 0.590 1.337 ( -0.036 0.000 0.000) 0.036 1.337 ( 0.036 0.000 0.000) 0.036 1.389 ( -4.148 0.000 0.000) 4.148 1.389 ( 4.148 0.000 0.000) 4.148 1.409 ( -2.152 0.000 0.000) 2.152 1.409 ( 2.152 0.000 0.000) 2.152 1.465 ( -0.434 0.000 0.000) 0.434 1.465 ( 0.434 0.000 0.000) 0.434 1.490 ( -4.178 0.000 0.000) 4.178 1.490 ( 4.178 0.000 0.000) 4.178 1.505 ( -3.224 0.000 0.000) 3.224 1.505 ( 3.224 0.000 0.000) 3.224 1.557 ( -2.399 0.000 0.000) 2.399 1.557 ( 2.399 0.000 0.000) 2.399 1.626 ( -1.683 0.000 0.000) 1.683 1.626 ( 1.683 0.000 0.000) 1.683 1.662 ( -1.688 0.000 0.000) 1.688 1.662 ( 1.688 0.000 0.000) 1.688 1.669 ( -2.978 0.000 0.000) 2.978 1.669 ( 2.978 0.000 0.000) 2.978 1.738 ( -4.287 0.000 0.000) 4.287 1.738 ( 4.287 0.000 0.000) 4.287 1.774 ( -1.237 0.000 0.000) 1.237 1.774 ( 1.237 0.000 0.000) 1.237 1.804 ( -2.440 0.000 0.000) 2.440 1.804 ( 2.440 0.000 0.000) 2.440 1.810 ( -0.937 0.000 0.000) 0.937 1.810 ( 0.937 0.000 0.000) 0.937 1.842 ( -7.803 0.000 0.000) 7.803 1.842 ( 7.803 0.000 0.000) 7.803 1.843 ( -0.745 0.000 0.000) 0.745 1.843 ( 0.745 0.000 0.000) 0.745 1.852 ( -0.372 0.000 0.000) 0.372 1.852 ( 0.372 0.000 0.000) 0.372 1.917 ( -0.216 0.000 0.000) 0.216 1.917 ( 0.216 0.000 0.000) 0.216 1.998 ( -2.808 0.000 0.000) 2.808 1.998 ( 2.808 0.000 0.000) 2.808 2.028 ( -0.913 0.000 0.000) 0.913 2.028 ( 0.913 0.000 0.000) 0.913 2.031 ( -4.253 0.000 0.000) 4.253 2.031 ( 4.253 0.000 0.000) 4.253 2.092 ( -1.491 0.000 0.000) 1.491 2.092 ( 1.491 0.000 0.000) 1.491 2.092 ( -2.563 0.000 0.000) 2.563 2.092 ( 2.563 0.000 0.000) 2.563 2.145 ( -3.013 0.000 0.000) 3.013 2.145 ( 3.013 0.000 0.000) 3.013 2.225 ( -0.122 0.000 0.000) 0.122 2.225 ( 0.122 0.000 0.000) 0.122 2.246 ( -3.510 0.000 0.000) 3.510 2.246 ( 3.510 0.000 0.000) 3.510 2.288 ( -1.233 0.000 0.000) 1.233 2.288 ( 1.233 0.000 0.000) 1.233 2.324 ( -0.060 0.000 0.000) 0.060 2.324 ( 0.060 0.000 0.000) 0.060 2.372 ( -2.252 0.000 0.000) 2.252 2.372 ( 2.252 0.000 0.000) 2.252 2.386 ( -7.961 0.000 0.000) 7.961 2.386 ( 7.961 0.000 0.000) 7.961 2.467 ( -2.290 0.000 0.000) 2.290 2.467 ( 2.290 0.000 0.000) 2.290 2.526 ( -2.741 0.000 0.000) 2.741 2.526 ( 2.741 0.000 0.000) 2.741 2.536 ( -3.117 0.000 0.000) 3.117 2.536 ( 3.117 0.000 0.000) 3.117 2.556 ( -4.157 0.000 0.000) 4.157 2.556 ( 4.157 0.000 0.000) 4.157 2.579 ( -1.548 0.000 0.000) 1.548 2.579 ( 1.548 0.000 0.000) 1.548 2.636 ( -7.507 0.000 0.000) 7.507 2.636 ( 7.507 0.000 0.000) 7.507 2.649 ( -1.492 0.000 0.000) 1.492 2.649 ( 1.492 0.000 0.000) 1.492 2.770 ( -8.819 0.000 0.000) 8.819 2.770 ( 8.819 0.000 0.000) 8.819 2.786 ( -1.732 0.000 0.000) 1.732 2.786 ( 1.732 0.000 0.000) 1.732 2.800 ( -1.330 0.000 0.000) 1.330 2.800 ( 1.330 0.000 0.000) 1.330 2.862 ( -5.247 0.000 0.000) 5.247 2.862 ( 5.247 0.000 0.000) 5.247 2.868 ( -5.267 0.000 0.000) 5.267 2.868 ( 5.267 0.000 0.000) 5.267 2.885 ( -1.629 0.000 0.000) 1.629 2.885 ( 1.629 0.000 0.000) 1.629 2.967 ( -0.528 0.000 0.000) 0.528 2.967 ( 0.528 0.000 0.000) 0.528 3.059 ( -1.789 0.000 0.000) 1.789 3.059 ( 1.789 0.000 0.000) 1.789 3.069 ( -0.285 0.000 0.000) 0.285 3.069 ( 0.285 0.000 0.000) 0.285 3.083 ( -1.347 0.000 0.000) 1.347 3.083 ( 1.347 0.000 0.000) 1.347 3.118 ( -0.618 0.000 0.000) 0.618 3.118 ( 0.618 0.000 0.000) 0.618 3.148 ( -1.946 0.000 0.000) 1.946 3.148 ( 1.946 0.000 0.000) 1.946 3.190 ( -0.508 0.000 0.000) 0.508 3.190 ( 0.508 0.000 0.000) 0.508 3.233 ( -1.233 0.000 0.000) 1.233 3.233 ( 1.233 0.000 0.000) 1.233 3.264 ( -0.223 0.000 0.000) 0.223 3.264 ( 0.223 0.000 0.000) 0.223 3.292 ( -0.453 0.000 0.000) 0.453 3.292 ( 0.453 0.000 0.000) 0.453 3.296 ( -2.790 0.000 0.000) 2.790 3.296 ( 2.790 0.000 0.000) 2.790 3.344 ( -0.498 0.000 0.000) 0.498 3.344 ( 0.498 0.000 0.000) 0.498 3.389 ( -1.981 0.000 0.000) 1.981 3.389 ( 1.981 0.000 0.000) 1.981 3.442 ( -4.842 0.000 0.000) 4.842 3.442 ( 4.842 0.000 0.000) 4.842 3.590 ( -0.412 0.000 0.000) 0.412 3.590 ( 0.412 0.000 0.000) 0.412 3.841 ( -4.047 0.000 0.000) 4.047 3.841 ( 4.047 0.000 0.000) 4.047 3.854 ( -3.113 0.000 0.000) 3.113 3.854 ( 3.113 0.000 0.000) 3.113 3.857 ( -7.471 0.000 0.000) 7.471 3.857 ( 7.471 0.000 0.000) 7.471 3.903 ( -3.562 0.000 0.000) 3.562 3.903 ( 3.562 0.000 0.000) 3.562 4.204 ( -3.392 0.000 0.000) 3.392 4.204 ( 3.392 0.000 0.000) 3.392 4.229 ( -4.815 0.000 0.000) 4.815 4.229 ( 4.815 0.000 0.000) 4.815 4.285 ( -3.233 0.000 0.000) 3.233 4.285 ( 3.233 0.000 0.000) 3.233 4.380 ( -6.677 0.000 0.000) 6.677 4.380 ( 6.677 0.000 0.000) 6.677 4.949 ( -1.248 0.000 0.000) 1.248 4.949 ( 1.248 0.000 0.000) 1.248 4.949 ( -0.913 0.000 0.000) 0.913 4.949 ( 0.913 0.000 0.000) 0.913 4.969 ( -0.536 0.000 0.000) 0.536 4.969 ( 0.536 0.000 0.000) 0.536 5.007 ( -1.302 0.000 0.000) 1.302 5.007 ( 1.302 0.000 0.000) 1.302 5.116 ( -0.083 0.000 0.000) 0.083 5.116 ( 0.083 0.000 0.000) 0.083 5.127 ( -0.721 0.000 0.000) 0.721 5.127 ( 0.721 0.000 0.000) 0.721 5.178 ( -1.528 0.000 0.000) 1.528 5.178 ( 1.528 0.000 0.000) 1.528 5.184 ( -1.995 0.000 0.000) 1.995 5.184 ( 1.995 0.000 0.000) 1.995 5.351 ( -2.097 0.000 0.000) 2.097 5.351 ( 2.097 0.000 0.000) 2.097 5.362 ( -0.688 0.000 0.000) 0.688 5.362 ( 0.688 0.000 0.000) 0.688 5.493 ( -2.257 0.000 0.000) 2.257 5.493 ( 2.257 0.000 0.000) 2.257 5.508 ( -2.168 0.000 0.000) 2.168 5.508 ( 2.168 0.000 0.000) 2.168 5.543 ( -2.767 0.000 0.000) 2.767 5.543 ( 2.767 0.000 0.000) 2.767 5.575 ( -0.320 0.000 0.000) 0.320 5.575 ( 0.320 0.000 0.000) 0.320 5.744 ( -1.580 0.000 0.000) 1.580 5.744 ( 1.580 0.000 0.000) 1.580 5.751 ( -0.480 0.000 0.000) 0.480 5.751 ( 0.480 0.000 0.000) 0.480 5.844 ( -3.861 0.000 0.000) 3.861 5.844 ( 3.861 0.000 0.000) 3.861 5.864 ( -0.446 0.000 0.000) 0.446 5.864 ( 0.446 0.000 0.000) 0.446 5.907 ( -2.230 0.000 0.000) 2.230 5.907 ( 2.230 0.000 0.000) 2.230 5.930 ( -0.203 0.000 0.000) 0.203 5.930 ( 0.203 0.000 0.000) 0.203 6.072 ( -0.802 0.000 0.000) 0.802 6.072 ( 0.802 0.000 0.000) 0.802 6.106 ( -0.143 0.000 0.000) 0.143 6.106 ( 0.143 0.000 0.000) 0.143 6.186 ( -1.342 0.000 0.000) 1.342 6.186 ( 1.342 0.000 0.000) 1.342 6.410 ( -5.520 0.000 0.000) 5.520 6.410 ( 5.520 0.000 0.000) 5.520 6.663 ( -0.088 0.000 0.000) 0.088 6.663 ( 0.088 0.000 0.000) 0.088 6.683 ( -0.097 0.000 0.000) 0.097 6.683 ( 0.097 0.000 0.000) 0.097 6.725 ( -1.604 0.000 0.000) 1.604 6.725 ( 1.604 0.000 0.000) 1.604 6.735 ( -1.290 0.000 0.000) 1.290 6.735 ( 1.290 0.000 0.000) 1.290 6.795 ( -0.381 0.000 0.000) 0.381 6.795 ( 0.381 0.000 0.000) 0.381 6.813 ( -0.602 0.000 0.000) 0.602 6.813 ( 0.602 0.000 0.000) 0.602 6.985 ( -3.307 0.000 0.000) 3.307 6.985 ( 3.307 0.000 0.000) 3.307 7.000 ( -3.611 0.000 0.000) 3.611 7.000 ( 3.611 0.000 0.000) 3.611 ======================= Grid point 5 (4/27) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.276 ( 0.000 14.846 0.000) 14.846 0.322 ( 0.000 17.054 0.000) 17.054 0.515 ( 0.000 26.696 0.000) 26.696 0.790 ( 0.000 -10.579 0.000) 10.579 0.858 ( 0.000 -10.280 0.000) 10.280 1.026 ( 0.000 -3.068 0.000) 3.068 1.062 ( 0.000 0.993 0.000) 0.993 1.085 ( 0.000 -5.005 0.000) 5.005 1.100 ( 0.000 1.336 0.000) 1.336 1.108 ( 0.000 2.331 0.000) 2.331 1.137 ( 0.000 -0.516 0.000) 0.516 1.143 ( 0.000 3.876 0.000) 3.876 1.170 ( 0.000 -0.300 0.000) 0.300 1.194 ( 0.000 -1.461 0.000) 1.461 1.202 ( 0.000 -0.545 0.000) 0.545 1.216 ( 0.000 0.773 0.000) 0.773 1.234 ( 0.000 6.185 0.000) 6.185 1.258 ( 0.000 -0.915 0.000) 0.915 1.265 ( 0.000 -3.292 0.000) 3.292 1.283 ( 0.000 -3.763 0.000) 3.763 1.307 ( 0.000 2.448 0.000) 2.448 1.313 ( 0.000 2.153 0.000) 2.153 1.341 ( 0.000 -2.648 0.000) 2.648 1.357 ( 0.000 -0.005 0.000) 0.005 1.372 ( 0.000 -5.331 0.000) 5.331 1.394 ( 0.000 -1.275 0.000) 1.275 1.400 ( 0.000 1.216 0.000) 1.216 1.473 ( 0.000 2.703 0.000) 2.703 1.486 ( 0.000 3.395 0.000) 3.395 1.504 ( 0.000 -1.746 0.000) 1.746 1.521 ( 0.000 1.039 0.000) 1.039 1.531 ( 0.000 -1.610 0.000) 1.610 1.540 ( 0.000 -6.755 0.000) 6.755 1.561 ( 0.000 -2.486 0.000) 2.486 1.566 ( 0.000 -0.252 0.000) 0.252 1.570 ( 0.000 -5.592 0.000) 5.592 1.608 ( 0.000 -0.799 0.000) 0.799 1.626 ( 0.000 -2.308 0.000) 2.308 1.646 ( 0.000 -2.698 0.000) 2.698 1.672 ( 0.000 -1.333 0.000) 1.333 1.673 ( 0.000 -2.926 0.000) 2.926 1.691 ( 0.000 -3.405 0.000) 3.405 1.704 ( 0.000 -0.664 0.000) 0.664 1.741 ( 0.000 4.688 0.000) 4.688 1.745 ( 0.000 2.012 0.000) 2.012 1.749 ( 0.000 0.138 0.000) 0.138 1.757 ( 0.000 0.584 0.000) 0.584 1.792 ( 0.000 -3.282 0.000) 3.282 1.811 ( 0.000 0.968 0.000) 0.968 1.816 ( 0.000 -3.678 0.000) 3.678 1.882 ( 0.000 -1.808 0.000) 1.808 1.882 ( 0.000 3.371 0.000) 3.371 1.891 ( 0.000 -3.248 0.000) 3.248 1.925 ( 0.000 2.286 0.000) 2.286 1.933 ( 0.000 3.261 0.000) 3.261 1.934 ( 0.000 -1.318 0.000) 1.318 1.944 ( 0.000 -2.651 0.000) 2.651 1.950 ( 0.000 -2.385 0.000) 2.385 1.957 ( 0.000 3.242 0.000) 3.242 2.003 ( 0.000 -2.758 0.000) 2.758 2.022 ( 0.000 1.618 0.000) 1.618 2.038 ( 0.000 0.369 0.000) 0.369 2.053 ( 0.000 4.817 0.000) 4.817 2.085 ( 0.000 1.209 0.000) 1.209 2.094 ( 0.000 2.540 0.000) 2.540 2.134 ( 0.000 2.172 0.000) 2.172 2.176 ( 0.000 -1.341 0.000) 1.341 2.190 ( 0.000 1.006 0.000) 1.006 2.197 ( 0.000 -2.332 0.000) 2.332 2.253 ( 0.000 -3.486 0.000) 3.486 2.274 ( 0.000 0.462 0.000) 0.462 2.280 ( 0.000 3.897 0.000) 3.897 2.298 ( 0.000 -2.192 0.000) 2.192 2.340 ( 0.000 0.879 0.000) 0.879 2.354 ( 0.000 -0.815 0.000) 0.815 2.360 ( 0.000 -1.240 0.000) 1.240 2.364 ( 0.000 4.726 0.000) 4.726 2.387 ( 0.000 -1.188 0.000) 1.188 2.401 ( 0.000 2.225 0.000) 2.225 2.401 ( 0.000 1.930 0.000) 1.930 2.413 ( 0.000 2.514 0.000) 2.514 2.438 ( 0.000 0.610 0.000) 0.610 2.446 ( 0.000 -1.048 0.000) 1.048 2.491 ( 0.000 2.435 0.000) 2.435 2.508 ( 0.000 -2.164 0.000) 2.164 2.516 ( 0.000 4.294 0.000) 4.294 2.540 ( 0.000 -0.127 0.000) 0.127 2.548 ( 0.000 -0.137 0.000) 0.137 2.552 ( 0.000 1.326 0.000) 1.326 2.648 ( 0.000 -1.192 0.000) 1.192 2.674 ( 0.000 1.368 0.000) 1.368 2.676 ( 0.000 -0.021 0.000) 0.021 2.728 ( 0.000 -0.966 0.000) 0.966 2.729 ( 0.000 0.676 0.000) 0.676 2.748 ( 0.000 3.100 0.000) 3.100 2.768 ( 0.000 -3.163 0.000) 3.163 2.788 ( 0.000 -1.391 0.000) 1.391 2.795 ( 0.000 -1.255 0.000) 1.255 2.835 ( 0.000 1.544 0.000) 1.544 2.845 ( 0.000 -3.460 0.000) 3.460 2.882 ( 0.000 1.105 0.000) 1.105 2.885 ( 0.000 3.713 0.000) 3.713 2.928 ( 0.000 1.194 0.000) 1.194 2.947 ( 0.000 0.787 0.000) 0.787 2.991 ( 0.000 -0.455 0.000) 0.455 2.992 ( 0.000 -3.245 0.000) 3.245 3.001 ( 0.000 -0.787 0.000) 0.787 3.033 ( 0.000 -0.865 0.000) 0.865 3.052 ( 0.000 1.766 0.000) 1.766 3.089 ( 0.000 -0.942 0.000) 0.942 3.091 ( 0.000 0.071 0.000) 0.071 3.095 ( 0.000 0.175 0.000) 0.175 3.102 ( 0.000 1.864 0.000) 1.864 3.118 ( 0.000 -2.840 0.000) 2.840 3.124 ( 0.000 -0.920 0.000) 0.920 3.143 ( 0.000 -2.478 0.000) 2.478 3.186 ( 0.000 1.806 0.000) 1.806 3.219 ( 0.000 -0.168 0.000) 0.168 3.229 ( 0.000 -1.711 0.000) 1.711 3.265 ( 0.000 -1.038 0.000) 1.038 3.285 ( 0.000 1.276 0.000) 1.276 3.301 ( 0.000 0.605 0.000) 0.605 3.306 ( 0.000 2.521 0.000) 2.521 3.313 ( 0.000 0.427 0.000) 0.427 3.328 ( 0.000 1.651 0.000) 1.651 3.330 ( 0.000 2.711 0.000) 2.711 3.349 ( 0.000 -0.560 0.000) 0.560 3.375 ( 0.000 1.327 0.000) 1.327 3.386 ( 0.000 -1.606 0.000) 1.606 3.428 ( 0.000 1.821 0.000) 1.821 3.467 ( 0.000 -3.023 0.000) 3.023 3.483 ( 0.000 -1.137 0.000) 1.137 3.496 ( 0.000 -1.359 0.000) 1.359 3.553 ( 0.000 -1.917 0.000) 1.917 3.599 ( 0.000 1.837 0.000) 1.837 3.636 ( 0.000 -0.101 0.000) 0.101 3.656 ( 0.000 0.619 0.000) 0.619 3.681 ( 0.000 -0.771 0.000) 0.771 3.720 ( 0.000 0.189 0.000) 0.189 3.721 ( 0.000 0.502 0.000) 0.502 3.874 ( 0.000 -0.695 0.000) 0.695 3.876 ( 0.000 -0.470 0.000) 0.470 3.934 ( 0.000 0.529 0.000) 0.529 3.950 ( 0.000 0.113 0.000) 0.113 4.051 ( 0.000 1.286 0.000) 1.286 4.089 ( 0.000 0.371 0.000) 0.371 4.098 ( 0.000 -0.165 0.000) 0.165 4.112 ( 0.000 -1.362 0.000) 1.362 4.274 ( 0.000 0.083 0.000) 0.083 4.276 ( 0.000 -0.022 0.000) 0.022 4.284 ( 0.000 0.664 0.000) 0.664 4.309 ( 0.000 -0.388 0.000) 0.388 4.917 ( 0.000 0.142 0.000) 0.142 4.920 ( 0.000 -0.054 0.000) 0.054 4.953 ( 0.000 -0.518 0.000) 0.518 4.963 ( 0.000 -0.739 0.000) 0.739 4.983 ( 0.000 0.631 0.000) 0.631 4.992 ( 0.000 0.200 0.000) 0.200 5.031 ( 0.000 1.313 0.000) 1.313 5.076 ( 0.000 0.432 0.000) 0.432 5.081 ( 0.000 -0.476 0.000) 0.476 5.100 ( 0.000 -0.146 0.000) 0.146 5.103 ( 0.000 -0.433 0.000) 0.433 5.109 ( 0.000 -1.382 0.000) 1.382 5.120 ( 0.000 0.276 0.000) 0.276 5.132 ( 0.000 -0.454 0.000) 0.454 5.208 ( 0.000 0.213 0.000) 0.213 5.216 ( 0.000 -0.175 0.000) 0.175 5.311 ( 0.000 0.330 0.000) 0.330 5.329 ( 0.000 -0.423 0.000) 0.423 5.379 ( 0.000 -0.230 0.000) 0.230 5.391 ( 0.000 -0.722 0.000) 0.722 5.420 ( 0.000 0.707 0.000) 0.707 5.430 ( 0.000 0.422 0.000) 0.422 5.500 ( 0.000 1.465 0.000) 1.465 5.562 ( 0.000 0.546 0.000) 0.546 5.565 ( 0.000 0.713 0.000) 0.713 5.579 ( 0.000 -1.942 0.000) 1.942 5.580 ( 0.000 -0.078 0.000) 0.078 5.594 ( 0.000 -0.349 0.000) 0.349 5.641 ( 0.000 0.184 0.000) 0.184 5.642 ( 0.000 0.082 0.000) 0.082 5.790 ( 0.000 1.598 0.000) 1.598 5.795 ( 0.000 1.796 0.000) 1.796 5.830 ( 0.000 0.346 0.000) 0.346 5.844 ( 0.000 -0.342 0.000) 0.342 5.849 ( 0.000 -1.093 0.000) 1.093 5.882 ( 0.000 0.077 0.000) 0.077 5.885 ( 0.000 -2.068 0.000) 2.068 5.899 ( 0.000 -0.536 0.000) 0.536 5.965 ( 0.000 0.094 0.000) 0.094 5.983 ( 0.000 -0.016 0.000) 0.016 6.047 ( 0.000 0.453 0.000) 0.453 6.068 ( 0.000 -0.473 0.000) 0.473 6.076 ( 0.000 -0.133 0.000) 0.133 6.099 ( 0.000 -1.732 0.000) 1.732 6.124 ( 0.000 0.141 0.000) 0.141 6.145 ( 0.000 -0.764 0.000) 0.764 6.193 ( 0.000 2.095 0.000) 2.095 6.193 ( 0.000 2.030 0.000) 2.030 6.664 ( 0.000 -0.017 0.000) 0.017 6.679 ( 0.000 0.295 0.000) 0.295 6.682 ( 0.000 1.480 0.000) 1.480 6.684 ( 0.000 1.775 0.000) 1.775 6.716 ( 0.000 -3.046 0.000) 3.046 6.725 ( 0.000 0.494 0.000) 0.494 6.755 ( 0.000 -3.133 0.000) 3.133 6.768 ( 0.000 -2.307 0.000) 2.307 6.827 ( 0.000 2.279 0.000) 2.279 6.845 ( 0.000 2.982 0.000) 2.982 6.853 ( 0.000 1.761 0.000) 1.761 6.872 ( 0.000 -0.344 0.000) 0.344 6.886 ( 0.000 -0.136 0.000) 0.136 7.008 ( 0.000 -4.151 0.000) 4.151 7.107 ( 0.000 1.362 0.000) 1.362 7.145 ( 0.000 -0.763 0.000) 0.763 ======================= Grid point 6 (5/27) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.381 ( 10.254 9.147 0.000) 13.740 0.495 ( 13.401 10.586 0.000) 17.078 0.750 ( 14.586 12.216 0.000) 19.026 0.860 ( 6.567 -6.160 0.000) 9.004 0.885 ( -9.822 -2.529 0.000) 10.142 0.925 ( 3.702 -8.912 0.000) 9.650 1.001 ( -4.694 -6.502 0.000) 8.019 1.040 ( -5.925 1.516 0.000) 6.116 1.085 ( 0.451 2.767 0.000) 2.804 1.112 ( -0.416 -0.084 0.000) 0.425 1.125 ( -1.294 3.745 0.000) 3.962 1.151 ( -0.689 1.320 0.000) 1.489 1.162 ( 0.636 2.932 0.000) 3.001 1.181 ( 1.482 -1.595 0.000) 2.177 1.194 ( 0.360 -1.039 0.000) 1.099 1.221 ( -1.810 -1.775 0.000) 2.536 1.245 ( 0.092 1.158 0.000) 1.162 1.287 ( 2.373 -0.532 0.000) 2.432 1.297 ( 0.385 -1.836 0.000) 1.876 1.326 ( 2.365 4.556 0.000) 5.133 1.327 ( 0.990 -2.201 0.000) 2.413 1.352 ( 0.983 -0.394 0.000) 1.059 1.361 ( -1.011 -1.239 0.000) 1.599 1.366 ( 0.251 -5.022 0.000) 5.028 1.380 ( 3.344 1.077 0.000) 3.513 1.392 ( 3.275 -5.639 0.000) 6.521 1.423 ( 1.831 0.119 0.000) 1.835 1.461 ( 0.159 -0.583 0.000) 0.605 1.472 ( 2.710 0.616 0.000) 2.779 1.486 ( -2.374 -1.553 0.000) 2.837 1.524 ( 1.032 0.947 0.000) 1.401 1.547 ( 1.192 2.099 0.000) 2.414 1.566 ( 1.018 2.526 0.000) 2.724 1.571 ( 0.366 -3.222 0.000) 3.242 1.596 ( 0.432 -1.601 0.000) 1.658 1.605 ( -1.614 -3.158 0.000) 3.547 1.639 ( 1.131 1.077 0.000) 1.561 1.641 ( 2.305 -1.522 0.000) 2.762 1.651 ( 1.150 -2.591 0.000) 2.835 1.653 ( 1.133 0.025 0.000) 1.133 1.675 ( 3.892 -0.934 0.000) 4.003 1.717 ( 1.818 0.785 0.000) 1.980 1.734 ( 1.002 -1.314 0.000) 1.653 1.754 ( 1.500 -0.752 0.000) 1.678 1.777 ( -1.601 -0.792 0.000) 1.786 1.780 ( 2.157 1.289 0.000) 2.512 1.792 ( 1.686 -2.639 0.000) 3.131 1.802 ( 3.874 1.556 0.000) 4.175 1.814 ( 0.452 -0.915 0.000) 1.020 1.842 ( 1.876 -4.007 0.000) 4.425 1.855 ( -0.429 -0.621 0.000) 0.755 1.859 ( -1.316 1.756 0.000) 2.195 1.885 ( 2.369 -0.040 0.000) 2.369 1.898 ( -1.055 3.055 0.000) 3.232 1.907 ( -0.691 1.363 0.000) 1.529 1.913 ( -5.734 -0.199 0.000) 5.737 1.962 ( 1.371 -4.254 0.000) 4.469 1.983 ( -0.368 0.083 0.000) 0.377 1.985 ( -0.853 0.034 0.000) 0.853 2.000 ( 3.097 2.001 0.000) 3.687 2.033 ( 1.269 1.315 0.000) 1.827 2.044 ( 0.204 -1.348 0.000) 1.364 2.075 ( -0.356 2.389 0.000) 2.415 2.087 ( -4.976 0.290 0.000) 4.984 2.092 ( 3.172 -2.217 0.000) 3.870 2.143 ( 0.427 1.725 0.000) 1.778 2.145 ( 1.588 2.809 0.000) 3.226 2.171 ( 0.091 0.494 0.000) 0.503 2.177 ( -1.546 -1.123 0.000) 1.911 2.239 ( -2.300 -1.288 0.000) 2.636 2.255 ( -0.616 -1.915 0.000) 2.011 2.259 ( -1.926 2.649 0.000) 3.275 2.275 ( -0.016 -0.849 0.000) 0.850 2.331 ( -1.104 0.238 0.000) 1.130 2.346 ( 0.582 1.985 0.000) 2.069 2.361 ( -1.178 0.976 0.000) 1.530 2.370 ( -2.104 0.920 0.000) 2.296 2.391 ( 2.151 1.924 0.000) 2.886 2.392 ( -0.682 2.258 0.000) 2.358 2.403 ( -2.291 -1.833 0.000) 2.934 2.437 ( 1.808 0.010 0.000) 1.808 2.451 ( 3.474 -2.273 0.000) 4.151 2.474 ( -0.046 -1.202 0.000) 1.203 2.485 ( 4.461 -1.498 0.000) 4.706 2.501 ( -1.868 3.064 0.000) 3.588 2.518 ( -1.460 -1.134 0.000) 1.849 2.522 ( -0.980 1.067 0.000) 1.449 2.548 ( 0.399 0.005 0.000) 0.399 2.579 ( 1.882 1.600 0.000) 2.470 2.642 ( -1.540 -0.909 0.000) 1.788 2.644 ( -3.078 -1.205 0.000) 3.305 2.656 ( -3.467 0.152 0.000) 3.471 2.688 ( 1.306 2.061 0.000) 2.440 2.733 ( -2.366 -1.284 0.000) 2.692 2.736 ( 0.701 0.700 0.000) 0.991 2.754 ( 0.963 -0.053 0.000) 0.965 2.787 ( -2.722 4.477 0.000) 5.239 2.795 ( 0.574 -0.431 0.000) 0.718 2.825 ( -1.091 -1.239 0.000) 1.651 2.834 ( 1.783 0.830 0.000) 1.966 2.861 ( -2.563 0.922 0.000) 2.723 2.898 ( 0.141 2.024 0.000) 2.029 2.933 ( -1.663 0.511 0.000) 1.740 2.945 ( -5.971 1.187 0.000) 6.087 2.952 ( -0.214 -1.285 0.000) 1.302 2.970 ( 0.578 -0.738 0.000) 0.937 2.992 ( -2.951 -2.078 0.000) 3.609 3.008 ( -0.994 0.865 0.000) 1.318 3.013 ( -2.248 1.525 0.000) 2.716 3.047 ( -5.916 2.298 0.000) 6.347 3.065 ( -0.243 -2.791 0.000) 2.801 3.065 ( 0.226 -0.061 0.000) 0.235 3.075 ( 0.121 0.625 0.000) 0.637 3.093 ( -1.061 0.338 0.000) 1.114 3.127 ( -1.170 -2.091 0.000) 2.396 3.142 ( 0.651 -1.659 0.000) 1.782 3.178 ( -0.501 2.081 0.000) 2.140 3.185 ( -1.037 1.920 0.000) 2.182 3.212 ( -2.291 -0.069 0.000) 2.292 3.228 ( -0.151 -0.061 0.000) 0.163 3.236 ( -2.683 1.420 0.000) 3.036 3.268 ( -4.512 -0.643 0.000) 4.558 3.275 ( -1.753 1.810 0.000) 2.520 3.286 ( -1.244 -0.326 0.000) 1.286 3.293 ( -1.689 -0.894 0.000) 1.911 3.318 ( -2.192 1.382 0.000) 2.591 3.325 ( -2.402 -0.246 0.000) 2.414 3.335 ( -1.794 2.923 0.000) 3.429 3.357 ( -1.167 -1.033 0.000) 1.559 3.382 ( -1.984 -0.022 0.000) 1.984 3.391 ( -6.092 -0.555 0.000) 6.117 3.435 ( 0.759 2.712 0.000) 2.816 3.443 ( -4.009 -1.377 0.000) 4.239 3.560 ( 1.055 -1.963 0.000) 2.229 3.576 ( -4.838 1.051 0.000) 4.951 3.595 ( -0.452 0.305 0.000) 0.545 3.713 ( 5.896 0.662 0.000) 5.933 3.736 ( 5.304 -0.250 0.000) 5.310 3.784 ( 4.621 0.878 0.000) 4.704 3.801 ( 5.582 -0.076 0.000) 5.583 3.878 ( 0.239 0.150 0.000) 0.282 3.915 ( -1.220 1.381 0.000) 1.843 3.929 ( -0.522 -1.301 0.000) 1.402 3.972 ( -2.334 -1.468 0.000) 2.758 4.124 ( 5.781 1.324 0.000) 5.931 4.136 ( 3.718 0.834 0.000) 3.811 4.172 ( 5.533 -0.874 0.000) 5.602 4.202 ( 6.473 -2.233 0.000) 6.847 4.264 ( -0.711 0.680 0.000) 0.984 4.294 ( 0.814 -0.718 0.000) 1.086 4.298 ( -1.307 0.190 0.000) 1.321 4.382 ( 1.882 -6.905 0.000) 7.157 4.927 ( 0.917 0.161 0.000) 0.931 4.931 ( 0.884 0.018 0.000) 0.884 4.955 ( 0.092 -0.255 0.000) 0.271 4.965 ( -0.090 -0.500 0.000) 0.508 4.976 ( -0.526 0.377 0.000) 0.647 4.986 ( -0.019 0.008 0.000) 0.020 5.002 ( -1.819 0.881 0.000) 2.021 5.034 ( -2.001 -0.432 0.000) 2.047 5.105 ( 0.713 -0.001 0.000) 0.713 5.107 ( 1.142 0.278 0.000) 1.176 5.110 ( 0.232 -0.194 0.000) 0.302 5.125 ( 0.704 -0.173 0.000) 0.725 5.141 ( 1.927 0.006 0.000) 1.927 5.148 ( 1.481 -0.222 0.000) 1.498 5.210 ( -0.441 -0.024 0.000) 0.441 5.212 ( -1.288 -0.205 0.000) 1.304 5.320 ( 0.855 0.173 0.000) 0.872 5.338 ( 0.755 -0.547 0.000) 0.932 5.369 ( -0.776 -0.316 0.000) 0.838 5.385 ( -1.515 -1.052 0.000) 1.844 5.448 ( 2.428 0.154 0.000) 2.433 5.462 ( 2.290 -0.478 0.000) 2.339 5.507 ( 0.894 1.334 0.000) 1.605 5.543 ( -1.651 0.720 0.000) 1.801 5.555 ( -2.002 0.165 0.000) 2.009 5.569 ( 0.177 0.166 0.000) 0.243 5.574 ( -0.361 -1.353 0.000) 1.400 5.584 ( -1.253 -0.407 0.000) 1.318 5.693 ( 4.251 0.260 0.000) 4.259 5.721 ( 2.386 -0.755 0.000) 2.502 5.774 ( -1.516 0.794 0.000) 1.711 5.799 ( -3.642 -0.454 0.000) 3.670 5.814 ( -0.360 0.157 0.000) 0.393 5.848 ( 0.886 -0.775 0.000) 1.177 5.869 ( 2.707 -1.375 0.000) 3.037 5.870 ( -0.381 -0.095 0.000) 0.393 5.888 ( -1.355 -1.021 0.000) 1.696 5.891 ( 2.337 -2.305 0.000) 3.283 5.946 ( -0.077 1.828 0.000) 1.829 5.984 ( -2.363 0.505 0.000) 2.416 6.061 ( 1.045 0.660 0.000) 1.236 6.075 ( 0.647 -0.290 0.000) 0.709 6.088 ( 0.794 -0.557 0.000) 0.969 6.110 ( -0.446 -0.221 0.000) 0.498 6.134 ( 2.655 0.533 0.000) 2.708 6.173 ( 1.334 1.099 0.000) 1.729 6.235 ( 5.473 -8.448 0.000) 10.066 6.269 ( 3.291 -1.821 0.000) 3.761 6.667 ( 0.170 -0.139 0.000) 0.219 6.677 ( -0.048 0.747 0.000) 0.748 6.678 ( -0.400 1.255 0.000) 1.318 6.681 ( -0.134 1.602 0.000) 1.608 6.721 ( 0.483 -2.231 0.000) 2.282 6.727 ( 0.128 0.198 0.000) 0.236 6.748 ( -0.485 -2.348 0.000) 2.398 6.762 ( -0.605 -1.831 0.000) 1.928 6.824 ( 0.051 2.702 0.000) 2.703 6.840 ( -0.410 2.727 0.000) 2.757 6.842 ( -0.174 2.662 0.000) 2.667 6.905 ( 2.497 -1.051 0.000) 2.709 6.922 ( 3.018 -0.786 0.000) 3.118 6.968 ( -5.503 2.668 0.000) 6.115 7.015 ( -4.478 1.668 0.000) 4.779 7.079 ( -3.319 0.340 0.000) 3.336 ======================= Grid point 7 (6/27) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.619 ( -11.234 1.596 0.000) 11.347 0.619 ( 11.234 1.596 0.000) 11.347 0.797 ( -11.223 6.177 0.000) 12.811 0.797 ( 11.223 6.177 0.000) 12.811 0.918 ( -3.084 -7.394 0.000) 8.011 0.918 ( 3.084 -7.394 0.000) 8.011 1.017 ( -0.055 -1.884 0.000) 1.885 1.017 ( 0.055 -1.884 0.000) 1.885 1.066 ( -1.017 2.562 0.000) 2.756 1.066 ( 1.017 2.562 0.000) 2.756 1.163 ( -0.979 0.418 0.000) 1.065 1.163 ( 0.979 0.418 0.000) 1.065 1.179 ( -2.234 -2.082 0.000) 3.053 1.179 ( 2.234 -2.082 0.000) 3.053 1.215 ( -1.269 -2.325 0.000) 2.649 1.215 ( 1.269 -2.325 0.000) 2.649 1.260 ( -5.798 1.173 0.000) 5.915 1.260 ( 5.798 1.173 0.000) 5.915 1.305 ( -1.008 -2.787 0.000) 2.964 1.305 ( 1.008 -2.787 0.000) 2.964 1.332 ( -2.337 1.402 0.000) 2.726 1.332 ( 2.337 1.402 0.000) 2.726 1.398 ( -2.411 -0.752 0.000) 2.526 1.398 ( 2.411 -0.752 0.000) 2.526 1.441 ( -2.724 -1.992 0.000) 3.374 1.441 ( 2.724 -1.992 0.000) 3.374 1.466 ( -2.166 -2.512 0.000) 3.317 1.466 ( 2.166 -2.512 0.000) 3.317 1.483 ( -1.051 2.575 0.000) 2.781 1.483 ( 1.051 2.575 0.000) 2.781 1.532 ( -0.983 4.504 0.000) 4.610 1.532 ( 0.983 4.504 0.000) 4.610 1.565 ( -0.819 0.256 0.000) 0.858 1.565 ( 0.819 0.256 0.000) 0.858 1.581 ( -2.048 -0.095 0.000) 2.050 1.581 ( 2.048 -0.095 0.000) 2.050 1.658 ( -0.485 0.414 0.000) 0.637 1.658 ( 0.485 0.414 0.000) 0.637 1.690 ( -0.715 -1.288 0.000) 1.473 1.690 ( 0.715 -1.288 0.000) 1.473 1.751 ( -0.356 -1.343 0.000) 1.389 1.751 ( 0.356 -1.343 0.000) 1.389 1.762 ( -0.982 2.223 0.000) 2.431 1.762 ( 0.982 2.223 0.000) 2.431 1.781 ( -2.304 -2.276 0.000) 3.238 1.781 ( 2.304 -2.276 0.000) 3.238 1.796 ( -1.202 -1.178 0.000) 1.683 1.796 ( 1.202 -1.178 0.000) 1.683 1.825 ( -1.021 -0.807 0.000) 1.301 1.825 ( 1.021 -0.807 0.000) 1.301 1.869 ( -0.478 2.908 0.000) 2.947 1.869 ( 0.478 2.908 0.000) 2.947 1.881 ( -1.414 0.279 0.000) 1.441 1.881 ( 1.414 0.279 0.000) 1.441 1.919 ( -3.669 -0.624 0.000) 3.722 1.919 ( 3.669 -0.624 0.000) 3.722 1.954 ( -3.546 -2.683 0.000) 4.447 1.954 ( 3.546 -2.683 0.000) 4.447 2.004 ( -1.222 -1.651 0.000) 2.054 2.004 ( 1.222 -1.651 0.000) 2.054 2.036 ( -0.925 1.526 0.000) 1.784 2.036 ( 0.925 1.526 0.000) 1.784 2.085 ( -0.220 -2.268 0.000) 2.279 2.085 ( 0.220 -2.268 0.000) 2.279 2.139 ( -3.786 2.807 0.000) 4.713 2.139 ( 3.786 2.807 0.000) 4.713 2.173 ( -2.251 2.851 0.000) 3.633 2.173 ( 2.251 2.851 0.000) 3.633 2.195 ( -3.276 -1.596 0.000) 3.644 2.195 ( 3.276 -1.596 0.000) 3.644 2.233 ( -0.256 -0.092 0.000) 0.272 2.233 ( 0.256 -0.092 0.000) 0.272 2.277 ( -1.115 -0.615 0.000) 1.273 2.277 ( 1.115 -0.615 0.000) 1.273 2.320 ( -0.499 -1.314 0.000) 1.405 2.320 ( 0.499 -1.314 0.000) 1.405 2.375 ( -2.191 -0.001 0.000) 2.191 2.375 ( 2.191 -0.001 0.000) 2.191 2.401 ( -2.200 -0.553 0.000) 2.268 2.401 ( 2.200 -0.553 0.000) 2.268 2.453 ( -2.759 -0.498 0.000) 2.803 2.453 ( 2.759 -0.498 0.000) 2.803 2.491 ( -1.355 -1.942 0.000) 2.368 2.491 ( 1.355 -1.942 0.000) 2.368 2.513 ( -0.179 0.663 0.000) 0.687 2.513 ( 0.179 0.663 0.000) 0.687 2.574 ( -0.699 0.459 0.000) 0.836 2.574 ( 0.699 0.459 0.000) 0.836 2.606 ( -0.738 1.741 0.000) 1.891 2.606 ( 0.738 1.741 0.000) 1.891 2.628 ( -0.817 -1.584 0.000) 1.782 2.628 ( 0.817 -1.584 0.000) 1.782 2.690 ( -1.387 2.826 0.000) 3.148 2.690 ( 1.387 2.826 0.000) 3.148 2.760 ( -3.844 -0.075 0.000) 3.844 2.760 ( 3.844 -0.075 0.000) 3.844 2.778 ( -3.154 -0.576 0.000) 3.207 2.778 ( 3.154 -0.576 0.000) 3.207 2.808 ( -2.209 -0.012 0.000) 2.209 2.808 ( 2.209 -0.012 0.000) 2.209 2.878 ( -0.918 1.194 0.000) 1.506 2.878 ( 0.918 1.194 0.000) 1.506 2.882 ( -0.732 2.315 0.000) 2.428 2.882 ( 0.732 2.315 0.000) 2.428 2.924 ( -1.484 2.636 0.000) 3.025 2.924 ( 1.484 2.636 0.000) 3.025 2.962 ( -0.116 -0.690 0.000) 0.699 2.962 ( 0.116 -0.690 0.000) 0.699 3.052 ( -0.403 -0.240 0.000) 0.469 3.052 ( 0.403 -0.240 0.000) 0.469 3.069 ( -0.739 -0.305 0.000) 0.800 3.069 ( 0.739 -0.305 0.000) 0.800 3.072 ( -0.770 -0.565 0.000) 0.955 3.072 ( 0.770 -0.565 0.000) 0.955 3.117 ( -1.959 -0.570 0.000) 2.040 3.117 ( 1.959 -0.570 0.000) 2.040 3.161 ( -0.418 1.050 0.000) 1.130 3.161 ( 0.418 1.050 0.000) 1.130 3.204 ( -1.509 1.665 0.000) 2.247 3.204 ( 1.509 1.665 0.000) 2.247 3.217 ( -0.737 -1.542 0.000) 1.709 3.217 ( 0.737 -1.542 0.000) 1.709 3.263 ( -2.009 -0.050 0.000) 2.010 3.263 ( 2.009 -0.050 0.000) 2.010 3.288 ( -0.209 -0.400 0.000) 0.451 3.288 ( 0.209 -0.400 0.000) 0.451 3.308 ( -0.394 0.008 0.000) 0.394 3.308 ( 0.394 0.008 0.000) 0.394 3.328 ( -1.706 -0.022 0.000) 1.706 3.328 ( 1.706 -0.022 0.000) 1.706 3.371 ( -1.831 -1.683 0.000) 2.487 3.371 ( 1.831 -1.683 0.000) 2.487 3.483 ( -3.707 3.419 0.000) 5.043 3.483 ( 3.707 3.419 0.000) 5.043 3.581 ( -0.875 -1.135 0.000) 1.433 3.581 ( 0.875 -1.135 0.000) 1.433 3.843 ( -4.115 0.272 0.000) 4.124 3.843 ( 4.115 0.272 0.000) 4.124 3.852 ( -5.747 0.046 0.000) 5.747 3.852 ( 5.747 0.046 0.000) 5.747 3.873 ( -4.226 1.103 0.000) 4.367 3.873 ( 4.226 1.103 0.000) 4.367 3.899 ( -3.713 -0.364 0.000) 3.731 3.899 ( 3.713 -0.364 0.000) 3.731 4.210 ( -2.544 0.682 0.000) 2.634 4.210 ( 2.544 0.682 0.000) 2.634 4.234 ( -2.877 0.427 0.000) 2.908 4.234 ( 2.877 0.427 0.000) 2.908 4.278 ( -2.226 -0.614 0.000) 2.309 4.278 ( 2.226 -0.614 0.000) 2.309 4.339 ( -4.906 -3.611 0.000) 6.092 4.339 ( 4.906 -3.611 0.000) 6.092 4.948 ( -0.892 0.057 0.000) 0.894 4.948 ( 0.892 0.057 0.000) 0.894 4.951 ( -1.014 0.044 0.000) 1.015 4.951 ( 1.014 0.044 0.000) 1.015 4.975 ( -0.660 0.601 0.000) 0.893 4.975 ( 0.660 0.601 0.000) 0.893 5.002 ( -1.261 -0.539 0.000) 1.371 5.002 ( 1.261 -0.539 0.000) 1.371 5.116 ( -0.232 0.019 0.000) 0.233 5.116 ( 0.232 0.019 0.000) 0.233 5.124 ( -0.730 -0.341 0.000) 0.806 5.124 ( 0.730 -0.341 0.000) 0.806 5.180 ( -1.613 0.212 0.000) 1.627 5.180 ( 1.613 0.212 0.000) 1.627 5.184 ( -1.872 0.023 0.000) 1.872 5.184 ( 1.872 0.023 0.000) 1.872 5.347 ( -1.759 -0.313 0.000) 1.786 5.347 ( 1.759 -0.313 0.000) 1.786 5.355 ( -0.808 -0.614 0.000) 1.015 5.355 ( 0.808 -0.614 0.000) 1.015 5.501 ( -2.462 0.571 0.000) 2.528 5.501 ( 2.462 0.571 0.000) 2.528 5.510 ( -2.245 0.214 0.000) 2.255 5.510 ( 2.245 0.214 0.000) 2.255 5.542 ( -2.428 0.096 0.000) 2.430 5.542 ( 2.428 0.096 0.000) 2.430 5.570 ( -0.021 -0.614 0.000) 0.614 5.570 ( 0.021 -0.614 0.000) 0.614 5.741 ( -1.498 -0.016 0.000) 1.498 5.741 ( 1.498 -0.016 0.000) 1.498 5.752 ( -0.778 -0.187 0.000) 0.800 5.752 ( 0.778 -0.187 0.000) 0.800 5.850 ( -2.760 0.497 0.000) 2.805 5.850 ( 2.760 0.497 0.000) 2.805 5.862 ( -0.680 -0.175 0.000) 0.702 5.862 ( 0.680 -0.175 0.000) 0.702 5.913 ( -3.193 0.728 0.000) 3.275 5.913 ( 3.193 0.728 0.000) 3.275 5.938 ( -1.144 0.454 0.000) 1.231 5.938 ( 1.144 0.454 0.000) 1.231 6.078 ( -0.473 0.450 0.000) 0.653 6.078 ( 0.473 0.450 0.000) 0.653 6.101 ( -0.459 -0.501 0.000) 0.679 6.101 ( 0.459 -0.501 0.000) 0.679 6.182 ( -1.152 -0.152 0.000) 1.162 6.182 ( 1.152 -0.152 0.000) 1.162 6.301 ( -0.613 -7.487 0.000) 7.512 6.301 ( 0.613 -7.487 0.000) 7.512 6.671 ( -0.276 0.358 0.000) 0.452 6.671 ( 0.276 0.358 0.000) 0.452 6.679 ( -0.124 1.457 0.000) 1.462 6.679 ( 0.124 1.457 0.000) 1.462 6.729 ( -0.024 -1.089 0.000) 1.089 6.729 ( 0.024 -1.089 0.000) 1.089 6.746 ( -0.629 -0.876 0.000) 1.078 6.746 ( 0.629 -0.876 0.000) 1.078 6.831 ( -0.459 2.309 0.000) 2.354 6.831 ( 0.459 2.309 0.000) 2.354 6.866 ( -2.977 5.708 0.000) 6.438 6.866 ( 2.977 5.708 0.000) 6.438 6.958 ( -2.551 -2.156 0.000) 3.340 6.958 ( 2.551 -2.156 0.000) 3.340 6.999 ( -4.207 -0.729 0.000) 4.269 6.999 ( 4.207 -0.729 0.000) 4.269 ======================= Grid point 10 (7/27) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 0.000 -13.783 0.000) 13.783 0.542 ( 0.000 13.783 0.000) 13.783 0.619 ( 0.000 -14.998 0.000) 14.998 0.619 ( 0.000 14.998 0.000) 14.998 0.978 ( 0.000 -18.094 0.000) 18.094 0.978 ( 0.000 18.094 0.000) 18.094 1.011 ( 0.000 -1.817 0.000) 1.817 1.011 ( 0.000 1.817 0.000) 1.817 1.106 ( 0.000 -0.642 0.000) 0.642 1.106 ( 0.000 0.642 0.000) 0.642 1.163 ( 0.000 -2.212 0.000) 2.212 1.163 ( 0.000 2.212 0.000) 2.212 1.186 ( 0.000 -1.145 0.000) 1.145 1.186 ( 0.000 1.145 0.000) 1.145 1.189 ( 0.000 -0.257 0.000) 0.257 1.189 ( 0.000 0.257 0.000) 0.257 1.231 ( 0.000 -0.987 0.000) 0.987 1.231 ( 0.000 0.987 0.000) 0.987 1.268 ( 0.000 -4.571 0.000) 4.571 1.268 ( 0.000 4.571 0.000) 4.571 1.305 ( 0.000 -1.665 0.000) 1.665 1.305 ( 0.000 1.665 0.000) 1.665 1.355 ( 0.000 -1.206 0.000) 1.206 1.355 ( 0.000 1.206 0.000) 1.206 1.359 ( 0.000 -2.513 0.000) 2.513 1.359 ( 0.000 2.513 0.000) 2.513 1.434 ( 0.000 -5.341 0.000) 5.341 1.434 ( 0.000 5.341 0.000) 5.341 1.479 ( 0.000 -1.491 0.000) 1.491 1.479 ( 0.000 1.491 0.000) 1.491 1.500 ( 0.000 -0.171 0.000) 0.171 1.500 ( 0.000 0.171 0.000) 0.171 1.537 ( 0.000 -2.156 0.000) 2.156 1.537 ( 0.000 2.156 0.000) 2.156 1.551 ( 0.000 -0.900 0.000) 0.900 1.551 ( 0.000 0.900 0.000) 0.900 1.603 ( 0.000 -0.257 0.000) 0.257 1.603 ( 0.000 0.257 0.000) 0.257 1.630 ( 0.000 -1.595 0.000) 1.595 1.630 ( 0.000 1.595 0.000) 1.595 1.647 ( 0.000 -0.304 0.000) 0.304 1.647 ( 0.000 0.304 0.000) 0.304 1.728 ( 0.000 -2.730 0.000) 2.730 1.728 ( 0.000 2.730 0.000) 2.730 1.761 ( 0.000 -0.423 0.000) 0.423 1.761 ( 0.000 0.423 0.000) 0.423 1.776 ( 0.000 -1.153 0.000) 1.153 1.776 ( 0.000 1.153 0.000) 1.153 1.809 ( 0.000 -2.007 0.000) 2.007 1.809 ( 0.000 2.007 0.000) 2.007 1.861 ( 0.000 -0.116 0.000) 0.116 1.861 ( 0.000 0.116 0.000) 0.116 1.917 ( 0.000 -0.323 0.000) 0.323 1.917 ( 0.000 0.323 0.000) 0.323 1.934 ( 0.000 -0.394 0.000) 0.394 1.934 ( 0.000 0.394 0.000) 0.394 1.941 ( 0.000 -3.032 0.000) 3.032 1.941 ( 0.000 3.032 0.000) 3.032 2.003 ( 0.000 -3.804 0.000) 3.804 2.003 ( 0.000 3.804 0.000) 3.804 2.015 ( 0.000 -2.337 0.000) 2.337 2.015 ( 0.000 2.337 0.000) 2.337 2.137 ( 0.000 -2.697 0.000) 2.697 2.137 ( 0.000 2.697 0.000) 2.697 2.142 ( 0.000 -3.302 0.000) 3.302 2.142 ( 0.000 3.302 0.000) 3.302 2.152 ( 0.000 -2.480 0.000) 2.480 2.152 ( 0.000 2.480 0.000) 2.480 2.200 ( 0.000 -1.641 0.000) 1.641 2.200 ( 0.000 1.641 0.000) 1.641 2.300 ( 0.000 -1.471 0.000) 1.471 2.300 ( 0.000 1.471 0.000) 1.471 2.322 ( 0.000 -3.744 0.000) 3.744 2.322 ( 0.000 3.744 0.000) 3.744 2.348 ( 0.000 -0.063 0.000) 0.063 2.348 ( 0.000 0.063 0.000) 0.063 2.377 ( 0.000 -1.013 0.000) 1.013 2.377 ( 0.000 1.013 0.000) 1.013 2.414 ( 0.000 -2.109 0.000) 2.109 2.414 ( 0.000 2.109 0.000) 2.109 2.440 ( 0.000 -0.505 0.000) 0.505 2.440 ( 0.000 0.505 0.000) 0.505 2.462 ( 0.000 -2.956 0.000) 2.956 2.462 ( 0.000 2.956 0.000) 2.956 2.532 ( 0.000 -1.567 0.000) 1.567 2.532 ( 0.000 1.567 0.000) 1.567 2.551 ( 0.000 -0.113 0.000) 0.113 2.551 ( 0.000 0.113 0.000) 0.113 2.613 ( 0.000 -3.046 0.000) 3.046 2.613 ( 0.000 3.046 0.000) 3.046 2.698 ( 0.000 -3.219 0.000) 3.219 2.698 ( 0.000 3.219 0.000) 3.219 2.731 ( 0.000 -3.888 0.000) 3.888 2.731 ( 0.000 3.888 0.000) 3.888 2.738 ( 0.000 -0.424 0.000) 0.424 2.738 ( 0.000 0.424 0.000) 0.424 2.787 ( 0.000 -1.626 0.000) 1.626 2.787 ( 0.000 1.626 0.000) 1.626 2.810 ( 0.000 -3.337 0.000) 3.337 2.810 ( 0.000 3.337 0.000) 3.337 2.922 ( 0.000 -2.986 0.000) 2.986 2.922 ( 0.000 2.986 0.000) 2.986 2.954 ( 0.000 -3.110 0.000) 3.110 2.954 ( 0.000 3.110 0.000) 3.110 2.973 ( 0.000 -1.475 0.000) 1.475 2.973 ( 0.000 1.475 0.000) 1.475 2.993 ( 0.000 -2.699 0.000) 2.699 2.993 ( 0.000 2.699 0.000) 2.699 3.080 ( 0.000 -1.232 0.000) 1.232 3.080 ( 0.000 1.232 0.000) 1.232 3.084 ( 0.000 -0.809 0.000) 0.809 3.084 ( 0.000 0.809 0.000) 0.809 3.107 ( 0.000 -1.459 0.000) 1.459 3.107 ( 0.000 1.459 0.000) 1.459 3.124 ( 0.000 -0.313 0.000) 0.313 3.124 ( 0.000 0.313 0.000) 0.313 3.212 ( 0.000 -0.789 0.000) 0.789 3.212 ( 0.000 0.789 0.000) 0.789 3.228 ( 0.000 -1.827 0.000) 1.827 3.228 ( 0.000 1.827 0.000) 1.827 3.306 ( 0.000 -1.057 0.000) 1.057 3.306 ( 0.000 1.057 0.000) 1.057 3.328 ( 0.000 -1.729 0.000) 1.729 3.328 ( 0.000 1.729 0.000) 1.729 3.342 ( 0.000 -1.514 0.000) 1.514 3.342 ( 0.000 1.514 0.000) 1.514 3.370 ( 0.000 -0.943 0.000) 0.943 3.370 ( 0.000 0.943 0.000) 0.943 3.401 ( 0.000 -3.979 0.000) 3.979 3.401 ( 0.000 3.979 0.000) 3.979 3.474 ( 0.000 -0.580 0.000) 0.580 3.474 ( 0.000 0.580 0.000) 0.580 3.493 ( 0.000 -4.203 0.000) 4.203 3.493 ( 0.000 4.203 0.000) 4.203 3.629 ( 0.000 -1.069 0.000) 1.069 3.629 ( 0.000 1.069 0.000) 1.069 3.668 ( 0.000 -0.609 0.000) 0.609 3.668 ( 0.000 0.609 0.000) 0.609 3.723 ( 0.000 -0.160 0.000) 0.160 3.723 ( 0.000 0.160 0.000) 0.160 3.869 ( 0.000 -0.177 0.000) 0.177 3.869 ( 0.000 0.177 0.000) 0.177 3.946 ( 0.000 -0.563 0.000) 0.563 3.946 ( 0.000 0.563 0.000) 0.563 4.081 ( 0.000 -1.808 0.000) 1.808 4.081 ( 0.000 1.808 0.000) 1.808 4.095 ( 0.000 -0.189 0.000) 0.189 4.095 ( 0.000 0.189 0.000) 0.189 4.275 ( 0.000 -0.059 0.000) 0.059 4.275 ( 0.000 0.059 0.000) 0.059 4.298 ( 0.000 -0.792 0.000) 0.792 4.298 ( 0.000 0.792 0.000) 0.792 4.919 ( 0.000 -0.095 0.000) 0.095 4.919 ( 0.000 0.095 0.000) 0.095 4.952 ( 0.000 -0.359 0.000) 0.359 4.952 ( 0.000 0.359 0.000) 0.359 4.991 ( 0.000 -0.242 0.000) 0.242 4.991 ( 0.000 0.242 0.000) 0.242 5.061 ( 0.000 -1.703 0.000) 1.703 5.061 ( 0.000 1.703 0.000) 1.703 5.086 ( 0.000 -0.786 0.000) 0.786 5.086 ( 0.000 0.786 0.000) 0.786 5.099 ( 0.000 -0.048 0.000) 0.048 5.099 ( 0.000 0.048 0.000) 0.048 5.125 ( 0.000 -0.257 0.000) 0.257 5.125 ( 0.000 0.257 0.000) 0.257 5.212 ( 0.000 -0.232 0.000) 0.232 5.212 ( 0.000 0.232 0.000) 0.232 5.320 ( 0.000 -0.550 0.000) 0.550 5.320 ( 0.000 0.550 0.000) 0.550 5.380 ( 0.000 -0.357 0.000) 0.357 5.380 ( 0.000 0.357 0.000) 0.357 5.431 ( 0.000 -0.324 0.000) 0.324 5.431 ( 0.000 0.324 0.000) 0.324 5.537 ( 0.000 -2.402 0.000) 2.402 5.537 ( 0.000 2.402 0.000) 2.402 5.572 ( 0.000 -0.334 0.000) 0.334 5.572 ( 0.000 0.334 0.000) 0.334 5.583 ( 0.000 -0.730 0.000) 0.730 5.583 ( 0.000 0.730 0.000) 0.730 5.643 ( 0.000 -0.005 0.000) 0.005 5.643 ( 0.000 0.005 0.000) 0.005 5.822 ( 0.000 -1.734 0.000) 1.734 5.822 ( 0.000 1.734 0.000) 1.734 5.833 ( 0.000 -1.451 0.000) 1.451 5.833 ( 0.000 1.451 0.000) 1.451 5.842 ( 0.000 -1.667 0.000) 1.667 5.842 ( 0.000 1.667 0.000) 1.667 5.887 ( 0.000 -0.524 0.000) 0.524 5.887 ( 0.000 0.524 0.000) 0.524 5.975 ( 0.000 -0.743 0.000) 0.743 5.975 ( 0.000 0.743 0.000) 0.743 6.057 ( 0.000 -0.629 0.000) 0.629 6.057 ( 0.000 0.629 0.000) 0.629 6.079 ( 0.000 -0.488 0.000) 0.488 6.079 ( 0.000 0.488 0.000) 0.488 6.131 ( 0.000 -0.659 0.000) 0.659 6.131 ( 0.000 0.659 0.000) 0.659 6.215 ( 0.000 -0.028 0.000) 0.028 6.215 ( 0.000 0.028 0.000) 0.028 6.673 ( 0.000 -1.357 0.000) 1.357 6.673 ( 0.000 1.357 0.000) 1.357 6.703 ( 0.000 -2.224 0.000) 2.224 6.703 ( 0.000 2.224 0.000) 2.224 6.714 ( 0.000 -1.601 0.000) 1.601 6.714 ( 0.000 1.601 0.000) 1.601 6.724 ( 0.000 -2.377 0.000) 2.377 6.724 ( 0.000 2.377 0.000) 2.377 6.859 ( 0.000 -1.151 0.000) 1.151 6.859 ( 0.000 1.151 0.000) 1.151 6.877 ( 0.000 -0.842 0.000) 0.842 6.877 ( 0.000 0.842 0.000) 0.842 6.921 ( 0.000 -4.899 0.000) 4.899 6.921 ( 0.000 4.899 0.000) 4.899 7.128 ( 0.000 -1.035 0.000) 1.035 7.128 ( 0.000 1.035 0.000) 1.035 ======================= Grid point 12 (8/27) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 5.286 -13.462 0.000) 14.463 0.609 ( 5.286 13.462 0.000) 14.463 0.715 ( 8.295 -12.354 0.000) 14.881 0.715 ( 8.295 12.354 0.000) 14.881 0.896 ( -7.605 -3.568 0.000) 8.400 0.896 ( -7.605 3.568 0.000) 8.400 1.025 ( 1.785 -6.873 0.000) 7.101 1.025 ( 1.785 6.873 0.000) 7.101 1.133 ( -0.459 -2.776 0.000) 2.814 1.133 ( -0.459 2.776 0.000) 2.814 1.151 ( -3.823 -2.405 0.000) 4.517 1.151 ( -3.823 2.405 0.000) 4.517 1.191 ( 6.860 -4.278 0.000) 8.085 1.191 ( 6.860 4.278 0.000) 8.085 1.209 ( -1.199 -2.113 0.000) 2.429 1.209 ( -1.199 2.113 0.000) 2.429 1.238 ( 1.456 -1.122 0.000) 1.838 1.238 ( 1.456 1.122 0.000) 1.838 1.279 ( -2.968 -2.192 0.000) 3.690 1.279 ( -2.968 2.192 0.000) 3.690 1.299 ( -0.161 -3.423 0.000) 3.427 1.299 ( -0.161 3.423 0.000) 3.427 1.351 ( 2.368 -1.414 0.000) 2.758 1.351 ( 2.368 1.414 0.000) 2.758 1.402 ( 1.486 -0.801 0.000) 1.688 1.402 ( 1.486 0.801 0.000) 1.688 1.452 ( 3.413 -4.626 0.000) 5.749 1.452 ( 3.413 4.626 0.000) 5.749 1.477 ( -1.673 -1.844 0.000) 2.490 1.477 ( -1.673 1.844 0.000) 2.490 1.486 ( 3.396 -3.693 0.000) 5.017 1.486 ( 3.396 3.693 0.000) 5.017 1.563 ( 3.220 -1.647 0.000) 3.617 1.563 ( 3.220 1.647 0.000) 3.617 1.595 ( 0.203 -0.742 0.000) 0.769 1.595 ( 0.203 0.742 0.000) 0.769 1.628 ( 2.063 -1.354 0.000) 2.467 1.628 ( 2.063 1.354 0.000) 2.467 1.656 ( 1.329 -0.295 0.000) 1.362 1.656 ( 1.329 0.295 0.000) 1.362 1.688 ( 3.651 -2.744 0.000) 4.567 1.688 ( 3.651 2.744 0.000) 4.567 1.739 ( 1.142 -1.363 0.000) 1.779 1.739 ( 1.142 1.363 0.000) 1.779 1.768 ( -0.021 -0.424 0.000) 0.425 1.768 ( -0.021 0.424 0.000) 0.425 1.793 ( 2.813 -1.384 0.000) 3.135 1.793 ( 2.813 1.384 0.000) 3.135 1.817 ( 0.497 -1.497 0.000) 1.577 1.817 ( 0.497 1.497 0.000) 1.577 1.865 ( 2.043 -1.259 0.000) 2.399 1.865 ( 2.043 1.259 0.000) 2.399 1.888 ( -3.933 -2.186 0.000) 4.500 1.888 ( -3.933 2.186 0.000) 4.500 1.938 ( -1.451 -0.305 0.000) 1.483 1.938 ( -1.451 0.305 0.000) 1.483 1.960 ( -0.466 -2.447 0.000) 2.490 1.960 ( -0.466 2.447 0.000) 2.490 1.986 ( -2.740 -2.196 0.000) 3.512 1.986 ( -2.740 2.196 0.000) 3.512 2.021 ( 5.064 -0.617 0.000) 5.101 2.021 ( 5.064 0.617 0.000) 5.101 2.119 ( -1.833 -4.235 0.000) 4.615 2.119 ( -1.833 4.235 0.000) 4.615 2.130 ( 0.011 -1.125 0.000) 1.125 2.130 ( 0.011 1.125 0.000) 1.125 2.153 ( -1.136 -1.613 0.000) 1.973 2.153 ( -1.136 1.613 0.000) 1.973 2.198 ( -0.615 -3.165 0.000) 3.224 2.198 ( -0.615 3.165 0.000) 3.224 2.266 ( -0.917 -2.353 0.000) 2.525 2.266 ( -0.917 2.353 0.000) 2.525 2.313 ( 0.068 -3.052 0.000) 3.053 2.313 ( 0.068 3.052 0.000) 3.053 2.366 ( -1.132 -1.212 0.000) 1.658 2.366 ( -1.132 1.212 0.000) 1.658 2.396 ( -2.452 -1.667 0.000) 2.966 2.396 ( -2.452 1.667 0.000) 2.966 2.402 ( -2.186 -3.401 0.000) 4.042 2.402 ( -2.186 3.401 0.000) 4.042 2.433 ( 4.119 -1.458 0.000) 4.369 2.433 ( 4.119 1.458 0.000) 4.369 2.435 ( -0.788 -1.828 0.000) 1.991 2.435 ( -0.788 1.828 0.000) 1.991 2.537 ( 1.234 -1.845 0.000) 2.219 2.537 ( 1.234 1.845 0.000) 2.219 2.541 ( -2.326 -0.287 0.000) 2.344 2.541 ( -2.326 0.287 0.000) 2.344 2.614 ( 1.021 -1.953 0.000) 2.204 2.614 ( 1.021 1.953 0.000) 2.204 2.645 ( -3.213 -1.350 0.000) 3.485 2.645 ( -3.213 1.350 0.000) 3.485 2.732 ( 0.234 -1.905 0.000) 1.919 2.732 ( 0.234 1.905 0.000) 1.919 2.733 ( -1.133 -1.423 0.000) 1.819 2.733 ( -1.133 1.423 0.000) 1.819 2.804 ( 1.744 -1.435 0.000) 2.258 2.804 ( 1.744 1.435 0.000) 2.258 2.838 ( 2.563 -1.217 0.000) 2.837 2.838 ( 2.563 1.217 0.000) 2.837 2.888 ( -6.258 -2.841 0.000) 6.873 2.888 ( -6.258 2.841 0.000) 6.873 2.936 ( 0.012 -2.279 0.000) 2.279 2.936 ( 0.012 2.279 0.000) 2.279 2.968 ( -3.538 -0.614 0.000) 3.591 2.968 ( -3.538 0.614 0.000) 3.591 3.000 ( 3.035 -3.323 0.000) 4.501 3.000 ( 3.035 3.323 0.000) 4.501 3.035 ( -3.713 -1.415 0.000) 3.973 3.035 ( -3.713 1.415 0.000) 3.973 3.045 ( -0.342 -1.781 0.000) 1.814 3.045 ( -0.342 1.781 0.000) 1.814 3.096 ( -1.464 -1.244 0.000) 1.921 3.096 ( -1.464 1.244 0.000) 1.921 3.110 ( -0.667 -1.466 0.000) 1.610 3.110 ( -0.667 1.466 0.000) 1.610 3.213 ( 0.198 -1.576 0.000) 1.589 3.213 ( 0.198 1.576 0.000) 1.589 3.220 ( -0.020 -0.734 0.000) 0.734 3.220 ( -0.020 0.734 0.000) 0.734 3.264 ( -4.999 -1.041 0.000) 5.106 3.264 ( -4.999 1.041 0.000) 5.106 3.265 ( -3.416 -1.655 0.000) 3.796 3.265 ( -3.416 1.655 0.000) 3.796 3.320 ( -1.724 -2.596 0.000) 3.117 3.320 ( -1.724 2.596 0.000) 3.117 3.325 ( -2.793 -0.367 0.000) 2.817 3.325 ( -2.793 0.367 0.000) 2.817 3.374 ( -2.953 -0.966 0.000) 3.107 3.374 ( -2.953 0.966 0.000) 3.107 3.409 ( -4.285 -1.951 0.000) 4.709 3.409 ( -4.285 1.951 0.000) 4.709 3.504 ( 1.713 -3.901 0.000) 4.260 3.504 ( 1.713 3.901 0.000) 4.260 3.593 ( -2.577 -0.557 0.000) 2.637 3.593 ( -2.577 0.557 0.000) 2.637 3.727 ( 5.611 -0.745 0.000) 5.660 3.727 ( 5.611 0.745 0.000) 5.660 3.797 ( 5.182 -0.451 0.000) 5.201 3.797 ( 5.182 0.451 0.000) 5.201 3.897 ( 0.353 -1.769 0.000) 1.803 3.897 ( 0.353 1.769 0.000) 1.803 3.943 ( -1.007 -1.571 0.000) 1.866 3.943 ( -1.007 1.571 0.000) 1.866 4.153 ( 4.497 -1.051 0.000) 4.619 4.153 ( 4.497 1.051 0.000) 4.619 4.158 ( 5.779 -2.285 0.000) 6.214 4.158 ( 5.779 2.285 0.000) 6.214 4.279 ( -0.051 -0.868 0.000) 0.869 4.279 ( -0.051 0.868 0.000) 0.869 4.309 ( 0.258 -1.540 0.000) 1.561 4.309 ( 0.258 1.540 0.000) 1.561 4.930 ( 0.938 -0.132 0.000) 0.947 4.930 ( 0.938 0.132 0.000) 0.947 4.956 ( 0.264 -0.359 0.000) 0.446 4.956 ( 0.264 0.359 0.000) 0.446 4.983 ( -0.440 -0.328 0.000) 0.549 4.983 ( -0.440 0.328 0.000) 0.549 5.021 ( -2.086 -1.025 0.000) 2.324 5.021 ( -2.086 1.025 0.000) 2.324 5.106 ( 0.455 -0.179 0.000) 0.489 5.106 ( 0.455 0.179 0.000) 0.489 5.116 ( 0.984 -0.629 0.000) 1.167 5.116 ( 0.984 0.629 0.000) 1.167 5.144 ( 1.845 -0.223 0.000) 1.858 5.144 ( 1.845 0.223 0.000) 1.858 5.210 ( -0.701 -0.047 0.000) 0.702 5.210 ( -0.701 0.047 0.000) 0.702 5.327 ( 0.652 -0.546 0.000) 0.851 5.327 ( 0.652 0.546 0.000) 0.851 5.370 ( -0.978 -0.487 0.000) 1.092 5.370 ( -0.978 0.487 0.000) 1.092 5.454 ( 2.250 -0.454 0.000) 2.295 5.454 ( 2.250 0.454 0.000) 2.295 5.541 ( 0.331 -2.059 0.000) 2.085 5.541 ( 0.331 2.059 0.000) 2.085 5.554 ( -1.655 -0.382 0.000) 1.699 5.554 ( -1.655 0.382 0.000) 1.699 5.574 ( -0.809 -0.532 0.000) 0.969 5.574 ( -0.809 0.532 0.000) 0.969 5.703 ( 3.878 -0.860 0.000) 3.972 5.703 ( 3.878 0.860 0.000) 3.972 5.788 ( -2.746 -0.710 0.000) 2.837 5.788 ( -2.746 0.710 0.000) 2.837 5.829 ( 0.728 -1.151 0.000) 1.362 5.829 ( 0.728 1.151 0.000) 1.362 5.865 ( 2.071 -0.665 0.000) 2.175 5.865 ( 2.071 0.665 0.000) 2.175 5.873 ( -0.596 -0.540 0.000) 0.804 5.873 ( -0.596 0.540 0.000) 0.804 5.978 ( -0.655 -1.315 0.000) 1.469 5.978 ( -0.655 1.315 0.000) 1.469 6.075 ( 1.047 -0.788 0.000) 1.310 6.075 ( 1.047 0.788 0.000) 1.310 6.085 ( 0.373 -1.444 0.000) 1.491 6.085 ( 0.373 1.444 0.000) 1.491 6.155 ( 2.315 -2.071 0.000) 3.107 6.155 ( 2.315 2.071 0.000) 3.107 6.221 ( 0.181 -3.162 0.000) 3.167 6.221 ( 0.181 3.162 0.000) 3.167 6.680 ( 0.649 -1.717 0.000) 1.836 6.680 ( 0.649 1.717 0.000) 1.836 6.706 ( 0.316 -1.997 0.000) 2.022 6.706 ( 0.316 1.997 0.000) 2.022 6.708 ( -0.527 -1.198 0.000) 1.309 6.708 ( -0.527 1.198 0.000) 1.309 6.722 ( -0.204 -1.875 0.000) 1.886 6.722 ( -0.204 1.875 0.000) 1.886 6.865 ( 0.707 -1.404 0.000) 1.572 6.865 ( 0.707 1.404 0.000) 1.572 6.899 ( 2.151 -1.439 0.000) 2.588 6.899 ( 2.151 1.439 0.000) 2.588 6.910 ( -0.994 -4.400 0.000) 4.511 6.910 ( -0.994 4.400 0.000) 4.511 7.069 ( -4.887 -1.597 0.000) 5.141 7.069 ( -4.887 1.597 0.000) 5.141 ======================= Grid point 14 (9/27) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.732 ( -6.549 -9.625 0.000) 11.642 0.732 ( 6.549 -9.625 0.000) 11.642 0.732 ( -6.549 9.625 0.000) 11.642 0.732 ( 6.549 9.625 0.000) 11.642 0.931 ( -9.698 -6.919 0.000) 11.913 0.931 ( 9.698 -6.919 0.000) 11.913 0.931 ( -9.698 6.919 0.000) 11.913 0.931 ( 9.698 6.919 0.000) 11.913 1.123 ( -1.385 -3.089 0.000) 3.385 1.123 ( 1.385 -3.089 0.000) 3.385 1.123 ( -1.385 3.089 0.000) 3.385 1.123 ( 1.385 3.089 0.000) 3.385 1.193 ( -1.377 -2.196 0.000) 2.592 1.193 ( 1.377 -2.196 0.000) 2.592 1.193 ( -1.377 2.196 0.000) 2.592 1.193 ( 1.377 2.196 0.000) 2.592 1.266 ( -1.992 -0.604 0.000) 2.081 1.266 ( -1.992 0.604 0.000) 2.081 1.266 ( 1.992 -0.604 0.000) 2.081 1.266 ( 1.992 0.604 0.000) 2.081 1.377 ( -4.547 -2.514 0.000) 5.196 1.377 ( 4.547 -2.514 0.000) 5.196 1.377 ( -4.547 2.514 0.000) 5.196 1.377 ( 4.547 2.514 0.000) 5.196 1.419 ( -3.383 -2.178 0.000) 4.024 1.419 ( 3.383 -2.178 0.000) 4.024 1.419 ( -3.383 2.178 0.000) 4.024 1.419 ( 3.383 2.178 0.000) 4.024 1.533 ( -2.511 -2.423 0.000) 3.490 1.533 ( 2.511 -2.423 0.000) 3.490 1.533 ( -2.511 2.423 0.000) 3.490 1.533 ( 2.511 2.423 0.000) 3.490 1.597 ( -1.474 -2.042 0.000) 2.518 1.597 ( 1.474 -2.042 0.000) 2.518 1.597 ( -1.474 2.042 0.000) 2.518 1.597 ( 1.474 2.042 0.000) 2.518 1.667 ( -1.477 -0.830 0.000) 1.694 1.667 ( 1.477 -0.830 0.000) 1.694 1.667 ( -1.477 0.830 0.000) 1.694 1.667 ( 1.477 0.830 0.000) 1.694 1.745 ( -1.273 -0.505 0.000) 1.370 1.745 ( -1.273 0.505 0.000) 1.370 1.745 ( 1.273 -0.505 0.000) 1.370 1.745 ( 1.273 0.505 0.000) 1.370 1.798 ( -2.850 -0.677 0.000) 2.929 1.798 ( -2.850 0.677 0.000) 2.929 1.798 ( 2.850 -0.677 0.000) 2.929 1.798 ( 2.850 0.677 0.000) 2.929 1.823 ( -0.745 -1.126 0.000) 1.350 1.823 ( 0.745 -1.126 0.000) 1.350 1.823 ( -0.745 1.126 0.000) 1.350 1.823 ( 0.745 1.126 0.000) 1.350 1.906 ( -0.690 -1.015 0.000) 1.227 1.906 ( 0.690 -1.015 0.000) 1.227 1.906 ( -0.690 1.015 0.000) 1.227 1.906 ( 0.690 1.015 0.000) 1.227 1.962 ( -0.033 -3.934 0.000) 3.934 1.962 ( 0.033 -3.934 0.000) 3.934 1.962 ( -0.033 3.934 0.000) 3.934 1.962 ( 0.033 3.934 0.000) 3.934 2.064 ( -2.609 -1.721 0.000) 3.126 2.064 ( 2.609 -1.721 0.000) 3.126 2.064 ( -2.609 1.721 0.000) 3.126 2.064 ( 2.609 1.721 0.000) 3.126 2.156 ( -0.907 -1.719 0.000) 1.944 2.156 ( 0.907 -1.719 0.000) 1.944 2.156 ( -0.907 1.719 0.000) 1.944 2.156 ( 0.907 1.719 0.000) 1.944 2.235 ( -7.564 -2.274 0.000) 7.898 2.235 ( -7.564 2.274 0.000) 7.898 2.235 ( 7.564 -2.274 0.000) 7.898 2.235 ( 7.564 2.274 0.000) 7.898 2.297 ( -2.954 -2.468 0.000) 3.849 2.297 ( 2.954 -2.468 0.000) 3.849 2.297 ( -2.954 2.468 0.000) 3.849 2.297 ( 2.954 2.468 0.000) 3.849 2.362 ( -0.749 -1.467 0.000) 1.647 2.362 ( 0.749 -1.467 0.000) 1.647 2.362 ( -0.749 1.467 0.000) 1.647 2.362 ( 0.749 1.467 0.000) 1.647 2.469 ( -2.265 -0.827 0.000) 2.412 2.469 ( -2.265 0.827 0.000) 2.412 2.469 ( 2.265 -0.827 0.000) 2.412 2.469 ( 2.265 0.827 0.000) 2.412 2.555 ( -4.206 -2.809 0.000) 5.058 2.555 ( 4.206 -2.809 0.000) 5.058 2.555 ( -4.206 2.809 0.000) 5.058 2.555 ( 4.206 2.809 0.000) 5.058 2.610 ( -1.983 -0.676 0.000) 2.095 2.610 ( -1.983 0.676 0.000) 2.095 2.610 ( 1.983 -0.676 0.000) 2.095 2.610 ( 1.983 0.676 0.000) 2.095 2.744 ( -2.966 -2.572 0.000) 3.926 2.744 ( 2.966 -2.572 0.000) 3.926 2.744 ( -2.966 2.572 0.000) 3.926 2.744 ( 2.966 2.572 0.000) 3.926 2.788 ( -2.868 -1.316 0.000) 3.155 2.788 ( -2.868 1.316 0.000) 3.155 2.788 ( 2.868 -1.316 0.000) 3.155 2.788 ( 2.868 1.316 0.000) 3.155 2.908 ( -2.101 -0.576 0.000) 2.179 2.908 ( -2.101 0.576 0.000) 2.179 2.908 ( 2.101 -0.576 0.000) 2.179 2.908 ( 2.101 0.576 0.000) 2.179 2.946 ( -2.828 -0.447 0.000) 2.863 2.946 ( -2.828 0.447 0.000) 2.863 2.946 ( 2.828 -0.447 0.000) 2.863 2.946 ( 2.828 0.447 0.000) 2.863 3.057 ( -0.090 -0.784 0.000) 0.789 3.057 ( 0.090 -0.784 0.000) 0.789 3.057 ( -0.090 0.784 0.000) 0.789 3.057 ( 0.090 0.784 0.000) 0.789 3.088 ( -0.009 -2.150 0.000) 2.150 3.088 ( 0.009 -2.150 0.000) 2.150 3.088 ( -0.009 2.150 0.000) 2.150 3.088 ( 0.009 2.150 0.000) 2.150 3.184 ( -0.778 -1.581 0.000) 1.762 3.184 ( 0.778 -1.581 0.000) 1.762 3.184 ( -0.778 1.581 0.000) 1.762 3.184 ( 0.778 1.581 0.000) 1.762 3.248 ( -1.300 -2.138 0.000) 2.502 3.248 ( 1.300 -2.138 0.000) 2.502 3.248 ( -1.300 2.138 0.000) 2.502 3.248 ( 1.300 2.138 0.000) 2.502 3.289 ( -1.010 -0.764 0.000) 1.267 3.289 ( 1.010 -0.764 0.000) 1.267 3.289 ( -1.010 0.764 0.000) 1.267 3.289 ( 1.010 0.764 0.000) 1.267 3.345 ( -0.870 -1.144 0.000) 1.437 3.345 ( 0.870 -1.144 0.000) 1.437 3.345 ( -0.870 1.144 0.000) 1.437 3.345 ( 0.870 1.144 0.000) 1.437 3.544 ( -2.157 -2.828 0.000) 3.556 3.544 ( 2.157 -2.828 0.000) 3.556 3.544 ( -2.157 2.828 0.000) 3.556 3.544 ( 2.157 2.828 0.000) 3.556 3.850 ( -5.039 -0.307 0.000) 5.048 3.850 ( -5.039 0.307 0.000) 5.048 3.850 ( 5.039 -0.307 0.000) 5.048 3.850 ( 5.039 0.307 0.000) 5.048 3.890 ( -3.676 -0.670 0.000) 3.737 3.890 ( -3.676 0.670 0.000) 3.737 3.890 ( 3.676 -0.670 0.000) 3.737 3.890 ( 3.676 0.670 0.000) 3.737 4.229 ( -1.509 -1.142 0.000) 1.892 4.229 ( 1.509 -1.142 0.000) 1.892 4.229 ( -1.509 1.142 0.000) 1.892 4.229 ( 1.509 1.142 0.000) 1.892 4.283 ( -2.215 -1.769 0.000) 2.835 4.283 ( 2.215 -1.769 0.000) 2.835 4.283 ( -2.215 1.769 0.000) 2.835 4.283 ( 2.215 1.769 0.000) 2.835 4.950 ( -0.850 -0.116 0.000) 0.858 4.950 ( -0.850 0.116 0.000) 0.858 4.950 ( 0.850 -0.116 0.000) 0.858 4.950 ( 0.850 0.116 0.000) 0.858 4.989 ( -1.006 -0.801 0.000) 1.286 4.989 ( 1.006 -0.801 0.000) 1.286 4.989 ( -1.006 0.801 0.000) 1.286 4.989 ( 1.006 0.801 0.000) 1.286 5.118 ( -0.544 -0.229 0.000) 0.590 5.118 ( -0.544 0.229 0.000) 0.590 5.118 ( 0.544 -0.229 0.000) 0.590 5.118 ( 0.544 0.229 0.000) 0.590 5.183 ( -1.737 -0.104 0.000) 1.740 5.183 ( -1.737 0.104 0.000) 1.740 5.183 ( 1.737 -0.104 0.000) 1.740 5.183 ( 1.737 0.104 0.000) 1.740 5.346 ( -1.177 -0.257 0.000) 1.204 5.346 ( -1.177 0.257 0.000) 1.204 5.346 ( 1.177 -0.257 0.000) 1.204 5.346 ( 1.177 0.257 0.000) 1.204 5.509 ( -2.731 -0.339 0.000) 2.752 5.509 ( -2.731 0.339 0.000) 2.752 5.509 ( 2.731 -0.339 0.000) 2.752 5.509 ( 2.731 0.339 0.000) 2.752 5.553 ( -0.969 -1.029 0.000) 1.414 5.553 ( 0.969 -1.029 0.000) 1.414 5.553 ( -0.969 1.029 0.000) 1.414 5.553 ( 0.969 1.029 0.000) 1.414 5.746 ( -1.277 -0.406 0.000) 1.340 5.746 ( -1.277 0.406 0.000) 1.340 5.746 ( 1.277 -0.406 0.000) 1.340 5.746 ( 1.277 0.406 0.000) 1.340 5.858 ( -1.185 -0.327 0.000) 1.229 5.858 ( -1.185 0.327 0.000) 1.229 5.858 ( 1.185 -0.327 0.000) 1.229 5.858 ( 1.185 0.327 0.000) 1.229 5.933 ( -3.657 -1.021 0.000) 3.797 5.933 ( -3.657 1.021 0.000) 3.797 5.933 ( 3.657 -1.021 0.000) 3.797 5.933 ( 3.657 1.021 0.000) 3.797 6.087 ( -0.201 -0.768 0.000) 0.794 6.087 ( 0.201 -0.768 0.000) 0.794 6.087 ( -0.201 0.768 0.000) 0.794 6.087 ( 0.201 0.768 0.000) 0.794 6.205 ( -1.901 -3.051 0.000) 3.595 6.205 ( 1.901 -3.051 0.000) 3.595 6.205 ( -1.901 3.051 0.000) 3.595 6.205 ( 1.901 3.051 0.000) 3.595 6.695 ( -0.699 -1.768 0.000) 1.901 6.695 ( 0.699 -1.768 0.000) 1.901 6.695 ( -0.699 1.768 0.000) 1.901 6.695 ( 0.699 1.768 0.000) 1.901 6.715 ( -0.480 -1.843 0.000) 1.905 6.715 ( 0.480 -1.843 0.000) 1.905 6.715 ( -0.480 1.843 0.000) 1.905 6.715 ( 0.480 1.843 0.000) 1.905 6.886 ( -1.223 -3.005 0.000) 3.244 6.886 ( 1.223 -3.005 0.000) 3.244 6.886 ( -1.223 3.005 0.000) 3.244 6.886 ( 1.223 3.005 0.000) 3.244 6.967 ( -4.492 -2.716 0.000) 5.249 6.967 ( 4.492 -2.716 0.000) 5.249 6.967 ( -4.492 2.716 0.000) 5.249 6.967 ( 4.492 2.716 0.000) 5.249 ======================= Grid point 25 (10/27) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.312 ( 0.000 0.000 16.284) 16.284 0.330 ( 0.000 0.000 16.966) 16.966 0.600 ( 0.000 0.000 29.977) 29.977 0.897 ( 0.000 0.000 -11.437) 11.437 0.905 ( 0.000 0.000 -11.060) 11.060 0.987 ( 0.000 0.000 2.222) 2.222 1.020 ( 0.000 0.000 4.151) 4.151 1.065 ( 0.000 0.000 0.208) 0.208 1.090 ( 0.000 0.000 -0.186) 0.186 1.102 ( 0.000 0.000 1.138) 1.138 1.119 ( 0.000 0.000 4.934) 4.934 1.169 ( 0.000 0.000 1.618) 1.618 1.194 ( 0.000 0.000 -0.403) 0.403 1.199 ( 0.000 0.000 1.927) 1.927 1.223 ( 0.000 0.000 -0.412) 0.412 1.236 ( 0.000 0.000 -0.720) 0.720 1.272 ( 0.000 0.000 2.448) 2.448 1.287 ( 0.000 0.000 -0.473) 0.473 1.300 ( 0.000 0.000 4.755) 4.755 1.321 ( 0.000 0.000 0.559) 0.559 1.332 ( 0.000 0.000 -2.506) 2.506 1.333 ( 0.000 0.000 0.417) 0.417 1.359 ( 0.000 0.000 1.694) 1.694 1.362 ( 0.000 0.000 -0.854) 0.854 1.379 ( 0.000 0.000 0.819) 0.819 1.389 ( 0.000 0.000 -3.646) 3.646 1.428 ( 0.000 0.000 2.315) 2.315 1.478 ( 0.000 0.000 1.196) 1.196 1.485 ( 0.000 0.000 6.453) 6.453 1.508 ( 0.000 0.000 -2.727) 2.727 1.512 ( 0.000 0.000 -1.766) 1.766 1.531 ( 0.000 0.000 0.492) 0.492 1.563 ( 0.000 0.000 -1.097) 1.097 1.571 ( 0.000 0.000 0.676) 0.676 1.585 ( 0.000 0.000 -1.441) 1.441 1.586 ( 0.000 0.000 -0.886) 0.886 1.592 ( 0.000 0.000 0.871) 0.871 1.622 ( 0.000 0.000 0.292) 0.292 1.654 ( 0.000 0.000 -13.561) 13.561 1.667 ( 0.000 0.000 0.553) 0.553 1.676 ( 0.000 0.000 -5.667) 5.667 1.681 ( 0.000 0.000 0.047) 0.047 1.694 ( 0.000 0.000 3.136) 3.136 1.767 ( 0.000 0.000 -2.819) 2.819 1.780 ( 0.000 0.000 4.700) 4.700 1.785 ( 0.000 0.000 -0.765) 0.765 1.797 ( 0.000 0.000 -2.456) 2.456 1.804 ( 0.000 0.000 3.257) 3.257 1.811 ( 0.000 0.000 5.961) 5.961 1.813 ( 0.000 0.000 -3.250) 3.250 1.835 ( 0.000 0.000 -1.177) 1.177 1.845 ( 0.000 0.000 -3.481) 3.481 1.891 ( 0.000 0.000 -1.400) 1.400 1.894 ( 0.000 0.000 2.909) 2.909 1.898 ( 0.000 0.000 0.088) 0.088 1.961 ( 0.000 0.000 1.649) 1.649 1.965 ( 0.000 0.000 -2.818) 2.818 1.969 ( 0.000 0.000 2.410) 2.410 1.982 ( 0.000 0.000 7.148) 7.148 2.006 ( 0.000 0.000 2.324) 2.324 2.010 ( 0.000 0.000 2.548) 2.548 2.031 ( 0.000 0.000 -1.070) 1.070 2.058 ( 0.000 0.000 -0.125) 0.125 2.069 ( 0.000 0.000 2.189) 2.189 2.092 ( 0.000 0.000 -4.743) 4.743 2.151 ( 0.000 0.000 -3.702) 3.702 2.154 ( 0.000 0.000 0.468) 0.468 2.180 ( 0.000 0.000 -5.887) 5.887 2.206 ( 0.000 0.000 1.955) 1.955 2.219 ( 0.000 0.000 3.473) 3.473 2.276 ( 0.000 0.000 -3.875) 3.875 2.287 ( 0.000 0.000 0.209) 0.209 2.292 ( 0.000 0.000 1.707) 1.707 2.293 ( 0.000 0.000 -1.597) 1.597 2.314 ( 0.000 0.000 0.016) 0.016 2.329 ( 0.000 0.000 -0.455) 0.455 2.337 ( 0.000 0.000 -0.263) 0.263 2.345 ( 0.000 0.000 -0.767) 0.767 2.360 ( 0.000 0.000 -2.341) 2.341 2.396 ( 0.000 0.000 0.218) 0.218 2.403 ( 0.000 0.000 1.447) 1.447 2.436 ( 0.000 0.000 -4.951) 4.951 2.485 ( 0.000 0.000 5.136) 5.136 2.486 ( 0.000 0.000 3.785) 3.785 2.503 ( 0.000 0.000 -2.595) 2.595 2.503 ( 0.000 0.000 2.141) 2.141 2.532 ( 0.000 0.000 2.571) 2.571 2.569 ( 0.000 0.000 1.385) 1.385 2.607 ( 0.000 0.000 -5.272) 5.272 2.630 ( 0.000 0.000 -2.829) 2.829 2.633 ( 0.000 0.000 -5.737) 5.737 2.649 ( 0.000 0.000 -2.129) 2.129 2.650 ( 0.000 0.000 5.430) 5.430 2.690 ( 0.000 0.000 0.134) 0.134 2.739 ( 0.000 0.000 -2.481) 2.481 2.747 ( 0.000 0.000 1.639) 1.639 2.765 ( 0.000 0.000 0.379) 0.379 2.775 ( 0.000 0.000 -7.757) 7.757 2.803 ( 0.000 0.000 -0.514) 0.514 2.810 ( 0.000 0.000 -1.733) 1.733 2.904 ( 0.000 0.000 -0.598) 0.598 2.927 ( 0.000 0.000 -6.174) 6.174 2.942 ( 0.000 0.000 5.209) 5.209 2.982 ( 0.000 0.000 -0.369) 0.369 2.987 ( 0.000 0.000 6.576) 6.576 2.994 ( 0.000 0.000 2.054) 2.054 3.012 ( 0.000 0.000 2.301) 2.301 3.030 ( 0.000 0.000 1.085) 1.085 3.037 ( 0.000 0.000 -0.766) 0.766 3.071 ( 0.000 0.000 1.299) 1.299 3.096 ( 0.000 0.000 -1.438) 1.438 3.100 ( 0.000 0.000 -1.736) 1.736 3.106 ( 0.000 0.000 3.628) 3.628 3.142 ( 0.000 0.000 -0.066) 0.066 3.153 ( 0.000 0.000 -3.036) 3.036 3.162 ( 0.000 0.000 1.867) 1.867 3.178 ( 0.000 0.000 -3.640) 3.640 3.222 ( 0.000 0.000 -0.977) 0.977 3.227 ( 0.000 0.000 0.696) 0.696 3.258 ( 0.000 0.000 -1.964) 1.964 3.261 ( 0.000 0.000 0.708) 0.708 3.261 ( 0.000 0.000 -1.246) 1.246 3.277 ( 0.000 0.000 -2.450) 2.450 3.300 ( 0.000 0.000 -0.381) 0.381 3.312 ( 0.000 0.000 2.317) 2.317 3.355 ( 0.000 0.000 3.297) 3.297 3.363 ( 0.000 0.000 0.614) 0.614 3.383 ( 0.000 0.000 2.506) 2.506 3.393 ( 0.000 0.000 -2.334) 2.334 3.406 ( 0.000 0.000 -1.119) 1.119 3.519 ( 0.000 0.000 0.649) 0.649 3.520 ( 0.000 0.000 1.233) 1.233 3.523 ( 0.000 0.000 1.314) 1.314 3.575 ( 0.000 0.000 -0.929) 0.929 3.579 ( 0.000 0.000 1.168) 1.168 3.627 ( 0.000 0.000 -1.066) 1.066 3.649 ( 0.000 0.000 0.483) 0.483 3.704 ( 0.000 0.000 -1.284) 1.284 3.735 ( 0.000 0.000 2.168) 2.168 3.835 ( 0.000 0.000 -2.570) 2.570 3.886 ( 0.000 0.000 0.546) 0.546 3.905 ( 0.000 0.000 0.859) 0.859 3.919 ( 0.000 0.000 0.036) 0.036 3.921 ( 0.000 0.000 -0.842) 0.842 4.055 ( 0.000 0.000 0.909) 0.909 4.092 ( 0.000 0.000 -0.610) 0.610 4.092 ( 0.000 0.000 0.658) 0.658 4.120 ( 0.000 0.000 -0.566) 0.566 4.276 ( 0.000 0.000 0.013) 0.013 4.277 ( 0.000 0.000 -0.015) 0.015 4.280 ( 0.000 0.000 0.683) 0.683 4.308 ( 0.000 0.000 -0.468) 0.468 4.921 ( 0.000 0.000 0.660) 0.660 4.923 ( 0.000 0.000 0.481) 0.481 4.960 ( 0.000 0.000 -0.893) 0.893 4.971 ( 0.000 0.000 -1.429) 1.429 4.990 ( 0.000 0.000 1.367) 1.367 5.020 ( 0.000 0.000 -0.073) 0.073 5.059 ( 0.000 0.000 0.691) 0.691 5.087 ( 0.000 0.000 -0.509) 0.509 5.095 ( 0.000 0.000 2.183) 2.183 5.116 ( 0.000 0.000 2.886) 2.886 5.117 ( 0.000 0.000 0.380) 0.380 5.121 ( 0.000 0.000 1.635) 1.635 5.127 ( 0.000 0.000 -0.062) 0.062 5.140 ( 0.000 0.000 0.252) 0.252 5.190 ( 0.000 0.000 -1.647) 1.647 5.204 ( 0.000 0.000 -0.733) 0.733 5.330 ( 0.000 0.000 0.738) 0.738 5.390 ( 0.000 0.000 -0.493) 0.493 5.390 ( 0.000 0.000 0.682) 0.682 5.401 ( 0.000 0.000 -1.812) 1.812 5.463 ( 0.000 0.000 -1.058) 1.058 5.464 ( 0.000 0.000 4.473) 4.473 5.484 ( 0.000 0.000 -3.583) 3.583 5.496 ( 0.000 0.000 -3.647) 3.647 5.505 ( 0.000 0.000 -5.913) 5.913 5.633 ( 0.000 0.000 4.411) 4.411 5.658 ( 0.000 0.000 -2.607) 2.607 5.696 ( 0.000 0.000 5.954) 5.954 5.698 ( 0.000 0.000 4.060) 4.060 5.764 ( 0.000 0.000 -0.932) 0.932 5.770 ( 0.000 0.000 1.361) 1.361 5.821 ( 0.000 0.000 -1.361) 1.361 5.830 ( 0.000 0.000 0.176) 0.176 5.851 ( 0.000 0.000 -1.018) 1.018 5.869 ( 0.000 0.000 1.193) 1.193 5.890 ( 0.000 0.000 -0.687) 0.687 5.914 ( 0.000 0.000 2.421) 2.421 5.914 ( 0.000 0.000 0.692) 0.692 5.970 ( 0.000 0.000 0.094) 0.094 5.977 ( 0.000 0.000 -0.480) 0.480 6.030 ( 0.000 0.000 -1.156) 1.156 6.031 ( 0.000 0.000 -2.578) 2.578 6.064 ( 0.000 0.000 -0.517) 0.517 6.120 ( 0.000 0.000 -2.587) 2.587 6.131 ( 0.000 0.000 0.222) 0.222 6.135 ( 0.000 0.000 2.696) 2.696 6.157 ( 0.000 0.000 -0.755) 0.755 6.218 ( 0.000 0.000 -1.305) 1.305 6.666 ( 0.000 0.000 -0.024) 0.024 6.666 ( 0.000 0.000 -0.082) 0.082 6.669 ( 0.000 0.000 0.508) 0.508 6.692 ( 0.000 0.000 0.773) 0.773 6.702 ( 0.000 0.000 -0.986) 0.986 6.725 ( 0.000 0.000 -0.438) 0.438 6.779 ( 0.000 0.000 0.460) 0.460 6.781 ( 0.000 0.000 0.403) 0.403 6.808 ( 0.000 0.000 0.008) 0.008 6.809 ( 0.000 0.000 0.309) 0.309 6.814 ( 0.000 0.000 -0.173) 0.173 6.823 ( 0.000 0.000 -0.257) 0.257 6.875 ( 0.000 0.000 0.109) 0.109 6.884 ( 0.000 0.000 -0.227) 0.227 7.058 ( 0.000 0.000 -0.232) 0.232 7.071 ( 0.000 0.000 -0.802) 0.802 ======================= Grid point 26 (11/27) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 11.387 0.000 11.272) 16.023 0.493 ( 13.069 0.000 11.172) 17.193 0.797 ( 13.672 0.000 18.272) 22.821 0.942 ( -3.741 0.000 -4.243) 5.657 0.962 ( 4.943 0.000 -10.280) 11.407 0.991 ( -3.256 0.000 -0.785) 3.350 1.007 ( -0.052 0.000 3.419) 3.419 1.040 ( 1.160 0.000 2.304) 2.580 1.058 ( -8.076 0.000 0.133) 8.077 1.074 ( 1.169 0.000 1.213) 1.684 1.093 ( -0.120 0.000 1.651) 1.656 1.130 ( -0.952 0.000 1.914) 2.138 1.171 ( 2.514 0.000 -1.541) 2.949 1.175 ( -0.723 0.000 0.910) 1.163 1.214 ( -0.908 0.000 -1.469) 1.727 1.219 ( 1.081 0.000 1.450) 1.809 1.260 ( -1.886 0.000 2.174) 2.878 1.289 ( -0.600 0.000 -1.114) 1.266 1.321 ( 0.568 0.000 -0.435) 0.715 1.329 ( -0.457 0.000 0.088) 0.465 1.347 ( 2.212 0.000 5.165) 5.619 1.363 ( 1.520 0.000 -0.208) 1.534 1.370 ( 1.406 0.000 1.015) 1.734 1.399 ( -0.845 0.000 0.717) 1.108 1.412 ( 2.896 0.000 -0.839) 3.015 1.446 ( 3.635 0.000 0.889) 3.742 1.459 ( 1.339 0.000 -0.931) 1.631 1.466 ( 5.154 0.000 0.319) 5.164 1.504 ( -2.386 0.000 1.694) 2.926 1.510 ( 2.111 0.000 2.853) 3.550 1.521 ( -2.660 0.000 0.695) 2.749 1.547 ( 1.829 0.000 0.966) 2.068 1.567 ( 0.428 0.000 -0.902) 0.998 1.572 ( 0.297 0.000 -1.371) 1.402 1.600 ( 3.207 0.000 0.046) 3.207 1.609 ( 1.285 0.000 -0.076) 1.288 1.625 ( 1.747 0.000 1.066) 2.046 1.651 ( 1.771 0.000 -1.350) 2.227 1.667 ( -0.836 0.000 3.783) 3.874 1.678 ( 2.996 0.000 1.301) 3.266 1.683 ( 2.237 0.000 -9.496) 9.756 1.700 ( 1.594 0.000 -4.457) 4.734 1.706 ( 1.346 0.000 1.347) 1.904 1.756 ( -0.957 0.000 -6.951) 7.017 1.765 ( -1.402 0.000 3.883) 4.128 1.773 ( -1.644 0.000 -2.107) 2.673 1.786 ( -0.252 0.000 1.751) 1.769 1.793 ( -2.470 0.000 -0.378) 2.498 1.807 ( -0.112 0.000 -0.967) 0.974 1.828 ( 1.220 0.000 -1.732) 2.118 1.837 ( -1.998 0.000 -2.223) 2.989 1.854 ( -0.624 0.000 3.048) 3.111 1.861 ( 3.973 0.000 -0.939) 4.083 1.876 ( -3.345 0.000 1.871) 3.832 1.901 ( -1.666 0.000 -1.359) 2.149 1.943 ( -1.680 0.000 -3.607) 3.979 1.953 ( 5.121 0.000 3.448) 6.174 1.960 ( 0.743 0.000 1.559) 1.727 1.992 ( 0.585 0.000 1.443) 1.558 2.023 ( 0.795 0.000 -1.221) 1.457 2.032 ( -0.014 0.000 2.066) 2.066 2.064 ( 0.079 0.000 -0.556) 0.561 2.098 ( 0.222 0.000 -3.764) 3.770 2.104 ( 4.356 0.000 6.388) 7.732 2.117 ( -1.112 0.000 -2.816) 3.027 2.135 ( -0.984 0.000 2.496) 2.683 2.156 ( 0.246 0.000 0.874) 0.908 2.191 ( -3.020 0.000 0.330) 3.038 2.201 ( -1.408 0.000 -2.061) 2.496 2.223 ( 3.167 0.000 1.526) 3.515 2.243 ( -1.044 0.000 3.712) 3.856 2.256 ( -1.475 0.000 -4.435) 4.674 2.272 ( -1.292 0.000 0.561) 1.408 2.280 ( -0.299 0.000 -3.455) 3.468 2.305 ( 0.734 0.000 2.383) 2.493 2.331 ( 1.813 0.000 -1.800) 2.555 2.339 ( -1.446 0.000 0.312) 1.479 2.357 ( 1.390 0.000 -2.538) 2.894 2.393 ( -0.137 0.000 0.019) 0.138 2.401 ( 5.921 0.000 -1.100) 6.022 2.435 ( -0.408 0.000 2.022) 2.062 2.452 ( 0.666 0.000 -1.546) 1.683 2.485 ( 0.924 0.000 2.275) 2.455 2.503 ( 1.826 0.000 -0.509) 1.896 2.516 ( 2.360 0.000 1.868) 3.010 2.518 ( 1.340 0.000 -1.925) 2.345 2.548 ( -1.686 0.000 -1.345) 2.156 2.548 ( 1.005 0.000 2.619) 2.806 2.601 ( -2.731 0.000 0.766) 2.837 2.605 ( 0.389 0.000 -2.643) 2.672 2.631 ( 0.141 0.000 -3.017) 3.020 2.659 ( 0.295 0.000 -3.844) 3.855 2.662 ( -2.045 0.000 1.412) 2.485 2.697 ( -0.239 0.000 2.359) 2.371 2.709 ( -1.735 0.000 -0.673) 1.861 2.723 ( 0.378 0.000 -1.054) 1.120 2.748 ( -0.244 0.000 -2.603) 2.615 2.768 ( 0.643 0.000 -3.762) 3.816 2.782 ( -3.379 0.000 0.581) 3.429 2.807 ( -0.693 0.000 -0.681) 0.971 2.883 ( -2.945 0.000 -0.635) 3.013 2.894 ( -3.565 0.000 -5.681) 6.707 2.915 ( -2.809 0.000 -1.038) 2.995 2.943 ( -4.025 0.000 -2.410) 4.691 2.944 ( -3.043 0.000 0.237) 3.052 2.956 ( -4.374 0.000 1.313) 4.567 2.963 ( -3.502 0.000 3.137) 4.702 2.977 ( -1.134 0.000 4.908) 5.037 3.006 ( -6.299 0.000 -0.724) 6.340 3.066 ( -0.130 0.000 0.059) 0.143 3.079 ( 1.381 0.000 1.114) 1.775 3.092 ( 1.011 0.000 2.160) 2.385 3.125 ( -1.562 0.000 -2.682) 3.103 3.126 ( 1.333 0.000 0.248) 1.355 3.136 ( -2.932 0.000 -1.838) 3.461 3.151 ( -0.085 0.000 -0.231) 0.246 3.185 ( -0.018 0.000 0.644) 0.644 3.191 ( -1.366 0.000 1.134) 1.776 3.207 ( -0.864 0.000 -0.511) 1.004 3.232 ( -1.307 0.000 0.435) 1.378 3.237 ( -0.554 0.000 -3.375) 3.420 3.249 ( -1.537 0.000 0.688) 1.684 3.274 ( -0.609 0.000 1.636) 1.746 3.276 ( -1.980 0.000 0.718) 2.106 3.305 ( -0.637 0.000 0.145) 0.653 3.317 ( -2.340 0.000 2.306) 3.285 3.326 ( -5.817 0.000 4.850) 7.573 3.350 ( -1.197 0.000 0.063) 1.199 3.368 ( -3.137 0.000 2.924) 4.289 3.392 ( -1.197 0.000 1.840) 2.195 3.400 ( -1.277 0.000 0.221) 1.296 3.465 ( -3.698 0.000 2.480) 4.452 3.481 ( -3.452 0.000 2.019) 3.999 3.546 ( -6.828 0.000 -1.705) 7.037 3.565 ( 0.102 0.000 -1.126) 1.131 3.576 ( -0.111 0.000 -1.643) 1.646 3.720 ( 5.961 0.000 1.177) 6.076 3.752 ( 3.716 0.000 1.170) 3.896 3.773 ( 4.205 0.000 -0.168) 4.209 3.785 ( 5.618 0.000 -1.504) 5.816 3.885 ( -0.222 0.000 0.059) 0.230 3.893 ( -0.858 0.000 -0.283) 0.904 3.945 ( -0.519 0.000 0.348) 0.625 3.973 ( -2.851 0.000 -1.142) 3.072 4.118 ( 5.372 0.000 0.592) 5.405 4.129 ( 3.815 0.000 0.227) 3.822 4.182 ( 6.170 0.000 0.213) 6.174 4.215 ( 7.047 0.000 -1.090) 7.131 4.262 ( -1.523 0.000 0.574) 1.627 4.291 ( -1.592 0.000 -0.583) 1.695 4.306 ( 1.416 0.000 0.552) 1.520 4.388 ( 2.506 0.000 -5.481) 6.027 4.922 ( 0.389 0.000 0.509) 0.641 4.931 ( 0.674 0.000 0.285) 0.732 4.957 ( -0.314 0.000 -0.734) 0.798 4.962 ( -0.875 0.000 -0.885) 1.244 4.996 ( 0.695 0.000 1.030) 1.243 5.009 ( -0.675 0.000 0.741) 1.002 5.025 ( -1.837 0.000 2.306) 2.948 5.053 ( -1.776 0.000 0.860) 1.974 5.116 ( 0.285 0.000 1.649) 1.674 5.116 ( 0.981 0.000 1.177) 1.532 5.129 ( 0.959 0.000 0.755) 1.220 5.138 ( 0.775 0.000 1.225) 1.450 5.150 ( 1.821 0.000 0.715) 1.956 5.157 ( 0.803 0.000 0.627) 1.019 5.197 ( -0.448 0.000 -1.662) 1.722 5.200 ( -0.397 0.000 -1.044) 1.117 5.319 ( -0.975 0.000 1.298) 1.624 5.326 ( 0.049 0.000 -0.102) 0.113 5.390 ( -1.072 0.000 0.858) 1.373 5.428 ( -1.201 0.000 -2.298) 2.593 5.460 ( 0.124 0.000 -0.504) 0.519 5.461 ( 0.573 0.000 -2.580) 2.643 5.496 ( 2.171 0.000 1.211) 2.486 5.517 ( 1.073 0.000 -0.390) 1.142 5.521 ( 1.056 0.000 -1.751) 2.045 5.558 ( -5.048 0.000 3.275) 6.018 5.601 ( -2.444 0.000 2.180) 3.275 5.665 ( -3.280 0.000 4.295) 5.404 5.698 ( 1.071 0.000 -1.634) 1.954 5.722 ( 1.793 0.000 1.898) 2.612 5.750 ( -1.025 0.000 -1.610) 1.908 5.793 ( -3.173 0.000 -1.068) 3.348 5.814 ( -0.148 0.000 0.063) 0.161 5.859 ( 1.019 0.000 -0.171) 1.034 5.880 ( 0.175 0.000 0.053) 0.183 5.882 ( 0.373 0.000 0.532) 0.650 5.912 ( 0.617 0.000 0.712) 0.942 5.924 ( -1.905 0.000 1.432) 2.383 5.954 ( -0.323 0.000 0.498) 0.594 5.970 ( -2.329 0.000 -0.720) 2.437 6.041 ( 1.051 0.000 -1.105) 1.525 6.060 ( 2.036 0.000 -1.964) 2.829 6.097 ( -0.176 0.000 0.179) 0.251 6.099 ( -2.300 0.000 0.253) 2.314 6.140 ( 4.367 0.000 1.163) 4.519 6.193 ( 2.443 0.000 1.921) 3.107 6.255 ( 6.288 0.000 -3.100) 7.011 6.362 ( 4.563 0.000 -8.720) 9.842 6.664 ( -0.095 0.000 0.072) 0.119 6.667 ( 0.167 0.000 -0.270) 0.317 6.668 ( -0.109 0.000 0.377) 0.393 6.693 ( -0.913 0.000 -0.673) 1.134 6.702 ( 0.945 0.000 0.532) 1.084 6.720 ( 0.315 0.000 0.139) 0.345 6.764 ( -1.609 0.000 0.528) 1.693 6.776 ( -1.530 0.000 0.557) 1.628 6.791 ( -0.233 0.000 -0.246) 0.339 6.800 ( 0.183 0.000 -0.262) 0.320 6.806 ( -0.367 0.000 0.331) 0.494 6.821 ( -0.334 0.000 -0.209) 0.394 6.916 ( 3.110 0.000 0.055) 3.110 6.925 ( 3.119 0.000 -0.330) 3.136 7.038 ( -1.939 0.000 -0.217) 1.951 7.052 ( -2.062 0.000 -1.001) 2.292 ======================= Grid point 27 (12/27) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.708 ( -12.902 0.000 6.919) 14.640 0.708 ( 12.902 0.000 6.919) 14.640 0.774 ( -13.299 0.000 5.405) 14.355 0.774 ( 13.299 0.000 5.405) 14.355 0.990 ( -3.860 0.000 2.457) 4.576 0.990 ( 3.860 0.000 2.457) 4.576 1.033 ( -1.699 0.000 -2.503) 3.025 1.033 ( 1.699 0.000 -2.503) 3.025 1.103 ( -5.612 0.000 -4.672) 7.302 1.103 ( 5.612 0.000 -4.672) 7.302 1.106 ( -1.620 0.000 0.752) 1.787 1.106 ( 1.620 0.000 0.752) 1.787 1.160 ( -3.054 0.000 1.427) 3.371 1.160 ( 3.054 0.000 1.427) 3.371 1.228 ( -1.809 0.000 -3.565) 3.998 1.228 ( 1.809 0.000 -3.565) 3.998 1.280 ( -4.287 0.000 3.238) 5.372 1.280 ( 4.287 0.000 3.238) 5.372 1.323 ( -0.161 0.000 0.825) 0.841 1.323 ( 0.161 0.000 0.825) 0.841 1.369 ( -3.502 0.000 0.864) 3.607 1.369 ( 3.502 0.000 0.864) 3.607 1.412 ( -2.744 0.000 1.831) 3.299 1.412 ( 2.744 0.000 1.831) 3.299 1.426 ( -4.944 0.000 4.062) 6.399 1.426 ( 4.944 0.000 4.062) 6.399 1.484 ( -1.661 0.000 0.724) 1.812 1.484 ( 1.661 0.000 0.724) 1.812 1.533 ( -3.642 0.000 2.660) 4.510 1.533 ( 3.642 0.000 2.660) 4.510 1.561 ( -2.435 0.000 0.047) 2.435 1.561 ( 1.581 0.000 0.414) 1.634 1.561 ( -2.960 0.000 2.368) 3.791 1.561 ( 3.814 0.000 2.736) 4.694 1.617 ( -2.220 0.000 0.152) 2.225 1.617 ( 2.220 0.000 0.152) 2.225 1.659 ( -1.640 0.000 -0.745) 1.801 1.659 ( 1.640 0.000 -0.745) 1.801 1.673 ( -3.533 0.000 1.902) 4.012 1.673 ( 3.533 0.000 1.902) 4.012 1.711 ( -1.389 0.000 -4.501) 4.710 1.711 ( 1.389 0.000 -4.501) 4.710 1.749 ( -2.136 0.000 0.587) 2.215 1.749 ( 2.136 0.000 0.587) 2.215 1.767 ( -1.832 0.000 -3.590) 4.031 1.767 ( 1.832 0.000 -3.590) 4.031 1.793 ( -3.373 0.000 -2.361) 4.117 1.793 ( 3.373 0.000 -2.361) 4.117 1.794 ( -2.667 0.000 -4.031) 4.834 1.794 ( 2.667 0.000 -4.031) 4.834 1.828 ( -1.612 0.000 0.767) 1.786 1.828 ( 1.612 0.000 0.767) 1.786 1.891 ( -6.494 0.000 4.438) 7.865 1.891 ( 6.494 0.000 4.438) 7.865 1.899 ( -0.523 0.000 -3.061) 3.105 1.899 ( 0.523 0.000 -3.061) 3.105 1.967 ( -1.820 0.000 -1.213) 2.187 1.967 ( 1.820 0.000 -1.213) 2.187 2.036 ( -1.525 0.000 0.381) 1.572 2.036 ( 1.525 0.000 0.381) 1.572 2.038 ( -3.512 0.000 -0.689) 3.579 2.038 ( 3.512 0.000 -0.689) 3.579 2.109 ( -2.368 0.000 -0.429) 2.407 2.109 ( 2.368 0.000 -0.429) 2.407 2.121 ( -2.321 0.000 2.710) 3.568 2.121 ( 2.321 0.000 2.710) 3.568 2.174 ( -2.456 0.000 2.556) 3.544 2.174 ( 2.456 0.000 2.556) 3.544 2.193 ( -3.656 0.000 -3.192) 4.854 2.193 ( 3.656 0.000 -3.192) 4.854 2.244 ( -2.376 0.000 -0.010) 2.376 2.244 ( 2.376 0.000 -0.010) 2.376 2.260 ( -0.853 0.000 -3.879) 3.972 2.260 ( 0.853 0.000 -3.879) 3.972 2.342 ( -4.301 0.000 5.057) 6.639 2.342 ( 4.301 0.000 5.057) 6.639 2.366 ( -2.155 0.000 -2.223) 3.096 2.366 ( 2.155 0.000 -2.223) 3.096 2.428 ( -7.553 0.000 3.690) 8.406 2.428 ( 7.553 0.000 3.690) 8.406 2.448 ( -2.668 0.000 -1.272) 2.956 2.448 ( 2.668 0.000 -1.272) 2.956 2.520 ( -2.260 0.000 -0.224) 2.271 2.520 ( 2.260 0.000 -0.224) 2.271 2.521 ( -1.146 0.000 -1.177) 1.643 2.521 ( 1.146 0.000 -1.177) 1.643 2.575 ( -4.855 0.000 1.885) 5.208 2.575 ( 4.855 0.000 1.885) 5.208 2.577 ( -2.571 0.000 1.355) 2.906 2.577 ( 2.571 0.000 1.355) 2.906 2.652 ( -6.215 0.000 1.818) 6.476 2.652 ( 6.215 0.000 1.818) 6.476 2.656 ( -0.658 0.000 -3.564) 3.625 2.656 ( 0.658 0.000 -3.564) 3.625 2.730 ( -5.038 0.000 -1.444) 5.241 2.730 ( 5.038 0.000 -1.444) 5.241 2.770 ( -5.151 0.000 -1.834) 5.468 2.770 ( 5.151 0.000 -1.834) 5.468 2.772 ( -3.168 0.000 -3.382) 4.634 2.772 ( 3.168 0.000 -3.382) 4.634 2.814 ( -3.712 0.000 -1.980) 4.207 2.814 ( 3.712 0.000 -1.980) 4.207 2.851 ( -4.773 0.000 -0.781) 4.836 2.851 ( 4.773 0.000 -0.781) 4.836 2.896 ( -3.318 0.000 -1.423) 3.610 2.896 ( 3.318 0.000 -1.423) 3.610 2.938 ( -2.210 0.000 -1.693) 2.783 2.938 ( 2.210 0.000 -1.693) 2.783 3.008 ( -3.367 0.000 0.657) 3.431 3.008 ( 3.367 0.000 0.657) 3.431 3.095 ( -0.439 0.000 -2.278) 2.320 3.095 ( 0.439 0.000 -2.278) 2.320 3.136 ( -1.083 0.000 -0.405) 1.156 3.136 ( 1.083 0.000 -0.405) 1.156 3.138 ( -2.780 0.000 3.181) 4.224 3.138 ( 2.780 0.000 3.181) 4.224 3.169 ( -2.933 0.000 3.445) 4.524 3.169 ( 2.933 0.000 3.445) 4.524 3.199 ( -1.366 0.000 0.860) 1.614 3.199 ( 1.366 0.000 0.860) 1.614 3.242 ( -1.973 0.000 1.013) 2.218 3.242 ( 1.973 0.000 1.013) 2.218 3.253 ( -1.796 0.000 0.532) 1.873 3.253 ( 1.796 0.000 0.532) 1.873 3.287 ( -1.148 0.000 -0.657) 1.322 3.287 ( 1.148 0.000 -0.657) 1.322 3.317 ( -2.836 0.000 1.393) 3.159 3.317 ( 2.836 0.000 1.393) 3.159 3.360 ( -1.078 0.000 1.082) 1.527 3.360 ( 1.078 0.000 1.082) 1.527 3.412 ( -2.301 0.000 -1.308) 2.647 3.412 ( 2.301 0.000 -1.308) 2.647 3.438 ( -1.434 0.000 2.866) 3.205 3.438 ( 1.434 0.000 2.866) 3.205 3.571 ( -0.313 0.000 -2.004) 2.029 3.571 ( 0.313 0.000 -2.004) 2.029 3.841 ( -2.257 0.000 0.188) 2.265 3.841 ( 2.257 0.000 0.188) 2.265 3.853 ( -3.025 0.000 -0.081) 3.026 3.853 ( 3.025 0.000 -0.081) 3.026 3.867 ( -5.273 0.000 0.751) 5.326 3.867 ( 5.273 0.000 0.751) 5.326 3.895 ( -4.142 0.000 -0.731) 4.206 3.895 ( 4.142 0.000 -0.731) 4.206 4.208 ( -3.363 0.000 0.414) 3.389 4.208 ( 3.363 0.000 0.414) 3.389 4.227 ( -4.439 0.000 -0.280) 4.448 4.227 ( 4.439 0.000 -0.280) 4.448 4.291 ( -3.272 0.000 0.641) 3.334 4.291 ( 3.272 0.000 0.641) 3.334 4.350 ( -5.007 0.000 -2.365) 5.537 4.350 ( 5.007 0.000 -2.365) 5.537 4.939 ( -1.150 0.000 -0.061) 1.152 4.939 ( 1.150 0.000 -0.061) 1.152 4.946 ( -0.734 0.000 -0.185) 0.757 4.946 ( 0.734 0.000 -0.185) 0.757 5.004 ( -0.322 0.000 1.779) 1.808 5.004 ( 0.322 0.000 1.779) 1.808 5.019 ( -1.466 0.000 0.749) 1.647 5.019 ( 1.466 0.000 0.749) 1.647 5.132 ( -1.106 0.000 1.648) 1.985 5.132 ( 1.106 0.000 1.648) 1.985 5.135 ( -0.479 0.000 0.901) 1.020 5.135 ( 0.479 0.000 0.901) 1.020 5.176 ( -1.009 0.000 -0.338) 1.064 5.176 ( 1.009 0.000 -0.338) 1.064 5.183 ( -1.352 0.000 -0.190) 1.365 5.183 ( 1.352 0.000 -0.190) 1.365 5.348 ( -2.089 0.000 -0.588) 2.170 5.348 ( 2.089 0.000 -0.588) 2.170 5.361 ( -3.747 0.000 0.990) 3.876 5.361 ( 3.747 0.000 0.990) 3.876 5.490 ( -2.408 0.000 -2.804) 3.697 5.490 ( 2.408 0.000 -2.804) 3.697 5.499 ( -1.881 0.000 -0.757) 2.027 5.499 ( 1.881 0.000 -0.757) 2.027 5.552 ( -2.182 0.000 2.185) 3.089 5.552 ( 2.182 0.000 2.185) 3.089 5.577 ( -4.364 0.000 0.860) 4.448 5.577 ( 4.364 0.000 0.860) 4.448 5.734 ( -2.382 0.000 -0.795) 2.511 5.734 ( 2.382 0.000 -0.795) 2.511 5.740 ( -0.565 0.000 -1.046) 1.189 5.740 ( 0.565 0.000 -1.046) 1.189 5.861 ( -3.221 0.000 1.456) 3.534 5.861 ( 3.221 0.000 1.456) 3.534 5.878 ( -0.768 0.000 1.026) 1.281 5.878 ( 0.768 0.000 1.026) 1.281 5.916 ( -1.708 0.000 0.773) 1.874 5.916 ( 1.708 0.000 0.773) 1.874 5.933 ( -1.341 0.000 0.182) 1.353 5.933 ( 1.341 0.000 0.182) 1.353 6.066 ( -1.263 0.000 -0.439) 1.337 6.066 ( 1.263 0.000 -0.439) 1.337 6.091 ( -0.818 0.000 -1.366) 1.592 6.091 ( 0.818 0.000 -1.366) 1.592 6.206 ( -1.463 0.000 2.060) 2.527 6.206 ( 1.463 0.000 2.060) 2.527 6.359 ( -3.504 0.000 -4.685) 5.851 6.359 ( 3.504 0.000 -4.685) 5.851 6.665 ( -0.174 0.000 0.166) 0.241 6.665 ( 0.174 0.000 0.166) 0.241 6.676 ( -0.686 0.000 -0.495) 0.846 6.676 ( 0.686 0.000 -0.495) 0.846 6.729 ( -1.616 0.000 0.390) 1.662 6.729 ( 1.616 0.000 0.390) 1.662 6.740 ( -1.510 0.000 0.208) 1.524 6.740 ( 1.510 0.000 0.208) 1.524 6.797 ( -0.469 0.000 0.246) 0.530 6.797 ( 0.469 0.000 0.246) 0.530 6.811 ( -0.615 0.000 -0.227) 0.656 6.811 ( 0.615 0.000 -0.227) 0.656 6.983 ( -3.215 0.000 -0.126) 3.218 6.983 ( 3.215 0.000 -0.126) 3.218 6.994 ( -3.355 0.000 -0.588) 3.406 6.994 ( 3.355 0.000 -0.588) 3.406 ======================= Grid point 30 (13/27) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( 0.000 9.440 12.956) 16.031 0.451 ( 0.000 13.065 10.061) 16.490 0.754 ( 0.000 11.979 18.260) 21.839 0.849 ( 0.000 -6.875 6.220) 9.271 0.935 ( 0.000 1.839 -9.011) 9.197 0.936 ( 0.000 2.053 -5.325) 5.707 0.947 ( 0.000 -7.121 1.907) 7.372 1.045 ( 0.000 -2.856 1.554) 3.251 1.085 ( 0.000 -0.859 -1.585) 1.803 1.103 ( 0.000 0.085 1.648) 1.650 1.141 ( 0.000 2.469 0.177) 2.476 1.170 ( 0.000 -3.303 0.374) 3.324 1.193 ( 0.000 -1.051 4.460) 4.582 1.198 ( 0.000 0.363 -0.635) 0.732 1.202 ( 0.000 0.276 -0.983) 1.021 1.248 ( 0.000 -3.046 -0.469) 3.081 1.251 ( 0.000 0.469 -1.913) 1.970 1.254 ( 0.000 -3.319 1.255) 3.548 1.281 ( 0.000 -2.484 1.583) 2.946 1.283 ( 0.000 -0.300 -0.645) 0.711 1.314 ( 0.000 0.859 -0.817) 1.185 1.323 ( 0.000 -1.737 1.715) 2.441 1.349 ( 0.000 0.910 -1.161) 1.475 1.375 ( 0.000 0.522 -0.025) 0.522 1.397 ( 0.000 -2.021 -0.770) 2.163 1.398 ( 0.000 0.556 0.457) 0.719 1.432 ( 0.000 0.387 0.381) 0.543 1.453 ( 0.000 -0.911 1.428) 1.693 1.467 ( 0.000 -1.065 4.293) 4.423 1.474 ( 0.000 -2.219 1.633) 2.755 1.499 ( 0.000 0.415 -0.935) 1.023 1.532 ( 0.000 -2.381 -1.226) 2.679 1.555 ( 0.000 -1.315 -0.277) 1.344 1.563 ( 0.000 -0.625 0.105) 0.633 1.589 ( 0.000 1.240 3.229) 3.459 1.599 ( 0.000 0.428 -2.874) 2.906 1.612 ( 0.000 0.163 -0.350) 0.386 1.619 ( 0.000 -1.176 0.939) 1.505 1.649 ( 0.000 -1.218 -2.018) 2.357 1.673 ( 0.000 0.365 2.172) 2.203 1.685 ( 0.000 0.860 -4.125) 4.214 1.708 ( 0.000 1.037 0.972) 1.421 1.708 ( 0.000 -2.824 1.992) 3.456 1.733 ( 0.000 2.627 -4.546) 5.251 1.737 ( 0.000 -3.602 2.093) 4.166 1.753 ( 0.000 -1.068 -2.186) 2.433 1.766 ( 0.000 -1.569 2.947) 3.339 1.798 ( 0.000 1.347 -2.851) 3.153 1.816 ( 0.000 -0.543 2.850) 2.901 1.821 ( 0.000 -1.385 0.626) 1.520 1.842 ( 0.000 1.242 -1.231) 1.749 1.854 ( 0.000 2.185 -1.877) 2.881 1.883 ( 0.000 -0.641 2.736) 2.811 1.888 ( 0.000 -1.105 -2.044) 2.324 1.907 ( 0.000 1.058 -0.425) 1.140 1.935 ( 0.000 -2.820 -1.184) 3.059 1.944 ( 0.000 -3.450 0.558) 3.495 1.986 ( 0.000 1.037 2.675) 2.869 1.993 ( 0.000 -1.683 3.061) 3.493 1.996 ( 0.000 2.532 0.714) 2.631 2.012 ( 0.000 0.221 -0.288) 0.363 2.042 ( 0.000 -1.355 0.740) 1.544 2.044 ( 0.000 1.347 0.039) 1.348 2.065 ( 0.000 0.202 -1.244) 1.260 2.086 ( 0.000 0.679 -2.809) 2.890 2.132 ( 0.000 -1.235 -4.600) 4.762 2.161 ( 0.000 0.826 1.565) 1.770 2.178 ( 0.000 0.820 -5.756) 5.814 2.204 ( 0.000 0.333 0.570) 0.660 2.242 ( 0.000 -3.142 1.703) 3.574 2.248 ( 0.000 -2.161 -2.354) 3.196 2.267 ( 0.000 -1.169 -0.362) 1.224 2.269 ( 0.000 -1.639 -3.535) 3.897 2.312 ( 0.000 2.363 -2.104) 3.164 2.313 ( 0.000 0.326 2.067) 2.092 2.331 ( 0.000 1.188 -0.850) 1.460 2.359 ( 0.000 2.136 -1.072) 2.389 2.380 ( 0.000 4.024 1.271) 4.219 2.393 ( 0.000 1.989 -0.437) 2.037 2.418 ( 0.000 -0.715 -1.649) 1.797 2.432 ( 0.000 0.066 0.725) 0.728 2.468 ( 0.000 0.207 1.957) 1.968 2.472 ( 0.000 3.556 -0.729) 3.630 2.486 ( 0.000 0.193 0.805) 0.828 2.517 ( 0.000 2.497 -3.294) 4.134 2.544 ( 0.000 2.467 1.819) 3.066 2.547 ( 0.000 1.321 2.485) 2.814 2.557 ( 0.000 -1.283 4.231) 4.422 2.590 ( 0.000 -1.072 -2.103) 2.360 2.618 ( 0.000 -1.123 -0.886) 1.430 2.643 ( 0.000 1.283 -2.629) 2.926 2.654 ( 0.000 0.790 -0.292) 0.842 2.674 ( 0.000 2.420 -1.827) 3.032 2.712 ( 0.000 2.145 -1.330) 2.524 2.741 ( 0.000 -0.190 3.203) 3.209 2.764 ( 0.000 -1.825 -3.137) 3.629 2.772 ( 0.000 0.189 -3.300) 3.305 2.793 ( 0.000 -0.537 -2.303) 2.365 2.799 ( 0.000 -0.081 -3.642) 3.643 2.801 ( 0.000 1.721 1.404) 2.221 2.882 ( 0.000 -0.704 0.360) 0.790 2.910 ( 0.000 -1.870 2.130) 2.834 2.942 ( 0.000 0.938 -4.284) 4.386 2.963 ( 0.000 -1.301 1.669) 2.117 2.992 ( 0.000 -0.050 3.614) 3.614 3.000 ( 0.000 -1.530 0.663) 1.667 3.015 ( 0.000 1.440 0.902) 1.699 3.022 ( 0.000 0.534 -0.904) 1.050 3.057 ( 0.000 0.584 2.051) 2.132 3.067 ( 0.000 -1.511 -1.316) 2.004 3.085 ( 0.000 -0.148 -0.016) 0.149 3.106 ( 0.000 0.305 2.030) 2.053 3.114 ( 0.000 -0.417 -0.621) 0.748 3.134 ( 0.000 0.429 1.248) 1.319 3.150 ( 0.000 -0.071 1.747) 1.748 3.155 ( 0.000 0.495 -1.700) 1.771 3.190 ( 0.000 0.474 -1.354) 1.435 3.203 ( 0.000 -0.529 0.160) 0.553 3.219 ( 0.000 -1.729 -0.172) 1.738 3.251 ( 0.000 -1.302 -1.087) 1.696 3.258 ( 0.000 1.264 -1.150) 1.708 3.287 ( 0.000 0.562 -2.745) 2.802 3.290 ( 0.000 1.506 -0.323) 1.540 3.312 ( 0.000 0.832 -1.778) 1.963 3.338 ( 0.000 2.466 1.491) 2.882 3.364 ( 0.000 0.011 1.072) 1.072 3.368 ( 0.000 1.302 3.561) 3.791 3.392 ( 0.000 0.482 1.564) 1.637 3.394 ( 0.000 0.350 -0.547) 0.649 3.424 ( 0.000 2.360 -0.290) 2.377 3.498 ( 0.000 -2.335 1.211) 2.630 3.500 ( 0.000 -1.693 0.405) 1.741 3.503 ( 0.000 -2.286 2.274) 3.224 3.546 ( 0.000 -3.431 0.781) 3.519 3.588 ( 0.000 1.103 -1.815) 2.124 3.619 ( 0.000 -0.571 -1.687) 1.781 3.661 ( 0.000 1.231 0.917) 1.535 3.710 ( 0.000 0.549 -0.945) 1.093 3.729 ( 0.000 -0.828 1.682) 1.874 3.756 ( 0.000 -4.267 1.910) 4.675 3.884 ( 0.000 -0.241 0.768) 0.805 3.887 ( 0.000 -0.838 1.222) 1.482 3.925 ( 0.000 0.421 -0.937) 1.028 3.935 ( 0.000 0.380 -1.144) 1.205 4.064 ( 0.000 1.026 0.994) 1.428 4.094 ( 0.000 0.174 -0.385) 0.422 4.095 ( 0.000 0.195 0.493) 0.530 4.111 ( 0.000 -0.914 -0.167) 0.929 4.277 ( 0.000 0.052 0.082) 0.098 4.279 ( 0.000 -0.058 0.550) 0.553 4.282 ( 0.000 0.538 -0.142) 0.556 4.305 ( 0.000 -0.385 -0.471) 0.608 4.915 ( 0.000 -0.329 0.632) 0.713 4.921 ( 0.000 -0.240 0.434) 0.496 4.956 ( 0.000 -0.239 -0.851) 0.884 4.964 ( 0.000 -0.525 -0.873) 1.019 5.000 ( 0.000 0.792 1.235) 1.467 5.031 ( 0.000 1.152 -0.186) 1.167 5.036 ( 0.000 -1.431 2.407) 2.800 5.085 ( 0.000 -0.771 -0.947) 1.221 5.097 ( 0.000 0.229 2.093) 2.105 5.110 ( 0.000 -0.546 2.735) 2.789 5.118 ( 0.000 -0.035 0.514) 0.515 5.119 ( 0.000 -0.214 1.496) 1.511 5.128 ( 0.000 0.024 0.193) 0.195 5.135 ( 0.000 -0.412 0.284) 0.500 5.193 ( 0.000 0.281 -1.588) 1.612 5.203 ( 0.000 -0.148 -1.037) 1.048 5.329 ( 0.000 0.121 0.992) 0.999 5.383 ( 0.000 -1.934 -0.221) 1.946 5.391 ( 0.000 0.036 0.783) 0.784 5.392 ( 0.000 -0.327 0.226) 0.397 5.460 ( 0.000 -0.133 -1.820) 1.825 5.469 ( 0.000 0.382 4.056) 4.074 5.479 ( 0.000 -0.297 -3.581) 3.593 5.495 ( 0.000 -0.121 -2.971) 2.973 5.511 ( 0.000 0.369 -4.970) 4.984 5.572 ( 0.000 -8.717 11.621) 14.527 5.645 ( 0.000 0.325 4.765) 4.776 5.669 ( 0.000 1.102 -1.652) 1.985 5.685 ( 0.000 -1.094 5.798) 5.901 5.702 ( 0.000 -0.309 3.647) 3.660 5.775 ( 0.000 0.624 0.338) 0.710 5.781 ( 0.000 1.547 -1.069) 1.880 5.833 ( 0.000 0.305 0.116) 0.327 5.841 ( 0.000 -1.030 -0.911) 1.375 5.844 ( 0.000 -0.835 -0.759) 1.128 5.858 ( 0.000 -2.732 -1.764) 3.252 5.911 ( 0.000 -0.049 1.171) 1.172 5.912 ( 0.000 -0.177 2.217) 2.224 5.968 ( 0.000 -0.077 0.073) 0.106 5.978 ( 0.000 -0.075 -0.647) 0.652 6.031 ( 0.000 0.244 -1.623) 1.641 6.040 ( 0.000 0.633 -2.193) 2.283 6.056 ( 0.000 -0.819 -0.807) 1.149 6.085 ( 0.000 -1.871 -1.471) 2.380 6.146 ( 0.000 0.215 0.232) 0.316 6.153 ( 0.000 0.068 1.923) 1.925 6.181 ( 0.000 1.983 -1.121) 2.278 6.195 ( 0.000 0.842 -0.004) 0.842 6.669 ( 0.000 -0.016 0.433) 0.434 6.678 ( 0.000 0.378 -0.039) 0.380 6.681 ( 0.000 1.449 -0.050) 1.450 6.683 ( 0.000 1.694 -0.091) 1.697 6.725 ( 0.000 -2.900 0.842) 3.019 6.727 ( 0.000 0.522 0.147) 0.542 6.752 ( 0.000 -3.030 -0.291) 3.044 6.758 ( 0.000 -1.572 -1.034) 1.882 6.831 ( 0.000 2.051 0.408) 2.091 6.849 ( 0.000 3.244 0.451) 3.275 6.850 ( 0.000 1.717 -0.315) 1.745 6.871 ( 0.000 -0.254 -0.094) 0.271 6.884 ( 0.000 0.144 -0.110) 0.181 6.990 ( 0.000 8.644 -9.074) 12.532 7.013 ( 0.000 -3.635 0.714) 3.704 7.083 ( 0.000 0.144 -2.213) 2.218 ======================= Grid point 31 (14/27) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.493 ( 7.744 6.689 10.092) 14.372 0.595 ( 10.691 9.079 9.098) 16.719 0.860 ( 4.779 -2.840 5.973) 8.160 0.909 ( -0.112 -1.571 2.159) 2.673 0.937 ( -1.902 -1.278 -2.452) 3.356 0.971 ( 3.188 1.326 5.083) 6.145 0.986 ( 4.028 -4.446 4.277) 7.368 1.021 ( 2.944 0.988 -4.752) 5.677 1.045 ( -2.236 -2.271 0.687) 3.261 1.076 ( -4.994 1.233 -0.476) 5.166 1.089 ( -2.958 3.220 0.073) 4.373 1.130 ( -1.914 -1.192 -1.900) 2.949 1.153 ( 0.086 -0.032 0.146) 0.173 1.186 ( -1.461 -2.073 -1.839) 3.132 1.214 ( 1.421 2.068 3.526) 4.327 1.226 ( -0.352 -3.425 -1.810) 3.890 1.262 ( -0.246 -1.501 0.148) 1.528 1.269 ( 1.134 -0.999 0.327) 1.546 1.296 ( -0.362 -1.777 -1.232) 2.192 1.314 ( 0.724 1.811 0.084) 1.952 1.336 ( 0.775 -1.698 -1.162) 2.198 1.342 ( 0.493 -0.452 1.439) 1.587 1.377 ( 1.913 -0.746 1.669) 2.646 1.396 ( 0.338 -1.588 0.906) 1.860 1.406 ( 0.954 0.207 2.838) 3.002 1.430 ( 1.253 0.525 -0.567) 1.472 1.445 ( 4.120 -0.965 2.622) 4.978 1.461 ( 3.717 -0.445 1.846) 4.174 1.480 ( 2.372 -0.550 0.081) 2.436 1.501 ( 1.013 -1.771 1.601) 2.593 1.520 ( 1.590 -0.744 0.847) 1.949 1.547 ( 0.170 -0.637 2.084) 2.186 1.570 ( 1.639 1.038 -1.357) 2.368 1.603 ( 1.517 -0.283 -0.246) 1.562 1.606 ( 0.382 0.714 -0.034) 0.811 1.620 ( -0.036 2.777 -0.452) 2.814 1.629 ( 3.199 -1.778 -0.528) 3.697 1.635 ( 1.672 -0.764 1.972) 2.696 1.653 ( 0.699 1.098 -0.479) 1.387 1.674 ( 1.494 -0.101 -0.538) 1.591 1.686 ( -0.056 0.087 -1.514) 1.517 1.719 ( -0.066 -0.544 0.645) 0.847 1.723 ( 0.207 -2.276 2.033) 3.059 1.731 ( -0.303 0.034 -5.628) 5.637 1.746 ( -0.102 -0.617 -0.600) 0.866 1.760 ( 1.178 -1.018 0.891) 1.794 1.777 ( 0.797 -1.870 -0.884) 2.217 1.795 ( 1.316 -0.321 -2.393) 2.750 1.816 ( -1.300 1.810 0.369) 2.259 1.825 ( 1.105 0.976 -0.355) 1.516 1.847 ( -0.280 -0.604 -0.094) 0.673 1.850 ( 1.047 0.118 1.265) 1.647 1.875 ( 0.879 1.754 -0.132) 1.967 1.892 ( -1.074 -0.205 -1.114) 1.561 1.907 ( -0.434 1.732 0.432) 1.837 1.936 ( 1.853 -0.966 2.176) 3.017 1.959 ( 0.993 0.807 -2.177) 2.525 1.969 ( -0.731 0.854 0.061) 1.126 1.983 ( 0.742 0.299 0.437) 0.912 2.011 ( -0.503 -0.965 0.558) 1.223 2.026 ( -0.833 -1.084 -0.062) 1.369 2.052 ( 2.771 -1.699 1.839) 3.735 2.076 ( 0.687 -2.545 -1.234) 2.911 2.094 ( -0.511 0.574 -1.759) 1.920 2.107 ( 1.368 -1.233 -0.613) 1.941 2.133 ( 3.772 0.466 0.787) 3.881 2.161 ( -2.448 0.000 -0.391) 2.479 2.169 ( -1.947 -0.675 0.670) 2.167 2.199 ( 1.181 -2.205 -0.626) 2.578 2.216 ( -1.482 0.740 0.525) 1.737 2.232 ( -0.642 -1.426 -2.015) 2.551 2.239 ( -2.744 1.510 -0.870) 3.250 2.284 ( 1.264 -0.007 -1.717) 2.132 2.302 ( -1.563 0.059 0.755) 1.736 2.305 ( 0.379 1.567 -2.243) 2.762 2.329 ( -1.456 0.656 -2.085) 2.627 2.335 ( 2.063 -1.172 -1.015) 2.580 2.374 ( -1.362 2.232 0.995) 2.798 2.406 ( -0.123 1.577 0.503) 1.660 2.418 ( -0.383 -0.385 1.056) 1.187 2.435 ( -0.935 -0.442 -0.791) 1.302 2.476 ( 0.379 -0.775 -0.038) 0.864 2.485 ( 1.969 -0.194 -1.324) 2.381 2.490 ( 1.728 0.350 0.947) 2.001 2.511 ( -0.261 0.619 -1.413) 1.565 2.545 ( 0.034 2.254 3.587) 4.236 2.552 ( 1.086 1.188 0.013) 1.610 2.562 ( -0.935 -0.634 3.528) 3.704 2.603 ( 1.312 1.203 -2.558) 3.116 2.611 ( 0.664 1.131 1.009) 1.655 2.635 ( -0.274 0.840 -3.283) 3.400 2.648 ( -2.108 -0.648 -0.538) 2.270 2.666 ( -2.629 0.360 0.412) 2.685 2.710 ( 0.184 0.993 1.459) 1.774 2.716 ( -2.074 -2.136 -2.701) 4.020 2.742 ( 1.182 1.339 -2.309) 2.919 2.754 ( -2.619 1.833 -1.313) 3.456 2.762 ( 1.049 0.379 -0.740) 1.339 2.790 ( 0.344 0.162 -4.218) 4.235 2.808 ( -0.656 0.186 -0.297) 0.744 2.874 ( -1.403 -0.924 -1.780) 2.447 2.902 ( -4.135 -1.583 -1.144) 4.573 2.906 ( -3.344 0.432 -3.790) 5.073 2.923 ( -3.191 0.773 0.947) 3.417 2.937 ( -3.768 0.430 -1.120) 3.954 2.958 ( -4.409 -0.130 0.863) 4.494 2.980 ( -2.054 0.365 -0.413) 2.127 3.015 ( -4.245 2.118 2.957) 5.590 3.021 ( -2.577 0.957 0.614) 2.816 3.056 ( 0.238 -0.170 0.724) 0.781 3.073 ( 1.259 -0.759 1.346) 1.993 3.093 ( -1.942 -0.801 -0.191) 2.109 3.105 ( 0.287 -0.383 0.834) 0.961 3.134 ( 0.144 -0.460 -1.147) 1.244 3.137 ( 0.113 1.810 0.796) 1.980 3.160 ( -0.343 -1.095 0.735) 1.363 3.175 ( -0.638 -1.127 0.924) 1.591 3.186 ( 0.096 0.132 -1.276) 1.286 3.200 ( -2.606 1.144 -0.567) 2.902 3.216 ( -0.662 -0.824 0.122) 1.065 3.238 ( -1.466 -0.772 -0.768) 1.826 3.263 ( -1.999 0.887 -2.183) 3.090 3.268 ( -1.364 -0.308 0.393) 1.452 3.286 ( -1.935 -1.090 0.492) 2.274 3.311 ( -2.061 2.127 2.634) 3.963 3.329 ( -2.993 0.771 0.655) 3.159 3.348 ( -3.699 0.800 2.664) 4.628 3.358 ( -3.287 1.553 3.204) 4.845 3.375 ( -2.752 0.469 1.382) 3.115 3.382 ( -1.408 -0.062 1.650) 2.170 3.433 ( 0.183 2.325 -0.088) 2.333 3.446 ( -3.236 -1.301 3.096) 4.664 3.464 ( -3.372 -1.772 1.854) 4.237 3.549 ( 0.155 -1.816 -1.160) 2.160 3.552 ( -4.876 0.779 -2.368) 5.476 3.576 ( -0.876 -0.053 -2.090) 2.266 3.727 ( 5.699 0.723 1.192) 5.867 3.749 ( 4.367 -0.299 1.200) 4.539 3.780 ( 4.637 0.514 -0.606) 4.705 3.787 ( 5.155 0.214 -1.123) 5.280 3.883 ( 0.232 0.388 0.501) 0.675 3.909 ( -0.863 1.228 -0.573) 1.607 3.933 ( -0.512 -1.249 0.386) 1.404 3.960 ( -1.439 -1.250 -0.974) 2.141 4.130 ( 5.306 1.229 0.515) 5.470 4.138 ( 3.944 0.831 0.200) 4.035 4.174 ( 5.636 -0.780 0.267) 5.696 4.197 ( 6.184 -1.735 -0.562) 6.447 4.268 ( -0.967 0.545 0.361) 1.167 4.291 ( -1.054 0.070 -0.533) 1.184 4.298 ( 0.764 -0.755 0.329) 1.123 4.344 ( 2.207 -3.372 -2.522) 4.754 4.920 ( 0.638 -0.013 0.334) 0.720 4.929 ( 0.718 -0.192 0.226) 0.776 4.955 ( -0.232 -0.175 -0.747) 0.802 4.959 ( -0.616 -0.286 -0.782) 1.036 5.001 ( 0.322 0.401 1.248) 1.350 5.016 ( -0.902 0.718 0.780) 1.392 5.019 ( -1.102 -0.495 2.287) 2.587 5.049 ( -1.862 -0.503 0.775) 2.079 5.114 ( 0.561 -0.100 1.410) 1.521 5.115 ( 0.838 -0.147 1.269) 1.528 5.128 ( 0.711 0.085 1.143) 1.349 5.139 ( 0.961 -0.084 0.995) 1.386 5.149 ( 1.663 -0.021 0.633) 1.779 5.154 ( 1.195 -0.343 0.528) 1.351 5.196 ( -0.348 -0.039 -1.539) 1.578 5.200 ( -0.419 -0.095 -1.115) 1.195 5.319 ( -0.621 -0.023 1.043) 1.214 5.324 ( -0.266 -0.181 0.272) 0.421 5.392 ( -1.165 0.311 1.361) 1.818 5.429 ( -2.368 -0.155 -0.824) 2.512 5.446 ( 1.502 -1.138 -0.762) 2.033 5.457 ( -0.038 -0.862 -2.670) 2.806 5.499 ( 1.469 0.378 1.628) 2.225 5.513 ( 1.616 -0.299 1.061) 1.956 5.521 ( 0.795 0.020 -3.665) 3.751 5.541 ( -1.412 -0.854 1.409) 2.170 5.608 ( -2.563 0.765 2.397) 3.591 5.654 ( -3.214 -1.210 3.865) 5.170 5.701 ( 1.488 0.464 -1.339) 2.055 5.721 ( 1.537 -0.203 1.319) 2.035 5.761 ( -1.298 0.979 -1.568) 2.259 5.786 ( -2.036 -0.429 -0.662) 2.184 5.816 ( 0.188 0.281 0.251) 0.421 5.858 ( 0.919 -0.555 0.654) 1.257 5.864 ( 2.895 -1.349 -0.018) 3.194 5.872 ( 0.970 -0.689 0.186) 1.205 5.903 ( 0.203 -0.450 1.732) 1.801 5.916 ( -0.790 -1.058 1.432) 1.948 5.954 ( -0.044 0.805 0.457) 0.927 5.974 ( -1.792 0.231 -1.104) 2.118 6.047 ( 1.279 0.481 -1.184) 1.808 6.060 ( 1.698 0.303 -1.375) 2.206 6.095 ( 0.397 -0.469 0.626) 0.877 6.107 ( 0.023 -0.903 0.050) 0.905 6.142 ( 2.026 0.649 0.475) 2.180 6.166 ( 2.575 -0.710 -0.663) 2.752 6.222 ( 3.841 -4.827 -0.887) 6.232 6.254 ( 2.689 -2.214 -1.450) 3.773 6.670 ( 0.057 -0.048 0.294) 0.304 6.677 ( -0.049 0.889 -0.049) 0.892 6.678 ( -0.276 1.298 0.036) 1.327 6.681 ( -0.149 1.543 -0.042) 1.550 6.724 ( 0.144 -1.022 0.231) 1.058 6.733 ( 0.297 -0.924 0.566) 1.124 6.745 ( -0.328 -2.127 -0.393) 2.187 6.757 ( -0.445 -1.564 -0.460) 1.690 6.826 ( -0.033 2.685 0.167) 2.691 6.837 ( -0.338 2.510 -0.305) 2.551 6.844 ( -0.487 3.309 0.364) 3.365 6.899 ( 1.233 0.625 -1.076) 1.752 6.918 ( 2.754 -0.815 -0.389) 2.899 6.929 ( -3.081 6.073 -3.000) 7.442 7.000 ( -1.545 -2.901 0.070) 3.287 7.056 ( -2.625 -0.457 -1.988) 3.325 ======================= Grid point 32 (15/27) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.693 ( -10.301 1.150 7.077) 12.551 0.693 ( 10.301 1.150 7.077) 12.551 0.846 ( -10.832 5.886 4.832) 13.241 0.846 ( 10.832 5.886 4.832) 13.241 0.947 ( -2.876 -6.778 2.439) 7.756 0.947 ( 2.876 -6.778 2.439) 7.756 1.024 ( -2.302 -0.292 -2.627) 3.505 1.024 ( 2.302 -0.292 -2.627) 3.505 1.063 ( -3.732 -2.788 -2.709) 5.389 1.063 ( 3.732 -2.788 -2.709) 5.389 1.123 ( -3.327 1.702 -1.908) 4.196 1.123 ( 3.327 1.702 -1.908) 4.196 1.137 ( -2.533 0.597 -0.447) 2.641 1.137 ( 2.533 0.597 -0.447) 2.641 1.213 ( -1.672 -5.853 0.571) 6.114 1.213 ( 1.672 -5.853 0.571) 6.114 1.284 ( -0.967 1.542 -0.566) 1.907 1.284 ( 0.967 1.542 -0.566) 1.907 1.308 ( -2.256 -1.925 1.035) 3.141 1.308 ( 2.256 -1.925 1.035) 3.141 1.354 ( -1.546 0.777 3.148) 3.592 1.354 ( 1.546 0.777 3.148) 3.592 1.388 ( -1.669 -1.238 0.761) 2.213 1.388 ( 1.669 -1.238 0.761) 2.213 1.465 ( -0.575 0.611 0.041) 0.840 1.465 ( 0.575 0.611 0.041) 0.840 1.494 ( -0.591 1.688 1.599) 2.399 1.494 ( 0.591 1.688 1.599) 2.399 1.524 ( -0.315 -1.513 4.219) 4.493 1.524 ( 0.315 -1.513 4.219) 4.493 1.546 ( -2.926 -0.954 2.255) 3.815 1.546 ( 2.926 -0.954 2.255) 3.815 1.572 ( -0.396 1.290 1.044) 1.706 1.572 ( 0.396 1.290 1.044) 1.706 1.623 ( -0.873 2.959 1.471) 3.418 1.623 ( 0.873 2.959 1.471) 3.418 1.649 ( -1.343 0.077 -1.279) 1.856 1.649 ( 1.343 0.077 -1.279) 1.856 1.673 ( -0.583 -0.027 -2.855) 2.914 1.673 ( 0.583 -0.027 -2.855) 2.914 1.730 ( -0.627 -2.731 -1.418) 3.140 1.730 ( 0.627 -2.731 -1.418) 3.140 1.745 ( -1.093 1.071 0.013) 1.531 1.745 ( 1.093 1.071 0.013) 1.531 1.754 ( -0.869 -0.605 -0.830) 1.345 1.754 ( 0.869 -0.605 -0.830) 1.345 1.775 ( -2.516 -0.994 -1.883) 3.296 1.775 ( 2.516 -0.994 -1.883) 3.296 1.823 ( -1.379 0.713 -1.039) 1.868 1.823 ( 1.379 0.713 -1.039) 1.868 1.849 ( -0.967 2.436 -0.262) 2.634 1.849 ( 0.967 2.436 -0.262) 2.634 1.892 ( -1.946 -0.487 0.451) 2.056 1.892 ( 1.946 -0.487 0.451) 2.056 1.915 ( -2.364 1.996 2.108) 3.744 1.915 ( 2.364 1.996 2.108) 3.744 1.986 ( -1.510 0.463 -2.303) 2.792 1.986 ( 1.510 0.463 -2.303) 2.792 2.012 ( -0.259 -1.369 -1.254) 1.874 2.012 ( 0.259 -1.369 -1.254) 1.874 2.031 ( -3.387 0.196 3.161) 4.637 2.031 ( 3.387 0.196 3.161) 4.637 2.081 ( -0.509 -2.406 -0.058) 2.460 2.081 ( 0.509 -2.406 -0.058) 2.460 2.132 ( -2.149 -0.104 -1.808) 2.810 2.132 ( 2.149 -0.104 -1.808) 2.810 2.168 ( -1.104 1.032 0.774) 1.698 2.168 ( 1.104 1.032 0.774) 1.698 2.201 ( -0.482 -0.984 -2.915) 3.115 2.201 ( 0.482 -0.984 -2.915) 3.115 2.236 ( -2.634 1.315 2.228) 3.692 2.236 ( 2.634 1.315 2.228) 3.692 2.273 ( -3.480 -0.906 -1.593) 3.933 2.273 ( 3.480 -0.906 -1.593) 3.933 2.308 ( -3.330 -0.880 -0.287) 3.457 2.308 ( 3.330 -0.880 -0.287) 3.457 2.361 ( -2.324 -1.942 0.934) 3.169 2.361 ( 2.324 -1.942 0.934) 3.169 2.399 ( -3.527 -1.487 0.623) 3.878 2.399 ( 3.527 -1.487 0.623) 3.878 2.451 ( -2.864 -0.678 -0.398) 2.970 2.451 ( 2.864 -0.678 -0.398) 2.970 2.506 ( -0.498 0.272 -0.635) 0.851 2.506 ( 0.498 0.272 -0.635) 0.851 2.530 ( -0.068 -0.777 2.188) 2.323 2.530 ( 0.068 -0.777 2.188) 2.323 2.561 ( -2.451 0.560 -0.537) 2.571 2.561 ( 2.451 0.560 -0.537) 2.571 2.602 ( -1.087 1.452 -0.464) 1.872 2.602 ( 1.087 1.452 -0.464) 1.872 2.648 ( -1.113 -0.057 1.856) 2.165 2.648 ( 1.113 -0.057 1.856) 2.165 2.704 ( -3.342 2.869 -1.300) 4.592 2.704 ( 3.342 2.869 -1.300) 4.592 2.729 ( -3.307 -0.204 -1.422) 3.606 2.729 ( 3.307 -0.204 -1.422) 3.606 2.753 ( -2.553 -0.108 -3.406) 4.258 2.753 ( 2.553 -0.108 -3.406) 4.258 2.782 ( -5.656 -0.145 0.010) 5.658 2.782 ( 5.656 -0.145 0.010) 5.658 2.833 ( -0.336 1.693 -4.356) 4.686 2.833 ( 0.336 1.693 -4.356) 4.686 2.868 ( -2.804 0.190 -1.313) 3.102 2.868 ( 2.804 0.190 -1.313) 3.102 2.888 ( -3.869 0.744 -1.386) 4.176 2.888 ( 3.869 0.744 -1.386) 4.176 2.935 ( -1.431 -0.333 -1.865) 2.374 2.935 ( 1.431 -0.333 -1.865) 2.374 3.036 ( -2.210 2.339 1.712) 3.645 3.036 ( 2.210 2.339 1.712) 3.645 3.085 ( -0.648 -1.151 0.110) 1.326 3.085 ( 0.648 -1.151 0.110) 1.326 3.116 ( -1.964 -0.381 0.756) 2.139 3.116 ( 1.964 -0.381 0.756) 2.139 3.148 ( -0.777 -1.036 0.449) 1.371 3.148 ( 0.777 -1.036 0.449) 1.371 3.167 ( -0.930 1.107 0.628) 1.576 3.167 ( 0.930 1.107 0.628) 1.576 3.211 ( -1.877 0.219 1.048) 2.161 3.211 ( 1.877 0.219 1.048) 2.161 3.230 ( -1.144 -0.329 1.681) 2.060 3.230 ( 1.144 -0.329 1.681) 2.060 3.268 ( -1.678 0.022 0.606) 1.784 3.268 ( 1.678 0.022 0.606) 1.784 3.283 ( -0.825 0.295 -0.166) 0.892 3.283 ( 0.825 0.295 -0.166) 0.892 3.307 ( -2.568 -0.807 0.538) 2.745 3.307 ( 2.568 -0.807 0.538) 2.745 3.356 ( -0.839 0.672 2.033) 2.300 3.356 ( 0.839 0.672 2.033) 2.300 3.409 ( -0.635 -1.480 3.363) 3.728 3.409 ( 0.635 -1.480 3.363) 3.728 3.467 ( -2.838 3.233 -1.423) 4.531 3.467 ( 2.838 3.233 -1.423) 4.531 3.561 ( -0.655 -1.187 -2.104) 2.503 3.561 ( 0.655 -1.187 -2.104) 2.503 3.845 ( -1.945 0.452 0.324) 2.023 3.845 ( 1.945 0.452 0.324) 2.023 3.858 ( -2.730 0.274 0.356) 2.767 3.858 ( 2.730 0.274 0.356) 2.767 3.873 ( -3.995 0.535 0.054) 4.032 3.873 ( 3.995 0.535 0.054) 4.032 3.891 ( -4.058 -0.297 -0.675) 4.125 3.891 ( 4.058 -0.297 -0.675) 4.125 4.215 ( -2.589 0.736 0.463) 2.732 4.215 ( 2.589 0.736 0.463) 2.732 4.233 ( -3.024 0.624 -0.181) 3.093 4.233 ( 3.024 0.624 -0.181) 3.093 4.280 ( -2.679 -1.004 0.329) 2.880 4.280 ( 2.679 -1.004 0.329) 2.880 4.320 ( -4.013 -2.750 -1.564) 5.110 4.320 ( 4.013 -2.750 -1.564) 5.110 4.940 ( -1.064 0.058 -0.187) 1.082 4.940 ( 1.064 0.058 -0.187) 1.082 4.945 ( -0.675 -0.121 -0.260) 0.733 4.945 ( 0.675 -0.121 -0.260) 0.733 5.006 ( -0.031 0.245 1.636) 1.655 5.006 ( 0.031 0.245 1.636) 1.655 5.017 ( -1.222 -0.217 0.964) 1.571 5.017 ( 1.222 -0.217 0.964) 1.571 5.131 ( -0.229 -0.077 1.462) 1.482 5.131 ( 0.229 -0.077 1.462) 1.482 5.133 ( -0.487 -0.126 1.204) 1.305 5.133 ( 0.487 -0.126 1.204) 1.305 5.178 ( -1.031 0.156 -0.399) 1.116 5.178 ( 1.031 0.156 -0.399) 1.116 5.183 ( -1.295 -0.065 -0.281) 1.326 5.183 ( 1.295 -0.065 -0.281) 1.326 5.346 ( -2.177 -0.098 -0.137) 2.184 5.346 ( 2.177 -0.098 -0.137) 2.184 5.356 ( -3.388 -0.471 1.064) 3.582 5.356 ( 3.388 -0.471 1.064) 3.582 5.486 ( -1.617 -0.168 -2.873) 3.301 5.486 ( 1.617 -0.168 -2.873) 3.301 5.498 ( -1.706 -0.279 -1.821) 2.511 5.498 ( 1.706 -0.279 -1.821) 2.511 5.555 ( -1.780 0.392 2.268) 2.910 5.555 ( 1.780 0.392 2.268) 2.910 5.574 ( -3.382 -0.347 1.128) 3.582 5.574 ( 3.382 -0.347 1.128) 3.582 5.736 ( -1.912 0.279 -0.469) 1.988 5.736 ( 1.912 0.279 -0.469) 1.988 5.743 ( -1.090 0.160 -0.827) 1.378 5.743 ( 1.090 0.160 -0.827) 1.378 5.864 ( -2.431 0.373 1.359) 2.810 5.864 ( 2.431 0.373 1.359) 2.810 5.878 ( -0.834 -0.125 1.209) 1.474 5.878 ( 0.834 -0.125 1.209) 1.474 5.919 ( -2.304 0.377 0.398) 2.368 5.919 ( 2.304 0.377 0.398) 2.368 5.937 ( -1.608 0.140 -0.210) 1.628 5.937 ( 1.608 0.140 -0.210) 1.628 6.073 ( -1.046 0.704 -0.243) 1.284 6.073 ( 1.046 0.704 -0.243) 1.284 6.095 ( -0.880 0.450 -0.746) 1.238 6.095 ( 0.880 0.450 -0.746) 1.238 6.190 ( -1.006 -1.360 1.025) 1.978 6.190 ( 1.006 -1.360 1.025) 1.978 6.276 ( -0.835 -6.151 -2.399) 6.655 6.276 ( 0.835 -6.151 -2.399) 6.655 6.672 ( -0.217 0.595 0.149) 0.651 6.672 ( 0.217 0.595 0.149) 0.651 6.678 ( -0.110 1.376 -0.077) 1.383 6.678 ( 0.110 1.376 -0.077) 1.383 6.732 ( -0.520 -0.950 0.274) 1.117 6.732 ( 0.520 -0.950 0.274) 1.117 6.745 ( -0.416 -0.924 -0.182) 1.030 6.745 ( 0.416 -0.924 -0.182) 1.030 6.832 ( -0.481 2.661 0.137) 2.708 6.832 ( 0.481 2.661 0.137) 2.708 6.854 ( -2.008 5.147 -0.952) 5.606 6.854 ( 2.008 5.147 -0.952) 5.606 6.957 ( -2.425 -2.278 0.112) 3.329 6.957 ( 2.425 -2.278 0.112) 3.329 6.987 ( -3.726 -1.133 -1.099) 4.046 6.987 ( 3.726 -1.133 -1.099) 4.046 ======================= Grid point 35 (16/27) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( 0.000 -10.411 8.353) 13.348 0.628 ( 0.000 10.411 8.353) 13.348 0.721 ( 0.000 -12.977 7.790) 15.135 0.721 ( 0.000 12.977 7.790) 15.135 0.980 ( 0.000 -6.043 -2.214) 6.435 0.980 ( 0.000 6.043 -2.214) 6.435 1.018 ( 0.000 -0.267 -4.502) 4.510 1.018 ( 0.000 0.267 -4.502) 4.510 1.076 ( 0.000 -2.275 -0.716) 2.385 1.076 ( 0.000 2.275 -0.716) 2.385 1.120 ( 0.000 -2.502 1.926) 3.158 1.120 ( 0.000 2.502 1.926) 3.158 1.193 ( 0.000 -2.427 -0.098) 2.429 1.193 ( 0.000 2.427 -0.098) 2.429 1.196 ( 0.000 -2.053 2.952) 3.595 1.196 ( 0.000 2.053 2.952) 3.595 1.247 ( 0.000 -0.386 1.872) 1.912 1.247 ( 0.000 0.386 1.872) 1.912 1.265 ( 0.000 -2.075 -0.221) 2.087 1.265 ( 0.000 2.075 -0.221) 2.087 1.323 ( 0.000 -0.606 -0.834) 1.031 1.323 ( 0.000 0.606 -0.834) 1.031 1.351 ( 0.000 -0.244 0.315) 0.399 1.351 ( 0.000 0.244 0.315) 0.399 1.394 ( 0.000 -1.038 -1.011) 1.450 1.394 ( 0.000 1.038 -1.011) 1.450 1.433 ( 0.000 -0.684 1.071) 1.271 1.433 ( 0.000 0.684 1.071) 1.271 1.460 ( 0.000 -2.104 2.238) 3.072 1.460 ( 0.000 2.104 2.238) 3.072 1.481 ( 0.000 -0.911 1.089) 1.419 1.481 ( 0.000 0.911 1.089) 1.419 1.570 ( 0.000 -0.413 0.501) 0.649 1.570 ( 0.000 0.413 0.501) 0.649 1.594 ( 0.000 -0.867 -0.572) 1.038 1.594 ( 0.000 0.867 -0.572) 1.038 1.614 ( 0.000 -2.041 -1.555) 2.566 1.614 ( 0.000 2.041 -1.555) 2.566 1.639 ( 0.000 -3.612 3.925) 5.334 1.639 ( 0.000 3.612 3.925) 5.334 1.686 ( 0.000 -1.044 4.578) 4.695 1.686 ( 0.000 1.044 4.578) 4.695 1.707 ( 0.000 -2.914 0.174) 2.919 1.707 ( 0.000 2.914 0.174) 2.919 1.738 ( 0.000 -1.177 -2.696) 2.942 1.738 ( 0.000 1.177 -2.696) 2.942 1.801 ( 0.000 -1.640 1.598) 2.290 1.801 ( 0.000 1.640 1.598) 2.290 1.831 ( 0.000 -0.092 -2.865) 2.867 1.831 ( 0.000 0.092 -2.865) 2.867 1.872 ( 0.000 -0.323 4.464) 4.476 1.872 ( 0.000 0.323 4.464) 4.476 1.877 ( 0.000 -0.450 -2.735) 2.772 1.877 ( 0.000 0.450 -2.735) 2.772 1.895 ( 0.000 -0.977 -4.482) 4.588 1.895 ( 0.000 0.977 -4.482) 4.588 1.933 ( 0.000 -3.123 -1.806) 3.608 1.933 ( 0.000 3.123 -1.806) 3.608 2.002 ( 0.000 -0.463 2.903) 2.940 2.002 ( 0.000 0.463 2.903) 2.940 2.037 ( 0.000 -0.909 0.101) 0.914 2.037 ( 0.000 0.909 0.101) 0.914 2.072 ( 0.000 -4.662 -1.932) 5.047 2.072 ( 0.000 4.662 -1.932) 5.047 2.093 ( 0.000 -0.644 -2.723) 2.798 2.093 ( 0.000 0.644 -2.723) 2.798 2.179 ( 0.000 -1.256 -1.378) 1.864 2.179 ( 0.000 1.256 -1.378) 1.864 2.216 ( 0.000 -0.134 0.174) 0.220 2.216 ( 0.000 0.134 0.174) 0.220 2.241 ( 0.000 -0.145 -4.473) 4.476 2.241 ( 0.000 0.145 -4.473) 4.476 2.274 ( 0.000 -3.704 -2.341) 4.381 2.274 ( 0.000 3.704 -2.341) 4.381 2.345 ( 0.000 -2.482 1.800) 3.066 2.345 ( 0.000 2.482 1.800) 3.066 2.391 ( 0.000 -2.070 0.017) 2.070 2.391 ( 0.000 2.070 0.017) 2.070 2.419 ( 0.000 -0.230 -0.914) 0.943 2.419 ( 0.000 0.230 -0.914) 0.943 2.452 ( 0.000 -2.967 1.212) 3.205 2.452 ( 0.000 2.967 1.212) 3.205 2.502 ( 0.000 -1.878 1.743) 2.562 2.502 ( 0.000 1.878 1.743) 2.562 2.542 ( 0.000 -0.702 -2.176) 2.287 2.542 ( 0.000 0.702 -2.176) 2.287 2.563 ( 0.000 -0.170 2.194) 2.200 2.563 ( 0.000 0.170 2.194) 2.200 2.600 ( 0.000 -1.364 -0.214) 1.381 2.600 ( 0.000 1.364 -0.214) 1.381 2.667 ( 0.000 -0.408 -1.097) 1.171 2.667 ( 0.000 0.408 -1.097) 1.171 2.720 ( 0.000 -1.462 0.875) 1.704 2.720 ( 0.000 1.462 0.875) 1.704 2.737 ( 0.000 -2.465 -1.732) 3.012 2.737 ( 0.000 2.465 -1.732) 3.012 2.767 ( 0.000 -2.740 -1.889) 3.329 2.767 ( 0.000 2.740 -1.889) 3.329 2.809 ( 0.000 -0.781 -0.616) 0.995 2.809 ( 0.000 0.781 -0.616) 0.995 2.891 ( 0.000 -0.877 -0.566) 1.044 2.891 ( 0.000 0.877 -0.566) 1.044 2.950 ( 0.000 -0.146 0.279) 0.315 2.950 ( 0.000 0.146 0.279) 0.315 2.981 ( 0.000 -0.269 0.288) 0.394 2.981 ( 0.000 0.269 0.288) 0.394 3.031 ( 0.000 -0.037 -1.031) 1.032 3.031 ( 0.000 0.037 -1.031) 1.032 3.064 ( 0.000 -0.816 0.805) 1.146 3.064 ( 0.000 0.816 0.805) 1.146 3.082 ( 0.000 -1.040 1.782) 2.064 3.082 ( 0.000 1.040 1.782) 2.064 3.124 ( 0.000 -0.305 1.495) 1.526 3.124 ( 0.000 0.305 1.495) 1.526 3.165 ( 0.000 -0.154 0.782) 0.797 3.165 ( 0.000 0.154 0.782) 0.797 3.196 ( 0.000 -0.600 -1.308) 1.439 3.196 ( 0.000 0.600 -1.308) 1.439 3.216 ( 0.000 -1.832 -0.416) 1.879 3.216 ( 0.000 1.832 -0.416) 1.879 3.281 ( 0.000 -1.080 -1.773) 2.076 3.281 ( 0.000 1.080 -1.773) 2.076 3.314 ( 0.000 -0.845 -1.801) 1.990 3.314 ( 0.000 0.845 -1.801) 1.990 3.365 ( 0.000 -0.062 1.893) 1.894 3.365 ( 0.000 0.062 1.893) 1.894 3.394 ( 0.000 -1.232 1.054) 1.622 3.394 ( 0.000 1.232 1.054) 1.622 3.433 ( 0.000 -4.090 3.892) 5.646 3.433 ( 0.000 4.090 3.892) 5.646 3.466 ( 0.000 -0.785 0.039) 0.786 3.466 ( 0.000 0.785 0.039) 0.786 3.489 ( 0.000 -2.236 -0.433) 2.278 3.489 ( 0.000 2.236 -0.433) 2.278 3.607 ( 0.000 -0.843 -2.570) 2.705 3.607 ( 0.000 0.843 -2.570) 2.705 3.692 ( 0.000 -2.128 1.845) 2.816 3.692 ( 0.000 2.128 1.845) 2.816 3.723 ( 0.000 -0.867 -0.051) 0.869 3.723 ( 0.000 0.867 -0.051) 0.869 3.880 ( 0.000 -0.048 1.125) 1.126 3.880 ( 0.000 0.048 1.125) 1.126 3.934 ( 0.000 -0.426 -1.144) 1.220 3.934 ( 0.000 0.426 -1.144) 1.220 4.088 ( 0.000 -1.327 0.543) 1.434 4.088 ( 0.000 1.327 0.543) 1.434 4.097 ( 0.000 -0.132 0.134) 0.188 4.097 ( 0.000 0.132 0.134) 0.188 4.278 ( 0.000 -0.085 0.289) 0.301 4.278 ( 0.000 0.085 0.289) 0.301 4.294 ( 0.000 -0.696 -0.369) 0.788 4.294 ( 0.000 0.696 -0.369) 0.788 4.915 ( 0.000 -0.271 0.392) 0.476 4.915 ( 0.000 0.271 0.392) 0.476 4.956 ( 0.000 -0.240 -0.718) 0.757 4.956 ( 0.000 0.240 -0.718) 0.757 5.015 ( 0.000 -0.942 2.025) 2.233 5.015 ( 0.000 0.942 2.025) 2.233 5.059 ( 0.000 -1.746 -0.485) 1.812 5.059 ( 0.000 1.746 -0.485) 1.812 5.102 ( 0.000 -0.285 2.047) 2.067 5.102 ( 0.000 0.285 2.047) 2.067 5.117 ( 0.000 -0.028 1.197) 1.197 5.117 ( 0.000 0.028 1.197) 1.197 5.129 ( 0.000 -0.179 0.313) 0.361 5.129 ( 0.000 0.179 0.313) 0.361 5.199 ( 0.000 -0.309 -1.405) 1.438 5.199 ( 0.000 0.309 -1.405) 1.438 5.342 ( 0.000 -1.494 1.730) 2.285 5.342 ( 0.000 1.494 1.730) 2.285 5.391 ( 0.000 -0.030 0.691) 0.691 5.391 ( 0.000 0.030 0.691) 0.691 5.465 ( 0.000 -0.508 -2.338) 2.392 5.465 ( 0.000 0.508 -2.338) 2.392 5.486 ( 0.000 -0.806 2.787) 2.901 5.486 ( 0.000 0.806 2.787) 2.901 5.515 ( 0.000 -0.349 -2.173) 2.201 5.515 ( 0.000 0.349 -2.173) 2.201 5.662 ( 0.000 -1.188 5.421) 5.549 5.662 ( 0.000 1.188 5.421) 5.549 5.692 ( 0.000 -1.024 1.351) 1.695 5.692 ( 0.000 1.024 1.351) 1.695 5.797 ( 0.000 -1.677 -2.691) 3.171 5.797 ( 0.000 1.677 -2.691) 3.171 5.816 ( 0.000 -1.291 -0.499) 1.384 5.816 ( 0.000 1.291 -0.499) 1.384 5.841 ( 0.000 -0.442 -0.017) 0.442 5.841 ( 0.000 0.442 -0.017) 0.442 5.910 ( 0.000 -0.001 1.677) 1.677 5.910 ( 0.000 0.001 1.677) 1.677 5.972 ( 0.000 -0.440 -0.461) 0.638 5.972 ( 0.000 0.440 -0.461) 0.638 6.040 ( 0.000 -0.739 -1.417) 1.598 6.040 ( 0.000 0.739 -1.417) 1.598 6.057 ( 0.000 -1.207 -1.722) 2.103 6.057 ( 0.000 1.207 -1.722) 2.103 6.150 ( 0.000 -0.249 1.533) 1.553 6.150 ( 0.000 0.249 1.533) 1.553 6.206 ( 0.000 -0.350 -0.946) 1.009 6.206 ( 0.000 0.350 -0.946) 1.009 6.680 ( 0.000 -1.441 0.686) 1.596 6.680 ( 0.000 1.441 0.686) 1.596 6.702 ( 0.000 -2.133 -0.115) 2.136 6.702 ( 0.000 2.133 -0.115) 2.136 6.715 ( 0.000 -1.542 0.053) 1.543 6.715 ( 0.000 1.542 0.053) 1.543 6.721 ( 0.000 -2.189 -0.274) 2.206 6.721 ( 0.000 2.189 -0.274) 2.206 6.859 ( 0.000 -1.012 0.095) 1.017 6.859 ( 0.000 1.012 0.095) 1.017 6.873 ( 0.000 -0.669 -0.417) 0.789 6.873 ( 0.000 0.669 -0.417) 0.789 6.934 ( 0.000 -4.705 1.434) 4.919 6.934 ( 0.000 4.705 1.434) 4.919 7.070 ( 0.000 -1.747 -4.963) 5.261 7.070 ( 0.000 1.747 -4.963) 5.261 ======================= Grid point 37 (17/27) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.675 ( 4.136 -11.152 6.434) 13.523 0.675 ( 4.136 11.152 6.434) 13.523 0.794 ( 6.313 -10.676 6.707) 14.101 0.794 ( 6.313 10.676 6.707) 14.101 0.921 ( -4.335 -1.871 1.061) 4.839 0.921 ( -4.335 1.871 1.061) 4.839 1.036 ( -1.542 -4.993 -4.941) 7.192 1.036 ( -1.542 4.993 -4.941) 7.192 1.084 ( 1.057 -2.123 3.890) 4.556 1.084 ( 1.057 2.123 3.890) 4.556 1.115 ( 0.735 -3.072 -5.715) 6.530 1.115 ( 0.735 3.072 -5.715) 6.530 1.144 ( -2.814 -1.089 -2.648) 4.015 1.144 ( -2.814 1.089 -2.648) 4.015 1.210 ( -1.359 -3.831 0.824) 4.148 1.210 ( -1.359 3.831 0.824) 4.148 1.271 ( 1.385 -1.573 0.071) 2.097 1.271 ( 1.385 1.573 0.071) 2.097 1.290 ( 2.012 -3.240 2.786) 4.724 1.290 ( 2.012 3.240 2.786) 4.724 1.318 ( -0.367 -1.787 2.326) 2.956 1.318 ( -0.367 1.787 2.326) 2.956 1.376 ( 0.613 -1.737 1.465) 2.354 1.376 ( 0.613 1.737 1.465) 2.354 1.432 ( 4.768 -1.539 0.719) 5.062 1.432 ( 4.768 1.539 0.719) 5.062 1.459 ( 2.700 -1.296 0.110) 2.997 1.459 ( 2.700 1.296 0.110) 2.997 1.473 ( 1.643 -1.080 1.242) 2.326 1.473 ( 1.643 1.080 1.242) 2.326 1.510 ( 1.846 -2.417 4.129) 5.129 1.510 ( 1.846 2.417 4.129) 5.129 1.582 ( 2.256 -0.383 0.778) 2.417 1.582 ( 2.256 0.383 0.778) 2.417 1.623 ( 0.762 -2.131 -0.307) 2.284 1.623 ( 0.762 2.131 -0.307) 2.284 1.630 ( 1.333 -1.436 -0.745) 2.096 1.630 ( 1.333 1.436 -0.745) 2.096 1.662 ( 2.244 -2.263 0.767) 3.278 1.662 ( 2.244 2.263 0.767) 3.278 1.698 ( 0.370 -1.266 -0.595) 1.447 1.698 ( 0.370 1.266 -0.595) 1.447 1.713 ( 1.178 -2.353 2.134) 3.388 1.713 ( 1.178 2.353 2.134) 3.388 1.741 ( 0.070 -0.710 -2.559) 2.657 1.741 ( 0.070 0.710 -2.559) 2.657 1.796 ( -1.064 -3.455 0.648) 3.673 1.796 ( -1.064 3.455 0.648) 3.673 1.816 ( 0.210 -1.459 -1.209) 1.907 1.816 ( 0.210 1.459 -1.209) 1.907 1.860 ( -0.482 -1.656 0.231) 1.741 1.860 ( -0.482 1.656 0.231) 1.741 1.894 ( 1.926 -2.227 -0.262) 2.956 1.894 ( 1.926 2.227 -0.262) 2.956 1.921 ( 0.696 -2.803 -0.137) 2.891 1.921 ( 0.696 2.803 -0.137) 2.891 1.967 ( 1.334 -2.165 -2.063) 3.275 1.967 ( 1.334 2.165 -2.063) 3.275 2.008 ( -0.873 -0.693 2.047) 2.331 2.008 ( -0.873 0.693 2.047) 2.331 2.023 ( 1.384 -1.352 -0.215) 1.947 2.023 ( 1.384 1.352 -0.215) 1.947 2.049 ( 0.044 -3.308 -1.367) 3.580 2.049 ( 0.044 3.308 -1.367) 3.580 2.123 ( 0.351 -2.353 -2.991) 3.822 2.123 ( 0.351 2.353 -2.991) 3.822 2.172 ( 0.561 -0.560 -0.891) 1.193 2.172 ( 0.561 0.560 -0.891) 1.193 2.198 ( -1.396 -2.616 2.160) 3.669 2.198 ( -1.396 2.616 2.160) 3.669 2.250 ( -1.246 -2.697 -2.219) 3.708 2.250 ( -1.246 2.697 -2.219) 3.708 2.287 ( 0.466 -1.011 -3.234) 3.420 2.287 ( 0.466 1.011 -3.234) 3.420 2.323 ( 0.136 -0.153 -0.231) 0.309 2.323 ( 0.136 0.153 -0.231) 0.309 2.364 ( -1.526 -2.727 -0.613) 3.184 2.364 ( -1.526 2.727 -0.613) 3.184 2.410 ( -2.940 -0.832 1.043) 3.229 2.410 ( -2.940 0.832 1.043) 3.229 2.447 ( -0.502 -2.271 1.225) 2.629 2.447 ( -0.502 2.271 1.225) 2.629 2.502 ( 0.422 -1.109 -2.285) 2.575 2.502 ( 0.422 1.109 -2.285) 2.575 2.520 ( -0.486 -2.760 2.744) 3.922 2.520 ( -0.486 2.760 2.744) 3.922 2.571 ( 0.276 -0.406 1.878) 1.941 2.571 ( 0.276 0.406 1.878) 1.941 2.625 ( 2.057 -0.329 0.779) 2.224 2.625 ( 2.057 0.329 0.779) 2.224 2.656 ( -2.140 -1.151 0.432) 2.468 2.656 ( -2.140 1.151 0.432) 2.468 2.672 ( -2.158 -2.344 -2.673) 4.159 2.672 ( -2.158 2.344 -2.673) 4.159 2.733 ( -0.011 -1.435 -1.617) 2.162 2.733 ( -0.011 1.435 -1.617) 2.162 2.772 ( 1.510 -1.558 -2.164) 3.064 2.772 ( 1.510 1.558 -2.164) 3.064 2.804 ( 0.462 -1.460 -2.524) 2.952 2.804 ( 0.462 1.460 -2.524) 2.952 2.868 ( -4.290 -1.101 -0.950) 4.530 2.868 ( -4.290 1.101 -0.950) 4.530 2.925 ( -3.410 -0.387 -1.481) 3.738 2.925 ( -3.410 0.387 -1.481) 3.738 2.954 ( -3.138 -0.671 0.340) 3.227 2.954 ( -3.138 0.671 0.340) 3.227 2.998 ( -2.165 -1.803 -1.310) 3.107 2.998 ( -2.165 1.803 -1.310) 3.107 3.052 ( -0.590 -0.909 2.116) 2.377 3.052 ( -0.590 0.909 2.116) 2.377 3.079 ( -0.559 -1.398 1.384) 2.045 3.079 ( -0.559 1.398 1.384) 2.045 3.108 ( 0.597 -1.001 2.116) 2.416 3.108 ( 0.597 1.001 2.116) 2.416 3.149 ( -1.853 -0.851 0.386) 2.075 3.149 ( -1.853 0.851 0.386) 2.075 3.184 ( 0.379 -1.134 -1.608) 2.004 3.184 ( 0.379 1.134 -1.608) 2.004 3.212 ( -0.603 -1.163 -2.265) 2.617 3.212 ( -0.603 1.163 -2.265) 2.617 3.242 ( -2.235 -2.227 0.897) 3.280 3.242 ( -2.235 2.227 0.897) 3.280 3.273 ( -2.645 -0.128 0.293) 2.665 3.273 ( -2.645 0.128 0.293) 2.665 3.334 ( -3.535 -0.687 1.923) 4.082 3.334 ( -3.535 0.687 1.923) 4.082 3.369 ( -2.933 -1.261 -0.184) 3.198 3.369 ( -2.933 1.261 -0.184) 3.198 3.385 ( -1.666 -1.720 4.185) 4.822 3.385 ( -1.666 1.720 4.185) 4.822 3.426 ( -3.310 -1.766 1.586) 4.073 3.426 ( -3.310 1.766 1.586) 4.073 3.498 ( 0.971 -3.401 -0.660) 3.598 3.498 ( 0.971 3.401 -0.660) 3.598 3.569 ( -2.687 -0.754 -2.616) 3.825 3.569 ( -2.687 0.754 -2.616) 3.825 3.741 ( 5.126 -0.610 1.249) 5.311 3.741 ( 5.126 0.610 1.249) 5.311 3.788 ( 5.007 -0.259 -0.907) 5.095 3.788 ( 5.007 0.259 -0.907) 5.095 3.903 ( 0.249 -1.662 0.583) 1.779 3.903 ( 0.249 1.662 0.583) 1.779 3.934 ( -0.734 -1.443 -0.760) 1.788 3.934 ( -0.734 1.443 -0.760) 1.788 4.156 ( 4.605 -1.077 0.300) 4.739 4.156 ( 4.605 1.077 0.300) 4.739 4.161 ( 5.454 -1.966 0.174) 5.800 4.161 ( 5.454 1.966 0.174) 5.800 4.281 ( -0.134 -0.862 0.230) 0.902 4.281 ( -0.134 0.862 0.230) 0.902 4.301 ( 0.080 -1.131 -0.694) 1.329 4.301 ( 0.080 1.131 -0.694) 1.329 4.924 ( 0.777 -0.324 0.146) 0.854 4.924 ( 0.777 0.324 0.146) 0.854 4.954 ( -0.283 -0.141 -0.724) 0.790 4.954 ( -0.283 0.141 -0.724) 0.790 5.009 ( -0.304 -0.501 1.880) 1.969 5.009 ( -0.304 0.501 1.880) 1.969 5.034 ( -1.493 -1.059 0.688) 1.956 5.034 ( -1.493 1.059 0.688) 1.956 5.113 ( 0.709 -0.051 1.314) 1.494 5.113 ( 0.709 0.051 1.314) 1.494 5.133 ( 0.793 -0.396 1.158) 1.458 5.133 ( 0.793 0.396 1.158) 1.458 5.149 ( 1.659 -0.086 0.479) 1.729 5.149 ( 1.659 0.086 0.479) 1.729 5.197 ( -0.364 -0.122 -1.311) 1.367 5.197 ( -0.364 0.122 -1.311) 1.367 5.320 ( -0.386 -0.211 0.722) 0.846 5.320 ( -0.386 0.211 0.722) 0.846 5.406 ( -1.615 -1.317 2.380) 3.164 5.406 ( -1.615 1.317 2.380) 3.164 5.444 ( 0.842 -0.558 -3.050) 3.213 5.444 ( 0.842 0.558 -3.050) 3.213 5.507 ( 1.308 -0.385 -0.076) 1.366 5.507 ( 1.308 0.385 -0.076) 1.366 5.529 ( 0.540 -0.639 -0.990) 1.296 5.529 ( 0.540 0.639 -0.990) 1.296 5.628 ( -2.937 -1.379 2.991) 4.413 5.628 ( -2.937 1.379 2.991) 4.413 5.713 ( 1.388 -0.643 0.017) 1.530 5.713 ( 1.388 0.643 0.017) 1.530 5.778 ( -1.708 -0.656 -1.106) 2.138 5.778 ( -1.708 0.656 -1.106) 2.138 5.829 ( 2.191 -1.274 0.861) 2.677 5.829 ( 2.191 1.274 0.861) 2.677 5.862 ( 1.690 -0.274 0.224) 1.727 5.862 ( 1.690 0.274 0.224) 1.727 5.902 ( -0.334 -0.328 1.819) 1.878 5.902 ( -0.334 0.328 1.819) 1.878 5.971 ( -0.798 -0.694 -0.926) 1.406 5.971 ( -0.798 0.694 -0.926) 1.406 6.061 ( 1.691 -1.192 -0.662) 2.172 6.061 ( 1.691 1.192 -0.662) 2.172 6.082 ( 1.638 -1.095 -0.701) 2.091 6.082 ( 1.638 1.095 -0.701) 2.091 6.160 ( 1.106 -1.882 0.669) 2.283 6.160 ( 1.106 1.882 0.669) 2.283 6.208 ( -0.011 -2.889 -1.205) 3.130 6.208 ( -0.011 2.889 -1.205) 3.130 6.686 ( 0.539 -1.718 0.561) 1.886 6.686 ( 0.539 1.718 0.561) 1.886 6.704 ( 0.092 -1.690 -0.153) 1.700 6.704 ( 0.092 1.690 -0.153) 1.700 6.711 ( -0.230 -0.892 0.197) 0.942 6.711 ( -0.230 0.892 0.197) 0.942 6.720 ( -0.146 -1.703 -0.231) 1.725 6.720 ( -0.146 1.703 -0.231) 1.725 6.868 ( 0.823 -1.413 0.259) 1.656 6.868 ( 0.823 1.413 0.259) 1.656 6.889 ( 1.608 -1.285 -0.756) 2.193 6.889 ( 1.608 1.285 -0.756) 2.193 6.922 ( -0.995 -4.038 1.177) 4.322 6.922 ( -0.995 4.038 1.177) 4.322 7.028 ( -3.639 -2.775 -3.656) 5.857 7.028 ( -3.639 2.775 -3.656) 5.857 ======================= Grid point 39 (18/27) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.783 ( -6.063 -8.039 5.004) 11.244 0.783 ( 6.034 -8.034 5.004) 11.225 0.783 ( -6.034 8.034 5.004) 11.225 0.783 ( 6.063 8.039 5.004) 11.244 0.972 ( -8.294 -5.927 2.760) 10.561 0.972 ( 8.241 -5.908 2.760) 10.509 0.972 ( -8.241 5.908 2.760) 10.509 0.972 ( 8.294 5.927 2.760) 10.561 1.072 ( -2.875 -4.509 -4.393) 6.921 1.072 ( 2.826 -4.501 -4.393) 6.895 1.072 ( -2.826 4.501 -4.393) 6.895 1.072 ( 2.875 4.509 -4.393) 6.921 1.170 ( -0.793 -2.073 -1.011) 2.439 1.170 ( 0.379 -2.043 -1.011) 2.311 1.170 ( -0.379 2.043 -1.011) 2.311 1.170 ( 0.793 2.073 -1.011) 2.439 1.278 ( -0.677 -0.760 -0.335) 1.072 1.278 ( 0.638 -0.752 -0.335) 1.042 1.278 ( -0.638 0.752 -0.335) 1.042 1.278 ( 0.677 0.760 -0.335) 1.072 1.375 ( -1.085 -1.132 2.010) 2.549 1.375 ( 0.787 -1.068 2.010) 2.409 1.375 ( -0.787 1.068 2.010) 2.409 1.375 ( 1.085 1.132 2.010) 2.549 1.487 ( -1.298 -1.795 2.691) 3.486 1.487 ( 1.143 -1.769 2.691) 3.418 1.487 ( -1.143 1.769 2.691) 3.418 1.487 ( 1.298 1.795 2.691) 3.486 1.526 ( -2.033 -1.477 2.103) 3.277 1.526 ( 0.115 -1.073 2.103) 2.363 1.526 ( -0.115 1.073 2.103) 2.363 1.526 ( 2.033 1.477 2.103) 3.277 1.619 ( -0.708 -3.706 0.567) 3.816 1.619 ( 0.645 -3.704 0.567) 3.802 1.619 ( -0.645 3.704 0.567) 3.802 1.619 ( 0.708 3.706 0.567) 3.816 1.674 ( -3.090 -2.267 -1.552) 4.134 1.674 ( 2.496 -2.076 -1.552) 3.598 1.674 ( -2.496 2.076 -1.552) 3.598 1.674 ( 3.090 2.267 -1.552) 4.134 1.721 ( -2.043 -3.480 -1.782) 4.411 1.721 ( 1.918 -3.462 -1.782) 4.341 1.721 ( -1.918 3.462 -1.782) 4.341 1.721 ( 2.043 3.480 -1.782) 4.411 1.759 ( -1.460 -1.088 -0.118) 1.824 1.759 ( 0.809 -0.903 -0.118) 1.218 1.759 ( -0.809 0.903 -0.118) 1.218 1.759 ( 1.460 1.088 -0.118) 1.824 1.836 ( -2.226 -2.481 0.948) 3.465 1.836 ( 1.576 -2.353 0.948) 2.986 1.836 ( -1.576 2.353 0.948) 2.986 1.836 ( 2.226 2.481 0.948) 3.465 1.937 ( -0.359 -3.641 0.601) 3.708 1.937 ( 0.347 -3.641 0.601) 3.706 1.937 ( -0.347 3.641 0.601) 3.706 1.937 ( 0.359 3.641 0.601) 3.708 1.965 ( -1.546 -1.937 1.297) 2.798 1.965 ( 0.775 -1.818 1.297) 2.364 1.965 ( -0.775 1.818 1.297) 2.364 1.965 ( 1.546 1.937 1.297) 2.798 2.068 ( -2.499 -1.629 -1.190) 3.212 2.068 ( 2.499 -1.629 -1.190) 3.212 2.068 ( -2.499 1.629 -1.190) 3.212 2.068 ( 2.499 1.629 -1.190) 3.212 2.134 ( -3.661 -3.620 -0.415) 5.165 2.134 ( 3.380 -3.551 -0.415) 4.920 2.134 ( -3.380 3.551 -0.415) 4.920 2.134 ( 3.661 3.620 -0.415) 5.165 2.233 ( -2.199 -1.591 -1.471) 3.087 2.233 ( 0.967 -1.247 -1.471) 2.157 2.233 ( -0.967 1.247 -1.471) 2.157 2.233 ( 2.199 1.591 -1.471) 3.087 2.284 ( -4.366 -1.911 0.041) 4.766 2.284 ( -2.122 0.114 0.041) 2.125 2.284 ( 2.122 -0.114 0.041) 2.125 2.284 ( 4.366 1.911 0.041) 4.766 2.352 ( -1.767 -2.729 -0.199) 3.257 2.352 ( 1.561 -2.697 -0.199) 3.123 2.352 ( -1.561 2.697 -0.199) 3.123 2.352 ( 1.767 2.729 -0.199) 3.257 2.474 ( -2.693 -2.459 -0.022) 3.647 2.474 ( 1.353 -2.165 -0.022) 2.554 2.474 ( -1.353 2.165 -0.022) 2.554 2.474 ( 2.693 2.459 -0.022) 3.647 2.550 ( -3.689 -1.604 -0.114) 4.024 2.550 ( -2.406 0.786 -0.114) 2.533 2.550 ( 2.406 -0.786 -0.114) 2.533 2.550 ( 3.689 1.604 -0.114) 4.024 2.635 ( -1.454 -1.594 1.387) 2.564 2.635 ( 1.270 -1.554 1.387) 2.439 2.635 ( -1.270 1.554 1.387) 2.439 2.635 ( 1.454 1.594 1.387) 2.564 2.727 ( -4.096 -0.341 -1.760) 4.471 2.727 ( -4.062 0.219 -1.760) 4.433 2.727 ( 4.062 -0.219 -1.760) 4.433 2.727 ( 4.096 0.341 -1.760) 4.471 2.770 ( -5.551 -1.353 -1.712) 5.964 2.770 ( -5.538 1.340 -1.712) 5.950 2.770 ( 5.538 -1.340 -1.712) 5.950 2.770 ( 5.551 1.353 -1.712) 5.964 2.855 ( -1.163 -0.754 -3.089) 3.386 2.855 ( -0.162 -0.487 -3.089) 3.131 2.855 ( 0.162 0.487 -3.089) 3.131 2.855 ( 1.163 0.754 -3.089) 3.386 2.920 ( -2.774 -1.273 -1.164) 3.266 2.920 ( -1.852 -0.744 -1.164) 2.311 2.920 ( 1.852 0.744 -1.164) 2.311 2.920 ( 2.774 1.273 -1.164) 3.266 3.068 ( -1.065 -0.893 1.720) 2.211 3.068 ( 0.908 -0.849 1.720) 2.122 3.068 ( -0.908 0.849 1.720) 2.122 3.068 ( 1.065 0.893 1.720) 2.211 3.124 ( -0.657 -1.326 0.160) 1.489 3.124 ( 0.381 -1.299 0.160) 1.363 3.124 ( -0.381 1.299 0.160) 1.363 3.124 ( 0.657 1.326 0.160) 1.489 3.191 ( -1.673 -1.579 -0.128) 2.304 3.191 ( 1.591 -1.557 -0.128) 2.230 3.191 ( -1.591 1.557 -0.128) 2.230 3.191 ( 1.673 1.579 -0.128) 2.304 3.249 ( -1.377 -1.656 1.426) 2.583 3.249 ( 1.356 -1.652 1.426) 2.569 3.249 ( -1.356 1.652 1.426) 2.569 3.249 ( 1.377 1.656 1.426) 2.583 3.295 ( -2.343 -0.597 0.143) 2.422 3.295 ( -2.016 0.019 0.143) 2.021 3.295 ( 2.016 -0.019 0.143) 2.021 3.295 ( 2.343 0.597 0.143) 2.422 3.379 ( -1.030 -1.570 3.407) 3.891 3.379 ( 0.995 -1.565 3.407) 3.879 3.379 ( -0.995 1.565 3.407) 3.879 3.379 ( 1.030 1.570 3.407) 3.891 3.525 ( -1.646 -2.722 -2.052) 3.786 3.525 ( 1.609 -2.717 -2.052) 3.766 3.525 ( -1.609 2.717 -2.052) 3.766 3.525 ( 1.646 2.722 -2.052) 3.786 3.855 ( -4.658 -0.364 0.547) 4.704 3.855 ( -4.614 0.181 0.547) 4.650 3.855 ( 4.614 -0.181 0.547) 4.650 3.855 ( 4.658 0.364 0.547) 4.704 3.884 ( -3.777 -0.525 -0.569) 3.856 3.884 ( -3.751 0.475 -0.569) 3.823 3.884 ( 3.751 -0.475 -0.569) 3.823 3.884 ( 3.777 0.525 -0.569) 3.856 4.234 ( -1.345 -0.994 0.429) 1.727 4.234 ( 1.078 -0.909 0.429) 1.474 4.234 ( -1.078 0.909 0.429) 1.474 4.234 ( 1.345 0.994 0.429) 1.727 4.276 ( -1.773 -1.341 -0.599) 2.302 4.276 ( 1.337 -1.208 -0.599) 1.899 4.276 ( -1.337 1.208 -0.599) 1.899 4.276 ( 1.773 1.341 -0.599) 2.302 4.942 ( -0.854 -0.176 -0.326) 0.931 4.942 ( -0.843 0.161 -0.326) 0.918 4.942 ( 0.843 -0.161 -0.326) 0.918 4.942 ( 0.854 0.176 -0.326) 0.931 5.012 ( -0.614 -0.353 1.340) 1.516 5.012 ( 0.552 -0.326 1.340) 1.486 5.012 ( -0.552 0.326 1.340) 1.486 5.012 ( 0.614 0.353 1.340) 1.516 5.131 ( -0.849 -0.082 1.387) 1.628 5.131 ( -0.843 0.064 1.387) 1.624 5.131 ( 0.843 -0.064 1.387) 1.624 5.131 ( 0.849 0.082 1.387) 1.628 5.181 ( -1.193 -0.140 -0.408) 1.269 5.181 ( -1.191 0.135 -0.408) 1.266 5.181 ( 1.191 -0.135 -0.408) 1.266 5.181 ( 1.193 0.140 -0.408) 1.269 5.348 ( -2.737 -0.295 0.684) 2.837 5.348 ( -2.731 0.281 0.684) 2.829 5.348 ( 2.731 -0.281 0.684) 2.829 5.348 ( 2.737 0.295 0.684) 2.837 5.489 ( -2.357 -0.368 -2.827) 3.699 5.489 ( -2.246 0.083 -2.827) 3.612 5.489 ( 2.246 -0.083 -2.827) 3.612 5.489 ( 2.357 0.368 -2.827) 3.699 5.565 ( -2.697 -0.521 1.833) 3.302 5.565 ( -2.535 0.245 1.833) 3.137 5.565 ( 2.535 -0.245 1.833) 3.137 5.565 ( 2.697 0.521 1.833) 3.302 5.742 ( -1.600 -0.257 -0.377) 1.664 5.742 ( -1.599 0.254 -0.377) 1.662 5.742 ( 1.599 -0.254 -0.377) 1.662 5.742 ( 1.600 0.257 -0.377) 1.664 5.872 ( -1.244 -0.430 1.324) 1.867 5.872 ( -1.152 0.360 1.324) 1.792 5.872 ( 1.152 -0.360 1.324) 1.792 5.872 ( 1.244 0.430 1.324) 1.867 5.931 ( -2.867 -0.735 -0.327) 2.978 5.931 ( -2.689 0.540 -0.327) 2.762 5.931 ( 2.689 -0.540 -0.327) 2.762 5.931 ( 2.867 0.735 -0.327) 2.978 6.091 ( -0.808 -1.051 0.394) 1.383 6.091 ( 0.696 -1.031 0.394) 1.305 6.091 ( -0.696 1.031 0.394) 1.305 6.091 ( 0.808 1.051 0.394) 1.383 6.193 ( -1.555 -2.478 -1.062) 3.112 6.193 ( 1.516 -2.472 -1.062) 3.088 6.193 ( -1.516 2.472 -1.062) 3.088 6.193 ( 1.555 2.478 -1.062) 3.112 6.698 ( -0.530 -1.527 0.274) 1.639 6.698 ( 0.526 -1.526 0.274) 1.637 6.698 ( -0.526 1.526 0.274) 1.637 6.698 ( 0.530 1.527 0.274) 1.639 6.714 ( -0.367 -1.574 -0.075) 1.618 6.714 ( 0.353 -1.574 -0.075) 1.614 6.714 ( -0.353 1.574 -0.075) 1.614 6.714 ( 0.367 1.574 -0.075) 1.618 6.891 ( -1.307 -2.919 0.530) 3.242 6.891 ( 1.304 -2.919 0.530) 3.240 6.891 ( -1.304 2.919 0.530) 3.240 6.891 ( 1.307 2.919 0.530) 3.242 6.949 ( -3.558 -2.797 -1.654) 4.819 6.949 ( 3.554 -2.796 -1.654) 4.815 6.949 ( -3.554 2.796 -1.654) 4.815 6.949 ( 3.558 2.797 -1.654) 4.819 ======================= Grid point 50 (19/27) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( 0.000 0.000 -15.546) 15.546 0.617 ( 0.000 0.000 15.546) 15.546 0.638 ( 0.000 0.000 -15.179) 15.179 0.638 ( 0.000 0.000 15.179) 15.179 1.056 ( 0.000 0.000 -2.073) 2.073 1.056 ( 0.000 0.000 2.073) 2.073 1.084 ( 0.000 0.000 -0.584) 0.584 1.084 ( 0.000 0.000 0.584) 0.584 1.138 ( 0.000 0.000 -21.138) 21.138 1.138 ( 0.000 0.000 21.138) 21.138 1.169 ( 0.000 0.000 -7.664) 7.664 1.169 ( 0.000 0.000 7.664) 7.664 1.202 ( 0.000 0.000 -0.734) 0.734 1.202 ( 0.000 0.000 0.734) 0.734 1.203 ( 0.000 0.000 -2.266) 2.266 1.203 ( 0.000 0.000 2.266) 2.266 1.243 ( 0.000 0.000 -2.479) 2.479 1.243 ( 0.000 0.000 2.479) 2.479 1.299 ( 0.000 0.000 -0.643) 0.643 1.299 ( 0.000 0.000 0.643) 0.643 1.309 ( 0.000 0.000 -2.387) 2.387 1.309 ( 0.000 0.000 2.387) 2.387 1.357 ( 0.000 0.000 -0.099) 0.099 1.357 ( 0.000 0.000 0.099) 0.099 1.390 ( 0.000 0.000 -3.939) 3.939 1.390 ( 0.000 0.000 3.939) 3.939 1.428 ( 0.000 0.000 -3.277) 3.277 1.428 ( 0.000 0.000 3.277) 3.277 1.479 ( 0.000 0.000 -1.739) 1.739 1.479 ( 0.000 0.000 1.739) 1.739 1.533 ( 0.000 0.000 -0.809) 0.809 1.533 ( 0.000 0.000 0.809) 0.809 1.543 ( 0.000 0.000 -0.360) 0.360 1.543 ( 0.000 0.000 0.360) 0.360 1.590 ( 0.000 0.000 -1.949) 1.949 1.590 ( 0.000 0.000 1.949) 1.949 1.631 ( 0.000 0.000 -1.970) 1.970 1.631 ( 0.000 0.000 1.970) 1.970 1.641 ( 0.000 0.000 -7.652) 7.652 1.641 ( 0.000 0.000 7.652) 7.652 1.662 ( 0.000 0.000 -0.459) 0.459 1.662 ( 0.000 0.000 0.459) 0.459 1.725 ( 0.000 0.000 -4.117) 4.117 1.725 ( 0.000 0.000 4.117) 4.117 1.752 ( 0.000 0.000 -2.318) 2.318 1.752 ( 0.000 0.000 2.318) 2.318 1.802 ( 0.000 0.000 -1.422) 1.422 1.802 ( 0.000 0.000 1.422) 1.422 1.857 ( 0.000 0.000 -2.701) 2.701 1.857 ( 0.000 0.000 2.701) 2.701 1.861 ( 0.000 0.000 -7.025) 7.025 1.861 ( 0.000 0.000 7.025) 7.025 1.902 ( 0.000 0.000 -5.219) 5.219 1.902 ( 0.000 0.000 5.219) 5.219 1.925 ( 0.000 0.000 -5.045) 5.045 1.925 ( 0.000 0.000 5.045) 5.045 1.979 ( 0.000 0.000 -5.729) 5.729 1.979 ( 0.000 0.000 5.729) 5.729 1.989 ( 0.000 0.000 -0.213) 0.213 1.989 ( 0.000 0.000 0.213) 0.213 2.048 ( 0.000 0.000 -2.783) 2.783 2.048 ( 0.000 0.000 2.783) 2.783 2.059 ( 0.000 0.000 -0.278) 0.278 2.059 ( 0.000 0.000 0.278) 0.278 2.076 ( 0.000 0.000 -4.886) 4.886 2.076 ( 0.000 0.000 4.886) 4.886 2.176 ( 0.000 0.000 -4.384) 4.384 2.176 ( 0.000 0.000 4.384) 4.384 2.235 ( 0.000 0.000 -1.526) 1.526 2.235 ( 0.000 0.000 1.526) 1.526 2.269 ( 0.000 0.000 -0.990) 0.990 2.269 ( 0.000 0.000 0.990) 0.990 2.299 ( 0.000 0.000 -1.151) 1.151 2.299 ( 0.000 0.000 1.151) 1.151 2.314 ( 0.000 0.000 -0.740) 0.740 2.314 ( 0.000 0.000 0.740) 0.740 2.339 ( 0.000 0.000 -4.026) 4.026 2.339 ( 0.000 0.000 4.026) 4.026 2.345 ( 0.000 0.000 -3.475) 3.475 2.345 ( 0.000 0.000 3.475) 3.475 2.386 ( 0.000 0.000 -4.438) 4.438 2.386 ( 0.000 0.000 4.438) 4.438 2.485 ( 0.000 0.000 -6.084) 6.084 2.485 ( 0.000 0.000 6.084) 6.084 2.528 ( 0.000 0.000 -0.007) 0.007 2.528 ( 0.000 0.000 0.007) 0.007 2.586 ( 0.000 0.000 -1.096) 1.096 2.586 ( 0.000 0.000 1.096) 1.096 2.593 ( 0.000 0.000 -3.670) 3.670 2.593 ( 0.000 0.000 3.670) 3.670 2.625 ( 0.000 0.000 -7.208) 7.208 2.625 ( 0.000 0.000 7.208) 7.208 2.670 ( 0.000 0.000 -2.498) 2.498 2.670 ( 0.000 0.000 2.498) 2.498 2.725 ( 0.000 0.000 -0.672) 0.672 2.725 ( 0.000 0.000 0.672) 0.672 2.761 ( 0.000 0.000 -1.323) 1.323 2.761 ( 0.000 0.000 1.323) 1.323 2.769 ( 0.000 0.000 -0.083) 0.083 2.769 ( 0.000 0.000 0.083) 0.083 2.888 ( 0.000 0.000 -0.878) 0.878 2.888 ( 0.000 0.000 0.878) 0.878 3.001 ( 0.000 0.000 -1.790) 1.790 3.001 ( 0.000 0.000 1.790) 1.790 3.016 ( 0.000 0.000 -1.074) 1.074 3.016 ( 0.000 0.000 1.074) 1.074 3.049 ( 0.000 0.000 -5.051) 5.051 3.049 ( 0.000 0.000 5.051) 5.051 3.062 ( 0.000 0.000 -2.129) 2.129 3.062 ( 0.000 0.000 2.129) 2.129 3.089 ( 0.000 0.000 -2.176) 2.176 3.089 ( 0.000 0.000 2.176) 2.176 3.109 ( 0.000 0.000 -3.032) 3.032 3.109 ( 0.000 0.000 3.032) 3.032 3.167 ( 0.000 0.000 -3.141) 3.141 3.167 ( 0.000 0.000 3.141) 3.141 3.175 ( 0.000 0.000 -4.462) 4.462 3.175 ( 0.000 0.000 4.462) 4.462 3.215 ( 0.000 0.000 -3.162) 3.162 3.215 ( 0.000 0.000 3.162) 3.162 3.256 ( 0.000 0.000 -1.414) 1.414 3.256 ( 0.000 0.000 1.414) 1.414 3.277 ( 0.000 0.000 -1.229) 1.229 3.277 ( 0.000 0.000 1.229) 1.229 3.373 ( 0.000 0.000 -2.684) 2.684 3.373 ( 0.000 0.000 2.684) 2.684 3.373 ( 0.000 0.000 -0.449) 0.449 3.373 ( 0.000 0.000 0.449) 0.449 3.406 ( 0.000 0.000 -0.836) 0.836 3.406 ( 0.000 0.000 0.836) 0.836 3.534 ( 0.000 0.000 -0.126) 0.126 3.534 ( 0.000 0.000 0.126) 0.126 3.540 ( 0.000 0.000 -1.857) 1.857 3.540 ( 0.000 0.000 1.857) 1.857 3.604 ( 0.000 0.000 -1.290) 1.290 3.604 ( 0.000 0.000 1.290) 1.290 3.674 ( 0.000 0.000 -1.746) 1.746 3.674 ( 0.000 0.000 1.746) 1.746 3.783 ( 0.000 0.000 -2.755) 2.755 3.783 ( 0.000 0.000 2.755) 2.755 3.902 ( 0.000 0.000 -1.020) 1.020 3.902 ( 0.000 0.000 1.020) 1.020 3.916 ( 0.000 0.000 -0.364) 0.364 3.916 ( 0.000 0.000 0.364) 0.364 4.075 ( 0.000 0.000 -1.064) 1.064 4.075 ( 0.000 0.000 1.064) 1.064 4.106 ( 0.000 0.000 -0.781) 0.781 4.106 ( 0.000 0.000 0.781) 0.781 4.277 ( 0.000 0.000 -0.012) 0.012 4.277 ( 0.000 0.000 0.012) 0.012 4.295 ( 0.000 0.000 -0.826) 0.826 4.295 ( 0.000 0.000 0.826) 0.826 4.939 ( 0.000 0.000 -1.132) 1.132 4.939 ( 0.000 0.000 1.132) 1.132 4.942 ( 0.000 0.000 -1.401) 1.401 4.942 ( 0.000 0.000 1.401) 1.401 5.012 ( 0.000 0.000 -0.791) 0.791 5.012 ( 0.000 0.000 0.791) 0.791 5.074 ( 0.000 0.000 -0.787) 0.787 5.074 ( 0.000 0.000 0.787) 0.787 5.124 ( 0.000 0.000 -0.255) 0.255 5.124 ( 0.000 0.000 0.255) 0.255 5.140 ( 0.000 0.000 -0.824) 0.824 5.140 ( 0.000 0.000 0.824) 0.824 5.147 ( 0.000 0.000 -2.289) 2.289 5.147 ( 0.000 0.000 2.289) 2.289 5.174 ( 0.000 0.000 -2.591) 2.591 5.174 ( 0.000 0.000 2.591) 2.591 5.378 ( 0.000 0.000 -3.515) 3.515 5.378 ( 0.000 0.000 3.515) 3.515 5.380 ( 0.000 0.000 -0.008) 0.008 5.380 ( 0.000 0.000 0.008) 0.008 5.436 ( 0.000 0.000 -0.795) 0.795 5.436 ( 0.000 0.000 0.795) 0.795 5.457 ( 0.000 0.000 -0.511) 0.511 5.457 ( 0.000 0.000 0.511) 0.511 5.566 ( 0.000 0.000 -5.738) 5.738 5.566 ( 0.000 0.000 5.738) 5.738 5.710 ( 0.000 0.000 -3.155) 3.155 5.710 ( 0.000 0.000 3.155) 3.155 5.781 ( 0.000 0.000 -2.827) 2.827 5.781 ( 0.000 0.000 2.827) 2.827 5.786 ( 0.000 0.000 -2.269) 2.269 5.786 ( 0.000 0.000 2.269) 2.269 5.827 ( 0.000 0.000 -0.109) 0.109 5.827 ( 0.000 0.000 0.109) 0.109 5.880 ( 0.000 0.000 -0.313) 0.313 5.880 ( 0.000 0.000 0.313) 0.313 5.950 ( 0.000 0.000 -2.374) 2.374 5.950 ( 0.000 0.000 2.374) 2.374 5.956 ( 0.000 0.000 -1.809) 1.809 5.956 ( 0.000 0.000 1.809) 1.809 6.009 ( 0.000 0.000 -0.598) 0.598 6.009 ( 0.000 0.000 0.598) 0.598 6.073 ( 0.000 0.000 -1.771) 1.771 6.073 ( 0.000 0.000 1.771) 1.771 6.140 ( 0.000 0.000 -0.770) 0.770 6.140 ( 0.000 0.000 0.770) 0.770 6.183 ( 0.000 0.000 -2.304) 2.304 6.183 ( 0.000 0.000 2.304) 2.304 6.666 ( 0.000 0.000 -0.010) 0.010 6.666 ( 0.000 0.000 0.010) 0.010 6.683 ( 0.000 0.000 -0.935) 0.935 6.683 ( 0.000 0.000 0.935) 0.935 6.710 ( 0.000 0.000 -1.002) 1.002 6.710 ( 0.000 0.000 1.002) 1.002 6.785 ( 0.000 0.000 -0.049) 0.049 6.785 ( 0.000 0.000 0.049) 0.049 6.810 ( 0.000 0.000 -0.175) 0.175 6.810 ( 0.000 0.000 0.175) 0.175 6.817 ( 0.000 0.000 -0.435) 0.435 6.817 ( 0.000 0.000 0.435) 0.435 6.879 ( 0.000 0.000 -0.235) 0.235 6.879 ( 0.000 0.000 0.235) 0.235 7.058 ( 0.000 0.000 -0.377) 0.377 7.058 ( 0.000 0.000 0.377) 0.377 ======================= Grid point 52 (20/27) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( 7.217 0.000 -13.496) 15.305 0.698 ( 7.217 0.000 13.496) 15.305 0.738 ( 7.957 0.000 -12.966) 15.213 0.738 ( 7.957 0.000 12.966) 15.213 1.029 ( -3.706 0.000 -0.071) 3.706 1.029 ( -3.706 0.000 0.071) 3.706 1.070 ( -6.313 0.000 -0.384) 6.325 1.070 ( -6.313 0.000 0.384) 6.325 1.095 ( 1.189 0.000 -0.608) 1.336 1.095 ( 1.189 0.000 0.608) 1.336 1.154 ( -5.262 0.000 -2.134) 5.678 1.154 ( -5.262 0.000 2.134) 5.678 1.176 ( 1.638 0.000 -7.029) 7.217 1.176 ( 1.638 0.000 7.029) 7.217 1.203 ( -0.578 0.000 -1.054) 1.202 1.203 ( -0.578 0.000 1.054) 1.202 1.295 ( 4.272 0.000 -3.478) 5.509 1.295 ( 4.272 0.000 3.478) 5.509 1.307 ( 2.688 0.000 -2.975) 4.010 1.307 ( 2.688 0.000 2.975) 4.010 1.342 ( 2.353 0.000 -1.165) 2.625 1.342 ( 2.353 0.000 1.165) 2.625 1.402 ( 1.787 0.000 -0.342) 1.819 1.402 ( 1.787 0.000 0.342) 1.819 1.432 ( 4.305 0.000 -0.301) 4.315 1.432 ( 4.305 0.000 0.301) 4.315 1.450 ( 2.386 0.000 -3.044) 3.867 1.450 ( 2.386 0.000 3.044) 3.867 1.508 ( 3.790 0.000 -0.249) 3.799 1.508 ( 3.790 0.000 0.249) 3.799 1.545 ( -0.201 0.000 -0.454) 0.497 1.545 ( -0.201 0.000 0.454) 0.497 1.558 ( 0.030 0.000 -0.462) 0.463 1.558 ( 0.030 0.000 0.462) 0.463 1.592 ( 1.732 0.000 -1.638) 2.384 1.592 ( 1.732 0.000 1.638) 2.384 1.628 ( -1.209 0.000 -5.890) 6.013 1.628 ( -1.209 0.000 5.890) 6.013 1.648 ( 2.600 0.000 -0.549) 2.657 1.648 ( 2.600 0.000 0.549) 2.657 1.674 ( 0.608 0.000 -0.909) 1.093 1.674 ( 0.608 0.000 0.909) 1.093 1.724 ( -0.968 0.000 -1.860) 2.097 1.724 ( -0.968 0.000 1.860) 2.097 1.762 ( 1.543 0.000 -4.364) 4.629 1.762 ( 1.543 0.000 4.364) 4.629 1.804 ( -0.407 0.000 -0.626) 0.747 1.804 ( -0.407 0.000 0.626) 0.747 1.830 ( -2.007 0.000 -3.764) 4.266 1.830 ( -2.007 0.000 3.764) 4.266 1.847 ( -2.398 0.000 -5.507) 6.007 1.847 ( -2.398 0.000 5.507) 6.007 1.901 ( -4.467 0.000 -0.454) 4.490 1.901 ( -4.467 0.000 0.454) 4.490 1.925 ( 2.520 0.000 -9.849) 10.166 1.925 ( 2.520 0.000 9.849) 10.166 1.940 ( -0.018 0.000 -4.779) 4.779 1.940 ( -0.018 0.000 4.779) 4.779 1.996 ( 0.465 0.000 -0.106) 0.477 1.996 ( 0.465 0.000 0.106) 0.477 2.045 ( 2.480 0.000 -4.025) 4.728 2.045 ( 2.480 0.000 4.025) 4.728 2.064 ( 1.166 0.000 -1.235) 1.698 2.064 ( 1.166 0.000 1.235) 1.698 2.151 ( 2.289 0.000 -0.941) 2.475 2.151 ( 2.289 0.000 0.941) 2.475 2.187 ( -4.435 0.000 -2.656) 5.169 2.187 ( -4.435 0.000 2.656) 5.169 2.214 ( -1.979 0.000 -2.998) 3.592 2.214 ( -1.979 0.000 2.998) 3.592 2.258 ( 2.191 0.000 -7.398) 7.716 2.258 ( 2.191 0.000 7.398) 7.716 2.280 ( -2.418 0.000 -0.756) 2.533 2.280 ( -2.418 0.000 0.756) 2.533 2.314 ( 0.012 0.000 -1.622) 1.622 2.314 ( 0.012 0.000 1.622) 1.622 2.352 ( 2.171 0.000 -2.280) 3.148 2.352 ( 2.171 0.000 2.280) 3.148 2.389 ( 3.532 0.000 -5.368) 6.426 2.389 ( 3.532 0.000 5.368) 6.426 2.407 ( 3.829 0.000 -2.807) 4.747 2.407 ( 3.829 0.000 2.807) 4.747 2.502 ( -0.625 0.000 -1.505) 1.629 2.502 ( -0.625 0.000 1.505) 1.629 2.511 ( 0.409 0.000 -4.614) 4.632 2.511 ( 0.409 0.000 4.614) 4.632 2.552 ( 1.684 0.000 -0.358) 1.722 2.552 ( 1.684 0.000 0.358) 1.722 2.606 ( -0.881 0.000 -1.620) 1.844 2.606 ( -0.881 0.000 1.620) 1.844 2.628 ( -1.743 0.000 -3.131) 3.583 2.628 ( -1.743 0.000 3.131) 3.583 2.667 ( 0.408 0.000 -0.435) 0.596 2.667 ( 0.408 0.000 0.435) 0.596 2.717 ( -2.041 0.000 -0.274) 2.060 2.717 ( -2.041 0.000 0.274) 2.060 2.739 ( 1.834 0.000 -1.556) 2.405 2.739 ( 1.834 0.000 1.556) 2.405 2.785 ( -1.607 0.000 -1.517) 2.210 2.785 ( -1.607 0.000 1.517) 2.210 2.856 ( -2.729 0.000 -0.847) 2.857 2.856 ( -2.729 0.000 0.847) 2.857 2.906 ( -6.884 0.000 -0.683) 6.917 2.906 ( -6.884 0.000 0.683) 6.917 2.971 ( -4.469 0.000 -0.528) 4.500 2.971 ( -4.469 0.000 0.528) 4.500 3.004 ( -6.724 0.000 -0.189) 6.726 3.004 ( -6.724 0.000 0.189) 6.726 3.040 ( -1.315 0.000 -4.252) 4.451 3.040 ( -1.315 0.000 4.252) 4.451 3.085 ( -1.981 0.000 -1.268) 2.352 3.085 ( -1.981 0.000 1.268) 2.352 3.106 ( 2.775 0.000 -0.140) 2.778 3.106 ( 2.775 0.000 0.140) 2.778 3.148 ( -0.535 0.000 -4.167) 4.201 3.148 ( -0.535 0.000 4.167) 4.201 3.178 ( 0.126 0.000 -1.465) 1.470 3.178 ( 0.126 0.000 1.465) 1.470 3.204 ( 0.693 0.000 -0.193) 0.719 3.204 ( 0.693 0.000 0.193) 0.719 3.238 ( 1.027 0.000 -0.489) 1.137 3.238 ( 1.027 0.000 0.489) 1.137 3.292 ( -2.009 0.000 -0.872) 2.190 3.292 ( -2.009 0.000 0.872) 2.190 3.334 ( -1.830 0.000 -2.135) 2.812 3.334 ( -1.830 0.000 2.135) 2.812 3.353 ( -0.816 0.000 -0.581) 1.002 3.353 ( -0.816 0.000 0.581) 1.002 3.412 ( -1.321 0.000 -0.139) 1.328 3.412 ( -1.321 0.000 0.139) 1.328 3.457 ( -7.911 0.000 -3.822) 8.786 3.457 ( -7.911 0.000 3.822) 8.786 3.524 ( -1.203 0.000 -2.852) 3.095 3.524 ( -1.203 0.000 2.852) 3.095 3.543 ( -2.885 0.000 -1.494) 3.249 3.543 ( -2.885 0.000 1.494) 3.249 3.749 ( 5.873 0.000 -1.792) 6.140 3.749 ( 5.873 0.000 1.792) 6.140 3.770 ( 3.202 0.000 -0.577) 3.254 3.770 ( 3.202 0.000 0.577) 3.254 3.888 ( -0.205 0.000 -0.255) 0.327 3.888 ( -0.205 0.000 0.255) 0.327 3.954 ( -1.100 0.000 -0.729) 1.319 3.954 ( -1.100 0.000 0.729) 1.319 4.129 ( 4.447 0.000 -0.370) 4.462 4.129 ( 4.447 0.000 0.370) 4.462 4.193 ( 6.356 0.000 -0.988) 6.432 4.193 ( 6.356 0.000 0.988) 6.432 4.276 ( -1.349 0.000 -0.846) 1.593 4.276 ( -1.349 0.000 0.846) 1.593 4.326 ( 2.061 0.000 -1.669) 2.652 4.326 ( 2.061 0.000 1.669) 2.652 4.937 ( 0.108 0.000 -0.742) 0.750 4.937 ( 0.108 0.000 0.742) 0.750 4.945 ( 0.054 0.000 -0.621) 0.624 4.945 ( 0.054 0.000 0.621) 0.624 5.011 ( 0.103 0.000 -0.397) 0.410 5.011 ( 0.103 0.000 0.397) 0.410 5.052 ( -1.633 0.000 -0.819) 1.827 5.052 ( -1.633 0.000 0.819) 1.827 5.138 ( 1.077 0.000 -0.092) 1.080 5.138 ( 1.077 0.000 0.092) 1.080 5.153 ( 0.760 0.000 -1.464) 1.649 5.153 ( 0.760 0.000 1.464) 1.649 5.160 ( 0.822 0.000 -0.315) 0.881 5.160 ( 0.822 0.000 0.315) 0.881 5.172 ( -0.120 0.000 -1.280) 1.286 5.172 ( -0.120 0.000 1.280) 1.286 5.355 ( -0.765 0.000 -1.276) 1.488 5.355 ( -0.765 0.000 1.276) 1.488 5.384 ( -0.524 0.000 -1.980) 2.048 5.384 ( -0.524 0.000 1.980) 2.048 5.421 ( 0.350 0.000 -2.595) 2.619 5.421 ( 0.350 0.000 2.595) 2.619 5.493 ( 1.218 0.000 -0.497) 1.316 5.493 ( 1.218 0.000 0.497) 1.316 5.570 ( 0.569 0.000 -3.871) 3.913 5.570 ( 0.569 0.000 3.871) 3.913 5.670 ( -6.511 0.000 -4.439) 7.880 5.670 ( -6.511 0.000 4.439) 7.880 5.714 ( -0.449 0.000 -2.071) 2.119 5.714 ( -0.449 0.000 2.071) 2.119 5.759 ( -1.972 0.000 -2.467) 3.158 5.759 ( -1.972 0.000 2.467) 3.158 5.835 ( 2.192 0.000 -1.820) 2.849 5.835 ( 2.192 0.000 1.820) 2.849 5.887 ( 0.655 0.000 -0.202) 0.686 5.887 ( 0.655 0.000 0.202) 0.686 5.944 ( -0.732 0.000 -1.746) 1.893 5.944 ( -0.732 0.000 1.746) 1.893 5.950 ( -1.056 0.000 -0.796) 1.322 5.950 ( -1.056 0.000 0.796) 1.322 6.031 ( 1.873 0.000 -0.545) 1.951 6.031 ( 1.873 0.000 0.545) 1.951 6.100 ( -1.877 0.000 -0.090) 1.880 6.100 ( -1.877 0.000 0.090) 1.880 6.184 ( 6.098 0.000 -3.506) 7.035 6.184 ( 6.098 0.000 3.506) 7.035 6.247 ( 3.332 0.000 -3.917) 5.142 6.247 ( 3.332 0.000 3.917) 5.142 6.665 ( -0.007 0.000 -0.046) 0.047 6.665 ( -0.007 0.000 0.046) 0.047 6.679 ( -0.421 0.000 -0.712) 0.827 6.679 ( -0.421 0.000 0.712) 0.827 6.715 ( 0.597 0.000 -0.627) 0.866 6.715 ( 0.597 0.000 0.627) 0.866 6.776 ( -1.941 0.000 -0.541) 2.015 6.776 ( -1.941 0.000 0.541) 2.015 6.793 ( 0.348 0.000 -0.438) 0.560 6.793 ( 0.348 0.000 0.438) 0.560 6.814 ( -0.361 0.000 -0.459) 0.584 6.814 ( -0.361 0.000 0.459) 0.584 6.919 ( 3.015 0.000 -0.278) 3.028 6.919 ( 3.015 0.000 0.278) 3.028 7.038 ( -1.942 0.000 -0.367) 1.976 7.038 ( -1.942 0.000 0.367) 1.976 ======================= Grid point 54 (21/27) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( -4.936 0.000 -5.689) 7.532 0.862 ( 4.936 0.000 -5.689) 7.532 0.862 ( -4.936 0.000 5.689) 7.532 0.862 ( 4.936 0.000 5.689) 7.532 0.933 ( -4.171 0.000 -4.124) 5.865 0.933 ( 4.171 0.000 -4.124) 5.865 0.933 ( -4.171 0.000 4.124) 5.865 0.933 ( 4.171 0.000 4.124) 5.865 1.108 ( -0.829 0.000 -1.637) 1.835 1.108 ( 0.829 0.000 -1.637) 1.835 1.108 ( -0.829 0.000 1.637) 1.835 1.108 ( 0.829 0.000 1.637) 1.835 1.186 ( -0.955 0.000 -0.755) 1.218 1.186 ( 0.955 0.000 -0.755) 1.218 1.186 ( -0.955 0.000 0.755) 1.218 1.186 ( 0.955 0.000 0.755) 1.218 1.347 ( -1.055 0.000 -0.010) 1.055 1.347 ( -1.055 0.000 0.010) 1.055 1.347 ( 1.055 0.000 -0.010) 1.055 1.347 ( 1.055 0.000 0.010) 1.055 1.390 ( -1.903 0.000 -4.026) 4.453 1.390 ( 1.903 0.000 -4.026) 4.453 1.390 ( -1.903 0.000 4.026) 4.453 1.390 ( 1.903 0.000 4.026) 4.453 1.504 ( -0.911 0.000 -0.549) 1.063 1.504 ( 0.911 0.000 -0.549) 1.063 1.504 ( -0.911 0.000 0.549) 1.063 1.504 ( 0.911 0.000 0.549) 1.063 1.535 ( -0.671 0.000 -1.372) 1.528 1.535 ( 0.671 0.000 -1.372) 1.528 1.535 ( -0.671 0.000 1.372) 1.528 1.535 ( 0.671 0.000 1.372) 1.528 1.602 ( -0.940 0.000 -3.400) 3.528 1.602 ( 0.940 0.000 -3.400) 3.528 1.602 ( -0.940 0.000 3.400) 3.528 1.602 ( 0.940 0.000 3.400) 3.528 1.668 ( -3.387 0.000 -3.698) 5.015 1.668 ( 3.387 0.000 -3.698) 5.015 1.668 ( -3.387 0.000 3.698) 5.015 1.668 ( 3.387 0.000 3.698) 5.015 1.715 ( -2.580 0.000 -0.110) 2.583 1.715 ( -2.580 0.000 0.110) 2.583 1.715 ( 2.580 0.000 -0.110) 2.583 1.715 ( 2.580 0.000 0.110) 2.583 1.747 ( -0.320 0.000 -0.211) 0.383 1.747 ( 0.320 0.000 -0.211) 0.383 1.747 ( -0.320 0.000 0.211) 0.383 1.747 ( 0.320 0.000 0.211) 0.383 1.802 ( -0.616 0.000 -5.587) 5.621 1.802 ( 0.616 0.000 -5.587) 5.621 1.802 ( -0.616 0.000 5.587) 5.621 1.802 ( 0.616 0.000 5.587) 5.621 1.902 ( -3.457 0.000 -5.868) 6.810 1.902 ( 3.457 0.000 -5.868) 6.810 1.902 ( -3.457 0.000 5.868) 6.810 1.902 ( 3.457 0.000 5.868) 6.810 2.006 ( -3.179 0.000 -5.092) 6.003 2.006 ( 3.179 0.000 -5.092) 6.003 2.006 ( -3.179 0.000 5.092) 6.003 2.006 ( 3.179 0.000 5.092) 6.003 2.040 ( -1.645 0.000 -1.763) 2.411 2.040 ( 1.645 0.000 -1.763) 2.411 2.040 ( -1.645 0.000 1.763) 2.411 2.040 ( 1.645 0.000 1.763) 2.411 2.164 ( -1.778 0.000 -0.847) 1.970 2.164 ( 1.778 0.000 -0.847) 1.970 2.164 ( -1.778 0.000 0.847) 1.970 2.164 ( 1.778 0.000 0.847) 1.970 2.212 ( -1.367 0.000 -1.562) 2.076 2.212 ( 1.367 0.000 -1.562) 2.076 2.212 ( -1.367 0.000 1.562) 2.076 2.212 ( 1.367 0.000 1.562) 2.076 2.285 ( -2.109 0.000 -4.587) 5.049 2.285 ( 2.109 0.000 -4.587) 5.049 2.285 ( -2.109 0.000 4.587) 5.049 2.285 ( 2.109 0.000 4.587) 5.049 2.439 ( -1.625 0.000 -2.721) 3.169 2.439 ( 1.625 0.000 -2.721) 3.169 2.439 ( -1.625 0.000 2.721) 3.169 2.439 ( 1.625 0.000 2.721) 3.169 2.477 ( -2.153 0.000 -2.273) 3.130 2.477 ( 2.153 0.000 -2.273) 3.130 2.477 ( -2.153 0.000 2.273) 3.130 2.477 ( 2.153 0.000 2.273) 3.130 2.552 ( -1.051 0.000 -3.533) 3.686 2.552 ( 1.051 0.000 -3.533) 3.686 2.552 ( -1.051 0.000 3.533) 3.686 2.552 ( 1.051 0.000 3.533) 3.686 2.620 ( -4.700 0.000 -1.561) 4.953 2.620 ( -4.700 0.000 1.561) 4.953 2.620 ( 4.700 0.000 -1.561) 4.953 2.620 ( 4.700 0.000 1.561) 4.953 2.682 ( -8.699 0.000 -0.182) 8.701 2.682 ( -8.699 0.000 0.182) 8.701 2.682 ( 8.699 0.000 -0.182) 8.701 2.682 ( 8.699 0.000 0.182) 8.701 2.722 ( -1.758 0.000 -1.741) 2.474 2.722 ( 1.758 0.000 -1.741) 2.474 2.722 ( -1.758 0.000 1.741) 2.474 2.722 ( 1.758 0.000 1.741) 2.474 2.838 ( -7.230 0.000 -2.450) 7.634 2.838 ( 7.230 0.000 -2.450) 7.634 2.838 ( -7.230 0.000 2.450) 7.634 2.838 ( 7.230 0.000 2.450) 7.634 2.892 ( -3.189 0.000 -3.009) 4.385 2.892 ( 3.189 0.000 -3.009) 4.385 2.892 ( -3.189 0.000 3.009) 4.385 2.892 ( 3.189 0.000 3.009) 4.385 3.047 ( -1.325 0.000 -2.386) 2.729 3.047 ( 1.325 0.000 -2.386) 2.729 3.047 ( -1.325 0.000 2.386) 2.729 3.047 ( 1.325 0.000 2.386) 2.729 3.141 ( -0.720 0.000 -1.076) 1.295 3.141 ( 0.720 0.000 -1.076) 1.295 3.141 ( -0.720 0.000 1.076) 1.295 3.141 ( 0.720 0.000 1.076) 1.295 3.208 ( -2.325 0.000 -0.597) 2.401 3.208 ( -2.325 0.000 0.597) 2.401 3.208 ( 2.325 0.000 -0.597) 2.401 3.208 ( 2.325 0.000 0.597) 2.401 3.266 ( -1.587 0.000 -1.193) 1.986 3.266 ( 1.587 0.000 -1.193) 1.986 3.266 ( -1.587 0.000 1.193) 1.986 3.266 ( 1.587 0.000 1.193) 1.986 3.308 ( -3.711 0.000 -2.951) 4.741 3.308 ( 3.711 0.000 -2.951) 4.741 3.308 ( -3.711 0.000 2.951) 4.741 3.308 ( 3.711 0.000 2.951) 4.741 3.377 ( -2.148 0.000 -1.000) 2.369 3.377 ( 2.148 0.000 -1.000) 2.369 3.377 ( -2.148 0.000 1.000) 2.369 3.377 ( 2.148 0.000 1.000) 2.369 3.514 ( -0.390 0.000 -3.884) 3.903 3.514 ( 0.390 0.000 -3.884) 3.903 3.514 ( -0.390 0.000 3.884) 3.903 3.514 ( 0.390 0.000 3.884) 3.903 3.848 ( -2.294 0.000 -0.447) 2.338 3.848 ( -2.294 0.000 0.447) 2.338 3.848 ( 2.294 0.000 -0.447) 2.338 3.848 ( 2.294 0.000 0.447) 2.338 3.881 ( -4.606 0.000 -0.670) 4.654 3.881 ( -4.606 0.000 0.670) 4.654 3.881 ( 4.606 0.000 -0.670) 4.654 3.881 ( 4.606 0.000 0.670) 4.654 4.218 ( -3.666 0.000 -0.557) 3.709 4.218 ( -3.666 0.000 0.557) 3.709 4.218 ( 3.666 0.000 -0.557) 3.709 4.218 ( 3.666 0.000 0.557) 3.709 4.311 ( -3.585 0.000 -1.536) 3.901 4.311 ( 3.585 0.000 -1.536) 3.901 4.311 ( -3.585 0.000 1.536) 3.901 4.311 ( 3.585 0.000 1.536) 3.901 4.943 ( -0.253 0.000 -0.222) 0.336 4.943 ( 0.253 0.000 -0.222) 0.336 4.943 ( -0.253 0.000 0.222) 0.336 4.943 ( 0.253 0.000 0.222) 0.336 5.022 ( -1.066 0.000 -0.386) 1.134 5.022 ( 1.066 0.000 -0.386) 1.134 5.022 ( -1.066 0.000 0.386) 1.134 5.022 ( 1.066 0.000 0.386) 1.134 5.157 ( -0.564 0.000 -0.687) 0.889 5.157 ( 0.564 0.000 -0.687) 0.889 5.157 ( -0.564 0.000 0.687) 0.889 5.157 ( 0.564 0.000 0.687) 0.889 5.170 ( -0.242 0.000 -0.927) 0.958 5.170 ( 0.242 0.000 -0.927) 0.958 5.170 ( -0.242 0.000 0.927) 0.958 5.170 ( 0.242 0.000 0.927) 0.958 5.360 ( -1.129 0.000 -1.460) 1.845 5.360 ( 1.129 0.000 -1.460) 1.845 5.360 ( -1.129 0.000 1.460) 1.845 5.360 ( 1.129 0.000 1.460) 1.845 5.466 ( -3.300 0.000 -1.330) 3.558 5.466 ( 3.300 0.000 -1.330) 3.558 5.466 ( -3.300 0.000 1.330) 3.558 5.466 ( 3.300 0.000 1.330) 3.558 5.588 ( -1.428 0.000 -0.701) 1.591 5.588 ( 1.428 0.000 -0.701) 1.591 5.588 ( -1.428 0.000 0.701) 1.591 5.588 ( 1.428 0.000 0.701) 1.591 5.725 ( -1.220 0.000 -0.146) 1.229 5.725 ( -1.220 0.000 0.146) 1.229 5.725 ( 1.220 0.000 -0.146) 1.229 5.725 ( 1.220 0.000 0.146) 1.229 5.885 ( -1.868 0.000 -0.621) 1.969 5.885 ( -1.868 0.000 0.621) 1.969 5.885 ( 1.868 0.000 -0.621) 1.969 5.885 ( 1.868 0.000 0.621) 1.969 5.930 ( -0.425 0.000 -0.536) 0.684 5.930 ( 0.425 0.000 -0.536) 0.684 5.930 ( -0.425 0.000 0.536) 0.684 5.930 ( 0.425 0.000 0.536) 0.684 6.067 ( -1.575 0.000 -0.780) 1.758 6.067 ( 1.575 0.000 -0.780) 1.758 6.067 ( -1.575 0.000 0.780) 1.758 6.067 ( 1.575 0.000 0.780) 1.758 6.267 ( -1.748 0.000 -4.288) 4.631 6.267 ( 1.748 0.000 -4.288) 4.631 6.267 ( -1.748 0.000 4.288) 4.631 6.267 ( 1.748 0.000 4.288) 4.631 6.669 ( -0.420 0.000 -0.267) 0.498 6.669 ( 0.420 0.000 -0.267) 0.498 6.669 ( -0.420 0.000 0.267) 0.498 6.669 ( 0.420 0.000 0.267) 0.498 6.737 ( -1.592 0.000 -0.409) 1.644 6.737 ( -1.592 0.000 0.409) 1.644 6.737 ( 1.592 0.000 -0.409) 1.644 6.737 ( 1.592 0.000 0.409) 1.644 6.804 ( -0.584 0.000 -0.435) 0.728 6.804 ( 0.584 0.000 -0.435) 0.728 6.804 ( -0.584 0.000 0.435) 0.728 6.804 ( 0.584 0.000 0.435) 0.728 6.984 ( -3.138 0.000 -0.288) 3.151 6.984 ( -3.138 0.000 0.288) 3.151 6.984 ( 3.138 0.000 -0.288) 3.151 6.984 ( 3.138 0.000 0.288) 3.151 ======================= Grid point 60 (22/27) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( 0.000 6.272 -12.069) 13.602 0.667 ( 0.000 6.272 12.069) 13.602 0.694 ( 0.000 5.685 -13.961) 15.074 0.694 ( 0.000 5.685 13.961) 15.074 0.988 ( 0.000 -6.249 -6.872) 9.288 0.988 ( 0.000 -6.249 6.872) 9.288 1.083 ( 0.000 -5.421 -0.590) 5.453 1.083 ( 0.000 -5.421 0.590) 5.453 1.111 ( 0.000 -3.305 -6.233) 7.055 1.111 ( 0.000 -3.305 6.233) 7.055 1.163 ( 0.000 -0.060 -6.636) 6.636 1.163 ( 0.000 -0.060 6.636) 6.636 1.194 ( 0.000 0.913 -4.454) 4.546 1.194 ( 0.000 0.913 4.454) 4.546 1.223 ( 0.000 1.857 -9.154) 9.340 1.223 ( 0.000 1.857 9.154) 9.340 1.244 ( 0.000 -0.033 -1.788) 1.789 1.244 ( 0.000 -0.033 1.788) 1.789 1.283 ( 0.000 0.763 -1.828) 1.981 1.283 ( 0.000 0.763 1.828) 1.981 1.318 ( 0.000 3.264 -4.781) 5.789 1.318 ( 0.000 3.264 4.781) 5.789 1.341 ( 0.000 -3.508 -3.140) 4.708 1.341 ( 0.000 -3.508 3.140) 4.708 1.380 ( 0.000 -1.197 -3.594) 3.788 1.380 ( 0.000 -1.197 3.594) 3.788 1.420 ( 0.000 1.245 -2.104) 2.444 1.420 ( 0.000 1.245 2.104) 2.444 1.512 ( 0.000 1.562 -2.028) 2.560 1.512 ( 0.000 1.562 2.028) 2.560 1.518 ( 0.000 -0.382 -3.657) 3.676 1.518 ( 0.000 -0.382 3.657) 3.676 1.540 ( 0.000 -0.492 -3.195) 3.232 1.540 ( 0.000 -0.492 3.195) 3.232 1.582 ( 0.000 -1.533 -1.771) 2.342 1.582 ( 0.000 -1.533 1.771) 2.342 1.617 ( 0.000 -0.518 -4.766) 4.794 1.617 ( 0.000 -0.518 4.766) 4.794 1.650 ( 0.000 0.321 -3.660) 3.674 1.650 ( 0.000 0.321 3.660) 3.674 1.702 ( 0.000 1.783 -0.467) 1.843 1.702 ( 0.000 1.783 0.467) 1.843 1.710 ( 0.000 1.121 -4.701) 4.833 1.710 ( 0.000 1.121 4.701) 4.833 1.766 ( 0.000 -0.865 -4.857) 4.933 1.766 ( 0.000 -0.865 4.857) 4.933 1.790 ( 0.000 -0.372 -2.653) 2.679 1.790 ( 0.000 -0.372 2.653) 2.679 1.830 ( 0.000 -2.794 -2.529) 3.768 1.830 ( 0.000 -2.794 2.529) 3.768 1.845 ( 0.000 -1.886 -4.431) 4.816 1.845 ( 0.000 -1.886 4.431) 4.816 1.901 ( 0.000 0.200 -4.378) 4.383 1.901 ( 0.000 0.200 4.378) 4.383 1.919 ( 0.000 -1.054 -3.681) 3.829 1.919 ( 0.000 -1.054 3.681) 3.829 1.969 ( 0.000 -0.527 -6.053) 6.076 1.969 ( 0.000 -0.527 6.053) 6.076 1.974 ( 0.000 -1.330 -1.798) 2.237 1.974 ( 0.000 -1.330 1.798) 2.237 2.037 ( 0.000 -0.555 -1.810) 1.893 2.037 ( 0.000 -0.555 1.810) 1.893 2.057 ( 0.000 -0.169 -2.416) 2.422 2.057 ( 0.000 -0.169 2.416) 2.422 2.079 ( 0.000 1.613 -4.353) 4.642 2.079 ( 0.000 1.613 4.353) 4.642 2.149 ( 0.000 -0.836 -5.111) 5.179 2.149 ( 0.000 -0.836 5.111) 5.179 2.205 ( 0.000 -3.151 -2.095) 3.784 2.205 ( 0.000 -3.151 2.095) 3.784 2.262 ( 0.000 -2.918 -1.010) 3.088 2.262 ( 0.000 -2.918 1.010) 3.088 2.302 ( 0.000 0.755 -2.044) 2.179 2.302 ( 0.000 0.755 2.044) 2.179 2.314 ( 0.000 0.224 -4.716) 4.722 2.314 ( 0.000 0.224 4.716) 4.722 2.361 ( 0.000 2.685 -4.078) 4.882 2.361 ( 0.000 2.685 4.078) 4.882 2.387 ( 0.000 2.308 -4.313) 4.892 2.387 ( 0.000 2.308 4.313) 4.892 2.424 ( 0.000 3.032 -2.145) 3.714 2.424 ( 0.000 3.032 2.145) 3.714 2.489 ( 0.000 0.052 -3.706) 3.706 2.489 ( 0.000 0.052 3.706) 3.706 2.510 ( 0.000 0.752 -2.725) 2.827 2.510 ( 0.000 0.752 2.725) 2.827 2.597 ( 0.000 -0.272 -2.535) 2.549 2.597 ( 0.000 -0.272 2.535) 2.549 2.627 ( 0.000 2.560 -0.544) 2.617 2.627 ( 0.000 2.560 0.544) 2.617 2.637 ( 0.000 0.905 -3.998) 4.099 2.637 ( 0.000 0.905 3.998) 4.099 2.674 ( 0.000 0.562 -3.025) 3.077 2.674 ( 0.000 0.562 3.025) 3.077 2.722 ( 0.000 -0.495 -1.724) 1.794 2.722 ( 0.000 -0.495 1.724) 1.794 2.755 ( 0.000 0.078 -1.291) 1.293 2.755 ( 0.000 0.078 1.291) 1.293 2.793 ( 0.000 1.442 -1.889) 2.377 2.793 ( 0.000 1.442 1.889) 2.377 2.898 ( 0.000 1.079 -1.252) 1.653 2.898 ( 0.000 1.079 1.252) 1.653 2.971 ( 0.000 -2.754 -3.536) 4.482 2.971 ( 0.000 -2.754 3.536) 4.482 3.004 ( 0.000 -2.178 -2.215) 3.107 3.004 ( 0.000 -2.178 2.215) 3.107 3.013 ( 0.000 -0.440 -0.865) 0.971 3.013 ( 0.000 -0.440 0.865) 0.971 3.074 ( 0.000 0.908 -0.711) 1.153 3.074 ( 0.000 0.908 0.711) 1.153 3.098 ( 0.000 -0.630 -2.786) 2.856 3.098 ( 0.000 -0.630 2.786) 2.856 3.125 ( 0.000 1.997 -1.518) 2.509 3.125 ( 0.000 1.997 1.518) 2.509 3.165 ( 0.000 0.200 -2.406) 2.415 3.165 ( 0.000 0.200 2.406) 2.415 3.197 ( 0.000 1.014 -2.844) 3.019 3.197 ( 0.000 1.014 2.844) 3.019 3.205 ( 0.000 -1.315 -2.518) 2.841 3.205 ( 0.000 -1.315 2.518) 2.841 3.264 ( 0.000 0.847 -1.541) 1.758 3.264 ( 0.000 0.847 1.541) 1.758 3.276 ( 0.000 0.082 -1.322) 1.325 3.276 ( 0.000 0.082 1.322) 1.325 3.383 ( 0.000 0.936 -0.825) 1.248 3.383 ( 0.000 0.936 0.825) 1.248 3.387 ( 0.000 1.228 -1.924) 2.283 3.387 ( 0.000 1.228 1.924) 2.283 3.419 ( 0.000 1.572 -0.746) 1.740 3.419 ( 0.000 1.572 0.746) 1.740 3.517 ( 0.000 -1.915 -0.534) 1.988 3.517 ( 0.000 -1.915 0.534) 1.988 3.532 ( 0.000 -0.592 -3.242) 3.296 3.532 ( 0.000 -0.592 3.242) 3.296 3.580 ( 0.000 -2.436 -2.242) 3.311 3.580 ( 0.000 -2.436 2.242) 3.311 3.686 ( 0.000 1.286 -1.430) 1.923 3.686 ( 0.000 1.286 1.430) 1.923 3.758 ( 0.000 -2.288 -1.091) 2.535 3.758 ( 0.000 -2.288 1.091) 2.535 3.903 ( 0.000 0.157 -1.194) 1.204 3.903 ( 0.000 0.157 1.194) 1.204 3.912 ( 0.000 -0.313 -1.316) 1.353 3.912 ( 0.000 -0.313 1.316) 1.353 4.082 ( 0.000 0.694 -0.817) 1.072 4.082 ( 0.000 0.694 0.817) 1.072 4.105 ( 0.000 -0.229 -0.470) 0.522 4.105 ( 0.000 -0.229 0.470) 0.522 4.279 ( 0.000 0.268 -0.153) 0.308 4.279 ( 0.000 0.268 0.153) 0.308 4.293 ( 0.000 -0.291 -0.739) 0.794 4.293 ( 0.000 -0.291 0.739) 0.794 4.935 ( 0.000 -0.306 -1.251) 1.288 4.935 ( 0.000 -0.306 1.251) 1.288 4.939 ( 0.000 -0.283 -1.357) 1.386 4.939 ( 0.000 -0.283 1.357) 1.386 5.021 ( 0.000 0.994 -0.832) 1.296 5.021 ( 0.000 0.994 0.832) 1.296 5.066 ( 0.000 -0.874 -1.101) 1.405 5.066 ( 0.000 -0.874 1.101) 1.405 5.126 ( 0.000 0.119 -0.291) 0.314 5.126 ( 0.000 0.119 0.291) 0.314 5.135 ( 0.000 -0.436 -0.574) 0.721 5.135 ( 0.000 -0.436 0.574) 0.721 5.150 ( 0.000 0.313 -2.596) 2.615 5.150 ( 0.000 0.313 2.596) 2.615 5.169 ( 0.000 -0.547 -2.725) 2.779 5.169 ( 0.000 -0.547 2.725) 2.779 5.377 ( 0.000 -0.014 -3.246) 3.247 5.377 ( 0.000 -0.014 3.246) 3.247 5.381 ( 0.000 0.051 -0.552) 0.554 5.381 ( 0.000 0.051 0.552) 0.554 5.440 ( 0.000 0.332 -1.425) 1.464 5.440 ( 0.000 0.332 1.425) 1.464 5.451 ( 0.000 -0.463 -0.946) 1.053 5.451 ( 0.000 -0.463 0.946) 1.053 5.580 ( 0.000 1.576 -6.066) 6.268 5.580 ( 0.000 1.576 6.066) 6.268 5.721 ( 0.000 0.177 -2.228) 2.235 5.721 ( 0.000 0.177 2.228) 2.235 5.734 ( 0.000 -4.934 -4.347) 6.576 5.734 ( 0.000 -4.934 4.347) 6.576 5.776 ( 0.000 -1.076 -2.850) 3.047 5.776 ( 0.000 -1.076 2.850) 3.047 5.827 ( 0.000 -0.017 -0.572) 0.572 5.827 ( 0.000 -0.017 0.572) 0.572 5.831 ( 0.000 -1.452 -0.970) 1.746 5.831 ( 0.000 -1.452 0.970) 1.746 5.948 ( 0.000 -0.172 -2.254) 2.260 5.948 ( 0.000 -0.172 2.254) 2.260 5.953 ( 0.000 -0.332 -1.917) 1.945 5.953 ( 0.000 -0.332 1.917) 1.945 6.013 ( 0.000 0.547 -0.588) 0.803 6.013 ( 0.000 0.547 0.588) 0.803 6.056 ( 0.000 -1.464 -1.011) 1.779 6.056 ( 0.000 -1.464 1.011) 1.779 6.158 ( 0.000 1.485 -1.062) 1.826 6.158 ( 0.000 1.485 1.062) 1.826 6.184 ( 0.000 0.150 -1.176) 1.185 6.184 ( 0.000 0.150 1.176) 1.185 6.677 ( 0.000 0.184 -0.237) 0.300 6.677 ( 0.000 0.184 0.237) 0.300 6.681 ( 0.000 1.567 -0.089) 1.570 6.681 ( 0.000 1.567 0.089) 1.570 6.736 ( 0.000 0.146 -0.967) 0.978 6.736 ( 0.000 0.146 0.967) 0.978 6.742 ( 0.000 -2.882 -0.791) 2.989 6.742 ( 0.000 -2.882 0.791) 2.989 6.841 ( 0.000 1.730 -0.594) 1.830 6.841 ( 0.000 1.730 0.594) 1.830 6.864 ( 0.000 2.001 -0.865) 2.180 6.864 ( 0.000 2.001 0.865) 2.180 6.892 ( 0.000 3.681 -1.739) 4.071 6.892 ( 0.000 3.681 1.739) 4.071 7.039 ( 0.000 -2.069 -2.000) 2.878 7.039 ( 0.000 -2.069 2.000) 2.878 ======================= Grid point 62 (23/27) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 5.435 3.021 -11.834) 13.368 0.711 ( 5.435 3.021 11.834) 13.368 0.800 ( 7.458 5.819 -10.872) 14.411 0.800 ( 7.458 5.819 10.872) 14.411 0.967 ( -0.634 -5.622 -2.913) 6.363 0.967 ( -0.634 -5.622 2.913) 6.363 1.054 ( -5.733 -2.519 -3.198) 7.032 1.054 ( -5.733 -2.519 3.198) 7.032 1.093 ( -4.381 -2.072 -0.791) 4.910 1.093 ( -4.381 -2.072 0.791) 4.910 1.124 ( -2.797 -1.672 -3.822) 5.023 1.124 ( -2.797 -1.672 3.822) 5.023 1.167 ( 2.068 -2.916 -0.210) 3.581 1.167 ( 2.068 -2.916 0.210) 3.581 1.213 ( 0.565 1.325 -5.983) 6.154 1.213 ( 0.565 1.325 5.983) 6.154 1.272 ( 0.363 -1.614 -2.678) 3.148 1.272 ( 0.363 -1.614 2.678) 3.148 1.298 ( -0.369 -0.381 -1.728) 1.808 1.298 ( -0.369 -0.381 1.728) 1.808 1.349 ( 3.379 2.351 -2.770) 4.962 1.349 ( 3.379 2.351 2.770) 4.962 1.396 ( 2.611 -1.145 -0.347) 2.872 1.396 ( 2.611 -1.145 0.347) 2.872 1.427 ( 6.724 0.947 -4.686) 8.250 1.427 ( 6.724 0.947 4.686) 8.250 1.488 ( 3.756 0.835 -1.109) 4.005 1.488 ( 3.756 0.835 1.109) 4.005 1.502 ( 0.610 1.061 -2.356) 2.655 1.502 ( 0.610 1.061 2.356) 2.655 1.540 ( 1.671 0.256 -2.522) 3.036 1.540 ( 1.671 0.256 2.522) 3.036 1.558 ( 0.455 0.657 -2.459) 2.585 1.558 ( 0.455 0.657 2.459) 2.585 1.590 ( 0.167 -1.212 -1.674) 2.074 1.590 ( 0.167 -1.212 1.674) 2.074 1.605 ( 1.541 0.007 -0.185) 1.552 1.605 ( 1.541 0.007 0.185) 1.552 1.671 ( 0.255 0.534 -2.324) 2.399 1.671 ( 0.255 0.534 2.324) 2.399 1.683 ( 0.197 -0.927 -2.133) 2.334 1.683 ( 0.197 -0.927 2.133) 2.334 1.730 ( 0.680 2.335 -1.190) 2.707 1.730 ( 0.680 2.335 1.190) 2.707 1.768 ( -0.563 -1.442 -2.155) 2.653 1.768 ( -0.563 -1.442 2.155) 2.653 1.798 ( 1.004 0.414 -2.634) 2.850 1.798 ( 1.004 0.414 2.634) 2.850 1.829 ( -0.407 -0.715 -1.613) 1.811 1.829 ( -0.407 -0.715 1.613) 1.811 1.861 ( -1.012 -0.133 -3.663) 3.803 1.861 ( -1.012 -0.133 3.663) 3.803 1.889 ( -1.944 -0.197 -2.383) 3.082 1.889 ( -1.944 -0.197 2.383) 3.082 1.918 ( 1.258 -0.606 -1.960) 2.407 1.918 ( 1.258 -0.606 1.960) 2.407 1.952 ( 1.585 0.666 -3.806) 4.176 1.952 ( 1.585 0.666 3.806) 4.176 1.994 ( 0.236 -0.650 -0.612) 0.923 1.994 ( 0.236 -0.650 0.612) 0.923 2.027 ( 1.268 -0.386 -1.658) 2.123 2.027 ( 1.268 -0.386 1.658) 2.123 2.066 ( 1.125 -0.400 -1.010) 1.564 2.066 ( 1.125 -0.400 1.010) 1.564 2.120 ( 1.108 -1.344 -1.890) 2.570 2.120 ( 1.108 -1.344 1.890) 2.570 2.159 ( 0.016 -2.831 -0.759) 2.931 2.159 ( 0.016 -2.831 0.759) 2.931 2.219 ( -1.017 -0.911 -0.859) 1.613 2.219 ( -1.017 -0.911 0.859) 1.613 2.229 ( -1.912 0.924 -2.193) 3.053 2.229 ( -1.912 0.924 2.193) 3.053 2.276 ( 0.992 -1.924 -1.012) 2.390 2.276 ( 0.992 -1.924 1.012) 2.390 2.328 ( -1.557 0.952 -0.628) 1.930 2.328 ( -1.557 0.952 0.628) 1.930 2.358 ( 0.360 0.618 -2.186) 2.300 2.358 ( 0.360 0.618 2.186) 2.300 2.389 ( 0.421 0.573 -2.181) 2.294 2.389 ( 0.421 0.573 2.181) 2.294 2.442 ( 1.547 0.955 -0.283) 1.840 2.442 ( 1.547 0.955 0.283) 1.840 2.507 ( 2.644 -0.900 -2.995) 4.095 2.507 ( 2.644 -0.900 2.995) 4.095 2.519 ( 0.055 2.182 -3.205) 3.878 2.519 ( 0.055 2.182 3.205) 3.878 2.552 ( -1.468 2.319 -2.570) 3.760 2.552 ( -1.468 2.319 2.570) 3.760 2.615 ( -0.402 0.338 -0.482) 0.713 2.615 ( -0.402 0.338 0.482) 0.713 2.650 ( -2.160 -0.312 -3.896) 4.466 2.650 ( -2.160 -0.312 3.896) 4.466 2.678 ( 1.111 1.511 -2.527) 3.147 2.678 ( 1.111 1.511 2.527) 3.147 2.722 ( -1.295 -0.149 -2.309) 2.652 2.722 ( -1.295 -0.149 2.309) 2.652 2.732 ( 0.667 -0.010 -0.442) 0.800 2.732 ( 0.667 -0.010 0.442) 0.800 2.779 ( -1.476 -0.470 -3.423) 3.757 2.779 ( -1.476 -0.470 3.423) 3.757 2.865 ( -3.889 0.694 -0.621) 3.999 2.865 ( -3.889 0.694 0.621) 3.999 2.900 ( -4.894 -0.249 -1.687) 5.182 2.900 ( -4.894 -0.249 1.687) 5.182 2.958 ( -3.661 -0.720 -1.257) 3.937 2.958 ( -3.661 -0.720 1.257) 3.937 2.998 ( -4.872 -0.547 -2.042) 5.311 2.998 ( -4.872 -0.547 2.042) 5.311 3.062 ( -0.717 1.612 -1.910) 2.600 3.062 ( -0.717 1.612 1.910) 2.600 3.095 ( -0.845 0.854 -1.373) 1.825 3.095 ( -0.845 0.854 1.373) 1.825 3.100 ( 0.157 -0.345 -1.157) 1.217 3.100 ( 0.157 -0.345 1.157) 1.217 3.152 ( -0.734 0.099 -1.528) 1.698 3.152 ( -0.734 0.099 1.528) 1.698 3.173 ( -0.333 -0.273 -0.868) 0.969 3.173 ( -0.333 -0.273 0.868) 0.969 3.205 ( 0.811 -1.308 -1.533) 2.172 3.205 ( 0.811 -1.308 1.533) 2.172 3.235 ( -0.217 1.289 -0.994) 1.642 3.235 ( -0.217 1.289 0.994) 1.642 3.286 ( -1.483 -0.510 -0.598) 1.679 3.286 ( -1.483 -0.510 0.598) 1.679 3.340 ( -2.713 0.774 -0.181) 2.827 3.340 ( -2.713 0.774 0.181) 2.827 3.380 ( -0.484 1.338 -1.201) 1.862 3.380 ( -0.484 1.338 1.201) 1.862 3.407 ( -3.300 0.217 -0.332) 3.324 3.407 ( -3.300 0.217 0.332) 3.324 3.467 ( -4.735 0.928 -3.023) 5.694 3.467 ( -4.735 0.928 3.023) 5.694 3.506 ( -1.377 -1.671 -1.701) 2.754 3.506 ( -1.377 -1.671 1.701) 2.754 3.530 ( -2.041 -1.251 -0.603) 2.468 3.530 ( -2.041 -1.251 0.603) 2.468 3.754 ( 5.602 0.601 -1.593) 5.855 3.754 ( 5.602 0.601 1.593) 5.855 3.771 ( 3.696 -0.003 -0.946) 3.816 3.771 ( 3.696 -0.003 0.946) 3.816 3.896 ( -0.150 0.858 -0.779) 1.169 3.896 ( -0.150 0.858 0.779) 1.169 3.943 ( -0.668 -1.132 -0.732) 1.504 3.943 ( -0.668 -1.132 0.732) 1.504 4.139 ( 4.526 0.996 -0.265) 4.642 4.139 ( 4.526 0.996 0.265) 4.642 4.183 ( 5.796 -0.978 -0.677) 5.916 4.183 ( 5.796 -0.978 0.677) 5.916 4.278 ( -1.063 0.286 -0.714) 1.312 4.278 ( -1.063 0.286 0.714) 1.312 4.311 ( 1.312 -1.337 -1.049) 2.147 4.311 ( 1.312 -1.337 1.049) 2.147 4.935 ( 0.205 -0.121 -0.931) 0.961 4.935 ( 0.205 -0.121 0.931) 0.961 4.942 ( 0.119 -0.277 -0.784) 0.840 4.942 ( 0.119 -0.277 0.784) 0.840 5.018 ( -0.140 0.674 -0.451) 0.823 5.018 ( -0.140 0.674 0.451) 0.823 5.047 ( -1.387 -0.540 -0.848) 1.714 5.047 ( -1.387 -0.540 0.848) 1.714 5.139 ( 1.074 0.147 -0.158) 1.095 5.139 ( 1.074 0.147 0.158) 1.095 5.151 ( 0.817 -0.280 -1.086) 1.388 5.151 ( 0.817 -0.280 1.086) 1.388 5.160 ( 0.740 0.051 -1.168) 1.384 5.160 ( 0.740 0.051 1.168) 1.384 5.169 ( 0.084 -0.305 -1.543) 1.575 5.169 ( 0.084 -0.305 1.543) 1.575 5.359 ( -0.666 0.346 -1.410) 1.597 5.359 ( -0.666 0.346 1.410) 1.597 5.378 ( -0.346 -0.538 -1.775) 1.887 5.378 ( -0.346 -0.538 1.775) 1.887 5.431 ( -0.075 0.943 -2.742) 2.901 5.431 ( -0.075 0.943 2.742) 2.901 5.481 ( 0.748 -1.218 -1.064) 1.782 5.481 ( 0.748 -1.218 1.064) 1.782 5.579 ( 0.184 0.910 -3.994) 4.101 5.579 ( 0.184 0.910 3.994) 4.101 5.646 ( -5.045 -2.367 -4.672) 7.273 5.646 ( -5.045 -2.367 4.672) 7.273 5.721 ( 0.067 0.924 -2.414) 2.585 5.721 ( 0.067 0.924 2.414) 2.585 5.757 ( -1.482 -0.398 -2.474) 2.911 5.757 ( -1.482 -0.398 2.474) 2.911 5.840 ( 2.226 0.605 -1.741) 2.890 5.840 ( 2.226 0.605 1.741) 2.890 5.875 ( 1.687 -1.045 -0.222) 1.997 5.875 ( 1.687 -1.045 0.222) 1.997 5.941 ( -0.793 -0.236 -1.339) 1.574 5.941 ( -0.793 -0.236 1.339) 1.574 5.946 ( -0.751 -0.402 -0.761) 1.142 5.946 ( -0.751 -0.402 0.761) 1.142 6.037 ( 1.986 0.773 -0.557) 2.203 6.037 ( 1.986 0.773 0.557) 2.203 6.107 ( 0.050 -0.859 -0.375) 0.939 6.107 ( 0.050 -0.859 0.375) 0.939 6.150 ( 3.469 -0.900 -0.696) 3.651 6.150 ( 3.469 -0.900 0.696) 3.651 6.224 ( 1.798 -1.937 -1.228) 2.914 6.224 ( 1.798 -1.937 1.228) 2.914 6.675 ( -0.082 0.535 -0.171) 0.568 6.675 ( -0.082 0.535 0.171) 0.568 6.680 ( -0.180 1.400 -0.077) 1.413 6.680 ( -0.180 1.400 0.077) 1.413 6.732 ( 0.013 -0.631 -0.622) 0.886 6.732 ( 0.013 -0.631 0.622) 0.886 6.747 ( 0.006 -1.742 -0.611) 1.847 6.747 ( 0.006 -1.742 0.611) 1.847 6.830 ( -0.285 2.589 -0.334) 2.626 6.830 ( -0.285 2.589 0.334) 2.626 6.861 ( -0.963 4.694 -1.588) 5.048 6.861 ( -0.963 4.694 1.588) 5.048 6.912 ( 2.186 -0.585 -0.119) 2.266 6.912 ( 2.186 -0.585 0.119) 2.266 7.018 ( -1.958 -2.132 -1.646) 3.330 7.018 ( -1.958 -2.132 1.646) 3.330 ======================= Grid point 64 (24/27) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( -6.982 0.168 -8.849) 11.273 0.855 ( 6.886 0.168 -8.841) 11.207 0.855 ( -6.886 0.168 8.841) 11.207 0.855 ( 6.982 0.168 8.849) 11.273 0.973 ( -5.473 3.405 -5.733) 8.627 0.973 ( 5.241 3.405 -5.709) 8.465 0.973 ( -5.241 3.405 5.709) 8.465 0.973 ( 5.473 3.405 5.733) 8.627 1.034 ( -2.319 -4.850 -2.940) 6.127 1.034 ( 1.418 -4.850 -2.876) 5.814 1.034 ( -1.418 -4.850 2.876) 5.814 1.034 ( 2.319 -4.850 2.940) 6.127 1.219 ( -1.191 -1.502 -4.237) 4.651 1.219 ( 0.939 -1.502 -4.230) 4.586 1.219 ( -0.939 -1.502 4.230) 4.586 1.219 ( 1.191 -1.502 4.237) 4.651 1.278 ( -0.863 -2.347 -3.734) 4.494 1.278 ( 0.691 -2.347 -3.730) 4.461 1.278 ( -0.691 -2.347 3.730) 4.461 1.278 ( 0.863 -2.347 3.734) 4.494 1.410 ( -1.409 0.002 -1.390) 1.980 1.410 ( 1.352 0.002 -1.384) 1.935 1.410 ( -1.352 0.002 1.384) 1.935 1.410 ( 1.409 0.002 1.390) 1.980 1.508 ( -0.587 0.432 -2.089) 2.213 1.508 ( 0.350 0.432 -2.084) 2.157 1.508 ( -0.350 0.432 2.084) 2.157 1.508 ( 0.587 0.432 2.089) 2.213 1.538 ( -1.684 0.989 -1.589) 2.517 1.538 ( 1.659 0.989 -1.586) 2.499 1.538 ( -1.659 0.989 1.586) 2.499 1.538 ( 1.684 0.989 1.589) 2.517 1.603 ( -1.683 0.423 -1.313) 2.176 1.603 ( 0.886 0.423 -1.223) 1.569 1.603 ( -0.886 0.423 1.223) 1.569 1.603 ( 1.683 0.423 1.313) 2.176 1.655 ( -3.269 0.327 -3.004) 4.452 1.655 ( 2.699 0.327 -2.940) 4.004 1.655 ( -2.699 0.327 2.940) 4.004 1.655 ( 3.269 0.327 3.004) 4.452 1.702 ( -2.203 -2.167 -2.137) 3.757 1.702 ( 1.817 -2.167 -2.096) 3.520 1.702 ( -1.817 -2.167 2.096) 3.520 1.702 ( 2.203 -2.167 2.137) 3.757 1.792 ( -3.014 2.761 -2.248) 4.665 1.792 ( 2.999 2.761 -2.246) 4.654 1.792 ( -2.999 2.761 2.246) 4.654 1.792 ( 3.014 2.761 2.248) 4.665 1.826 ( -0.997 1.379 -4.772) 5.066 1.826 ( 0.996 1.379 -4.772) 5.066 1.826 ( -0.996 1.379 4.772) 5.066 1.826 ( 0.997 1.379 4.772) 5.066 1.903 ( -3.213 0.599 -4.793) 5.802 1.903 ( 3.104 0.599 -4.785) 5.735 1.903 ( -3.104 0.599 4.785) 5.735 1.903 ( 3.213 0.599 4.793) 5.802 1.997 ( -1.208 -0.840 -2.960) 3.306 1.997 ( 1.151 -0.840 -2.958) 3.283 1.997 ( -1.151 -0.840 2.958) 3.283 1.997 ( 1.208 -0.840 2.960) 3.306 2.046 ( -2.474 1.067 -1.860) 3.274 2.046 ( 0.845 1.067 -1.691) 2.171 2.046 ( -0.845 1.067 1.691) 2.171 2.046 ( 2.474 1.067 1.860) 3.274 2.137 ( -1.759 -2.202 -2.734) 3.926 2.137 ( 1.101 -2.202 -2.696) 3.650 2.137 ( -1.101 -2.202 2.696) 3.650 2.137 ( 1.759 -2.202 2.734) 3.926 2.215 ( -3.395 0.102 -3.113) 4.608 2.215 ( 2.248 0.102 -2.996) 3.747 2.215 ( -2.248 0.102 2.996) 3.747 2.215 ( 3.395 0.102 3.113) 4.608 2.288 ( -2.766 0.570 -2.236) 3.602 2.288 ( 1.742 0.570 -2.118) 2.801 2.288 ( -1.742 0.570 2.118) 2.801 2.288 ( 2.766 0.570 2.236) 3.602 2.406 ( -1.953 -3.976 -1.728) 4.755 2.406 ( 0.777 -3.976 -1.622) 4.364 2.406 ( -0.777 -3.976 1.622) 4.364 2.406 ( 1.953 -3.976 1.728) 4.755 2.463 ( -2.523 -0.129 -3.247) 4.114 2.463 ( 2.420 -0.129 -3.239) 4.045 2.463 ( -2.420 -0.129 3.239) 4.045 2.463 ( 2.523 -0.129 3.247) 4.114 2.554 ( -2.465 0.450 -0.785) 2.626 2.554 ( -0.997 0.450 -0.226) 1.117 2.554 ( 0.997 0.450 0.226) 1.117 2.554 ( 2.465 0.450 0.785) 2.626 2.632 ( -2.159 0.723 -3.056) 3.811 2.632 ( 0.888 0.723 -2.985) 3.197 2.632 ( -0.888 0.723 2.985) 3.197 2.632 ( 2.159 0.723 3.056) 3.811 2.685 ( -7.133 -0.334 -1.984) 7.412 2.685 ( -4.194 -0.334 0.486) 4.235 2.685 ( 4.194 -0.334 -0.486) 4.235 2.685 ( 7.133 -0.334 1.984) 7.412 2.748 ( -2.132 2.518 -3.002) 4.461 2.748 ( 1.771 2.518 -2.976) 4.281 2.748 ( -1.771 2.518 2.976) 4.281 2.748 ( 2.132 2.518 3.002) 4.461 2.833 ( -5.896 -0.533 -2.714) 6.513 2.833 ( 4.204 -0.533 -2.338) 4.840 2.833 ( -4.204 -0.533 2.338) 4.840 2.833 ( 5.896 -0.533 2.714) 6.513 2.897 ( -2.762 0.670 -2.314) 3.665 2.897 ( 2.515 0.670 -2.283) 3.462 2.897 ( -2.515 0.670 2.283) 3.462 2.897 ( 2.762 0.670 2.314) 3.665 3.067 ( -1.062 1.770 -1.510) 2.557 3.067 ( 0.770 1.770 -1.491) 2.439 3.067 ( -0.770 1.770 1.491) 2.439 3.067 ( 1.062 1.770 1.510) 2.557 3.130 ( -1.501 -1.148 -1.214) 2.246 3.130 ( 0.997 -1.148 -1.155) 1.910 3.130 ( -0.997 -1.148 1.155) 1.910 3.130 ( 1.501 -1.148 1.214) 2.246 3.198 ( -1.293 -0.835 -1.721) 2.309 3.198 ( 0.276 -0.835 -1.668) 1.886 3.198 ( -0.276 -0.835 1.668) 1.886 3.198 ( 1.293 -0.835 1.721) 2.309 3.263 ( -1.311 0.106 -1.243) 1.810 3.263 ( 0.095 0.106 -1.164) 1.173 3.263 ( -0.095 0.106 1.164) 1.173 3.263 ( 1.311 0.106 1.243) 1.810 3.305 ( -1.935 -0.486 -1.139) 2.297 3.305 ( 1.335 -0.486 -1.039) 1.760 3.305 ( -1.335 -0.486 1.039) 1.760 3.305 ( 1.935 -0.486 1.139) 2.297 3.406 ( -1.257 2.586 -2.850) 4.048 3.406 ( 0.648 2.586 -2.827) 3.886 3.406 ( -0.648 2.586 2.827) 3.886 3.406 ( 1.257 2.586 2.850) 4.048 3.502 ( -0.279 -1.254 -3.907) 4.113 3.502 ( 0.205 -1.254 -3.906) 4.108 3.502 ( -0.205 -1.254 3.906) 4.108 3.502 ( 0.279 -1.254 3.907) 4.113 3.855 ( -2.274 0.651 -0.549) 2.428 3.855 ( -1.570 0.651 0.016) 1.699 3.855 ( 1.570 0.651 -0.016) 1.699 3.855 ( 2.274 0.651 0.549) 2.428 3.879 ( -4.026 -0.210 -0.512) 4.064 3.879 ( -3.921 -0.210 0.411) 3.948 3.879 ( 3.921 -0.210 -0.411) 3.948 3.879 ( 4.026 -0.210 0.512) 4.064 4.226 ( -3.220 0.790 -0.528) 3.357 4.226 ( -2.954 0.790 0.311) 3.074 4.226 ( 2.954 0.790 -0.311) 3.074 4.226 ( 3.220 0.790 0.528) 3.357 4.293 ( -3.167 -1.694 -1.075) 3.749 4.293 ( 0.739 -1.694 -0.318) 1.875 4.293 ( -0.739 -1.694 0.318) 1.875 4.293 ( 3.167 -1.694 1.075) 3.749 4.941 ( -0.218 -0.123 -0.190) 0.315 4.941 ( 0.218 -0.123 -0.190) 0.314 4.941 ( -0.218 -0.123 0.190) 0.314 4.941 ( 0.218 -0.123 0.190) 0.315 5.023 ( -0.739 0.060 -0.302) 0.801 5.023 ( 0.159 0.060 -0.182) 0.249 5.023 ( -0.159 0.060 0.182) 0.249 5.023 ( 0.739 0.060 0.302) 0.801 5.157 ( -0.415 0.015 -0.615) 0.742 5.157 ( 0.410 0.015 -0.615) 0.740 5.157 ( -0.410 0.015 0.615) 0.740 5.157 ( 0.415 0.015 0.615) 0.742 5.169 ( -0.162 -0.097 -0.735) 0.759 5.169 ( 0.155 -0.097 -0.735) 0.757 5.169 ( -0.155 -0.097 0.735) 0.757 5.169 ( 0.162 -0.097 0.735) 0.759 5.364 ( -0.927 0.321 -1.267) 1.603 5.364 ( 0.922 0.321 -1.267) 1.599 5.364 ( -0.922 0.321 1.267) 1.599 5.364 ( 0.927 0.321 1.267) 1.603 5.455 ( -2.444 -1.011 -1.305) 2.949 5.455 ( 2.395 -1.011 -1.295) 2.904 5.455 ( -2.395 -1.011 1.295) 2.904 5.455 ( 2.444 -1.011 1.305) 2.949 5.589 ( -0.949 0.096 -0.505) 1.079 5.589 ( 0.941 0.096 -0.504) 1.071 5.589 ( -0.941 0.096 0.504) 1.071 5.589 ( 0.949 0.096 0.505) 1.079 5.731 ( -0.882 0.486 -0.136) 1.016 5.731 ( -0.784 0.486 0.014) 0.922 5.731 ( 0.784 0.486 -0.014) 0.922 5.731 ( 0.882 0.486 0.136) 1.016 5.888 ( -1.409 0.306 -0.585) 1.556 5.888 ( 0.299 0.306 -0.362) 0.561 5.888 ( -0.299 0.306 0.362) 0.561 5.888 ( 1.409 0.306 0.585) 1.556 5.927 ( -0.463 -0.318 -0.649) 0.859 5.927 ( 0.421 -0.318 -0.646) 0.834 5.927 ( -0.421 -0.318 0.646) 0.834 5.927 ( 0.463 -0.318 0.649) 0.859 6.078 ( -1.753 1.161 -0.716) 2.221 6.078 ( 0.009 1.161 -0.414) 1.232 6.078 ( -0.009 1.161 0.414) 1.232 6.078 ( 1.753 1.161 0.716) 2.221 6.225 ( -1.378 -3.607 -2.508) 4.604 6.225 ( 0.533 -3.607 -2.472) 4.405 6.225 ( -0.533 -3.607 2.472) 4.405 6.225 ( 1.378 -3.607 2.508) 4.604 6.676 ( -0.130 1.069 -0.170) 1.090 6.676 ( 0.101 1.069 -0.168) 1.087 6.676 ( -0.101 1.069 0.168) 1.087 6.676 ( 0.130 1.069 0.170) 1.090 6.739 ( -0.579 -0.892 -0.393) 1.134 6.739 ( 0.472 -0.892 -0.377) 1.078 6.739 ( -0.472 -0.892 0.377) 1.078 6.739 ( 0.579 -0.892 0.393) 1.134 6.838 ( -0.938 3.689 -0.609) 3.855 6.838 ( 0.767 3.689 -0.582) 3.813 6.838 ( -0.767 3.689 0.582) 3.813 6.838 ( 0.938 3.689 0.609) 3.855 6.966 ( -2.867 -1.908 -0.862) 3.550 6.966 ( -2.423 -1.908 0.694) 3.161 6.966 ( 2.423 -1.908 -0.694) 3.161 6.966 ( 2.867 -1.908 0.862) 3.550 ======================= Grid point 70 (25/27) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 0.000 -0.488 -6.057) 6.077 0.804 ( 0.000 0.488 -6.057) 6.077 0.804 ( 0.000 -0.488 6.057) 6.077 0.804 ( 0.000 0.488 6.057) 6.077 0.894 ( 0.000 -4.666 -2.364) 5.231 0.894 ( 0.000 -4.666 2.364) 5.231 0.894 ( 0.000 4.666 -2.364) 5.231 0.894 ( 0.000 4.666 2.364) 5.231 1.139 ( 0.000 -2.081 -3.410) 3.995 1.139 ( 0.000 2.081 -3.410) 3.995 1.139 ( 0.000 -2.081 3.410) 3.995 1.139 ( 0.000 2.081 3.410) 3.995 1.210 ( 0.000 -1.107 -2.081) 2.357 1.210 ( 0.000 1.107 -2.081) 2.357 1.210 ( 0.000 -1.107 2.081) 2.357 1.210 ( 0.000 1.107 2.081) 2.357 1.271 ( 0.000 -1.996 -3.192) 3.765 1.271 ( 0.000 1.996 -3.192) 3.765 1.271 ( 0.000 -1.996 3.192) 3.765 1.271 ( 0.000 1.996 3.192) 3.765 1.338 ( 0.000 -2.414 -1.938) 3.096 1.338 ( 0.000 2.414 -1.938) 3.096 1.338 ( 0.000 -2.414 1.938) 3.096 1.338 ( 0.000 2.414 1.938) 3.096 1.413 ( 0.000 -3.594 -6.449) 7.383 1.413 ( 0.000 3.594 -6.449) 7.383 1.413 ( 0.000 -3.594 6.449) 7.383 1.413 ( 0.000 3.594 6.449) 7.383 1.506 ( 0.000 -0.546 -0.947) 1.093 1.506 ( 0.000 0.546 -0.947) 1.093 1.506 ( 0.000 -0.546 0.947) 1.093 1.506 ( 0.000 0.546 0.947) 1.093 1.564 ( 0.000 -1.110 -0.543) 1.235 1.564 ( 0.000 -1.110 0.543) 1.235 1.564 ( 0.000 1.110 -0.543) 1.235 1.564 ( 0.000 1.110 0.543) 1.235 1.626 ( 0.000 -1.710 -3.757) 4.128 1.626 ( 0.000 1.710 -3.757) 4.128 1.626 ( 0.000 -1.710 3.757) 4.128 1.626 ( 0.000 1.710 3.757) 4.128 1.724 ( 0.000 -1.699 -2.504) 3.026 1.724 ( 0.000 1.699 -2.504) 3.026 1.724 ( 0.000 -1.699 2.504) 3.026 1.724 ( 0.000 1.699 2.504) 3.026 1.765 ( 0.000 -3.292 -4.119) 5.273 1.765 ( 0.000 3.292 -4.119) 5.273 1.765 ( 0.000 -3.292 4.119) 5.273 1.765 ( 0.000 3.292 4.119) 5.273 1.805 ( 0.000 -1.480 -3.700) 3.985 1.805 ( 0.000 1.480 -3.700) 3.985 1.805 ( 0.000 -1.480 3.700) 3.985 1.805 ( 0.000 1.480 3.700) 3.985 1.907 ( 0.000 -0.179 -2.111) 2.118 1.907 ( 0.000 0.179 -2.111) 2.118 1.907 ( 0.000 -0.179 2.111) 2.118 1.907 ( 0.000 0.179 2.111) 2.118 1.964 ( 0.000 -0.067 -4.528) 4.528 1.964 ( 0.000 0.067 -4.528) 4.528 1.964 ( 0.000 -0.067 4.528) 4.528 1.964 ( 0.000 0.067 4.528) 4.528 2.046 ( 0.000 -0.852 -0.984) 1.301 2.046 ( 0.000 0.852 -0.984) 1.301 2.046 ( 0.000 -0.852 0.984) 1.301 2.046 ( 0.000 0.852 0.984) 1.301 2.126 ( 0.000 -3.211 -4.235) 5.314 2.126 ( 0.000 3.211 -4.235) 5.314 2.126 ( 0.000 -3.211 4.235) 5.314 2.126 ( 0.000 3.211 4.235) 5.314 2.193 ( 0.000 -3.414 -1.797) 3.858 2.193 ( 0.000 -3.414 1.797) 3.858 2.193 ( 0.000 3.414 -1.797) 3.858 2.193 ( 0.000 3.414 1.797) 3.858 2.311 ( 0.000 -0.297 -5.250) 5.258 2.311 ( 0.000 0.297 -5.250) 5.258 2.311 ( 0.000 -0.297 5.250) 5.258 2.311 ( 0.000 0.297 5.250) 5.258 2.400 ( 0.000 -1.005 -3.676) 3.811 2.400 ( 0.000 1.005 -3.676) 3.811 2.400 ( 0.000 -1.005 3.676) 3.811 2.400 ( 0.000 1.005 3.676) 3.811 2.472 ( 0.000 -2.089 -0.564) 2.164 2.472 ( 0.000 -2.089 0.564) 2.164 2.472 ( 0.000 2.089 -0.564) 2.164 2.472 ( 0.000 2.089 0.564) 2.164 2.562 ( 0.000 -3.365 -3.821) 5.091 2.562 ( 0.000 3.365 -3.821) 5.091 2.562 ( 0.000 -3.365 3.821) 5.091 2.562 ( 0.000 3.365 3.821) 5.091 2.650 ( 0.000 -0.189 -3.135) 3.140 2.650 ( 0.000 0.189 -3.135) 3.140 2.650 ( 0.000 -0.189 3.135) 3.140 2.650 ( 0.000 0.189 3.135) 3.140 2.697 ( 0.000 -1.789 -1.146) 2.125 2.697 ( 0.000 -1.789 1.146) 2.125 2.697 ( 0.000 1.789 -1.146) 2.125 2.697 ( 0.000 1.789 1.146) 2.125 2.784 ( 0.000 -2.161 -1.797) 2.810 2.784 ( 0.000 2.161 -1.797) 2.810 2.784 ( 0.000 -2.161 1.797) 2.810 2.784 ( 0.000 2.161 1.797) 2.810 2.926 ( 0.000 -1.909 -2.617) 3.239 2.926 ( 0.000 1.909 -2.617) 3.239 2.926 ( 0.000 -1.909 2.617) 3.239 2.926 ( 0.000 1.909 2.617) 3.239 2.997 ( 0.000 -0.980 -1.799) 2.049 2.997 ( 0.000 0.980 -1.799) 2.049 2.997 ( 0.000 -0.980 1.799) 2.049 2.997 ( 0.000 0.980 1.799) 2.049 3.087 ( 0.000 -0.522 -1.349) 1.446 3.087 ( 0.000 0.522 -1.349) 1.446 3.087 ( 0.000 -0.522 1.349) 1.446 3.087 ( 0.000 0.522 1.349) 1.446 3.161 ( 0.000 -1.651 -1.914) 2.528 3.161 ( 0.000 1.651 -1.914) 2.528 3.161 ( 0.000 -1.651 1.914) 2.528 3.161 ( 0.000 1.651 1.914) 2.528 3.193 ( 0.000 -0.852 -1.624) 1.834 3.193 ( 0.000 0.852 -1.624) 1.834 3.193 ( 0.000 -0.852 1.624) 1.834 3.193 ( 0.000 0.852 1.624) 1.834 3.277 ( 0.000 -0.305 -1.383) 1.416 3.277 ( 0.000 0.305 -1.383) 1.416 3.277 ( 0.000 -0.305 1.383) 1.416 3.277 ( 0.000 0.305 1.383) 1.416 3.398 ( 0.000 -0.292 -1.027) 1.067 3.398 ( 0.000 0.292 -1.027) 1.067 3.398 ( 0.000 -0.292 1.027) 1.067 3.398 ( 0.000 0.292 1.027) 1.067 3.467 ( 0.000 -3.206 -1.204) 3.424 3.467 ( 0.000 -3.206 1.204) 3.424 3.467 ( 0.000 3.206 -1.204) 3.424 3.467 ( 0.000 3.206 1.204) 3.424 3.537 ( 0.000 -1.503 -4.531) 4.774 3.537 ( 0.000 1.503 -4.531) 4.774 3.537 ( 0.000 -1.503 4.531) 4.774 3.537 ( 0.000 1.503 4.531) 4.774 3.717 ( 0.000 -1.966 -0.740) 2.101 3.717 ( 0.000 -1.966 0.740) 2.101 3.717 ( 0.000 1.966 -0.740) 2.101 3.717 ( 0.000 1.966 0.740) 2.101 3.907 ( 0.000 -0.243 -1.550) 1.569 3.907 ( 0.000 0.243 -1.550) 1.569 3.907 ( 0.000 -0.243 1.550) 1.569 3.907 ( 0.000 0.243 1.550) 1.569 4.096 ( 0.000 -0.682 -0.251) 0.726 4.096 ( 0.000 -0.682 0.251) 0.726 4.096 ( 0.000 0.682 -0.251) 0.726 4.096 ( 0.000 0.682 0.251) 0.726 4.286 ( 0.000 -0.414 -0.475) 0.630 4.286 ( 0.000 0.414 -0.475) 0.630 4.286 ( 0.000 -0.414 0.475) 0.630 4.286 ( 0.000 0.414 0.475) 0.630 4.934 ( 0.000 -0.214 -1.317) 1.334 4.934 ( 0.000 0.214 -1.317) 1.334 4.934 ( 0.000 -0.214 1.317) 1.334 4.934 ( 0.000 0.214 1.317) 1.334 5.044 ( 0.000 -1.368 -1.049) 1.724 5.044 ( 0.000 1.368 -1.049) 1.724 5.044 ( 0.000 -1.368 1.049) 1.724 5.044 ( 0.000 1.368 1.049) 1.724 5.128 ( 0.000 -0.221 -0.452) 0.503 5.128 ( 0.000 0.221 -0.452) 0.503 5.128 ( 0.000 -0.221 0.452) 0.503 5.128 ( 0.000 0.221 0.452) 0.503 5.158 ( 0.000 -0.529 -2.799) 2.849 5.158 ( 0.000 0.529 -2.799) 2.849 5.158 ( 0.000 -0.529 2.799) 2.849 5.158 ( 0.000 0.529 2.799) 2.849 5.379 ( 0.000 -0.204 -2.072) 2.082 5.379 ( 0.000 0.204 -2.072) 2.082 5.379 ( 0.000 -0.204 2.072) 2.082 5.379 ( 0.000 0.204 2.072) 2.082 5.445 ( 0.000 -0.231 -1.546) 1.563 5.445 ( 0.000 0.231 -1.546) 1.563 5.445 ( 0.000 -0.231 1.546) 1.563 5.445 ( 0.000 0.231 1.546) 1.563 5.630 ( 0.000 -4.115 -6.715) 7.875 5.630 ( 0.000 4.115 -6.715) 7.875 5.630 ( 0.000 -4.115 6.715) 7.875 5.630 ( 0.000 4.115 6.715) 7.875 5.750 ( 0.000 -1.541 -3.456) 3.784 5.750 ( 0.000 1.541 -3.456) 3.784 5.750 ( 0.000 -1.541 3.456) 3.784 5.750 ( 0.000 1.541 3.456) 3.784 5.826 ( 0.000 -0.135 -1.416) 1.422 5.826 ( 0.000 0.135 -1.416) 1.422 5.826 ( 0.000 -0.135 1.416) 1.422 5.826 ( 0.000 0.135 1.416) 1.422 5.947 ( 0.000 -0.163 -2.059) 2.066 5.947 ( 0.000 0.163 -2.059) 2.066 5.947 ( 0.000 -0.163 2.059) 2.066 5.947 ( 0.000 0.163 2.059) 2.066 6.030 ( 0.000 -1.234 -0.730) 1.434 6.030 ( 0.000 -1.234 0.730) 1.434 6.030 ( 0.000 1.234 -0.730) 1.434 6.030 ( 0.000 1.234 0.730) 1.434 6.181 ( 0.000 -0.723 -1.568) 1.727 6.181 ( 0.000 0.723 -1.568) 1.727 6.181 ( 0.000 -0.723 1.568) 1.727 6.181 ( 0.000 0.723 1.568) 1.727 6.695 ( 0.000 -1.778 -0.701) 1.911 6.695 ( 0.000 -1.778 0.701) 1.911 6.695 ( 0.000 1.778 -0.701) 1.911 6.695 ( 0.000 1.778 0.701) 1.911 6.716 ( 0.000 -1.723 -0.149) 1.730 6.716 ( 0.000 -1.723 0.149) 1.730 6.716 ( 0.000 1.723 -0.149) 1.730 6.716 ( 0.000 1.723 0.149) 1.730 6.864 ( 0.000 -0.719 -0.403) 0.824 6.864 ( 0.000 -0.719 0.403) 0.824 6.864 ( 0.000 0.719 -0.403) 0.824 6.864 ( 0.000 0.719 0.403) 0.824 6.982 ( 0.000 -4.203 -3.720) 5.613 6.982 ( 0.000 4.203 -3.720) 5.613 6.982 ( 0.000 -4.203 3.720) 5.613 6.982 ( 0.000 4.203 3.720) 5.613 ======================= Grid point 74 (26/27) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.820 ( 2.339 -7.451 -7.454) 10.795 0.820 ( 2.339 7.411 -7.436) 10.756 0.820 ( 2.339 -7.411 7.436) 10.756 0.820 ( 2.339 7.451 7.454) 10.795 0.950 ( 3.376 -7.668 -7.228) 11.065 0.950 ( 3.376 7.479 -7.139) 10.877 0.950 ( 3.376 -7.479 7.139) 10.877 0.950 ( 3.376 7.668 7.228) 11.065 1.065 ( -3.858 -0.734 -3.700) 5.396 1.065 ( -3.858 0.278 -3.672) 5.334 1.065 ( -3.858 -0.278 3.672) 5.334 1.065 ( -3.858 0.734 3.700) 5.396 1.198 ( -2.947 -2.591 -3.041) 4.965 1.198 ( -2.947 -0.764 -2.554) 3.974 1.198 ( -2.947 0.764 2.554) 3.974 1.198 ( -2.947 2.591 3.041) 4.965 1.283 ( -0.039 -2.363 -3.645) 4.344 1.283 ( -0.039 2.101 -3.572) 4.144 1.283 ( -0.039 -2.101 3.572) 4.144 1.283 ( -0.039 2.363 3.645) 4.344 1.368 ( 3.203 -1.606 -1.681) 3.958 1.368 ( 3.203 0.286 -1.310) 3.472 1.368 ( 3.203 -0.286 1.310) 3.472 1.368 ( 3.203 1.606 1.681) 3.958 1.468 ( 3.688 -1.897 -2.925) 5.075 1.468 ( 3.688 0.765 -2.687) 4.626 1.468 ( 3.688 -0.765 2.687) 4.626 1.468 ( 3.688 1.897 2.925) 5.075 1.536 ( 2.747 -1.874 -1.910) 3.835 1.536 ( 2.747 0.904 -1.565) 3.288 1.536 ( 2.747 -0.904 1.565) 3.288 1.536 ( 2.747 1.874 1.910) 3.835 1.590 ( 1.461 -1.281 -2.406) 3.093 1.590 ( 1.461 0.630 -2.288) 2.787 1.590 ( 1.461 -0.630 2.288) 2.787 1.590 ( 1.461 1.281 2.406) 3.093 1.622 ( 0.961 -2.838 -3.196) 4.381 1.622 ( 0.961 -1.011 -2.663) 3.006 1.622 ( 0.961 1.011 2.663) 3.006 1.622 ( 0.961 2.838 3.196) 4.381 1.706 ( -1.659 -2.024 -1.179) 2.870 1.706 ( -1.659 -1.061 -0.267) 1.987 1.706 ( -1.659 1.061 0.267) 1.987 1.706 ( -1.659 2.024 1.179) 2.870 1.783 ( 1.650 -1.231 -3.162) 3.773 1.783 ( 1.650 0.867 -3.108) 3.624 1.783 ( 1.650 -0.867 3.108) 3.624 1.783 ( 1.650 1.231 3.162) 3.773 1.832 ( 1.379 -1.441 -4.258) 4.702 1.832 ( 1.379 1.161 -4.220) 4.589 1.832 ( 1.379 -1.161 4.220) 4.589 1.832 ( 1.379 1.441 4.258) 4.702 1.905 ( -0.196 -0.749 -3.438) 3.524 1.905 ( -0.196 0.742 -3.438) 3.522 1.905 ( -0.196 -0.742 3.438) 3.522 1.905 ( -0.196 0.749 3.438) 3.524 1.967 ( 1.464 -1.472 -3.122) 3.749 1.967 ( 1.464 1.455 -3.119) 3.740 1.967 ( 1.464 -1.455 3.119) 3.740 1.967 ( 1.464 1.472 3.122) 3.749 2.045 ( 0.247 -1.537 -1.790) 2.372 2.045 ( 0.247 0.369 -1.489) 1.554 2.045 ( 0.247 -0.369 1.489) 1.554 2.045 ( 0.247 1.537 1.790) 2.372 2.127 ( -0.673 -1.872 -3.262) 3.820 2.127 ( -0.673 1.805 -3.245) 3.774 2.127 ( -0.673 -1.805 3.245) 3.774 2.127 ( -0.673 1.872 3.262) 3.820 2.215 ( 2.006 -2.464 -1.659) 3.585 2.215 ( 2.006 -0.261 -0.290) 2.044 2.215 ( 2.006 0.261 0.290) 2.044 2.215 ( 2.006 2.464 1.659) 3.585 2.292 ( -1.154 -3.120 -3.689) 4.967 2.292 ( -1.154 1.130 -3.138) 3.529 2.292 ( -1.154 -1.130 3.138) 3.529 2.292 ( -1.154 3.120 3.689) 4.967 2.389 ( -2.864 -0.764 -2.769) 4.057 2.389 ( -2.864 0.384 -2.734) 3.978 2.389 ( -2.864 -0.384 2.734) 3.978 2.389 ( -2.864 0.764 2.769) 4.057 2.471 ( 1.465 -1.819 -0.995) 2.538 2.471 ( 1.465 -1.767 -0.953) 2.485 2.471 ( 1.465 1.767 0.953) 2.485 2.471 ( 1.465 1.819 0.995) 2.538 2.573 ( 0.022 -2.238 -4.221) 4.778 2.573 ( 0.022 1.809 -4.129) 4.508 2.573 ( 0.022 -1.809 4.129) 4.508 2.573 ( 0.022 2.238 4.221) 4.778 2.621 ( -2.015 -1.770 -2.053) 3.378 2.621 ( -2.015 1.737 -2.041) 3.353 2.621 ( -2.015 -1.737 2.041) 3.353 2.621 ( -2.015 1.770 2.053) 3.378 2.703 ( 0.903 -0.808 -2.800) 3.051 2.703 ( 0.903 0.584 -2.776) 2.977 2.703 ( 0.903 -0.584 2.776) 2.977 2.703 ( 0.903 0.808 2.800) 3.051 2.758 ( -1.439 -1.666 -2.089) 3.035 2.758 ( -1.439 1.620 -2.073) 2.999 2.758 ( -1.439 -1.620 2.073) 2.999 2.758 ( -1.439 1.666 2.089) 3.035 2.885 ( -4.157 -1.220 -2.102) 4.816 2.885 ( -4.157 0.731 -1.998) 4.670 2.885 ( -4.157 -0.731 1.998) 4.670 2.885 ( -4.157 1.220 2.102) 4.816 2.974 ( -2.590 -1.659 -1.527) 3.434 2.974 ( -2.590 -0.289 -1.070) 2.817 2.974 ( -2.590 0.289 1.070) 2.817 2.974 ( -2.590 1.659 1.527) 3.434 3.083 ( -0.656 -0.621 -1.777) 1.994 3.083 ( -0.656 -0.062 -1.729) 1.850 3.083 ( -0.656 0.062 1.729) 1.850 3.083 ( -0.656 0.621 1.777) 1.994 3.133 ( -1.382 -2.308 -1.498) 3.079 3.133 ( -1.382 -0.679 -0.288) 1.567 3.133 ( -1.382 0.679 0.288) 1.567 3.133 ( -1.382 2.308 1.498) 3.079 3.177 ( 0.329 -0.649 -1.007) 1.243 3.177 ( 0.329 -0.376 -0.943) 1.067 3.177 ( 0.329 0.376 0.943) 1.067 3.177 ( 0.329 0.649 1.007) 1.243 3.268 ( -1.000 -1.517 -1.143) 2.147 3.268 ( -1.000 -0.148 -0.542) 1.147 3.268 ( -1.000 0.148 0.542) 1.147 3.268 ( -1.000 1.517 1.143) 2.147 3.363 ( -3.617 -1.627 -0.733) 4.034 3.363 ( -3.617 -1.374 0.447) 3.895 3.363 ( -3.617 1.374 -0.447) 3.895 3.363 ( -3.617 1.627 0.733) 4.034 3.450 ( -1.067 -2.813 -1.442) 3.337 3.450 ( -1.067 -2.812 1.441) 3.335 3.450 ( -1.067 2.812 -1.441) 3.335 3.450 ( -1.067 2.813 1.442) 3.337 3.503 ( -2.034 -1.365 -3.187) 4.020 3.503 ( -2.034 1.294 -3.174) 3.985 3.503 ( -2.034 -1.294 3.174) 3.985 3.503 ( -2.034 1.365 3.187) 4.020 3.766 ( 4.749 -0.524 -1.308) 4.954 3.766 ( 4.749 0.503 -1.304) 4.950 3.766 ( 4.749 -0.503 1.304) 4.950 3.766 ( 4.749 0.524 1.308) 4.954 3.918 ( -0.183 -1.443 -0.891) 1.705 3.918 ( -0.183 -1.316 0.798) 1.550 3.918 ( -0.183 1.316 -0.798) 1.550 3.918 ( -0.183 1.443 0.891) 1.705 4.161 ( 4.941 -1.336 -0.142) 5.121 4.161 ( 4.941 -1.336 0.142) 5.121 4.161 ( 4.941 1.336 -0.142) 5.121 4.161 ( 4.941 1.336 0.142) 5.121 4.288 ( -0.150 -0.891 -0.574) 1.070 4.288 ( -0.150 -0.230 0.009) 0.274 4.288 ( -0.150 0.230 -0.009) 0.274 4.288 ( -0.150 0.891 0.574) 1.070 4.936 ( 0.235 -0.224 -0.973) 1.026 4.936 ( 0.235 0.214 -0.972) 1.023 4.936 ( 0.235 -0.214 0.972) 1.023 4.936 ( 0.235 0.224 0.973) 1.026 5.033 ( -0.774 -0.890 -0.676) 1.360 5.033 ( -0.774 0.890 -0.676) 1.360 5.033 ( -0.774 -0.890 0.676) 1.360 5.033 ( -0.774 0.890 0.676) 1.360 5.144 ( 1.045 -0.348 -0.523) 1.219 5.144 ( 1.045 0.161 -0.481) 1.161 5.144 ( 1.045 -0.161 0.481) 1.161 5.144 ( 1.045 0.348 0.523) 1.219 5.163 ( 0.417 -0.288 -1.768) 1.839 5.163 ( 0.417 0.282 -1.767) 1.837 5.163 ( 0.417 -0.282 1.767) 1.837 5.163 ( 0.417 0.288 1.768) 1.839 5.367 ( -0.445 -0.263 -3.852) 3.887 5.367 ( -0.445 0.176 -3.850) 3.880 5.367 ( -0.445 -0.176 3.850) 3.880 5.367 ( -0.445 0.263 3.852) 3.887 5.454 ( -0.056 -1.386 -2.745) 3.075 5.454 ( -0.056 1.000 -2.669) 2.851 5.454 ( -0.056 -1.000 2.669) 2.851 5.454 ( -0.056 1.386 2.745) 3.075 5.604 ( -1.519 -1.863 -4.558) 5.153 5.604 ( -1.519 1.804 -4.547) 5.122 5.604 ( -1.519 -1.804 4.547) 5.122 5.604 ( -1.519 1.863 4.558) 5.153 5.742 ( -0.516 -1.112 -2.574) 2.851 5.742 ( -0.516 1.095 -2.571) 2.841 5.742 ( -0.516 -1.095 2.571) 2.841 5.742 ( -0.516 1.112 2.574) 2.851 5.855 ( 2.279 -0.992 -1.168) 2.746 5.855 ( 2.279 0.932 -1.145) 2.715 5.855 ( 2.279 -0.932 1.145) 2.715 5.855 ( 2.279 0.992 1.168) 2.746 5.940 ( -0.737 -0.055 -2.109) 2.235 5.940 ( -0.737 0.045 -2.109) 2.235 5.940 ( -0.737 -0.045 2.109) 2.235 5.940 ( -0.737 0.055 2.109) 2.235 6.064 ( 2.533 -2.133 -0.785) 3.403 6.064 ( 2.533 -1.816 0.243) 3.126 6.064 ( 2.533 1.816 -0.243) 3.126 6.064 ( 2.533 2.133 0.785) 3.403 6.181 ( -0.046 -2.526 -1.405) 2.891 6.181 ( -0.046 -1.439 0.239) 1.459 6.181 ( -0.046 1.439 -0.239) 1.459 6.181 ( -0.046 2.526 1.405) 2.891 6.698 ( 0.259 -1.758 -0.533) 1.855 6.698 ( 0.259 -1.758 0.532) 1.855 6.698 ( 0.259 1.758 -0.532) 1.855 6.698 ( 0.259 1.758 0.533) 1.855 6.715 ( -0.119 -1.826 -0.209) 1.842 6.715 ( -0.119 -1.813 0.150) 1.823 6.715 ( -0.119 1.813 -0.150) 1.823 6.715 ( -0.119 1.826 0.209) 1.842 6.876 ( 1.148 -1.997 -0.481) 2.353 6.876 ( 1.148 -1.886 0.201) 2.218 6.876 ( 1.148 1.886 -0.201) 2.218 6.876 ( 1.148 1.997 0.481) 2.353 6.960 ( -1.912 -4.084 -2.908) 5.366 6.960 ( -1.912 0.439 -1.064) 2.232 6.960 ( -1.912 -0.439 1.064) 2.232 6.960 ( -1.912 4.084 2.908) 5.366 ======================= Grid point 78 (27/27) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 14 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( 0.000 -0.000 -0.000) 0.000 0.884 ( 0.000 -0.000 0.000) 0.000 0.884 ( 0.000 -0.000 0.000) 0.000 0.884 ( 0.000 -0.000 0.000) 0.000 0.928 ( -0.000 0.000 -0.000) 0.000 0.928 ( 0.000 0.000 -0.000) 0.000 0.928 ( 0.000 0.000 -0.000) 0.000 0.928 ( -0.000 0.000 0.000) 0.000 1.098 ( 0.000 -0.000 -0.000) 0.000 1.098 ( -0.000 0.000 0.000) 0.000 1.098 ( 0.000 0.000 -0.000) 0.000 1.098 ( -0.000 0.000 0.000) 0.000 1.108 ( -0.000 -0.000 -0.000) 0.000 1.108 ( -0.000 0.000 -0.000) 0.000 1.108 ( -0.000 -0.000 0.000) 0.000 1.108 ( -0.000 0.000 0.000) 0.000 1.290 ( 0.000 0.000 0.000) 0.000 1.290 ( 0.000 0.000 0.000) 0.000 1.290 ( 0.000 0.000 0.000) 0.000 1.290 ( 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 1.398 ( 0.000 0.000 0.000) 0.000 1.398 ( 0.000 0.000 0.000) 0.000 1.513 ( 0.000 0.000 -0.000) 0.000 1.513 ( 0.000 -0.000 -0.000) 0.000 1.513 ( 0.000 0.000 0.000) 0.000 1.513 ( 0.000 0.000 0.000) 0.000 1.568 ( 0.000 0.000 -0.000) 0.000 1.568 ( 0.000 0.000 -0.000) 0.000 1.568 ( 0.000 0.000 0.000) 0.000 1.568 ( 0.000 0.000 0.000) 0.000 1.612 ( 0.000 -0.000 -0.000) 0.000 1.612 ( 0.000 0.000 -0.000) 0.000 1.612 ( 0.000 0.000 0.000) 0.000 1.612 ( 0.000 0.000 0.000) 0.000 1.639 ( -0.000 -0.000 -0.000) 0.000 1.639 ( 0.000 0.000 -0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.639 ( 0.000 0.000 0.000) 0.000 1.689 ( 0.000 -0.000 0.000) 0.000 1.689 ( 0.000 0.000 0.000) 0.000 1.689 ( 0.000 0.000 0.000) 0.000 1.689 ( 0.000 0.000 0.000) 0.000 1.817 ( -0.000 -0.000 -0.000) 0.000 1.817 ( 0.000 0.000 -0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.817 ( -0.000 -0.000 0.000) 0.000 1.828 ( 0.000 0.000 -0.000) 0.000 1.828 ( 0.000 -0.000 -0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.828 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 -0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.999 ( 0.000 -0.000 0.000) 0.000 1.999 ( 0.000 -0.000 0.000) 0.000 1.999 ( 0.000 0.000 0.000) 0.000 1.999 ( -0.000 0.000 0.000) 0.000 2.035 ( 0.000 -0.000 -0.000) 0.000 2.035 ( 0.000 0.000 -0.000) 0.000 2.035 ( -0.000 0.000 0.000) 0.000 2.035 ( 0.000 0.000 0.000) 0.000 2.151 ( 0.000 -0.000 -0.000) 0.000 2.151 ( 0.000 0.000 0.000) 0.000 2.151 ( -0.000 0.000 0.000) 0.000 2.151 ( 0.000 0.000 -0.000) 0.000 2.193 ( -0.000 -0.000 -0.000) 0.000 2.193 ( -0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 -0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.341 ( 0.000 -0.000 0.000) 0.000 2.341 ( -0.000 -0.000 -0.000) 0.000 2.341 ( 0.000 0.000 0.000) 0.000 2.341 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.474 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 -0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.553 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 -0.000) 0.000 2.641 ( 0.000 0.000 -0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.679 ( -0.000 0.000 -0.000) 0.000 2.679 ( -0.000 -0.000 0.000) 0.000 2.679 ( 0.000 0.000 0.000) 0.000 2.679 ( -0.000 0.000 0.000) 0.000 2.778 ( -0.000 0.000 -0.000) 0.000 2.778 ( -0.000 0.000 -0.000) 0.000 2.778 ( -0.000 0.000 0.000) 0.000 2.778 ( 0.000 0.000 0.000) 0.000 2.826 ( -0.000 0.000 -0.000) 0.000 2.826 ( 0.000 -0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.907 ( -0.000 0.000 0.000) 0.000 2.907 ( -0.000 -0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 2.907 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 -0.000 -0.000) 0.000 3.097 ( 0.000 -0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.105 ( -0.000 -0.000 -0.000) 0.000 3.105 ( 0.000 -0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 -0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.189 ( 0.000 -0.000 0.000) 0.000 3.189 ( 0.000 0.000 0.000) 0.000 3.267 ( -0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.267 ( 0.000 0.000 0.000) 0.000 3.267 ( -0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.296 ( -0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.296 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 -0.000 0.000) 0.000 3.443 ( 0.000 -0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.479 ( -0.000 0.000 -0.000) 0.000 3.479 ( 0.000 -0.000 -0.000) 0.000 3.479 ( 0.000 0.000 -0.000) 0.000 3.479 ( 0.000 0.000 0.000) 0.000 3.865 ( -0.000 0.000 -0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.865 ( 0.000 0.000 0.000) 0.000 3.874 ( -0.000 0.000 0.000) 0.000 3.874 ( -0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 -0.000 0.000) 0.000 4.240 ( 0.000 -0.000 -0.000) 0.000 4.240 ( 0.000 -0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.240 ( 0.000 0.000 0.000) 0.000 4.268 ( -0.000 -0.000 0.000) 0.000 4.268 ( 0.000 -0.000 0.000) 0.000 4.268 ( -0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 4.940 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 -0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 0.000 -0.000) 0.000 5.157 ( 0.000 0.000 -0.000) 0.000 5.157 ( 0.000 0.000 0.000) 0.000 5.157 ( 0.000 -0.000 0.000) 0.000 5.168 ( 0.000 0.000 -0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 5.168 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 -0.000) 0.000 5.368 ( 0.000 -0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 -0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.442 ( -0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.590 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.736 ( 0.000 0.000 0.000) 0.000 5.892 ( -0.000 0.000 -0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 -0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 6.097 ( 0.000 -0.000 0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.097 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 -0.000 0.000) 0.000 6.179 ( 0.000 -0.000 0.000) 0.000 6.179 ( 0.000 0.000 0.000) 0.000 6.179 ( 0.000 -0.000 0.000) 0.000 6.702 ( 0.000 -0.000 0.000) 0.000 6.702 ( 0.000 -0.000 0.000) 0.000 6.702 ( 0.000 -0.000 0.000) 0.000 6.702 ( 0.000 0.000 0.000) 0.000 6.713 ( -0.000 -0.000 0.000) 0.000 6.713 ( 0.000 0.000 0.000) 0.000 6.713 ( 0.000 0.000 0.000) 0.000 6.713 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 -0.000 -0.000) 0.000 6.903 ( -0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 -0.000 -0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 6.923 ( 0.000 -0.000 0.000) 0.000 6.923 ( 0.000 0.000 0.000) 0.000 =================== 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 3/13824 10.0 42.029 46.523 56.095 0.000 0.000 0.000 3/13824 20.0 9.318 9.420 11.755 0.000 0.000 0.000 3/13824 30.0 4.457 4.340 5.501 0.000 0.000 0.000 3/13824 40.0 2.878 2.725 3.496 0.000 0.000 0.000 3/13824 50.0 2.140 1.981 2.563 0.000 0.000 0.000 3/13824 60.0 1.717 1.561 2.032 0.000 0.000 0.000 3/13824 70.0 1.441 1.292 1.690 0.000 0.000 0.000 3/13824 80.0 1.246 1.106 1.451 0.000 0.000 0.000 3/13824 90.0 1.101 0.968 1.274 0.000 0.000 0.000 3/13824 100.0 0.987 0.863 1.137 0.000 0.000 0.000 3/13824 110.0 0.896 0.779 1.027 0.000 0.000 0.000 3/13824 120.0 0.821 0.710 0.938 0.000 0.000 0.000 3/13824 130.0 0.758 0.653 0.863 0.000 0.000 0.000 3/13824 140.0 0.704 0.605 0.800 0.000 0.000 0.000 3/13824 150.0 0.658 0.564 0.746 0.000 0.000 0.000 3/13824 160.0 0.617 0.528 0.698 0.000 0.000 0.000 3/13824 170.0 0.581 0.496 0.657 0.000 0.000 0.000 3/13824 180.0 0.549 0.468 0.620 0.000 0.000 0.000 3/13824 190.0 0.521 0.443 0.587 0.000 0.000 0.000 3/13824 200.0 0.495 0.421 0.558 0.000 0.000 0.000 3/13824 210.0 0.472 0.401 0.531 0.000 0.000 0.000 3/13824 220.0 0.451 0.382 0.507 0.000 0.000 0.000 3/13824 230.0 0.432 0.366 0.485 0.000 0.000 0.000 3/13824 240.0 0.414 0.351 0.465 0.000 0.000 0.000 3/13824 250.0 0.398 0.337 0.446 0.000 0.000 0.000 3/13824 260.0 0.383 0.324 0.429 0.000 0.000 0.000 3/13824 270.0 0.369 0.312 0.413 0.000 0.000 0.000 3/13824 280.0 0.356 0.301 0.398 0.000 0.000 0.000 3/13824 290.0 0.344 0.290 0.385 0.000 0.000 0.000 3/13824 300.0 0.333 0.281 0.372 0.000 0.000 0.000 3/13824 310.0 0.322 0.272 0.360 0.000 0.000 0.000 3/13824 320.0 0.312 0.263 0.349 0.000 0.000 0.000 3/13824 330.0 0.303 0.255 0.338 0.000 0.000 0.000 3/13824 340.0 0.294 0.248 0.328 0.000 0.000 0.000 3/13824 350.0 0.286 0.241 0.319 0.000 0.000 0.000 3/13824 360.0 0.278 0.234 0.310 0.000 0.000 0.000 3/13824 370.0 0.271 0.228 0.302 0.000 0.000 0.000 3/13824 380.0 0.264 0.222 0.294 0.000 0.000 0.000 3/13824 390.0 0.257 0.216 0.286 0.000 0.000 0.000 3/13824 400.0 0.251 0.211 0.279 0.000 0.000 0.000 3/13824 410.0 0.245 0.206 0.273 0.000 0.000 0.000 3/13824 420.0 0.239 0.201 0.266 0.000 0.000 0.000 3/13824 430.0 0.234 0.196 0.260 0.000 0.000 0.000 3/13824 440.0 0.228 0.192 0.254 0.000 0.000 0.000 3/13824 450.0 0.223 0.187 0.248 0.000 0.000 0.000 3/13824 460.0 0.218 0.183 0.243 0.000 0.000 0.000 3/13824 470.0 0.214 0.179 0.238 0.000 0.000 0.000 3/13824 480.0 0.210 0.176 0.233 0.000 0.000 0.000 3/13824 490.0 0.205 0.172 0.228 0.000 0.000 0.000 3/13824 500.0 0.201 0.169 0.224 0.000 0.000 0.000 3/13824 510.0 0.197 0.165 0.219 0.000 0.000 0.000 3/13824 520.0 0.194 0.162 0.215 0.000 0.000 0.000 3/13824 530.0 0.190 0.159 0.211 0.000 0.000 0.000 3/13824 540.0 0.187 0.156 0.207 0.000 0.000 0.000 3/13824 550.0 0.183 0.153 0.204 0.000 0.000 0.000 3/13824 560.0 0.180 0.151 0.200 0.000 0.000 0.000 3/13824 570.0 0.177 0.148 0.196 0.000 0.000 0.000 3/13824 580.0 0.174 0.146 0.193 0.000 0.000 0.000 3/13824 590.0 0.171 0.143 0.190 0.000 0.000 0.000 3/13824 600.0 0.168 0.141 0.187 0.000 0.000 0.000 3/13824 610.0 0.165 0.138 0.184 0.000 0.000 0.000 3/13824 620.0 0.163 0.136 0.181 0.000 0.000 0.000 3/13824 630.0 0.160 0.134 0.178 0.000 0.000 0.000 3/13824 640.0 0.158 0.132 0.175 0.000 0.000 0.000 3/13824 650.0 0.155 0.130 0.172 0.000 0.000 0.000 3/13824 660.0 0.153 0.128 0.170 0.000 0.000 0.000 3/13824 670.0 0.151 0.126 0.167 0.000 0.000 0.000 3/13824 680.0 0.148 0.124 0.165 0.000 0.000 0.000 3/13824 690.0 0.146 0.122 0.162 0.000 0.000 0.000 3/13824 700.0 0.144 0.121 0.160 0.000 0.000 0.000 3/13824 710.0 0.142 0.119 0.158 0.000 0.000 0.000 3/13824 720.0 0.140 0.117 0.156 0.000 0.000 0.000 3/13824 730.0 0.138 0.116 0.154 0.000 0.000 0.000 3/13824 740.0 0.137 0.114 0.151 0.000 0.000 0.000 3/13824 750.0 0.135 0.113 0.149 0.000 0.000 0.000 3/13824 760.0 0.133 0.111 0.148 0.000 0.000 0.000 3/13824 770.0 0.131 0.110 0.146 0.000 0.000 0.000 3/13824 780.0 0.130 0.108 0.144 0.000 0.000 0.000 3/13824 790.0 0.128 0.107 0.142 0.000 0.000 0.000 3/13824 800.0 0.126 0.106 0.140 0.000 0.000 0.000 3/13824 810.0 0.125 0.104 0.138 0.000 0.000 0.000 3/13824 820.0 0.123 0.103 0.137 0.000 0.000 0.000 3/13824 830.0 0.122 0.102 0.135 0.000 0.000 0.000 3/13824 840.0 0.120 0.101 0.134 0.000 0.000 0.000 3/13824 850.0 0.119 0.100 0.132 0.000 0.000 0.000 3/13824 860.0 0.118 0.098 0.130 0.000 0.000 0.000 3/13824 870.0 0.116 0.097 0.129 0.000 0.000 0.000 3/13824 880.0 0.115 0.096 0.127 0.000 0.000 0.000 3/13824 890.0 0.114 0.095 0.126 0.000 0.000 0.000 3/13824 900.0 0.112 0.094 0.125 0.000 0.000 0.000 3/13824 910.0 0.111 0.093 0.123 0.000 0.000 0.000 3/13824 920.0 0.110 0.092 0.122 0.000 0.000 0.000 3/13824 930.0 0.109 0.091 0.121 0.000 0.000 0.000 3/13824 940.0 0.108 0.090 0.119 0.000 0.000 0.000 3/13824 950.0 0.107 0.089 0.118 0.000 0.000 0.000 3/13824 960.0 0.106 0.088 0.117 0.000 0.000 0.000 3/13824 970.0 0.104 0.087 0.116 0.000 0.000 0.000 3/13824 980.0 0.103 0.086 0.115 0.000 0.000 0.000 3/13824 990.0 0.102 0.085 0.113 0.000 0.000 0.000 3/13824 1000.0 0.101 0.085 0.112 0.000 0.000 0.000 3/13824 Thermal conductivity related properties were written into "kappa-m444.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 19:54:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|