----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:17:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 12 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.523487810977511 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677771740000003 0.000000000000000 c -0.327421911448415 0.000000000000000 9.730086625240803 Atomic positions (fractional): *1 O 0.74566685796711 0.44007079067130 0.40444133120061 15.999 2 O 0.25433314203289 0.94007079067130 0.09555866879939 15.999 3 O 0.25433314203289 0.55992920932870 0.59555866879939 15.999 4 O 0.74566685796711 0.05992920932870 0.90444133120061 15.999 *5 O 0.33726251018255 0.34417568113163 0.24078448003095 15.999 6 O 0.66273748981744 0.84417568113163 0.25921551996905 15.999 7 O 0.66273748981744 0.65582431886837 0.75921551996905 15.999 8 O 0.33726251018255 0.15582431886837 0.74078448003095 15.999 *9 O 0.36902770538008 0.46470751371997 0.84613239089620 15.999 10 O 0.63097229461992 0.96470751371997 0.65386760910380 15.999 11 O 0.63097229461992 0.53529248628003 0.15386760910380 15.999 12 O 0.36902770538008 0.03529248628003 0.34613239089620 15.999 *13 O 0.78261424575315 0.14260852811013 0.20210009324355 15.999 14 O 0.21738575424685 0.64260852811013 0.29789990675645 15.999 15 O 0.21738575424685 0.85739147188987 0.79789990675645 15.999 16 O 0.78261424575315 0.35739147188987 0.70210009324355 15.999 *17 O 0.73393743896162 0.18933782566671 0.46743648779208 15.999 18 O 0.26606256103838 0.68933782566671 0.03256351220792 15.999 19 O 0.26606256103838 0.81066217433329 0.53256351220792 15.999 20 O 0.73393743896162 0.31066217433329 0.96743648779208 15.999 *21 Se 0.69128950080681 0.39130958524763 0.24135565632192 78.960 22 Se 0.30871049919319 0.89130958524763 0.25864434367808 78.960 23 Se 0.30871049919319 0.60869041475237 0.75864434367808 78.960 24 Se 0.69128950080681 0.10869041475237 0.74135565632192 78.960 *25 Se 0.76455365062133 0.42121700731432 0.85708420796795 78.960 26 Se 0.23544634937867 0.92121700731432 0.64291579203205 78.960 27 Se 0.23544634937867 0.57878299268568 0.14291579203205 78.960 28 Se 0.76455365062133 0.07878299268568 0.35708420796795 78.960 *29 Ba 0.25552510284280 0.33159526961669 0.53805424089241 137.327 30 Ba 0.74447489715720 0.83159526961669 0.96194575910759 137.327 31 Ba 0.74447489715720 0.66840473038331 0.46194575910759 137.327 32 Ba 0.25552510284280 0.16840473038331 0.03805424089241 137.327 -------------------------------- unit cell --------------------------------- Lattice vectors: a 4.523487810977511 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677771740000003 0.000000000000000 c -0.327421911448415 0.000000000000000 9.730086625240803 Atomic positions (fractional): *1 O 0.74566685796711 0.44007079067130 0.40444133120061 15.999 > 1 2 O 0.25433314203289 0.94007079067130 0.09555866879939 15.999 > 2 3 O 0.25433314203289 0.55992920932870 0.59555866879939 15.999 > 3 4 O 0.74566685796711 0.05992920932870 0.90444133120061 15.999 > 4 *5 O 0.33726251018255 0.34417568113163 0.24078448003095 15.999 > 5 6 O 0.66273748981744 0.84417568113163 0.25921551996905 15.999 > 6 7 O 0.66273748981744 0.65582431886837 0.75921551996905 15.999 > 7 8 O 0.33726251018255 0.15582431886837 0.74078448003095 15.999 > 8 *9 O 0.36902770538008 0.46470751371997 0.84613239089620 15.999 > 9 10 O 0.63097229461992 0.96470751371997 0.65386760910380 15.999 > 10 11 O 0.63097229461992 0.53529248628003 0.15386760910380 15.999 > 11 12 O 0.36902770538008 0.03529248628003 0.34613239089620 15.999 > 12 *13 O 0.78261424575315 0.14260852811013 0.20210009324355 15.999 > 13 14 O 0.21738575424685 0.64260852811013 0.29789990675645 15.999 > 14 15 O 0.21738575424685 0.85739147188987 0.79789990675645 15.999 > 15 16 O 0.78261424575315 0.35739147188987 0.70210009324355 15.999 > 16 *17 O 0.73393743896162 0.18933782566671 0.46743648779208 15.999 > 17 18 O 0.26606256103838 0.68933782566671 0.03256351220792 15.999 > 18 19 O 0.26606256103838 0.81066217433329 0.53256351220792 15.999 > 19 20 O 0.73393743896162 0.31066217433329 0.96743648779208 15.999 > 20 *21 Se 0.69128950080681 0.39130958524763 0.24135565632192 78.960 > 21 22 Se 0.30871049919319 0.89130958524763 0.25864434367808 78.960 > 22 23 Se 0.30871049919319 0.60869041475237 0.75864434367808 78.960 > 23 24 Se 0.69128950080681 0.10869041475237 0.74135565632192 78.960 > 24 *25 Se 0.76455365062133 0.42121700731432 0.85708420796795 78.960 > 25 26 Se 0.23544634937867 0.92121700731432 0.64291579203205 78.960 > 26 27 Se 0.23544634937867 0.57878299268568 0.14291579203205 78.960 > 27 28 Se 0.76455365062133 0.07878299268568 0.35708420796795 78.960 > 28 *29 Ba 0.25552510284280 0.33159526961669 0.53805424089241 137.327 > 29 30 Ba 0.74447489715720 0.83159526961669 0.96194575910759 137.327 > 30 31 Ba 0.74447489715720 0.66840473038331 0.46194575910759 137.327 > 31 32 Ba 0.25552510284280 0.16840473038331 0.03805424089241 137.327 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 13.570463432932534 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677771740000003 0.000000000000000 c -0.327421911448415 0.000000000000000 9.730086625240803 Atomic positions (fractional): *1 O 0.24855561932237 0.44007079067130 0.40444133120061 15.999 > 1 2 O 0.58188895265570 0.44007079067130 0.40444133120061 15.999 > 1 3 O 0.91522228598904 0.44007079067130 0.40444133120061 15.999 > 1 4 O 0.08477771401096 0.94007079067130 0.09555866879939 15.999 > 2 5 O 0.41811104734430 0.94007079067130 0.09555866879939 15.999 > 2 6 O 0.75144438067763 0.94007079067130 0.09555866879939 15.999 > 2 7 O 0.08477771401096 0.55992920932870 0.59555866879939 15.999 > 3 8 O 0.41811104734430 0.55992920932870 0.59555866879939 15.999 > 3 9 O 0.75144438067763 0.55992920932870 0.59555866879939 15.999 > 3 10 O 0.24855561932237 0.05992920932870 0.90444133120061 15.999 > 4 11 O 0.58188895265570 0.05992920932870 0.90444133120061 15.999 > 4 12 O 0.91522228598904 0.05992920932870 0.90444133120061 15.999 > 4 *13 O 0.11242083672752 0.34417568113163 0.24078448003095 15.999 > 5 14 O 0.44575417006085 0.34417568113163 0.24078448003095 15.999 > 5 15 O 0.77908750339418 0.34417568113163 0.24078448003095 15.999 > 5 16 O 0.22091249660581 0.84417568113163 0.25921551996905 15.999 > 6 17 O 0.55424582993915 0.84417568113163 0.25921551996905 15.999 > 6 18 O 0.88757916327248 0.84417568113163 0.25921551996905 15.999 > 6 19 O 0.22091249660581 0.65582431886837 0.75921551996905 15.999 > 7 20 O 0.55424582993915 0.65582431886837 0.75921551996905 15.999 > 7 21 O 0.88757916327248 0.65582431886837 0.75921551996905 15.999 > 7 22 O 0.11242083672752 0.15582431886837 0.74078448003095 15.999 > 8 23 O 0.44575417006085 0.15582431886837 0.74078448003095 15.999 > 8 24 O 0.77908750339418 0.15582431886837 0.74078448003095 15.999 > 8 *25 O 0.12300923512669 0.46470751371997 0.84613239089620 15.999 > 9 26 O 0.45634256846003 0.46470751371997 0.84613239089620 15.999 > 9 27 O 0.78967590179336 0.46470751371997 0.84613239089620 15.999 > 9 28 O 0.21032409820664 0.96470751371997 0.65386760910380 15.999 > 10 29 O 0.54365743153997 0.96470751371997 0.65386760910380 15.999 > 10 30 O 0.87699076487331 0.96470751371997 0.65386760910380 15.999 > 10 31 O 0.21032409820664 0.53529248628003 0.15386760910380 15.999 > 11 32 O 0.54365743153997 0.53529248628003 0.15386760910380 15.999 > 11 33 O 0.87699076487331 0.53529248628003 0.15386760910380 15.999 > 11 34 O 0.12300923512669 0.03529248628003 0.34613239089620 15.999 > 12 35 O 0.45634256846003 0.03529248628003 0.34613239089620 15.999 > 12 36 O 0.78967590179336 0.03529248628003 0.34613239089620 15.999 > 12 *37 O 0.26087141525105 0.14260852811013 0.20210009324355 15.999 > 13 38 O 0.59420474858438 0.14260852811013 0.20210009324355 15.999 > 13 39 O 0.92753808191772 0.14260852811013 0.20210009324355 15.999 > 13 40 O 0.07246191808228 0.64260852811013 0.29789990675645 15.999 > 14 41 O 0.40579525141562 0.64260852811013 0.29789990675645 15.999 > 14 42 O 0.73912858474895 0.64260852811013 0.29789990675645 15.999 > 14 43 O 0.07246191808228 0.85739147188987 0.79789990675645 15.999 > 15 44 O 0.40579525141562 0.85739147188987 0.79789990675645 15.999 > 15 45 O 0.73912858474895 0.85739147188987 0.79789990675645 15.999 > 15 46 O 0.26087141525105 0.35739147188987 0.70210009324355 15.999 > 16 47 O 0.59420474858438 0.35739147188987 0.70210009324355 15.999 > 16 48 O 0.92753808191772 0.35739147188987 0.70210009324355 15.999 > 16 *49 O 0.24464581298721 0.18933782566671 0.46743648779208 15.999 > 17 50 O 0.57797914632054 0.18933782566671 0.46743648779208 15.999 > 17 51 O 0.91131247965387 0.18933782566671 0.46743648779208 15.999 > 17 52 O 0.08868752034612 0.68933782566671 0.03256351220792 15.999 > 18 53 O 0.42202085367946 0.68933782566671 0.03256351220792 15.999 > 18 54 O 0.75535418701279 0.68933782566671 0.03256351220792 15.999 > 18 55 O 0.08868752034612 0.81066217433329 0.53256351220792 15.999 > 19 56 O 0.42202085367946 0.81066217433329 0.53256351220792 15.999 > 19 57 O 0.75535418701279 0.81066217433329 0.53256351220792 15.999 > 19 58 O 0.24464581298721 0.31066217433329 0.96743648779208 15.999 > 20 59 O 0.57797914632054 0.31066217433329 0.96743648779208 15.999 > 20 60 O 0.91131247965387 0.31066217433329 0.96743648779208 15.999 > 20 *61 Se 0.23042983360227 0.39130958524763 0.24135565632192 78.960 > 21 62 Se 0.56376316693560 0.39130958524763 0.24135565632192 78.960 > 21 63 Se 0.89709650026894 0.39130958524763 0.24135565632192 78.960 > 21 64 Se 0.10290349973106 0.89130958524763 0.25864434367808 78.960 > 22 65 Se 0.43623683306440 0.89130958524763 0.25864434367808 78.960 > 22 66 Se 0.76957016639773 0.89130958524763 0.25864434367808 78.960 > 22 67 Se 0.10290349973106 0.60869041475237 0.75864434367808 78.960 > 23 68 Se 0.43623683306440 0.60869041475237 0.75864434367808 78.960 > 23 69 Se 0.76957016639773 0.60869041475237 0.75864434367808 78.960 > 23 70 Se 0.23042983360227 0.10869041475237 0.74135565632192 78.960 > 24 71 Se 0.56376316693560 0.10869041475237 0.74135565632192 78.960 > 24 72 Se 0.89709650026894 0.10869041475237 0.74135565632192 78.960 > 24 *73 Se 0.25485121687378 0.42121700731432 0.85708420796795 78.960 > 25 74 Se 0.58818455020711 0.42121700731432 0.85708420796795 78.960 > 25 75 Se 0.92151788354044 0.42121700731432 0.85708420796795 78.960 > 25 76 Se 0.07848211645956 0.92121700731432 0.64291579203205 78.960 > 26 77 Se 0.41181544979289 0.92121700731432 0.64291579203205 78.960 > 26 78 Se 0.74514878312622 0.92121700731432 0.64291579203205 78.960 > 26 79 Se 0.07848211645956 0.57878299268568 0.14291579203205 78.960 > 27 80 Se 0.41181544979289 0.57878299268568 0.14291579203205 78.960 > 27 81 Se 0.74514878312622 0.57878299268568 0.14291579203205 78.960 > 27 82 Se 0.25485121687378 0.07878299268568 0.35708420796795 78.960 > 28 83 Se 0.58818455020711 0.07878299268568 0.35708420796795 78.960 > 28 84 Se 0.92151788354044 0.07878299268568 0.35708420796795 78.960 > 28 *85 Ba 0.08517503428093 0.33159526961669 0.53805424089241 137.327 > 29 86 Ba 0.41850836761427 0.33159526961669 0.53805424089241 137.327 > 29 87 Ba 0.75184170094760 0.33159526961669 0.53805424089241 137.327 > 29 88 Ba 0.24815829905240 0.83159526961669 0.96194575910759 137.327 > 30 89 Ba 0.58149163238573 0.83159526961669 0.96194575910759 137.327 > 30 90 Ba 0.91482496571907 0.83159526961669 0.96194575910759 137.327 > 30 91 Ba 0.24815829905240 0.66840473038331 0.46194575910759 137.327 > 31 92 Ba 0.58149163238573 0.66840473038331 0.46194575910759 137.327 > 31 93 Ba 0.91482496571907 0.66840473038331 0.46194575910759 137.327 > 31 94 Ba 0.08517503428093 0.16840473038331 0.03805424089241 137.327 > 32 95 Ba 0.41850836761427 0.16840473038331 0.03805424089241 137.327 > 32 96 Ba 0.75184170094760 0.16840473038331 0.03805424089241 137.327 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7946285 0.0000000 0.0700893 0.0000000 3.7206733 0.0000000 0.0700906 0.0000000 3.7544957 -------------------------- Born effective charges -------------------------- 1 O -1.1410052 -0.2787742 -0.6639848 -0.0146408 -1.3747993 -0.0579820 0.0048594 -0.6572524 -2.3823979 2 O -1.1410052 0.2787742 -0.6639848 0.0146408 -1.3747993 0.0579820 0.0048594 0.6572524 -2.3823979 3 O -1.1410052 -0.2787742 -0.6639848 -0.0146408 -1.3747993 -0.0579820 0.0048594 -0.6572524 -2.3823979 4 O -1.1410052 0.2787742 -0.6639848 0.0146408 -1.3747993 0.0579820 0.0048594 0.6572524 -2.3823979 5 O -2.0375198 -0.2527828 0.0630458 -0.6759418 -1.4461282 0.0605680 -0.2157854 -0.1210393 -1.1789936 6 O -2.0375198 0.2527828 0.0630458 0.6759418 -1.4461282 -0.0605680 -0.2157854 0.1210393 -1.1789936 7 O -2.0375198 -0.2527828 0.0630458 -0.6759418 -1.4461282 0.0605680 -0.2157854 -0.1210393 -1.1789936 8 O -2.0375198 0.2527828 0.0630458 0.6759418 -1.4461282 -0.0605680 -0.2157854 0.1210393 -1.1789936 9 O -2.5168789 0.5580145 -0.2838160 1.3563197 -2.0659979 0.4983491 -0.3628191 0.6117613 -1.1678642 10 O -2.5168789 -0.5580145 -0.2838160 -1.3563197 -2.0659979 -0.4983491 -0.3628191 -0.6117613 -1.1678642 11 O -2.5168789 0.5580145 -0.2838160 1.3563197 -2.0659979 0.4983491 -0.3628191 0.6117613 -1.1678642 12 O -2.5168789 -0.5580145 -0.2838160 -1.3563197 -2.0659979 -0.4983491 -0.3628191 -0.6117613 -1.1678642 13 O -1.2424975 -0.1082665 0.4655541 -0.0481173 -1.5385032 0.6415440 0.0357069 0.7191887 -2.2679120 14 O -1.2424975 0.1082665 0.4655541 0.0481173 -1.5385032 -0.6415440 0.0357069 -0.7191887 -2.2679120 15 O -1.2424975 -0.1082665 0.4655541 -0.0481173 -1.5385032 0.6415440 0.0357069 0.7191887 -2.2679120 16 O -1.2424975 0.1082665 0.4655541 0.0481173 -1.5385032 -0.6415440 0.0357069 -0.7191887 -2.2679120 17 O -0.9610594 -0.0391167 -0.0277020 0.0652973 -1.8409378 -0.3073734 0.2397335 -1.0643996 -2.0732744 18 O -0.9610594 0.0391167 -0.0277020 -0.0652973 -1.8409378 0.3073734 0.2397335 1.0643996 -2.0732744 19 O -0.9610594 -0.0391167 -0.0277020 0.0652973 -1.8409378 -0.3073734 0.2397335 -1.0643996 -2.0732744 20 O -0.9610594 0.0391167 -0.0277020 -0.0652973 -1.8409378 0.3073734 0.2397335 1.0643996 -2.0732744 21 Se 2.3384293 0.0200255 0.6487900 0.4078623 3.0524840 -0.4722708 0.3241578 -0.0211604 3.1287683 22 Se 2.3384293 -0.0200255 0.6487900 -0.4078623 3.0524840 0.4722708 0.3241578 0.0211604 3.1287683 23 Se 2.3384293 0.0200255 0.6487900 0.4078623 3.0524840 -0.4722708 0.3241578 -0.0211604 3.1287683 24 Se 2.3384293 -0.0200255 0.6487900 -0.4078623 3.0524840 0.4722708 0.3241578 0.0211604 3.1287683 25 Se 2.7202685 -0.5319922 -0.1831545 -1.1510020 2.4117272 0.1157861 0.0771369 -0.4762645 3.0349696 26 Se 2.7202685 0.5319922 -0.1831545 1.1510020 2.4117272 -0.1157861 0.0771369 0.4762645 3.0349696 27 Se 2.7202685 -0.5319922 -0.1831545 -1.1510020 2.4117272 0.1157861 0.0771369 -0.4762645 3.0349696 28 Se 2.7202685 0.5319922 -0.1831545 1.1510020 2.4117272 -0.1157861 0.0771369 0.4762645 3.0349696 29 Ba 2.8402630 -0.0096390 -0.0187327 -0.0799684 2.8021552 -0.2054440 -0.1029900 0.2027438 2.9067042 30 Ba 2.8402630 0.0096390 -0.0187327 0.0799684 2.8021552 0.2054440 -0.1029900 -0.2027438 2.9067042 31 Ba 2.8402630 -0.0096390 -0.0187327 -0.0799684 2.8021552 -0.2054440 -0.1029900 0.2027438 2.9067042 32 Ba 2.8402630 0.0096390 -0.0187327 0.0799684 2.8021552 0.2054440 -0.1029900 -0.2027438 2.9067042 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3552 Number of blocks in projector: 3552 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: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 768 / 768 (1) 252 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 768 / 768 (1) 252 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 416 Use standard eigh solver. Tree of FC basis block matrices: - (3552, 3481), data: False |-- (416, 408), data: True |-- (416, 408), data: True |-- (416, 408), data: True |-- (768, 753), data: False |-- (768, 9), data: (768, 24) @ (24, 9) |-- (268, 259), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 960 - Time: 0.877 Solver_block: 200 / 960 - Time: 0.777 Solver_block: 300 / 960 - Time: 0.781 Solver_block: 400 / 960 - Time: 0.784 Solver_block: 500 / 960 - Time: 0.776 Solver_block: 600 / 960 - Time: 0.785 Solver_block: 700 / 960 - Time: 0.782 Solver_block: 800 / 960 - Time: 0.789 Solver_block: 900 / 960 - Time: 0.784 Solver_block: 960 / 960 - Time: 0.513 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.833 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 14064/14064 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3552 Number of blocks in projector: 3552 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: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 768 / 768 (1) 252 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 768 / 768 (1) 252 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 768 / 768 (1) 259 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 416 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 416 Use standard eigh solver. Tree of FC basis block matrices: - (3552, 3481), data: False |-- (416, 408), data: True |-- (416, 408), data: True |-- (416, 408), data: True |-- (768, 753), data: False |-- (768, 9), data: (768, 24) @ (24, 9) |-- (268, 259), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (768, 752), data: False |-- (768, 16), data: (768, 32) @ (32, 16) |-- (268, 252), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), 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 07:18:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:18:32]------------------------- 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): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.523487810977511 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677771740000003 0.000000000000000 c -0.327421911448415 0.000000000000000 9.730086625240803 Atomic positions (fractional): 1 O 0.74566685796711 0.44007079067130 0.40444133120061 15.999 2 O 0.25433314203289 0.94007079067130 0.09555866879939 15.999 3 O 0.25433314203289 0.55992920932870 0.59555866879939 15.999 4 O 0.74566685796711 0.05992920932870 0.90444133120061 15.999 5 O 0.33726251018255 0.34417568113163 0.24078448003095 15.999 6 O 0.66273748981744 0.84417568113163 0.25921551996905 15.999 7 O 0.66273748981744 0.65582431886837 0.75921551996905 15.999 8 O 0.33726251018255 0.15582431886837 0.74078448003095 15.999 9 O 0.36902770538008 0.46470751371997 0.84613239089620 15.999 10 O 0.63097229461992 0.96470751371997 0.65386760910380 15.999 11 O 0.63097229461992 0.53529248628003 0.15386760910380 15.999 12 O 0.36902770538008 0.03529248628003 0.34613239089620 15.999 13 O 0.78261424575315 0.14260852811013 0.20210009324355 15.999 14 O 0.21738575424685 0.64260852811013 0.29789990675645 15.999 15 O 0.21738575424685 0.85739147188987 0.79789990675645 15.999 16 O 0.78261424575315 0.35739147188987 0.70210009324355 15.999 17 O 0.73393743896162 0.18933782566671 0.46743648779208 15.999 18 O 0.26606256103838 0.68933782566671 0.03256351220792 15.999 19 O 0.26606256103838 0.81066217433329 0.53256351220792 15.999 20 O 0.73393743896162 0.31066217433329 0.96743648779208 15.999 21 Se 0.69128950080681 0.39130958524763 0.24135565632192 78.960 22 Se 0.30871049919319 0.89130958524763 0.25864434367808 78.960 23 Se 0.30871049919319 0.60869041475237 0.75864434367808 78.960 24 Se 0.69128950080681 0.10869041475237 0.74135565632192 78.960 25 Se 0.76455365062133 0.42121700731432 0.85708420796795 78.960 26 Se 0.23544634937867 0.92121700731432 0.64291579203205 78.960 27 Se 0.23544634937867 0.57878299268568 0.14291579203205 78.960 28 Se 0.76455365062133 0.07878299268568 0.35708420796795 78.960 29 Ba 0.25552510284280 0.33159526961669 0.53805424089241 137.327 30 Ba 0.74447489715720 0.83159526961669 0.96194575910759 137.327 31 Ba 0.74447489715720 0.66840473038331 0.46194575910759 137.327 32 Ba 0.25552510284280 0.16840473038331 0.03805424089241 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.570463432932534 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677771740000003 0.000000000000000 c -0.327421911448415 0.000000000000000 9.730086625240803 Atomic positions (fractional): 1 O 0.24855561932237 0.44007079067130 0.40444133120061 15.999 > 1 2 O 0.58188895265570 0.44007079067130 0.40444133120061 15.999 > 1 3 O 0.91522228598904 0.44007079067130 0.40444133120061 15.999 > 1 4 O 0.08477771401096 0.94007079067130 0.09555866879939 15.999 > 4 5 O 0.41811104734430 0.94007079067130 0.09555866879939 15.999 > 4 6 O 0.75144438067763 0.94007079067130 0.09555866879939 15.999 > 4 7 O 0.08477771401096 0.55992920932870 0.59555866879939 15.999 > 7 8 O 0.41811104734430 0.55992920932870 0.59555866879939 15.999 > 7 9 O 0.75144438067763 0.55992920932870 0.59555866879939 15.999 > 7 10 O 0.24855561932237 0.05992920932870 0.90444133120061 15.999 > 10 11 O 0.58188895265570 0.05992920932870 0.90444133120061 15.999 > 10 12 O 0.91522228598904 0.05992920932870 0.90444133120061 15.999 > 10 13 O 0.11242083672752 0.34417568113163 0.24078448003095 15.999 > 13 14 O 0.44575417006085 0.34417568113163 0.24078448003095 15.999 > 13 15 O 0.77908750339418 0.34417568113163 0.24078448003095 15.999 > 13 16 O 0.22091249660581 0.84417568113163 0.25921551996905 15.999 > 16 17 O 0.55424582993915 0.84417568113163 0.25921551996905 15.999 > 16 18 O 0.88757916327248 0.84417568113163 0.25921551996905 15.999 > 16 19 O 0.22091249660581 0.65582431886837 0.75921551996905 15.999 > 19 20 O 0.55424582993915 0.65582431886837 0.75921551996905 15.999 > 19 21 O 0.88757916327248 0.65582431886837 0.75921551996905 15.999 > 19 22 O 0.11242083672752 0.15582431886837 0.74078448003095 15.999 > 22 23 O 0.44575417006085 0.15582431886837 0.74078448003095 15.999 > 22 24 O 0.77908750339418 0.15582431886837 0.74078448003095 15.999 > 22 25 O 0.12300923512669 0.46470751371997 0.84613239089620 15.999 > 25 26 O 0.45634256846003 0.46470751371997 0.84613239089620 15.999 > 25 27 O 0.78967590179336 0.46470751371997 0.84613239089620 15.999 > 25 28 O 0.21032409820664 0.96470751371997 0.65386760910380 15.999 > 28 29 O 0.54365743153997 0.96470751371997 0.65386760910380 15.999 > 28 30 O 0.87699076487331 0.96470751371997 0.65386760910380 15.999 > 28 31 O 0.21032409820664 0.53529248628003 0.15386760910380 15.999 > 31 32 O 0.54365743153997 0.53529248628003 0.15386760910380 15.999 > 31 33 O 0.87699076487331 0.53529248628003 0.15386760910380 15.999 > 31 34 O 0.12300923512669 0.03529248628003 0.34613239089620 15.999 > 34 35 O 0.45634256846003 0.03529248628003 0.34613239089620 15.999 > 34 36 O 0.78967590179336 0.03529248628003 0.34613239089620 15.999 > 34 37 O 0.26087141525105 0.14260852811013 0.20210009324355 15.999 > 37 38 O 0.59420474858438 0.14260852811013 0.20210009324355 15.999 > 37 39 O 0.92753808191772 0.14260852811013 0.20210009324355 15.999 > 37 40 O 0.07246191808228 0.64260852811013 0.29789990675645 15.999 > 40 41 O 0.40579525141562 0.64260852811013 0.29789990675645 15.999 > 40 42 O 0.73912858474895 0.64260852811013 0.29789990675645 15.999 > 40 43 O 0.07246191808228 0.85739147188987 0.79789990675645 15.999 > 43 44 O 0.40579525141562 0.85739147188987 0.79789990675645 15.999 > 43 45 O 0.73912858474895 0.85739147188987 0.79789990675645 15.999 > 43 46 O 0.26087141525105 0.35739147188987 0.70210009324355 15.999 > 46 47 O 0.59420474858438 0.35739147188987 0.70210009324355 15.999 > 46 48 O 0.92753808191772 0.35739147188987 0.70210009324355 15.999 > 46 49 O 0.24464581298721 0.18933782566671 0.46743648779208 15.999 > 49 50 O 0.57797914632054 0.18933782566671 0.46743648779208 15.999 > 49 51 O 0.91131247965387 0.18933782566671 0.46743648779208 15.999 > 49 52 O 0.08868752034612 0.68933782566671 0.03256351220792 15.999 > 52 53 O 0.42202085367946 0.68933782566671 0.03256351220792 15.999 > 52 54 O 0.75535418701279 0.68933782566671 0.03256351220792 15.999 > 52 55 O 0.08868752034612 0.81066217433329 0.53256351220792 15.999 > 55 56 O 0.42202085367946 0.81066217433329 0.53256351220792 15.999 > 55 57 O 0.75535418701279 0.81066217433329 0.53256351220792 15.999 > 55 58 O 0.24464581298721 0.31066217433329 0.96743648779208 15.999 > 58 59 O 0.57797914632054 0.31066217433329 0.96743648779208 15.999 > 58 60 O 0.91131247965387 0.31066217433329 0.96743648779208 15.999 > 58 61 Se 0.23042983360227 0.39130958524763 0.24135565632192 78.960 > 61 62 Se 0.56376316693560 0.39130958524763 0.24135565632192 78.960 > 61 63 Se 0.89709650026894 0.39130958524763 0.24135565632192 78.960 > 61 64 Se 0.10290349973106 0.89130958524763 0.25864434367808 78.960 > 64 65 Se 0.43623683306440 0.89130958524763 0.25864434367808 78.960 > 64 66 Se 0.76957016639773 0.89130958524763 0.25864434367808 78.960 > 64 67 Se 0.10290349973106 0.60869041475237 0.75864434367808 78.960 > 67 68 Se 0.43623683306440 0.60869041475237 0.75864434367808 78.960 > 67 69 Se 0.76957016639773 0.60869041475237 0.75864434367808 78.960 > 67 70 Se 0.23042983360227 0.10869041475237 0.74135565632192 78.960 > 70 71 Se 0.56376316693560 0.10869041475237 0.74135565632192 78.960 > 70 72 Se 0.89709650026894 0.10869041475237 0.74135565632192 78.960 > 70 73 Se 0.25485121687378 0.42121700731432 0.85708420796795 78.960 > 73 74 Se 0.58818455020711 0.42121700731432 0.85708420796795 78.960 > 73 75 Se 0.92151788354044 0.42121700731432 0.85708420796795 78.960 > 73 76 Se 0.07848211645956 0.92121700731432 0.64291579203205 78.960 > 76 77 Se 0.41181544979289 0.92121700731432 0.64291579203205 78.960 > 76 78 Se 0.74514878312622 0.92121700731432 0.64291579203205 78.960 > 76 79 Se 0.07848211645956 0.57878299268568 0.14291579203205 78.960 > 79 80 Se 0.41181544979289 0.57878299268568 0.14291579203205 78.960 > 79 81 Se 0.74514878312622 0.57878299268568 0.14291579203205 78.960 > 79 82 Se 0.25485121687378 0.07878299268568 0.35708420796795 78.960 > 82 83 Se 0.58818455020711 0.07878299268568 0.35708420796795 78.960 > 82 84 Se 0.92151788354044 0.07878299268568 0.35708420796795 78.960 > 82 85 Ba 0.08517503428093 0.33159526961669 0.53805424089241 137.327 > 85 86 Ba 0.41850836761427 0.33159526961669 0.53805424089241 137.327 > 85 87 Ba 0.75184170094760 0.33159526961669 0.53805424089241 137.327 > 85 88 Ba 0.24815829905240 0.83159526961669 0.96194575910759 137.327 > 88 89 Ba 0.58149163238573 0.83159526961669 0.96194575910759 137.327 > 88 90 Ba 0.91482496571907 0.83159526961669 0.96194575910759 137.327 > 88 91 Ba 0.24815829905240 0.66840473038331 0.46194575910759 137.327 > 91 92 Ba 0.58149163238573 0.66840473038331 0.46194575910759 137.327 > 91 93 Ba 0.91482496571907 0.66840473038331 0.46194575910759 137.327 > 91 94 Ba 0.08517503428093 0.16840473038331 0.03805424089241 137.327 > 94 95 Ba 0.41850836761427 0.16840473038331 0.03805424089241 137.327 > 94 96 Ba 0.75184170094760 0.16840473038331 0.03805424089241 137.327 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7946285 0.0000000 0.0700893 0.0000000 3.7206733 0.0000000 0.0700906 0.0000000 3.7544957 -------------------------- Born effective charges -------------------------- 1 O -1.1410052 -0.2787742 -0.6639848 -0.0146408 -1.3747993 -0.0579820 0.0048594 -0.6572524 -2.3823979 2 O -1.1410052 0.2787742 -0.6639848 0.0146408 -1.3747993 0.0579820 0.0048594 0.6572524 -2.3823979 3 O -1.1410052 -0.2787742 -0.6639848 -0.0146408 -1.3747993 -0.0579820 0.0048594 -0.6572524 -2.3823979 4 O -1.1410052 0.2787742 -0.6639848 0.0146408 -1.3747993 0.0579820 0.0048594 0.6572524 -2.3823979 5 O -2.0375198 -0.2527828 0.0630458 -0.6759418 -1.4461282 0.0605680 -0.2157854 -0.1210393 -1.1789936 6 O -2.0375198 0.2527828 0.0630458 0.6759418 -1.4461282 -0.0605680 -0.2157854 0.1210393 -1.1789936 7 O -2.0375198 -0.2527828 0.0630458 -0.6759418 -1.4461282 0.0605680 -0.2157854 -0.1210393 -1.1789936 8 O -2.0375198 0.2527828 0.0630458 0.6759418 -1.4461282 -0.0605680 -0.2157854 0.1210393 -1.1789936 9 O -2.5168789 0.5580145 -0.2838160 1.3563197 -2.0659979 0.4983491 -0.3628191 0.6117613 -1.1678642 10 O -2.5168789 -0.5580145 -0.2838160 -1.3563197 -2.0659979 -0.4983491 -0.3628191 -0.6117613 -1.1678642 11 O -2.5168789 0.5580145 -0.2838160 1.3563197 -2.0659979 0.4983491 -0.3628191 0.6117613 -1.1678642 12 O -2.5168789 -0.5580145 -0.2838160 -1.3563197 -2.0659979 -0.4983491 -0.3628191 -0.6117613 -1.1678642 13 O -1.2424975 -0.1082665 0.4655541 -0.0481173 -1.5385032 0.6415440 0.0357069 0.7191887 -2.2679120 14 O -1.2424975 0.1082665 0.4655541 0.0481173 -1.5385032 -0.6415440 0.0357069 -0.7191887 -2.2679120 15 O -1.2424975 -0.1082665 0.4655541 -0.0481173 -1.5385032 0.6415440 0.0357069 0.7191887 -2.2679120 16 O -1.2424975 0.1082665 0.4655541 0.0481173 -1.5385032 -0.6415440 0.0357069 -0.7191887 -2.2679120 17 O -0.9610594 -0.0391167 -0.0277020 0.0652973 -1.8409378 -0.3073734 0.2397335 -1.0643996 -2.0732744 18 O -0.9610594 0.0391167 -0.0277020 -0.0652973 -1.8409378 0.3073734 0.2397335 1.0643996 -2.0732744 19 O -0.9610594 -0.0391167 -0.0277020 0.0652973 -1.8409378 -0.3073734 0.2397335 -1.0643996 -2.0732744 20 O -0.9610594 0.0391167 -0.0277020 -0.0652973 -1.8409378 0.3073734 0.2397335 1.0643996 -2.0732744 21 Se 2.3384293 0.0200255 0.6487900 0.4078623 3.0524840 -0.4722708 0.3241578 -0.0211604 3.1287683 22 Se 2.3384293 -0.0200255 0.6487900 -0.4078623 3.0524840 0.4722708 0.3241578 0.0211604 3.1287683 23 Se 2.3384293 0.0200255 0.6487900 0.4078623 3.0524840 -0.4722708 0.3241578 -0.0211604 3.1287683 24 Se 2.3384293 -0.0200255 0.6487900 -0.4078623 3.0524840 0.4722708 0.3241578 0.0211604 3.1287683 25 Se 2.7202685 -0.5319922 -0.1831545 -1.1510020 2.4117272 0.1157861 0.0771369 -0.4762645 3.0349696 26 Se 2.7202685 0.5319922 -0.1831545 1.1510020 2.4117272 -0.1157861 0.0771369 0.4762645 3.0349696 27 Se 2.7202685 -0.5319922 -0.1831545 -1.1510020 2.4117272 0.1157861 0.0771369 -0.4762645 3.0349696 28 Se 2.7202685 0.5319922 -0.1831545 1.1510020 2.4117272 -0.1157861 0.0771369 0.4762645 3.0349696 29 Ba 2.8402630 -0.0096390 -0.0187327 -0.0799684 2.8021552 -0.2054440 -0.1029900 0.2027438 2.9067042 30 Ba 2.8402630 0.0096390 -0.0187327 0.0799684 2.8021552 0.2054440 -0.1029900 -0.2027438 2.9067042 31 Ba 2.8402630 -0.0096390 -0.0187327 -0.0799684 2.8021552 -0.2054440 -0.1029900 0.2027438 2.9067042 32 Ba 2.8402630 0.0096390 -0.0187327 0.0799684 2.8021552 0.2054440 -0.1029900 -0.2027438 2.9067042 ---------------------------------------------------------------------------- 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 13, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 25, 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] [-0.0003 0.0000 0.0100] [ 0.0003 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 73, 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] [-0.0003 0.0000 0.0100] [ 0.0003 0.0000 -0.0100] Computing fc3[ 85, 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] [-0.0003 0.0000 0.0100] [ 0.0003 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 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) 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 07:19:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:19:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [3 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 4.523487810977511 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677771740000003 0.000000000000000 c -0.327421911448415 0.000000000000000 9.730086625240803 Atomic positions (fractional): 1 O 0.74566685796711 0.44007079067130 0.40444133120061 15.999 2 O 0.25433314203289 0.94007079067130 0.09555866879939 15.999 3 O 0.25433314203289 0.55992920932870 0.59555866879939 15.999 4 O 0.74566685796711 0.05992920932870 0.90444133120061 15.999 5 O 0.33726251018255 0.34417568113163 0.24078448003095 15.999 6 O 0.66273748981744 0.84417568113163 0.25921551996905 15.999 7 O 0.66273748981744 0.65582431886837 0.75921551996905 15.999 8 O 0.33726251018255 0.15582431886837 0.74078448003095 15.999 9 O 0.36902770538008 0.46470751371997 0.84613239089620 15.999 10 O 0.63097229461992 0.96470751371997 0.65386760910380 15.999 11 O 0.63097229461992 0.53529248628003 0.15386760910380 15.999 12 O 0.36902770538008 0.03529248628003 0.34613239089620 15.999 13 O 0.78261424575315 0.14260852811013 0.20210009324355 15.999 14 O 0.21738575424685 0.64260852811013 0.29789990675645 15.999 15 O 0.21738575424685 0.85739147188987 0.79789990675645 15.999 16 O 0.78261424575315 0.35739147188987 0.70210009324355 15.999 17 O 0.73393743896162 0.18933782566671 0.46743648779208 15.999 18 O 0.26606256103838 0.68933782566671 0.03256351220792 15.999 19 O 0.26606256103838 0.81066217433329 0.53256351220792 15.999 20 O 0.73393743896162 0.31066217433329 0.96743648779208 15.999 21 Se 0.69128950080681 0.39130958524763 0.24135565632192 78.960 22 Se 0.30871049919319 0.89130958524763 0.25864434367808 78.960 23 Se 0.30871049919319 0.60869041475237 0.75864434367808 78.960 24 Se 0.69128950080681 0.10869041475237 0.74135565632192 78.960 25 Se 0.76455365062133 0.42121700731432 0.85708420796795 78.960 26 Se 0.23544634937867 0.92121700731432 0.64291579203205 78.960 27 Se 0.23544634937867 0.57878299268568 0.14291579203205 78.960 28 Se 0.76455365062133 0.07878299268568 0.35708420796795 78.960 29 Ba 0.25552510284280 0.33159526961669 0.53805424089241 137.327 30 Ba 0.74447489715720 0.83159526961669 0.96194575910759 137.327 31 Ba 0.74447489715720 0.66840473038331 0.46194575910759 137.327 32 Ba 0.25552510284280 0.16840473038331 0.03805424089241 137.327 -------------------------------- supercell --------------------------------- Lattice vectors: a 13.570463432932534 0.000000000000000 0.000000000000000 b 0.000000000000000 11.677771740000003 0.000000000000000 c -0.327421911448415 0.000000000000000 9.730086625240803 Atomic positions (fractional): 1 O 0.24855561932237 0.44007079067130 0.40444133120061 15.999 > 1 2 O 0.58188895265570 0.44007079067130 0.40444133120061 15.999 > 1 3 O 0.91522228598904 0.44007079067130 0.40444133120061 15.999 > 1 4 O 0.08477771401096 0.94007079067130 0.09555866879939 15.999 > 4 5 O 0.41811104734430 0.94007079067130 0.09555866879939 15.999 > 4 6 O 0.75144438067763 0.94007079067130 0.09555866879939 15.999 > 4 7 O 0.08477771401096 0.55992920932870 0.59555866879939 15.999 > 7 8 O 0.41811104734430 0.55992920932870 0.59555866879939 15.999 > 7 9 O 0.75144438067763 0.55992920932870 0.59555866879939 15.999 > 7 10 O 0.24855561932237 0.05992920932870 0.90444133120061 15.999 > 10 11 O 0.58188895265570 0.05992920932870 0.90444133120061 15.999 > 10 12 O 0.91522228598904 0.05992920932870 0.90444133120061 15.999 > 10 13 O 0.11242083672752 0.34417568113163 0.24078448003095 15.999 > 13 14 O 0.44575417006085 0.34417568113163 0.24078448003095 15.999 > 13 15 O 0.77908750339418 0.34417568113163 0.24078448003095 15.999 > 13 16 O 0.22091249660581 0.84417568113163 0.25921551996905 15.999 > 16 17 O 0.55424582993915 0.84417568113163 0.25921551996905 15.999 > 16 18 O 0.88757916327248 0.84417568113163 0.25921551996905 15.999 > 16 19 O 0.22091249660581 0.65582431886837 0.75921551996905 15.999 > 19 20 O 0.55424582993915 0.65582431886837 0.75921551996905 15.999 > 19 21 O 0.88757916327248 0.65582431886837 0.75921551996905 15.999 > 19 22 O 0.11242083672752 0.15582431886837 0.74078448003095 15.999 > 22 23 O 0.44575417006085 0.15582431886837 0.74078448003095 15.999 > 22 24 O 0.77908750339418 0.15582431886837 0.74078448003095 15.999 > 22 25 O 0.12300923512669 0.46470751371997 0.84613239089620 15.999 > 25 26 O 0.45634256846003 0.46470751371997 0.84613239089620 15.999 > 25 27 O 0.78967590179336 0.46470751371997 0.84613239089620 15.999 > 25 28 O 0.21032409820664 0.96470751371997 0.65386760910380 15.999 > 28 29 O 0.54365743153997 0.96470751371997 0.65386760910380 15.999 > 28 30 O 0.87699076487331 0.96470751371997 0.65386760910380 15.999 > 28 31 O 0.21032409820664 0.53529248628003 0.15386760910380 15.999 > 31 32 O 0.54365743153997 0.53529248628003 0.15386760910380 15.999 > 31 33 O 0.87699076487331 0.53529248628003 0.15386760910380 15.999 > 31 34 O 0.12300923512669 0.03529248628003 0.34613239089620 15.999 > 34 35 O 0.45634256846003 0.03529248628003 0.34613239089620 15.999 > 34 36 O 0.78967590179336 0.03529248628003 0.34613239089620 15.999 > 34 37 O 0.26087141525105 0.14260852811013 0.20210009324355 15.999 > 37 38 O 0.59420474858438 0.14260852811013 0.20210009324355 15.999 > 37 39 O 0.92753808191772 0.14260852811013 0.20210009324355 15.999 > 37 40 O 0.07246191808228 0.64260852811013 0.29789990675645 15.999 > 40 41 O 0.40579525141562 0.64260852811013 0.29789990675645 15.999 > 40 42 O 0.73912858474895 0.64260852811013 0.29789990675645 15.999 > 40 43 O 0.07246191808228 0.85739147188987 0.79789990675645 15.999 > 43 44 O 0.40579525141562 0.85739147188987 0.79789990675645 15.999 > 43 45 O 0.73912858474895 0.85739147188987 0.79789990675645 15.999 > 43 46 O 0.26087141525105 0.35739147188987 0.70210009324355 15.999 > 46 47 O 0.59420474858438 0.35739147188987 0.70210009324355 15.999 > 46 48 O 0.92753808191772 0.35739147188987 0.70210009324355 15.999 > 46 49 O 0.24464581298721 0.18933782566671 0.46743648779208 15.999 > 49 50 O 0.57797914632054 0.18933782566671 0.46743648779208 15.999 > 49 51 O 0.91131247965387 0.18933782566671 0.46743648779208 15.999 > 49 52 O 0.08868752034612 0.68933782566671 0.03256351220792 15.999 > 52 53 O 0.42202085367946 0.68933782566671 0.03256351220792 15.999 > 52 54 O 0.75535418701279 0.68933782566671 0.03256351220792 15.999 > 52 55 O 0.08868752034612 0.81066217433329 0.53256351220792 15.999 > 55 56 O 0.42202085367946 0.81066217433329 0.53256351220792 15.999 > 55 57 O 0.75535418701279 0.81066217433329 0.53256351220792 15.999 > 55 58 O 0.24464581298721 0.31066217433329 0.96743648779208 15.999 > 58 59 O 0.57797914632054 0.31066217433329 0.96743648779208 15.999 > 58 60 O 0.91131247965387 0.31066217433329 0.96743648779208 15.999 > 58 61 Se 0.23042983360227 0.39130958524763 0.24135565632192 78.960 > 61 62 Se 0.56376316693560 0.39130958524763 0.24135565632192 78.960 > 61 63 Se 0.89709650026894 0.39130958524763 0.24135565632192 78.960 > 61 64 Se 0.10290349973106 0.89130958524763 0.25864434367808 78.960 > 64 65 Se 0.43623683306440 0.89130958524763 0.25864434367808 78.960 > 64 66 Se 0.76957016639773 0.89130958524763 0.25864434367808 78.960 > 64 67 Se 0.10290349973106 0.60869041475237 0.75864434367808 78.960 > 67 68 Se 0.43623683306440 0.60869041475237 0.75864434367808 78.960 > 67 69 Se 0.76957016639773 0.60869041475237 0.75864434367808 78.960 > 67 70 Se 0.23042983360227 0.10869041475237 0.74135565632192 78.960 > 70 71 Se 0.56376316693560 0.10869041475237 0.74135565632192 78.960 > 70 72 Se 0.89709650026894 0.10869041475237 0.74135565632192 78.960 > 70 73 Se 0.25485121687378 0.42121700731432 0.85708420796795 78.960 > 73 74 Se 0.58818455020711 0.42121700731432 0.85708420796795 78.960 > 73 75 Se 0.92151788354044 0.42121700731432 0.85708420796795 78.960 > 73 76 Se 0.07848211645956 0.92121700731432 0.64291579203205 78.960 > 76 77 Se 0.41181544979289 0.92121700731432 0.64291579203205 78.960 > 76 78 Se 0.74514878312622 0.92121700731432 0.64291579203205 78.960 > 76 79 Se 0.07848211645956 0.57878299268568 0.14291579203205 78.960 > 79 80 Se 0.41181544979289 0.57878299268568 0.14291579203205 78.960 > 79 81 Se 0.74514878312622 0.57878299268568 0.14291579203205 78.960 > 79 82 Se 0.25485121687378 0.07878299268568 0.35708420796795 78.960 > 82 83 Se 0.58818455020711 0.07878299268568 0.35708420796795 78.960 > 82 84 Se 0.92151788354044 0.07878299268568 0.35708420796795 78.960 > 82 85 Ba 0.08517503428093 0.33159526961669 0.53805424089241 137.327 > 85 86 Ba 0.41850836761427 0.33159526961669 0.53805424089241 137.327 > 85 87 Ba 0.75184170094760 0.33159526961669 0.53805424089241 137.327 > 85 88 Ba 0.24815829905240 0.83159526961669 0.96194575910759 137.327 > 88 89 Ba 0.58149163238573 0.83159526961669 0.96194575910759 137.327 > 88 90 Ba 0.91482496571907 0.83159526961669 0.96194575910759 137.327 > 88 91 Ba 0.24815829905240 0.66840473038331 0.46194575910759 137.327 > 91 92 Ba 0.58149163238573 0.66840473038331 0.46194575910759 137.327 > 91 93 Ba 0.91482496571907 0.66840473038331 0.46194575910759 137.327 > 91 94 Ba 0.08517503428093 0.16840473038331 0.03805424089241 137.327 > 94 95 Ba 0.41850836761427 0.16840473038331 0.03805424089241 137.327 > 94 96 Ba 0.75184170094760 0.16840473038331 0.03805424089241 137.327 > 94 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7946285 0.0000000 0.0700893 0.0000000 3.7206733 0.0000000 0.0700906 0.0000000 3.7544957 -------------------------- Born effective charges -------------------------- 1 O -1.1410052 -0.2787742 -0.6639848 -0.0146408 -1.3747993 -0.0579820 0.0048594 -0.6572524 -2.3823979 2 O -1.1410052 0.2787742 -0.6639848 0.0146408 -1.3747993 0.0579820 0.0048594 0.6572524 -2.3823979 3 O -1.1410052 -0.2787742 -0.6639848 -0.0146408 -1.3747993 -0.0579820 0.0048594 -0.6572524 -2.3823979 4 O -1.1410052 0.2787742 -0.6639848 0.0146408 -1.3747993 0.0579820 0.0048594 0.6572524 -2.3823979 5 O -2.0375198 -0.2527828 0.0630458 -0.6759418 -1.4461282 0.0605680 -0.2157854 -0.1210393 -1.1789936 6 O -2.0375198 0.2527828 0.0630458 0.6759418 -1.4461282 -0.0605680 -0.2157854 0.1210393 -1.1789936 7 O -2.0375198 -0.2527828 0.0630458 -0.6759418 -1.4461282 0.0605680 -0.2157854 -0.1210393 -1.1789936 8 O -2.0375198 0.2527828 0.0630458 0.6759418 -1.4461282 -0.0605680 -0.2157854 0.1210393 -1.1789936 9 O -2.5168789 0.5580145 -0.2838160 1.3563197 -2.0659979 0.4983491 -0.3628191 0.6117613 -1.1678642 10 O -2.5168789 -0.5580145 -0.2838160 -1.3563197 -2.0659979 -0.4983491 -0.3628191 -0.6117613 -1.1678642 11 O -2.5168789 0.5580145 -0.2838160 1.3563197 -2.0659979 0.4983491 -0.3628191 0.6117613 -1.1678642 12 O -2.5168789 -0.5580145 -0.2838160 -1.3563197 -2.0659979 -0.4983491 -0.3628191 -0.6117613 -1.1678642 13 O -1.2424975 -0.1082665 0.4655541 -0.0481173 -1.5385032 0.6415440 0.0357069 0.7191887 -2.2679120 14 O -1.2424975 0.1082665 0.4655541 0.0481173 -1.5385032 -0.6415440 0.0357069 -0.7191887 -2.2679120 15 O -1.2424975 -0.1082665 0.4655541 -0.0481173 -1.5385032 0.6415440 0.0357069 0.7191887 -2.2679120 16 O -1.2424975 0.1082665 0.4655541 0.0481173 -1.5385032 -0.6415440 0.0357069 -0.7191887 -2.2679120 17 O -0.9610594 -0.0391167 -0.0277020 0.0652973 -1.8409378 -0.3073734 0.2397335 -1.0643996 -2.0732744 18 O -0.9610594 0.0391167 -0.0277020 -0.0652973 -1.8409378 0.3073734 0.2397335 1.0643996 -2.0732744 19 O -0.9610594 -0.0391167 -0.0277020 0.0652973 -1.8409378 -0.3073734 0.2397335 -1.0643996 -2.0732744 20 O -0.9610594 0.0391167 -0.0277020 -0.0652973 -1.8409378 0.3073734 0.2397335 1.0643996 -2.0732744 21 Se 2.3384293 0.0200255 0.6487900 0.4078623 3.0524840 -0.4722708 0.3241578 -0.0211604 3.1287683 22 Se 2.3384293 -0.0200255 0.6487900 -0.4078623 3.0524840 0.4722708 0.3241578 0.0211604 3.1287683 23 Se 2.3384293 0.0200255 0.6487900 0.4078623 3.0524840 -0.4722708 0.3241578 -0.0211604 3.1287683 24 Se 2.3384293 -0.0200255 0.6487900 -0.4078623 3.0524840 0.4722708 0.3241578 0.0211604 3.1287683 25 Se 2.7202685 -0.5319922 -0.1831545 -1.1510020 2.4117272 0.1157861 0.0771369 -0.4762645 3.0349696 26 Se 2.7202685 0.5319922 -0.1831545 1.1510020 2.4117272 -0.1157861 0.0771369 0.4762645 3.0349696 27 Se 2.7202685 -0.5319922 -0.1831545 -1.1510020 2.4117272 0.1157861 0.0771369 -0.4762645 3.0349696 28 Se 2.7202685 0.5319922 -0.1831545 1.1510020 2.4117272 -0.1157861 0.0771369 0.4762645 3.0349696 29 Ba 2.8402630 -0.0096390 -0.0187327 -0.0799684 2.8021552 -0.2054440 -0.1029900 0.2027438 2.9067042 30 Ba 2.8402630 0.0096390 -0.0187327 0.0799684 2.8021552 0.2054440 -0.1029900 -0.2027438 2.9067042 31 Ba 2.8402630 -0.0096390 -0.0187327 -0.0799684 2.8021552 -0.2054440 -0.1029900 0.2027438 2.9067042 32 Ba 2.8402630 0.0096390 -0.0187327 0.0799684 2.8021552 0.2054440 -0.1029900 -0.2027438 2.9067042 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yzy) 0.00000000 (yzy) 0.00000000 (yyz) 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 ... [ 11 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 299, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.264 ( 0.000 0.000 0.000) 0.000 1.284 ( 0.000 0.000 0.000) 0.000 1.577 ( 0.000 0.000 0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 1.798 ( 0.000 0.000 0.000) 0.000 1.878 ( 0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 2.086 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.452 ( 0.000 0.000 0.000) 0.000 2.456 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.562 ( 0.000 0.000 0.000) 0.000 2.649 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.096 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.509 ( 0.000 0.000 0.000) 0.000 3.592 ( 0.000 0.000 0.000) 0.000 3.613 ( 0.000 0.000 0.000) 0.000 3.747 ( 0.000 0.000 0.000) 0.000 3.752 ( 0.000 0.000 0.000) 0.000 3.920 ( 0.000 0.000 0.000) 0.000 3.981 ( 0.000 0.000 0.000) 0.000 3.995 ( 0.000 0.000 0.000) 0.000 4.186 ( 0.000 0.000 0.000) 0.000 4.887 ( 0.000 0.000 0.000) 0.000 4.945 ( 0.000 0.000 0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.021 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.239 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 0.000) 0.000 5.386 ( 0.000 0.000 0.000) 0.000 5.402 ( 0.000 0.000 0.000) 0.000 5.834 ( 0.000 0.000 0.000) 0.000 5.941 ( 0.000 0.000 0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.901 ( 0.000 0.000 0.000) 0.000 6.944 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 7.110 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.176 ( 0.000 0.000 0.000) 0.000 8.321 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 8.847 ( 0.000 0.000 0.000) 0.000 9.379 ( 0.000 0.000 0.000) 0.000 9.445 ( 0.000 0.000 0.000) 0.000 10.645 ( 0.000 0.000 0.000) 0.000 10.676 ( 0.000 0.000 0.000) 0.000 10.793 ( 0.000 0.000 0.000) 0.000 10.833 ( 0.000 0.000 0.000) 0.000 10.960 ( 0.000 0.000 0.000) 0.000 11.335 ( 0.000 0.000 0.000) 0.000 11.448 ( 0.000 0.000 0.000) 0.000 11.481 ( 0.000 0.000 0.000) 0.000 11.708 ( 0.000 0.000 0.000) 0.000 11.732 ( 0.000 0.000 0.000) 0.000 11.867 ( 0.000 0.000 0.000) 0.000 11.999 ( 0.000 0.000 0.000) 0.000 13.454 ( 0.000 0.000 0.000) 0.000 13.655 ( 0.000 0.000 0.000) 0.000 14.577 ( 0.000 0.000 0.000) 0.000 14.619 ( 0.000 0.000 0.000) 0.000 14.660 ( 0.000 0.000 0.000) 0.000 14.692 ( 0.000 0.000 0.000) 0.000 14.723 ( 0.000 0.000 0.000) 0.000 15.742 ( 0.000 0.000 0.000) 0.000 22.102 ( 0.000 0.000 0.000) 0.000 22.366 ( 0.000 0.000 0.000) 0.000 22.413 ( 0.000 0.000 0.000) 0.000 22.509 ( 0.000 0.000 0.000) 0.000 22.821 ( 0.000 0.000 0.000) 0.000 22.885 ( 0.000 0.000 0.000) 0.000 23.225 ( 0.000 0.000 0.000) 0.000 23.301 ( 0.000 0.000 0.000) 0.000 23.649 ( 0.000 0.000 0.000) 0.000 24.010 ( 0.000 0.000 0.000) 0.000 24.295 ( 0.000 0.000 0.000) 0.000 24.704 ( 0.000 0.000 0.000) 0.000 24.714 ( 0.000 0.000 0.000) 0.000 25.015 ( 0.000 0.000 0.000) 0.000 25.137 ( 0.000 0.000 0.000) 0.000 25.415 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.09 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 17.853 0.000 -1.929) 17.956 0.405 ( 20.506 0.000 -2.728) 20.687 0.810 ( 39.378 0.000 -3.500) 39.533 1.289 ( 2.871 0.000 -4.845) 5.632 1.362 ( 7.322 0.000 -5.278) 9.026 1.611 ( 3.369 0.000 -1.410) 3.652 1.812 ( 1.482 0.000 -3.395) 3.704 1.832 ( 5.078 0.000 -0.357) 5.091 1.919 ( 1.259 0.000 11.519) 11.588 2.004 ( 2.154 0.000 -2.255) 3.118 2.100 ( 0.401 0.000 5.764) 5.778 2.186 ( -0.861 0.000 -4.942) 5.017 2.290 ( 5.706 0.000 -1.405) 5.877 2.476 ( 1.618 0.000 -0.279) 1.642 2.509 ( 4.400 0.000 3.826) 5.831 2.603 ( 5.946 0.000 1.886) 6.238 2.638 ( 7.733 0.000 -0.513) 7.750 2.704 ( 4.333 0.000 0.307) 4.344 2.883 ( -1.259 0.000 13.525) 13.583 2.973 ( -1.465 0.000 1.891) 2.392 3.009 ( -6.447 0.000 -2.302) 6.846 3.092 ( -4.891 0.000 3.778) 6.180 3.238 ( 1.975 0.000 4.123) 4.571 3.303 ( 3.144 0.000 -4.973) 5.884 3.410 ( -3.097 0.000 1.864) 3.614 3.417 ( -1.515 0.000 9.518) 9.638 3.449 ( -0.057 0.000 -0.237) 0.243 3.522 ( 1.837 0.000 -3.904) 4.315 3.655 ( 4.145 0.000 -0.820) 4.225 3.689 ( -2.278 0.000 -1.205) 2.577 3.790 ( 1.502 0.000 -16.270) 16.339 3.852 ( 6.345 0.000 -5.302) 8.269 3.907 ( -1.094 0.000 -2.349) 2.591 3.980 ( -1.232 0.000 -0.301) 1.269 4.163 ( 0.731 0.000 -9.553) 9.581 4.188 ( 0.542 0.000 1.544) 1.636 4.874 ( -1.341 0.000 2.242) 2.612 4.922 ( -1.690 0.000 0.384) 1.733 5.009 ( 1.579 0.000 -1.996) 2.545 5.044 ( 1.075 0.000 0.088) 1.079 5.130 ( 0.324 0.000 -0.042) 0.326 5.242 ( 0.319 0.000 0.126) 0.343 5.365 ( -0.601 0.000 0.444) 0.747 5.394 ( 0.766 0.000 -0.043) 0.767 5.553 ( -0.961 0.000 4.514) 4.615 5.829 ( -0.656 0.000 2.780) 2.857 5.864 ( -7.110 0.000 2.400) 7.504 6.095 ( -5.230 0.000 -5.143) 7.335 6.889 ( -1.011 0.000 -0.914) 1.363 6.953 ( 0.745 0.000 0.449) 0.870 7.007 ( -0.390 0.000 1.539) 1.588 7.146 ( 3.059 0.000 2.183) 3.758 8.024 ( 0.805 0.000 0.504) 0.950 8.149 ( 1.034 0.000 -0.982) 1.426 8.206 ( 1.157 0.000 -5.233) 5.360 8.327 ( 0.725 0.000 0.691) 1.001 8.777 ( -1.077 0.000 0.567) 1.217 8.847 ( -0.002 0.000 -0.336) 0.336 9.422 ( -2.133 0.000 -0.561) 2.205 9.543 ( -2.293 0.000 -2.883) 3.684 10.602 ( -3.614 0.000 1.091) 3.775 10.621 ( -4.202 0.000 -0.385) 4.220 10.837 ( 1.962 0.000 5.150) 5.511 10.873 ( 3.495 0.000 -4.108) 5.394 11.151 ( 0.371 0.000 4.703) 4.718 11.305 ( -2.303 0.000 1.843) 2.950 11.438 ( -0.778 0.000 -2.095) 2.235 11.459 ( -2.127 0.000 1.899) 2.851 11.732 ( 1.949 0.000 2.085) 2.854 11.758 ( 2.526 0.000 -0.121) 2.529 11.903 ( 3.463 0.000 -0.255) 3.472 12.041 ( 4.005 0.000 0.090) 4.006 13.489 ( 3.206 0.000 0.340) 3.224 13.694 ( 3.100 0.000 -0.044) 3.100 14.531 ( -3.249 0.000 0.554) 3.295 14.694 ( 2.241 0.000 -0.670) 2.339 14.862 ( 13.737 0.000 2.628) 13.986 14.906 ( 18.702 0.000 -2.475) 18.865 14.936 ( 8.762 0.000 -11.110) 14.149 17.021 ( -7.305 0.000 30.967) 31.817 22.143 ( 3.822 0.000 1.397) 4.069 22.441 ( 2.590 0.000 -0.204) 2.598 22.519 ( 0.770 0.000 6.138) 6.186 22.650 ( -0.181 0.000 40.508) 40.508 22.837 ( 1.638 0.000 -2.890) 3.322 23.240 ( 1.237 0.000 -0.392) 1.298 23.240 ( 2.671 0.000 -9.605) 9.969 23.319 ( 1.846 0.000 -1.483) 2.368 23.949 ( -0.486 0.000 -14.133) 14.142 24.057 ( 3.400 0.000 -5.073) 6.107 24.277 ( -1.637 0.000 1.930) 2.531 24.657 ( -3.931 0.000 -1.834) 4.337 24.686 ( -3.196 0.000 0.361) 3.217 24.968 ( -4.494 0.000 -0.227) 4.500 25.097 ( -3.919 0.000 0.249) 3.927 25.329 ( -8.197 0.000 0.763) 8.232 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.18 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.718 ( 19.259 0.000 -0.509) 19.266 0.820 ( 20.784 0.000 -3.824) 21.132 1.382 ( 6.805 0.000 -8.072) 10.558 1.520 ( 18.464 0.000 -10.943) 21.463 1.561 ( 22.169 0.000 0.059) 22.169 1.713 ( 8.939 0.000 -3.733) 9.687 1.840 ( 1.188 0.000 -4.589) 4.740 1.943 ( 5.424 0.000 -1.312) 5.580 1.972 ( 3.366 0.000 9.393) 9.978 2.048 ( 2.309 0.000 -1.226) 2.614 2.109 ( 0.705 0.000 3.045) 3.125 2.194 ( 1.936 0.000 -3.351) 3.870 2.385 ( 2.378 0.000 1.073) 2.609 2.517 ( 2.294 0.000 0.225) 2.305 2.619 ( 5.811 0.000 2.919) 6.503 2.717 ( 3.506 0.000 3.319) 4.828 2.803 ( 2.113 0.000 5.736) 6.112 2.824 ( 6.028 0.000 4.706) 7.647 2.882 ( -4.422 0.000 -0.452) 4.445 2.899 ( 4.204 0.000 2.657) 4.973 2.935 ( 0.211 0.000 -2.863) 2.871 3.002 ( -3.318 0.000 5.319) 6.270 3.266 ( 0.703 0.000 -0.178) 0.725 3.287 ( -3.429 0.000 4.527) 5.679 3.337 ( -3.777 0.000 3.081) 4.875 3.437 ( -1.129 0.000 1.048) 1.540 3.442 ( 2.909 0.000 -2.520) 3.849 3.571 ( 3.040 0.000 -4.070) 5.080 3.657 ( -0.701 0.000 1.082) 1.289 3.761 ( 5.665 0.000 -0.913) 5.739 3.791 ( -0.897 0.000 1.242) 1.532 3.873 ( -2.180 0.000 -3.355) 4.001 3.952 ( -1.507 0.000 -0.776) 1.695 3.986 ( 6.938 0.000 -6.486) 9.498 4.179 ( 1.599 0.000 -7.870) 8.031 4.231 ( 3.840 0.000 2.065) 4.360 4.838 ( -2.416 0.000 1.501) 2.845 4.886 ( -1.889 0.000 -0.320) 1.916 5.025 ( -2.701 0.000 -1.419) 3.051 5.042 ( 1.638 0.000 -1.366) 2.133 5.179 ( 4.146 0.000 2.702) 4.949 5.249 ( 0.252 0.000 0.280) 0.377 5.361 ( 0.262 0.000 -1.110) 1.140 5.408 ( 0.320 0.000 0.213) 0.384 5.548 ( 0.829 0.000 0.726) 1.102 5.707 ( -7.087 0.000 2.116) 7.396 5.808 ( -1.662 0.000 4.705) 4.990 5.952 ( -8.105 0.000 -7.118) 10.787 6.868 ( -0.758 0.000 -1.037) 1.285 6.971 ( 0.914 0.000 0.135) 0.924 7.009 ( 0.576 0.000 1.267) 1.392 7.223 ( 4.276 0.000 2.946) 5.193 8.047 ( 1.370 0.000 0.629) 1.508 8.176 ( 1.582 0.000 -1.677) 2.305 8.233 ( 1.762 0.000 -4.115) 4.477 8.354 ( 1.824 0.000 1.439) 2.323 8.753 ( -1.241 0.000 0.956) 1.566 8.847 ( 0.053 0.000 -0.657) 0.659 9.366 ( -3.147 0.000 -1.250) 3.386 9.469 ( -4.904 0.000 -0.600) 4.940 10.525 ( -3.747 0.000 0.914) 3.857 10.541 ( -3.317 0.000 -0.138) 3.320 10.873 ( 1.115 0.000 4.815) 4.942 10.948 ( 4.059 0.000 -6.139) 7.359 11.168 ( 1.170 0.000 -0.041) 1.171 11.272 ( -0.829 0.000 4.265) 4.345 11.408 ( -2.931 0.000 2.719) 3.998 11.418 ( -0.960 0.000 -2.419) 2.603 11.784 ( 3.038 0.000 -0.046) 3.038 11.829 ( 4.282 0.000 -0.792) 4.354 11.998 ( 5.810 0.000 0.182) 5.813 12.146 ( 5.967 0.000 0.739) 6.012 13.566 ( 4.021 0.000 0.767) 4.093 13.755 ( 2.843 0.000 -0.166) 2.848 14.462 ( -3.352 0.000 0.861) 3.461 14.711 ( -0.699 0.000 -0.551) 0.890 15.206 ( 17.683 0.000 -3.503) 18.026 15.229 ( 21.451 0.000 3.183) 21.686 15.375 ( 26.013 0.000 -3.165) 26.205 16.888 ( -6.241 0.000 10.342) 12.079 22.247 ( 6.038 0.000 2.673) 6.603 22.502 ( 3.195 0.000 -0.592) 3.249 22.547 ( 1.524 0.000 6.742) 6.912 22.677 ( 0.923 0.000 13.501) 13.533 22.876 ( 2.279 0.000 -3.624) 4.281 23.255 ( -0.140 0.000 -0.299) 0.331 23.298 ( 3.203 0.000 -4.205) 5.286 23.378 ( 4.059 0.000 -2.750) 4.903 23.950 ( 1.261 0.000 -4.916) 5.075 24.124 ( 3.407 0.000 -2.238) 4.077 24.244 ( -1.414 0.000 2.208) 2.622 24.549 ( -6.804 0.000 -2.336) 7.194 24.599 ( -4.819 0.000 1.107) 4.945 24.844 ( -7.462 0.000 -0.331) 7.470 24.988 ( -6.634 0.000 0.703) 6.672 25.112 ( -12.659 0.000 0.920) 12.692 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.27 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 18.794 0.000 1.390) 18.845 1.225 ( 19.544 0.000 -4.622) 20.083 1.538 ( 8.711 0.000 -8.569) 12.219 1.725 ( 9.208 0.000 -10.427) 13.910 1.780 ( 4.744 0.000 -3.159) 5.699 1.846 ( -0.101 0.000 -5.531) 5.531 2.008 ( 4.496 0.000 5.037) 6.752 2.037 ( 3.613 0.000 1.111) 3.780 2.101 ( 3.552 0.000 1.218) 3.756 2.146 ( 2.694 0.000 -0.290) 2.710 2.235 ( 24.207 0.000 -2.230) 24.309 2.238 ( 1.727 0.000 -2.151) 2.758 2.387 ( -0.896 0.000 2.958) 3.090 2.555 ( 1.294 0.000 -0.338) 1.338 2.664 ( -4.021 0.000 5.102) 6.496 2.721 ( -2.360 0.000 7.387) 7.754 2.798 ( -2.215 0.000 5.237) 5.686 2.809 ( -0.324 0.000 0.283) 0.430 2.837 ( 1.170 0.000 0.770) 1.401 2.913 ( -4.191 0.000 2.130) 4.701 3.030 ( 5.343 0.000 0.967) 5.430 3.085 ( 6.049 0.000 -1.903) 6.341 3.266 ( -0.783 0.000 -1.836) 1.996 3.272 ( 2.975 0.000 4.716) 5.575 3.279 ( -2.046 0.000 5.545) 5.910 3.419 ( -0.053 0.000 -0.848) 0.850 3.476 ( 0.913 0.000 -3.184) 3.312 3.642 ( 2.266 0.000 -1.400) 2.664 3.655 ( 1.669 0.000 0.882) 1.888 3.753 ( -2.250 0.000 2.704) 3.518 3.818 ( -2.854 0.000 -3.197) 4.285 3.862 ( 2.498 0.000 1.506) 2.917 3.930 ( 0.638 0.000 -0.214) 0.673 4.107 ( 5.112 0.000 -4.801) 7.013 4.212 ( 1.747 0.000 -4.506) 4.833 4.327 ( 4.812 0.000 0.186) 4.815 4.779 ( -3.192 0.000 -0.332) 3.209 4.841 ( -3.257 0.000 -0.568) 3.306 4.960 ( -2.216 0.000 -1.564) 2.712 5.075 ( 1.727 0.000 0.242) 1.744 5.252 ( 0.159 0.000 0.227) 0.277 5.280 ( 5.333 0.000 4.420) 6.927 5.362 ( -0.363 0.000 -1.746) 1.783 5.403 ( -0.524 0.000 0.440) 0.685 5.598 ( 3.647 0.000 -2.534) 4.441 5.627 ( -1.082 0.000 0.874) 1.391 5.773 ( -1.754 0.000 6.040) 6.289 5.781 ( -7.971 0.000 -7.379) 10.862 6.864 ( 0.509 0.000 -0.817) 0.962 6.986 ( 0.506 0.000 -0.168) 0.534 7.031 ( 1.465 0.000 1.421) 2.041 7.316 ( 4.695 0.000 3.003) 5.574 8.076 ( 1.427 0.000 0.415) 1.486 8.206 ( 1.533 0.000 -1.834) 2.391 8.266 ( 1.642 0.000 -3.921) 4.251 8.395 ( 1.876 0.000 1.915) 2.680 8.734 ( -0.683 0.000 1.081) 1.279 8.850 ( 0.353 0.000 -0.779) 0.855 9.304 ( -2.663 0.000 -1.776) 3.201 9.352 ( -6.336 0.000 0.738) 6.379 10.463 ( -2.326 0.000 0.813) 2.464 10.495 ( -1.274 0.000 -0.371) 1.327 10.888 ( 0.115 0.000 4.126) 4.127 11.022 ( 3.654 0.000 -6.232) 7.225 11.197 ( 1.795 0.000 -2.239) 2.870 11.275 ( 0.547 0.000 5.165) 5.194 11.350 ( -2.919 0.000 2.479) 3.830 11.397 ( -0.976 0.000 -1.410) 1.714 11.847 ( 3.072 0.000 -1.031) 3.240 11.919 ( 4.499 0.000 -1.114) 4.635 12.124 ( 6.324 0.000 0.750) 6.368 12.268 ( 5.880 0.000 1.271) 6.016 13.644 ( 3.648 0.000 1.014) 3.786 13.807 ( 2.347 0.000 -0.435) 2.387 14.409 ( -1.837 0.000 1.015) 2.098 14.673 ( -2.665 0.000 -0.283) 2.680 15.592 ( 19.624 0.000 -1.552) 19.685 15.679 ( 21.929 0.000 3.016) 22.136 15.877 ( 22.924 0.000 -3.201) 23.147 16.809 ( -2.068 0.000 3.699) 4.237 22.375 ( 6.143 0.000 3.811) 7.229 22.559 ( 2.473 0.000 -1.420) 2.851 22.589 ( 2.154 0.000 4.807) 5.267 22.701 ( 0.784 0.000 5.231) 5.289 22.920 ( 2.198 0.000 -2.765) 3.532 23.229 ( -2.175 0.000 -0.328) 2.200 23.351 ( 2.072 0.000 -3.103) 3.731 23.458 ( 3.298 0.000 -3.115) 4.536 23.989 ( 2.607 0.000 -1.219) 2.878 24.187 ( 2.807 0.000 -0.909) 2.951 24.234 ( 0.356 0.000 -0.776) 0.854 24.396 ( -7.561 0.000 2.212) 7.878 24.510 ( -3.879 0.000 0.461) 3.906 24.685 ( -7.884 0.000 -0.429) 7.895 24.845 ( -7.205 0.000 0.571) 7.227 24.855 ( -12.237 0.000 0.168) 12.238 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.36 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 14.695 0.000 2.787) 14.957 1.582 ( 15.752 0.000 -4.053) 16.266 1.699 ( 7.522 0.000 -5.559) 9.353 1.838 ( -0.000 0.000 -6.738) 6.738 1.846 ( 2.210 0.000 -4.161) 4.711 1.873 ( 5.861 0.000 -8.129) 10.022 2.070 ( -1.069 0.000 6.290) 6.380 2.071 ( 2.049 0.000 3.367) 3.941 2.186 ( -0.547 0.000 4.929) 4.959 2.186 ( 4.453 0.000 2.866) 5.296 2.242 ( 1.451 0.000 -12.526) 12.610 2.425 ( 3.911 0.000 3.526) 5.265 2.533 ( 3.432 0.000 -0.854) 3.536 2.541 ( -5.736 0.000 7.143) 9.161 2.598 ( 1.029 0.000 3.908) 4.041 2.701 ( 1.069 0.000 -3.805) 3.953 2.725 ( -2.102 0.000 2.605) 3.348 2.792 ( -3.269 0.000 -6.197) 7.007 2.834 ( -2.524 0.000 3.383) 4.221 2.957 ( 9.660 0.000 5.085) 10.916 3.080 ( 0.073 0.000 1.993) 1.995 3.163 ( 3.050 0.000 -1.695) 3.490 3.221 ( -3.106 0.000 4.588) 5.540 3.262 ( -0.605 0.000 1.799) 1.898 3.346 ( 1.536 0.000 0.924) 1.793 3.446 ( 2.552 0.000 -2.980) 3.923 3.503 ( 2.325 0.000 -0.390) 2.357 3.637 ( -0.392 0.000 3.887) 3.906 3.710 ( -2.010 0.000 1.663) 2.609 3.713 ( -0.029 0.000 0.084) 0.089 3.774 ( 0.424 0.000 -4.889) 4.908 3.853 ( -1.724 0.000 -1.244) 2.126 3.999 ( 4.757 0.000 3.122) 5.690 4.177 ( 2.244 0.000 -2.081) 3.060 4.230 ( -0.078 0.000 -1.620) 1.622 4.401 ( 2.352 0.000 -2.031) 3.108 4.722 ( -2.213 0.000 -1.106) 2.474 4.740 ( -5.495 0.000 -0.081) 5.495 4.984 ( 3.885 0.000 -0.917) 3.992 5.101 ( 0.614 0.000 0.284) 0.676 5.263 ( 0.923 0.000 0.425) 1.016 5.347 ( -0.818 0.000 -1.543) 1.746 5.388 ( 4.665 0.000 5.378) 7.119 5.395 ( -0.486 0.000 0.409) 0.635 5.620 ( -2.906 0.000 -2.048) 3.555 5.637 ( -0.423 0.000 -2.850) 2.881 5.649 ( -1.767 0.000 -4.860) 5.171 5.781 ( 2.521 0.000 4.558) 5.208 6.888 ( 1.860 0.000 -0.406) 1.904 6.988 ( -0.386 0.000 -0.316) 0.499 7.065 ( 1.612 0.000 1.157) 1.985 7.409 ( 4.055 0.000 2.350) 4.687 8.102 ( 1.041 0.000 0.173) 1.055 8.232 ( 1.098 0.000 -1.372) 1.758 8.289 ( 0.796 0.000 -3.247) 3.343 8.425 ( 0.930 0.000 1.689) 1.928 8.727 ( -0.133 0.000 0.852) 0.863 8.862 ( 0.850 0.000 -0.607) 1.044 9.230 ( -5.509 0.000 1.177) 5.633 9.262 ( -1.390 0.000 -1.631) 2.143 10.432 ( -0.957 0.000 0.693) 1.181 10.483 ( -0.157 0.000 -0.540) 0.562 10.888 ( -0.256 0.000 2.808) 2.820 11.088 ( 3.374 0.000 -4.713) 5.796 11.233 ( 1.769 0.000 -2.693) 3.222 11.289 ( -1.095 0.000 4.247) 4.386 11.296 ( -1.138 0.000 1.581) 1.948 11.378 ( -0.910 0.000 -0.157) 0.923 11.901 ( 2.215 0.000 -1.057) 2.454 11.998 ( 3.224 0.000 -0.919) 3.352 12.240 ( 4.809 0.000 0.843) 4.882 12.373 ( 4.232 0.000 1.203) 4.399 13.710 ( 2.657 0.000 0.857) 2.791 13.848 ( 1.667 0.000 -0.557) 1.758 14.390 ( -0.256 0.000 0.886) 0.922 14.617 ( -2.616 0.000 -0.344) 2.639 15.949 ( 14.982 0.000 -0.699) 14.999 16.073 ( 16.137 0.000 2.240) 16.292 16.259 ( 14.784 0.000 -2.456) 14.987 16.797 ( 0.300 0.000 1.275) 1.310 22.485 ( 4.180 0.000 4.144) 5.886 22.601 ( 1.844 0.000 -2.040) 2.750 22.637 ( 2.300 0.000 2.895) 3.697 22.713 ( 0.145 0.000 1.677) 1.683 22.958 ( 1.686 0.000 -1.585) 2.314 23.186 ( -1.593 0.000 -0.427) 1.649 23.377 ( 0.774 0.000 -2.213) 2.344 23.477 ( -1.501 0.000 -2.770) 3.151 24.039 ( 2.037 0.000 0.444) 2.085 24.228 ( -1.848 0.000 -6.346) 6.610 24.231 ( 1.533 0.000 -0.108) 1.537 24.306 ( -0.266 0.000 8.476) 8.480 24.449 ( -2.145 0.000 0.768) 2.278 24.549 ( -5.015 0.000 -0.595) 5.050 24.639 ( -8.978 0.000 -1.047) 9.039 24.713 ( -5.708 0.000 0.170) 5.711 ======================= Grid point 5 (6/84) ======================= q-point: ( 0.45 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( 5.058 0.000 1.648) 5.320 1.821 ( 3.832 0.000 1.525) 4.124 1.830 ( 8.179 0.000 -1.039) 8.245 1.842 ( 0.814 0.000 -7.102) 7.149 1.870 ( 0.598 0.000 -2.141) 2.223 1.940 ( 1.153 0.000 -4.255) 4.408 2.045 ( 0.524 0.000 3.208) 3.251 2.089 ( -0.347 0.000 1.953) 1.983 2.120 ( -5.119 0.000 2.249) 5.591 2.259 ( 2.024 0.000 1.529) 2.537 2.285 ( 1.719 0.000 -5.619) 5.876 2.455 ( -0.223 0.000 -0.158) 0.273 2.529 ( -2.926 0.000 1.289) 3.198 2.543 ( 3.364 0.000 7.372) 8.104 2.601 ( 2.710 0.000 -0.684) 2.795 2.661 ( -1.573 0.000 1.965) 2.517 2.701 ( -3.883 0.000 -5.417) 6.665 2.775 ( 1.389 0.000 -2.795) 3.121 2.802 ( -1.171 0.000 1.570) 1.959 3.033 ( -1.305 0.000 1.003) 1.646 3.134 ( 2.279 0.000 4.639) 5.169 3.177 ( -0.807 0.000 0.682) 1.056 3.226 ( 3.328 0.000 -2.224) 4.003 3.272 ( 2.003 0.000 0.122) 2.007 3.319 ( -3.134 0.000 0.866) 3.251 3.490 ( 1.350 0.000 -1.222) 1.821 3.556 ( 2.168 0.000 -0.787) 2.306 3.636 ( -0.327 0.000 5.054) 5.065 3.674 ( -1.631 0.000 -2.146) 2.696 3.681 ( -0.842 0.000 0.184) 0.862 3.804 ( 1.100 0.000 -1.757) 2.073 3.816 ( -1.434 0.000 -0.435) 1.499 4.106 ( 5.348 0.000 2.293) 5.819 4.197 ( -3.179 0.000 -1.066) 3.353 4.204 ( 0.683 0.000 -0.403) 0.793 4.421 ( 0.141 0.000 -1.236) 1.244 4.664 ( -1.756 0.000 -0.091) 1.759 4.692 ( -0.697 0.000 -0.539) 0.881 5.063 ( 2.763 0.000 -0.056) 2.764 5.104 ( -0.104 0.000 0.052) 0.116 5.282 ( 0.623 0.000 0.219) 0.660 5.333 ( -0.396 0.000 -0.679) 0.786 5.374 ( -1.034 0.000 -0.459) 1.131 5.472 ( 3.095 0.000 7.510) 8.123 5.539 ( -2.988 0.000 -7.435) 8.013 5.613 ( -0.909 0.000 -0.580) 1.078 5.658 ( 0.541 0.000 -0.101) 0.551 5.835 ( 1.679 0.000 1.086) 2.000 6.931 ( 2.159 0.000 0.004) 2.159 6.969 ( -1.432 0.000 -0.268) 1.457 7.090 ( 0.710 0.000 0.444) 0.837 7.470 ( 1.682 0.000 0.920) 1.917 8.117 ( 0.400 0.000 0.049) 0.403 8.247 ( 0.394 0.000 -0.500) 0.636 8.295 ( 0.109 0.000 -1.346) 1.351 8.436 ( 0.219 0.000 0.676) 0.711 8.727 ( 0.009 0.000 0.320) 0.321 8.879 ( 0.637 0.000 -0.253) 0.686 9.148 ( -2.336 0.000 0.589) 2.409 9.244 ( -0.358 0.000 -0.663) 0.754 10.421 ( -0.214 0.000 0.286) 0.357 10.482 ( 0.038 0.000 -0.261) 0.264 10.885 ( -0.128 0.000 1.001) 1.009 11.150 ( 2.731 0.000 -2.624) 3.787 11.236 ( -2.574 0.000 1.811) 3.147 11.259 ( 0.805 0.000 -1.319) 1.545 11.305 ( 0.269 0.000 1.218) 1.247 11.363 ( -0.450 0.000 0.272) 0.526 11.931 ( 0.798 0.000 -0.428) 0.906 12.042 ( 1.146 0.000 -0.351) 1.198 12.308 ( 1.785 0.000 0.364) 1.821 12.433 ( 1.536 0.000 0.493) 1.613 13.748 ( 0.994 0.000 0.333) 1.049 13.871 ( 0.613 0.000 -0.261) 0.666 14.391 ( 0.144 0.000 0.361) 0.389 14.578 ( -1.047 0.000 -0.179) 1.063 16.162 ( 5.662 0.000 -0.200) 5.666 16.302 ( 5.973 0.000 0.883) 6.038 16.457 ( 4.978 0.000 -0.976) 5.072 16.806 ( 0.297 0.000 0.312) 0.431 22.540 ( 1.215 0.000 1.798) 2.170 22.629 ( 0.902 0.000 -0.873) 1.256 22.680 ( 1.733 0.000 1.450) 2.260 22.708 ( -0.765 0.000 -0.155) 0.781 22.982 ( 0.658 0.000 -0.503) 0.829 23.176 ( 0.367 0.000 -0.229) 0.432 23.384 ( 0.140 0.000 -0.825) 0.837 23.418 ( -2.719 0.000 -1.174) 2.962 24.064 ( 0.459 0.000 0.449) 0.642 24.194 ( -0.767 0.000 -1.146) 1.379 24.248 ( 0.330 0.000 0.079) 0.340 24.341 ( 1.947 0.000 1.786) 2.642 24.429 ( 0.181 0.000 2.375) 2.382 24.490 ( -1.081 0.000 -0.326) 1.129 24.496 ( -4.952 0.000 -2.260) 5.444 24.628 ( -2.368 0.000 -0.038) 2.368 ======================= Grid point 11 (7/84) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.396 ( 0.000 18.245 0.000) 18.245 0.469 ( 0.000 21.372 0.000) 21.372 0.755 ( 0.000 34.010 0.000) 34.010 1.089 ( 0.000 -12.051 0.000) 12.051 1.281 ( 0.000 -12.812 0.000) 12.812 1.484 ( 0.000 3.306 0.000) 3.306 1.686 ( 0.000 -5.778 0.000) 5.778 1.876 ( 0.000 6.772 0.000) 6.772 1.922 ( 0.000 -7.990 0.000) 7.990 1.999 ( 0.000 -2.724 0.000) 2.724 2.081 ( 0.000 3.108 0.000) 3.108 2.214 ( 0.000 -1.422 0.000) 1.422 2.280 ( 0.000 7.537 0.000) 7.537 2.367 ( 0.000 -5.674 0.000) 5.674 2.457 ( 0.000 -0.919 0.000) 0.919 2.544 ( 0.000 3.253 0.000) 3.253 2.680 ( 0.000 0.101 0.000) 0.101 2.745 ( 0.000 -4.174 0.000) 4.174 2.914 ( 0.000 -2.057 0.000) 2.057 2.915 ( 0.000 -0.340 0.000) 0.340 3.074 ( 0.000 -2.258 0.000) 2.258 3.082 ( 0.000 -7.502 0.000) 7.502 3.183 ( 0.000 -0.926 0.000) 0.926 3.288 ( 0.000 0.873 0.000) 0.873 3.402 ( 0.000 1.430 0.000) 1.430 3.429 ( 0.000 -0.623 0.000) 0.623 3.562 ( 0.000 4.381 0.000) 4.381 3.569 ( 0.000 2.446 0.000) 2.446 3.632 ( 0.000 7.993 0.000) 7.993 3.734 ( 0.000 -0.539 0.000) 0.539 3.758 ( 0.000 0.173 0.000) 0.173 3.820 ( 0.000 1.702 0.000) 1.702 3.914 ( 0.000 -1.459 0.000) 1.459 3.925 ( 0.000 -3.052 0.000) 3.052 4.071 ( 0.000 3.566 0.000) 3.566 4.142 ( 0.000 -3.314 0.000) 3.314 4.847 ( 0.000 -3.176 0.000) 3.176 4.869 ( 0.000 -4.530 0.000) 4.530 5.012 ( 0.000 -0.321 0.000) 0.321 5.013 ( 0.000 -1.807 0.000) 1.807 5.275 ( 0.000 2.251 0.000) 2.251 5.296 ( 0.000 0.505 0.000) 0.505 5.338 ( 0.000 2.399 0.000) 2.399 5.386 ( 0.000 -1.069 0.000) 1.069 5.561 ( 0.000 8.323 0.000) 8.323 5.807 ( 0.000 -2.650 0.000) 2.650 5.951 ( 0.000 0.929 0.000) 0.929 6.091 ( 0.000 -5.057 0.000) 5.057 6.920 ( 0.000 -0.661 0.000) 0.661 6.922 ( 0.000 -0.366 0.000) 0.366 7.006 ( 0.000 3.075 0.000) 3.075 7.106 ( 0.000 -0.697 0.000) 0.697 8.042 ( 0.000 2.331 0.000) 2.331 8.155 ( 0.000 -1.848 0.000) 1.848 8.157 ( 0.000 0.743 0.000) 0.743 8.277 ( 0.000 -3.660 0.000) 3.660 8.957 ( 0.000 9.257 0.000) 9.257 9.357 ( 0.000 -4.894 0.000) 4.894 9.445 ( 0.000 2.435 0.000) 2.435 9.594 ( 0.000 -2.435 0.000) 2.435 10.613 ( 0.000 -1.060 0.000) 1.060 10.659 ( 0.000 -1.508 0.000) 1.508 10.894 ( 0.000 7.101 0.000) 7.101 10.975 ( 0.000 1.674 0.000) 1.674 11.019 ( 0.000 -1.293 0.000) 1.293 11.324 ( 0.000 -9.528 0.000) 9.528 11.359 ( 0.000 2.210 0.000) 2.210 11.483 ( 0.000 -2.074 0.000) 2.074 11.711 ( 0.000 0.258 0.000) 0.258 11.733 ( 0.000 -0.658 0.000) 0.658 11.891 ( 0.000 1.981 0.000) 1.981 11.982 ( 0.000 -1.494 0.000) 1.494 13.660 ( 0.000 17.333 0.000) 17.333 14.457 ( 0.000 -12.050 0.000) 12.050 14.613 ( 0.000 0.073 0.000) 0.073 14.618 ( 0.000 -0.111 0.000) 0.111 14.662 ( 0.000 0.263 0.000) 0.263 14.691 ( 0.000 -1.528 0.000) 1.528 15.726 ( 0.000 0.372 0.000) 0.372 15.741 ( 0.000 -0.129 0.000) 0.129 22.271 ( 0.000 0.795 0.000) 0.795 22.334 ( 0.000 -1.983 0.000) 1.983 22.447 ( 0.000 2.081 0.000) 2.081 22.505 ( 0.000 -0.470 0.000) 0.470 22.830 ( 0.000 0.812 0.000) 0.812 22.876 ( 0.000 -0.811 0.000) 0.811 23.241 ( 0.000 1.432 0.000) 1.432 23.320 ( 0.000 -1.440 0.000) 1.440 23.677 ( 0.000 2.639 0.000) 2.639 23.904 ( 0.000 -7.134 0.000) 7.134 24.455 ( 0.000 8.632 0.000) 8.632 24.692 ( 0.000 -1.462 0.000) 1.462 25.010 ( 0.000 -0.136 0.000) 0.136 25.098 ( 0.000 -3.250 0.000) 3.250 25.285 ( 0.000 1.860 0.000) 1.860 25.389 ( 0.000 -2.153 0.000) 2.153 ======================= Grid point 12 (8/84) ======================= q-point: ( 0.09 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 12.266 15.480 -2.576) 19.918 0.669 ( 14.034 16.905 -7.339) 23.165 1.014 ( 25.984 19.574 2.545) 32.631 1.168 ( 7.376 -8.768 -7.545) 13.719 1.340 ( 6.286 -10.471 -0.262) 12.216 1.524 ( 4.185 1.191 -3.446) 5.551 1.711 ( 2.077 -5.521 -2.615) 6.453 1.852 ( -0.773 1.455 7.472) 7.652 1.965 ( 3.778 -0.260 -0.611) 3.836 2.020 ( 1.938 -5.490 4.360) 7.274 2.100 ( 2.063 2.745 -5.423) 6.418 2.218 ( 0.482 -0.213 4.023) 4.058 2.349 ( 5.200 7.421 -5.434) 10.566 2.416 ( 3.510 -2.990 -0.037) 4.611 2.507 ( 4.573 -2.176 3.593) 6.209 2.612 ( 6.890 -0.933 -0.902) 7.011 2.700 ( 0.896 3.234 4.177) 5.358 2.783 ( 1.323 2.479 -2.499) 3.761 2.816 ( -2.299 -3.366 0.957) 4.187 2.943 ( 0.657 -1.881 4.065) 4.527 3.015 ( -3.299 -2.129 2.389) 4.597 3.054 ( -5.698 2.881 4.200) 7.642 3.122 ( -1.147 -5.503 7.963) 9.748 3.350 ( 1.392 -3.252 -4.406) 5.650 3.375 ( -0.202 0.579 -1.087) 1.248 3.428 ( -0.209 -0.203 0.175) 0.340 3.496 ( 0.233 0.721 0.774) 1.083 3.577 ( -2.402 7.957 2.445) 8.664 3.668 ( -0.912 0.369 -0.511) 1.109 3.729 ( 0.572 2.634 -0.496) 2.741 3.768 ( 2.651 -0.465 -10.724) 11.057 3.883 ( 2.880 -0.339 -3.839) 4.811 3.898 ( 0.483 -0.276 -1.192) 1.316 3.988 ( 4.000 -4.490 0.022) 6.013 4.066 ( 0.567 4.710 -0.998) 4.848 4.165 ( 1.713 -3.530 -0.733) 3.992 4.819 ( -0.536 -3.034 0.994) 3.237 4.907 ( 0.590 -7.002 -0.575) 7.050 4.958 ( -1.145 2.187 1.484) 2.880 5.063 ( 2.147 -1.139 0.488) 2.479 5.218 ( -3.602 3.987 -3.468) 6.395 5.266 ( -2.509 1.817 -2.118) 3.752 5.312 ( 0.274 1.669 3.580) 3.960 5.448 ( 0.662 -4.713 1.512) 4.994 5.566 ( 0.799 7.750 0.602) 7.815 5.796 ( -1.534 -2.827 3.453) 4.719 5.885 ( -5.442 1.687 0.570) 5.726 6.037 ( -4.436 -4.614 -4.659) 7.917 6.899 ( -0.783 0.722 -1.182) 1.591 6.938 ( 0.744 -1.045 0.634) 1.431 7.025 ( 1.142 2.343 0.731) 2.707 7.131 ( 2.364 -1.241 1.528) 3.076 8.049 ( 0.719 2.270 0.359) 2.408 8.162 ( 0.869 0.844 -0.124) 1.218 8.169 ( 1.110 -2.145 -2.702) 3.624 8.285 ( 0.940 -3.537 0.414) 3.683 8.931 ( -2.268 8.983 -0.528) 9.280 9.175 ( -13.802 14.290 0.375) 19.870 9.367 ( -3.126 -4.112 -2.453) 5.718 9.515 ( -4.467 -2.578 -2.165) 5.593 10.604 ( -1.527 0.253 1.491) 2.149 10.647 ( -1.530 0.587 -0.888) 1.864 10.863 ( -1.474 3.383 -0.302) 3.703 10.907 ( -0.787 1.979 0.005) 2.130 11.088 ( 2.036 -2.072 0.592) 2.965 11.311 ( -0.958 -7.845 -0.283) 7.908 11.359 ( -0.853 1.402 3.532) 3.895 11.453 ( -1.790 -1.500 -0.202) 2.344 11.733 ( 1.941 0.161 1.482) 2.447 11.754 ( 2.147 -0.618 -0.036) 2.234 11.923 ( 3.423 2.140 -0.432) 4.060 12.024 ( 3.958 -1.586 -0.030) 4.264 13.673 ( 1.474 16.359 -0.423) 16.430 14.235 ( -17.925 23.711 -1.160) 29.746 14.423 ( -2.972 -9.558 1.738) 10.159 14.665 ( 0.211 -3.020 -0.964) 3.177 14.801 ( 13.346 -1.747 -0.179) 13.461 14.840 ( 14.731 -2.867 0.123) 15.008 15.271 ( 6.753 24.060 -8.175) 26.293 16.499 ( 14.596 -33.238 17.762) 40.414 22.204 ( 1.243 4.320 0.724) 4.554 22.395 ( 1.824 -4.033 3.759) 5.807 22.530 ( 2.698 0.933 6.366) 6.977 22.600 ( 4.367 -2.884 22.145) 22.755 22.852 ( 2.245 1.483 -3.169) 4.157 23.023 ( 9.713 -8.800 -13.210) 18.609 23.264 ( 2.361 1.606 -2.011) 3.492 23.344 ( 2.266 -0.743 -2.062) 3.153 23.759 ( 6.694 -3.123 -5.135) 8.996 23.915 ( 1.276 -6.582 0.006) 6.704 24.426 ( -2.685 8.146 2.722) 8.999 24.650 ( -4.031 -1.568 -1.082) 4.458 24.902 ( -9.562 3.481 -0.891) 10.214 25.053 ( -4.329 -3.712 -0.081) 5.703 25.112 ( -9.971 10.087 -0.752) 14.203 25.308 ( -7.731 -1.875 0.585) 7.977 ======================= Grid point 13 (9/84) ======================= q-point: ( 0.18 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 15.317 11.534 -0.101) 19.174 0.966 ( 16.817 12.628 -6.542) 22.025 1.322 ( 9.073 -5.484 -8.129) 13.359 1.507 ( 10.842 -6.284 -6.254) 14.006 1.594 ( 19.460 3.555 3.307) 20.057 1.648 ( 11.541 -0.993 -8.439) 14.332 1.760 ( 4.861 -3.665 -2.477) 6.573 1.895 ( 4.941 0.177 6.814) 8.419 2.040 ( 4.253 1.774 0.828) 4.682 2.101 ( 4.536 0.130 4.361) 6.294 2.157 ( 3.837 1.875 -4.458) 6.173 2.239 ( 1.394 1.833 1.356) 2.672 2.406 ( 0.177 3.760 -2.824) 4.706 2.487 ( 3.974 -1.014 -0.277) 4.111 2.626 ( 4.958 -1.844 2.625) 5.905 2.676 ( -0.437 -2.480 3.940) 4.676 2.751 ( 1.812 1.379 3.339) 4.042 2.792 ( 0.373 -3.408 -1.325) 3.676 2.850 ( 1.075 -3.228 -1.179) 3.601 2.917 ( -0.693 -1.943 5.266) 5.656 2.978 ( -1.498 1.177 2.529) 3.166 3.006 ( 1.506 4.587 5.999) 7.700 3.130 ( 3.426 -4.368 5.581) 7.872 3.312 ( -1.966 -2.473 -2.430) 3.986 3.384 ( -1.821 -0.947 2.873) 3.531 3.425 ( -2.840 -0.094 0.882) 2.976 3.508 ( 2.846 4.132 -3.705) 6.236 3.560 ( 1.793 0.356 -2.746) 3.298 3.632 ( -1.983 -0.269 -0.395) 2.039 3.766 ( -0.657 -1.453 1.075) 1.923 3.782 ( 2.208 1.214 -2.781) 3.752 3.863 ( -1.236 -0.526 -1.094) 1.732 4.000 ( 5.488 2.189 -2.525) 6.426 4.030 ( 1.239 1.196 -1.117) 2.053 4.129 ( 4.621 0.876 -5.425) 7.179 4.212 ( 3.453 -2.369 0.365) 4.203 4.821 ( -0.458 -1.330 1.411) 1.992 4.880 ( -0.705 -3.198 -0.651) 3.339 4.992 ( 2.393 -0.577 0.678) 2.553 5.075 ( -1.866 2.862 -1.621) 3.782 5.167 ( -1.217 1.195 0.308) 1.734 5.230 ( -0.207 -4.032 -1.968) 4.492 5.306 ( -1.174 0.011 1.099) 1.608 5.418 ( -2.926 -4.775 2.414) 6.099 5.590 ( 1.112 5.877 0.318) 5.990 5.722 ( -4.171 0.688 1.678) 4.548 5.821 ( -0.983 1.278 2.387) 2.881 5.928 ( -5.553 -2.322 -5.600) 8.221 6.889 ( -0.161 1.662 -0.974) 1.933 6.956 ( 1.028 -1.081 0.031) 1.492 7.045 ( 0.918 2.967 1.064) 3.283 7.194 ( 3.576 -2.510 2.432) 5.001 8.069 ( 1.174 2.064 0.331) 2.398 8.187 ( 1.581 0.739 -2.366) 2.940 8.197 ( 1.783 -2.251 -1.543) 3.260 8.316 ( 2.024 -3.257 0.858) 3.929 8.883 ( -2.199 8.888 -0.299) 9.161 8.986 ( -5.638 11.252 0.411) 12.592 9.300 ( -3.320 -5.644 -1.861) 6.808 9.409 ( -5.966 -5.222 -0.815) 7.971 10.562 ( -2.466 3.588 2.106) 4.837 10.606 ( -1.871 4.196 -1.549) 4.848 10.853 ( -0.579 -1.426 3.236) 3.584 10.921 ( 2.120 -2.602 -4.059) 5.267 11.121 ( 1.689 -1.157 -1.031) 2.293 11.290 ( -1.177 -6.801 0.873) 6.957 11.337 ( -1.058 2.634 4.371) 5.211 11.426 ( -0.974 -1.103 -0.282) 1.498 11.785 ( 3.038 0.138 -0.094) 3.042 11.815 ( 3.769 -1.117 -0.831) 4.018 12.022 ( 6.022 2.250 0.165) 6.431 12.128 ( 6.028 -1.604 0.621) 6.268 13.716 ( 2.578 13.590 0.069) 13.832 14.041 ( -4.121 19.759 -0.608) 20.193 14.364 ( -2.859 -8.706 1.435) 9.275 14.648 ( -1.898 -5.977 -0.212) 6.274 15.154 ( 20.718 -1.242 -0.040) 20.755 15.219 ( 21.741 -2.576 0.610) 21.901 15.580 ( 20.301 17.556 -2.814) 26.986 16.618 ( 1.381 -22.418 6.996) 23.525 22.281 ( 5.278 2.948 2.972) 6.737 22.447 ( 3.046 -3.766 2.764) 5.577 22.584 ( 2.287 2.164 4.977) 5.889 22.662 ( 1.655 -1.296 10.719) 10.923 22.902 ( 2.650 2.544 -3.890) 5.351 23.139 ( 2.818 -7.645 -3.613) 8.912 23.328 ( 3.765 2.007 -3.284) 5.384 23.400 ( 3.327 0.380 -2.908) 4.435 23.880 ( 5.134 -3.994 -4.429) 7.869 23.965 ( 3.700 -6.699 -0.179) 7.655 24.365 ( -3.230 6.145 3.979) 8.001 24.535 ( -7.007 -1.545 -0.361) 7.184 24.713 ( -8.185 5.944 -1.540) 10.232 24.926 ( -9.080 4.998 1.935) 10.544 24.937 ( -7.107 -2.567 -2.357) 7.916 25.105 ( -11.708 -1.004 0.844) 11.782 ======================= Grid point 14 (10/84) ======================= q-point: ( 0.27 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 15.951 7.349 1.482) 17.625 1.315 ( 17.558 7.770 -5.649) 20.014 1.515 ( 10.326 -2.871 -5.962) 12.265 1.700 ( 8.848 -5.898 -8.946) 13.896 1.748 ( 5.443 -1.399 -5.686) 7.994 1.798 ( 4.786 0.661 -0.981) 4.930 1.950 ( 5.487 -1.250 2.726) 6.253 2.073 ( 7.037 -3.103 0.502) 7.707 2.169 ( 1.967 4.654 1.716) 5.336 2.209 ( 1.341 4.655 4.351) 6.511 2.242 ( 11.271 2.237 -1.389) 11.574 2.288 ( 6.243 1.868 -1.235) 6.632 2.386 ( -0.071 1.208 -3.078) 3.307 2.560 ( 2.493 -0.189 1.576) 2.956 2.597 ( -3.892 -1.809 4.795) 6.435 2.715 ( -2.089 -0.988 0.296) 2.330 2.748 ( -2.735 -5.330 0.209) 5.994 2.773 ( -0.455 -2.858 1.615) 3.314 2.823 ( 4.185 -0.323 0.637) 4.246 2.930 ( -2.429 0.739 6.040) 6.552 2.995 ( 1.786 -4.289 3.875) 6.050 3.054 ( 2.835 2.298 0.406) 3.672 3.242 ( 1.828 -5.160 0.111) 5.475 3.287 ( 0.319 -0.883 1.613) 1.866 3.340 ( -2.430 3.196 -0.167) 4.018 3.377 ( 2.865 0.630 4.080) 5.025 3.545 ( -1.738 4.689 -2.146) 5.442 3.606 ( 2.284 -2.317 0.287) 3.266 3.636 ( 3.735 -1.103 -1.799) 4.290 3.725 ( -1.967 -2.093 -0.895) 3.008 3.819 ( -1.460 1.226 -0.662) 2.018 3.849 ( 1.524 -0.935 2.183) 2.821 4.033 ( 0.601 6.977 -0.131) 7.004 4.124 ( 5.396 0.180 -3.708) 6.550 4.195 ( 2.317 -0.964 -4.639) 5.274 4.301 ( 4.462 -2.176 0.223) 4.969 4.785 ( -2.508 1.479 -0.607) 2.974 4.883 ( -0.571 1.698 -0.319) 1.819 5.003 ( -3.690 4.101 -1.541) 5.728 5.031 ( 1.633 -2.394 0.219) 2.906 5.159 ( 0.085 -3.751 1.291) 3.968 5.247 ( 1.073 -5.968 0.486) 6.083 5.273 ( -1.586 -4.980 -2.263) 5.695 5.370 ( -1.354 -5.752 3.212) 6.726 5.599 ( 0.344 4.700 -0.087) 4.714 5.702 ( 1.113 3.351 -1.860) 3.991 5.808 ( -1.874 2.633 2.168) 3.891 5.841 ( -0.775 2.722 -2.440) 3.737 6.893 ( 0.689 2.366 -0.736) 2.572 6.976 ( 0.808 -0.935 -0.218) 1.255 7.067 ( 1.281 3.320 1.301) 3.789 7.272 ( 3.877 -3.923 2.545) 6.074 8.093 ( 1.172 1.727 0.037) 2.088 8.219 ( 1.673 -0.592 -3.439) 3.870 8.232 ( 1.598 -0.854 -0.535) 1.889 8.360 ( 2.024 -3.038 1.106) 3.815 8.842 ( -1.848 8.754 0.654) 8.971 8.921 ( -1.387 6.009 -0.187) 6.170 9.239 ( -2.646 -5.440 -1.581) 6.252 9.285 ( -5.938 -6.027 -0.081) 8.461 10.517 ( -1.949 5.237 1.908) 5.905 10.581 ( -0.494 6.493 -1.679) 6.725 10.840 ( -0.895 -4.107 4.052) 5.838 10.968 ( 2.518 -5.574 -5.303) 8.095 11.159 ( 2.134 -0.849 -1.490) 2.738 11.266 ( -1.101 -5.091 1.019) 5.307 11.327 ( -0.440 2.777 3.781) 4.712 11.410 ( -0.685 -0.386 0.291) 0.838 11.849 ( 3.140 0.225 -1.079) 3.328 11.895 ( 4.049 -1.810 -1.256) 4.610 12.151 ( 6.402 2.327 0.783) 6.856 12.253 ( 5.988 -1.454 1.194) 6.277 13.771 ( 2.764 11.199 0.620) 11.552 14.001 ( -0.566 15.046 -0.606) 15.069 14.320 ( -1.463 -7.901 1.309) 8.141 14.595 ( -3.053 -7.356 -0.080) 7.965 15.586 ( 21.160 0.267 -0.325) 21.164 15.668 ( 21.758 -1.833 1.387) 21.879 15.991 ( 19.347 10.696 -2.131) 22.209 16.652 ( 2.191 -13.566 2.398) 13.950 22.397 ( 5.601 1.939 3.783) 7.031 22.513 ( 3.137 -2.829 1.872) 4.621 22.629 ( 1.894 2.183 2.685) 3.945 22.694 ( 1.086 -0.727 4.447) 4.635 22.948 ( 2.113 2.706 -2.831) 4.450 23.158 ( -0.169 -5.434 -1.366) 5.606 23.385 ( 1.648 2.447 -3.153) 4.318 23.461 ( 2.368 -0.136 -3.222) 4.001 23.967 ( 4.027 -1.441 -1.769) 4.628 24.048 ( 4.205 -6.347 -1.435) 7.747 24.317 ( -1.586 3.010 2.840) 4.432 24.389 ( -6.890 -0.670 3.124) 7.595 24.572 ( -5.908 4.494 -1.790) 7.635 24.742 ( -8.789 3.696 1.333) 9.627 24.782 ( -8.065 -3.133 -2.106) 8.905 24.875 ( -10.357 -0.134 0.704) 10.382 ======================= Grid point 15 (11/84) ======================= q-point: ( 0.36 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 12.711 3.629 2.450) 13.445 1.630 ( 13.160 2.744 -2.946) 13.762 1.720 ( 10.267 2.115 -3.846) 11.166 1.819 ( 4.209 -0.943 -6.445) 7.755 1.863 ( 4.932 -0.235 -2.134) 5.379 1.903 ( 6.058 3.841 -7.175) 10.145 2.027 ( 2.369 -2.293 1.756) 3.735 2.149 ( -1.672 2.496 0.800) 3.109 2.161 ( -1.981 -0.273 7.643) 7.900 2.238 ( 2.385 4.351 5.185) 7.176 2.287 ( 2.106 3.728 -9.396) 10.325 2.395 ( 2.601 -1.822 0.153) 3.180 2.449 ( 0.737 -4.495 2.714) 5.303 2.549 ( 0.303 -1.714 -0.023) 1.741 2.582 ( -3.179 -2.572 5.310) 6.702 2.672 ( -4.468 -4.381 -4.409) 7.654 2.697 ( 3.908 0.731 -4.598) 6.079 2.749 ( -2.766 -2.524 -2.301) 4.395 2.862 ( -3.660 2.301 8.329) 9.384 2.985 ( 9.209 1.827 3.594) 10.053 3.062 ( 2.805 -4.862 2.572) 6.174 3.073 ( -0.089 -0.769 0.901) 1.188 3.174 ( -3.290 -4.470 2.363) 6.033 3.305 ( 0.460 -5.121 -2.114) 5.559 3.339 ( 0.458 5.148 -0.040) 5.168 3.489 ( -0.096 -0.705 -0.203) 0.740 3.501 ( 3.602 4.974 2.145) 6.505 3.644 ( 1.320 -0.400 3.242) 3.523 3.666 ( -1.726 -2.089 -0.860) 2.843 3.725 ( 1.652 -0.206 -0.655) 1.790 3.784 ( -0.678 2.372 -1.828) 3.071 3.876 ( 0.661 -0.587 1.627) 1.851 4.053 ( 1.825 6.281 -0.818) 6.592 4.207 ( 2.511 1.095 -1.476) 3.112 4.220 ( 0.639 -0.691 -1.240) 1.557 4.368 ( 2.114 -3.516 -1.985) 4.557 4.734 ( -2.154 3.664 -1.308) 4.447 4.820 ( -4.582 4.926 0.241) 6.732 4.978 ( 1.049 -0.829 -1.724) 2.182 5.065 ( 1.251 -1.862 0.659) 2.338 5.165 ( 0.532 -6.552 -0.147) 6.575 5.228 ( -1.839 -7.600 -0.513) 7.836 5.281 ( 1.341 -5.799 1.814) 6.222 5.366 ( 0.331 -6.742 0.524) 6.770 5.617 ( 1.100 6.040 -0.150) 6.141 5.713 ( 0.023 3.285 -2.092) 3.894 5.773 ( -0.656 7.248 -0.594) 7.301 5.882 ( 3.172 4.343 1.076) 5.484 6.915 ( 1.417 2.224 -0.393) 2.666 6.984 ( -0.066 -0.451 -0.250) 0.520 7.097 ( 1.484 3.232 1.077) 3.716 7.348 ( 3.298 -5.348 1.963) 6.583 8.114 ( 0.803 1.385 -0.142) 1.608 8.245 ( 1.034 -2.557 -3.362) 4.349 8.258 ( 1.007 1.257 0.242) 1.628 8.392 ( 1.039 -2.855 0.919) 3.174 8.814 ( -0.967 7.352 0.809) 7.459 8.914 ( 0.470 4.460 -0.274) 4.493 9.167 ( -4.549 -5.054 0.651) 6.831 9.208 ( -1.441 -5.150 -1.586) 5.578 10.488 ( -1.033 5.668 1.292) 5.904 10.579 ( 0.186 7.637 -1.319) 7.752 10.826 ( -0.692 -5.506 3.024) 6.319 11.009 ( 1.804 -7.980 -3.771) 9.009 11.200 ( 1.900 -0.920 -1.021) 2.344 11.251 ( -0.344 -2.340 -0.704) 2.468 11.318 ( -0.771 2.085 3.175) 3.876 11.399 ( -0.457 0.150 0.776) 0.913 11.904 ( 2.293 0.375 -1.085) 2.564 11.967 ( 2.973 -2.343 -1.046) 3.927 12.266 ( 4.762 2.232 0.866) 5.330 12.359 ( 4.311 -1.282 1.154) 4.643 13.823 ( 2.236 9.875 0.683) 10.148 14.001 ( 0.305 12.476 -0.622) 12.495 14.306 ( -0.081 -7.486 1.012) 7.554 14.536 ( -2.541 -7.475 -0.268) 7.900 15.962 ( 15.442 1.336 -0.308) 15.503 16.055 ( 15.837 -1.779 1.313) 15.991 16.321 ( 13.061 5.925 -1.582) 14.429 16.706 ( 2.680 -7.975 0.752) 8.446 22.496 ( 3.754 1.086 3.685) 5.372 22.571 ( 2.451 -1.946 0.718) 3.211 22.666 ( 1.749 1.778 1.161) 2.751 22.712 ( 0.524 -0.238 1.371) 1.487 22.984 ( 1.595 2.451 -1.579) 3.323 23.148 ( -0.381 -3.355 -0.722) 3.453 23.393 ( -0.323 1.488 -2.394) 2.837 23.467 ( -1.820 -1.017 -2.772) 3.468 24.036 ( 2.663 -0.065 -0.315) 2.682 24.124 ( 3.376 -4.879 -2.353) 6.383 24.267 ( -3.502 1.298 1.255) 3.940 24.326 ( 0.404 -0.379 6.024) 6.050 24.470 ( -4.118 2.715 -1.524) 5.163 24.591 ( -6.404 0.676 1.324) 6.574 24.625 ( -6.335 0.778 -2.550) 6.874 24.710 ( -6.117 -0.502 0.128) 6.139 ======================= Grid point 16 (12/84) ======================= q-point: ( 0.45 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.675 ( 4.818 2.348 1.298) 5.514 1.821 ( 5.387 -1.370 -1.512) 5.760 1.863 ( 2.517 3.189 -1.256) 4.253 1.890 ( 3.409 3.565 -1.458) 5.144 1.941 ( 2.255 3.023 -1.524) 4.068 2.000 ( 4.552 5.956 -1.659) 7.678 2.059 ( 0.504 2.238 0.343) 2.320 2.084 ( -2.415 -0.952 -0.922) 2.755 2.107 ( -3.192 0.351 2.581) 4.120 2.277 ( -0.076 1.666 1.402) 2.179 2.322 ( 1.621 3.023 -1.544) 3.762 2.415 ( -0.455 -1.842 -1.213) 2.252 2.494 ( 3.604 -5.188 5.891) 8.637 2.534 ( -0.486 -4.068 -4.095) 5.792 2.577 ( -0.434 -6.553 0.477) 6.584 2.588 ( -0.868 -0.785 1.110) 1.612 2.652 ( -4.862 -0.020 -2.916) 5.670 2.778 ( 2.682 0.536 -3.524) 4.461 2.824 ( -1.059 0.965 3.573) 3.849 3.022 ( -2.947 -7.812 4.290) 9.387 3.037 ( -0.823 0.345 0.386) 0.972 3.123 ( 1.355 -2.230 0.542) 2.665 3.233 ( 5.207 -1.032 0.207) 5.312 3.297 ( -0.955 -1.264 -0.603) 1.695 3.352 ( 0.773 2.992 -0.503) 3.131 3.445 ( -1.691 -0.486 -0.193) 1.770 3.590 ( 2.461 1.205 1.025) 2.925 3.631 ( -0.660 -1.418 -1.255) 2.006 3.649 ( -1.034 1.015 2.170) 2.609 3.736 ( 0.083 2.994 0.593) 3.053 3.792 ( 0.668 -0.131 -1.201) 1.380 3.882 ( 0.007 2.400 0.332) 2.423 4.112 ( 3.836 2.679 -0.389) 4.695 4.186 ( -2.966 0.407 0.181) 2.999 4.251 ( 0.979 1.294 -0.210) 1.636 4.389 ( 0.330 -3.418 -1.333) 3.683 4.712 ( 0.202 4.895 -0.639) 4.940 4.745 ( -2.552 4.641 0.058) 5.297 5.004 ( 1.063 -6.451 -0.676) 6.573 5.071 ( -0.499 -1.615 0.646) 1.809 5.181 ( 1.203 -6.490 -1.593) 6.790 5.204 ( -0.921 -6.860 1.137) 7.014 5.300 ( 0.458 -4.469 0.818) 4.566 5.372 ( 0.142 -7.507 -0.064) 7.509 5.629 ( 0.171 7.616 -0.170) 7.620 5.717 ( 0.381 3.652 -0.138) 3.675 5.769 ( 0.023 9.318 -0.714) 9.346 5.935 ( 1.553 4.341 0.382) 4.626 6.945 ( 1.472 1.325 -0.081) 1.982 6.973 ( -0.918 0.324 -0.134) 0.983 7.121 ( 0.686 3.113 0.409) 3.214 7.398 ( 1.354 -6.329 0.751) 6.516 8.125 ( 0.283 1.145 -0.080) 1.182 8.255 ( 0.193 -3.336 -1.194) 3.549 8.273 ( 0.427 2.199 -0.033) 2.240 8.405 ( 0.245 -2.735 0.359) 2.770 8.803 ( -0.251 6.501 0.330) 6.514 8.929 ( 0.670 4.366 -0.098) 4.418 9.096 ( -2.068 -4.441 0.342) 4.911 9.192 ( -0.311 -4.850 -0.635) 4.901 10.476 ( -0.302 5.658 0.459) 5.684 10.582 ( 0.140 8.065 -0.510) 8.082 10.817 ( -0.246 -6.081 1.121) 6.188 11.033 ( 0.697 -9.953 -1.300) 10.062 11.222 ( 0.224 -0.099 0.343) 0.421 11.259 ( 1.089 -1.312 -2.429) 2.968 11.300 ( -1.034 2.125 2.362) 3.341 11.393 ( -0.164 0.298 0.418) 0.539 11.935 ( 0.832 0.486 -0.436) 1.057 12.008 ( 1.071 -2.600 -0.399) 2.840 12.334 ( 1.750 2.114 0.372) 2.770 12.420 ( 1.564 -1.181 0.475) 2.017 13.856 ( 0.879 9.356 0.286) 9.401 14.006 ( 0.197 11.294 -0.281) 11.299 14.310 ( 0.186 -7.349 0.396) 7.362 14.500 ( -0.962 -7.231 -0.160) 7.297 16.179 ( 5.672 1.583 -0.111) 5.890 16.278 ( 5.780 -2.040 0.522) 6.151 16.499 ( 4.557 3.865 -0.601) 6.006 16.746 ( 1.121 -5.182 0.174) 5.304 22.546 ( 1.082 0.652 1.489) 1.952 22.608 ( 1.009 -1.653 0.237) 1.951 22.699 ( 1.302 1.223 0.596) 1.883 22.715 ( -0.282 0.475 -0.057) 0.555 23.007 ( 0.647 2.373 -0.475) 2.505 23.150 ( 0.493 -2.432 -0.256) 2.494 23.382 ( -0.395 0.029 -0.918) 1.000 23.410 ( -2.452 -0.769 -1.138) 2.811 24.070 ( 0.782 0.744 0.096) 1.083 24.175 ( 1.681 -3.927 -2.176) 4.794 24.222 ( -1.282 1.867 2.232) 3.180 24.352 ( 1.255 -2.659 2.650) 3.958 24.413 ( -1.195 1.958 -0.759) 2.417 24.483 ( -3.705 -0.696 -0.288) 3.781 24.551 ( -1.412 3.145 -0.715) 3.521 24.625 ( -2.243 -0.396 -0.105) 2.281 ======================= Grid point 22 (13/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( 0.000 -16.631 0.000) 16.631 0.773 ( 0.000 16.631 0.000) 16.631 0.906 ( 0.000 -19.114 0.000) 19.114 0.906 ( 0.000 19.114 0.000) 19.114 1.444 ( 0.000 -27.247 0.000) 27.247 1.444 ( 0.000 27.247 0.000) 27.247 1.599 ( 0.000 -6.178 0.000) 6.178 1.599 ( 0.000 6.178 0.000) 6.178 1.992 ( 0.000 -2.669 0.000) 2.669 1.992 ( 0.000 2.669 0.000) 2.669 2.138 ( 0.000 -3.845 0.000) 3.845 2.138 ( 0.000 3.845 0.000) 3.845 2.342 ( 0.000 -1.768 0.000) 1.768 2.342 ( 0.000 1.768 0.000) 1.768 2.532 ( 0.000 -8.355 0.000) 8.355 2.532 ( 0.000 8.355 0.000) 8.355 2.697 ( 0.000 -7.750 0.000) 7.750 2.697 ( 0.000 7.750 0.000) 7.750 2.885 ( 0.000 -0.068 0.000) 0.068 2.885 ( 0.000 0.068 0.000) 0.068 3.025 ( 0.000 -1.471 0.000) 1.471 3.025 ( 0.000 1.471 0.000) 1.471 3.217 ( 0.000 -4.830 0.000) 4.830 3.217 ( 0.000 4.830 0.000) 4.830 3.426 ( 0.000 -0.532 0.000) 0.532 3.426 ( 0.000 0.532 0.000) 0.532 3.622 ( 0.000 -2.306 0.000) 2.306 3.622 ( 0.000 2.306 0.000) 2.306 3.718 ( 0.000 -6.509 0.000) 6.509 3.718 ( 0.000 6.509 0.000) 6.509 3.819 ( 0.000 -5.095 0.000) 5.095 3.819 ( 0.000 5.095 0.000) 5.095 3.879 ( 0.000 -3.239 0.000) 3.239 3.879 ( 0.000 3.239 0.000) 3.239 4.108 ( 0.000 -0.069 0.000) 0.069 4.108 ( 0.000 0.069 0.000) 0.069 4.805 ( 0.000 -0.460 0.000) 0.460 4.805 ( 0.000 0.460 0.000) 0.460 4.996 ( 0.000 -0.274 0.000) 0.274 4.996 ( 0.000 0.274 0.000) 0.274 5.316 ( 0.000 -0.889 0.000) 0.889 5.316 ( 0.000 0.889 0.000) 0.889 5.370 ( 0.000 -0.258 0.000) 0.258 5.370 ( 0.000 0.258 0.000) 0.258 5.714 ( 0.000 -5.917 0.000) 5.917 5.714 ( 0.000 5.917 0.000) 5.917 5.992 ( 0.000 -3.324 0.000) 3.324 5.992 ( 0.000 3.324 0.000) 3.324 6.916 ( 0.000 -0.165 0.000) 0.165 6.916 ( 0.000 0.165 0.000) 0.165 7.070 ( 0.000 -2.619 0.000) 2.619 7.070 ( 0.000 2.619 0.000) 2.619 8.103 ( 0.000 -2.947 0.000) 2.947 8.103 ( 0.000 2.947 0.000) 2.947 8.196 ( 0.000 -3.095 0.000) 3.095 8.196 ( 0.000 3.095 0.000) 3.095 9.183 ( 0.000 -10.417 0.000) 10.417 9.183 ( 0.000 10.417 0.000) 10.417 9.523 ( 0.000 -3.941 0.000) 3.941 9.523 ( 0.000 3.941 0.000) 3.941 10.622 ( 0.000 -1.545 0.000) 1.545 10.622 ( 0.000 1.545 0.000) 1.545 10.985 ( 0.000 -1.874 0.000) 1.874 10.985 ( 0.000 1.874 0.000) 1.874 11.106 ( 0.000 -9.768 0.000) 9.768 11.106 ( 0.000 9.768 0.000) 9.768 11.421 ( 0.000 -3.273 0.000) 3.273 11.421 ( 0.000 3.273 0.000) 3.273 11.720 ( 0.000 -0.525 0.000) 0.525 11.720 ( 0.000 0.525 0.000) 0.525 11.940 ( 0.000 -2.318 0.000) 2.318 11.940 ( 0.000 2.318 0.000) 2.318 14.090 ( 0.000 -20.590 0.000) 20.590 14.090 ( 0.000 20.590 0.000) 20.590 14.615 ( 0.000 -0.143 0.000) 0.143 14.615 ( 0.000 0.143 0.000) 0.143 14.671 ( 0.000 -0.566 0.000) 0.566 14.671 ( 0.000 0.566 0.000) 0.566 15.735 ( 0.000 -0.386 0.000) 0.386 15.735 ( 0.000 0.386 0.000) 0.386 22.296 ( 0.000 -1.519 0.000) 1.519 22.296 ( 0.000 1.519 0.000) 1.519 22.485 ( 0.000 -1.415 0.000) 1.415 22.485 ( 0.000 1.415 0.000) 1.415 22.853 ( 0.000 -1.252 0.000) 1.252 22.853 ( 0.000 1.252 0.000) 1.252 23.281 ( 0.000 -2.065 0.000) 2.065 23.281 ( 0.000 2.065 0.000) 2.065 23.764 ( 0.000 -5.494 0.000) 5.494 23.764 ( 0.000 5.494 0.000) 5.494 24.619 ( 0.000 -5.759 0.000) 5.759 24.619 ( 0.000 5.759 0.000) 5.759 25.029 ( 0.000 -2.330 0.000) 2.330 25.029 ( 0.000 2.330 0.000) 2.330 25.335 ( 0.000 -2.653 0.000) 2.653 25.335 ( 0.000 2.653 0.000) 2.653 ======================= Grid point 24 (14/84) ======================= q-point: ( 0.09 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.903 ( 9.987 -10.022 -7.878) 16.193 0.903 ( 9.987 10.022 -7.878) 16.193 1.033 ( 11.779 -12.528 -1.838) 17.294 1.033 ( 11.779 12.528 -1.838) 17.294 1.531 ( 8.809 -23.139 6.733) 25.658 1.531 ( 8.809 23.139 6.733) 25.658 1.610 ( 1.966 -3.378 -3.641) 5.342 1.610 ( 1.966 3.378 -3.641) 5.342 1.996 ( 1.111 -2.102 1.009) 2.583 1.996 ( 1.111 2.102 1.009) 2.583 2.155 ( 1.773 -3.443 -2.464) 4.590 2.155 ( 1.773 3.443 -2.464) 4.590 2.428 ( 6.313 -3.020 1.327) 7.123 2.428 ( 6.313 3.020 1.327) 7.123 2.544 ( 1.496 -6.770 0.364) 6.943 2.544 ( 1.496 6.770 0.364) 6.943 2.750 ( 4.376 -4.318 -1.031) 6.234 2.750 ( 4.376 4.318 -1.031) 6.234 2.861 ( -2.165 -1.913 2.055) 3.545 2.861 ( -2.165 1.913 2.055) 3.545 2.996 ( -2.283 -3.072 6.267) 7.344 2.996 ( -2.283 3.072 6.267) 7.344 3.214 ( -0.758 -7.452 1.216) 7.589 3.214 ( -0.758 7.452 1.216) 7.589 3.422 ( 0.213 -1.752 -3.343) 3.780 3.422 ( 0.213 1.752 -3.343) 3.780 3.556 ( -3.972 -4.521 1.689) 6.251 3.556 ( -3.972 4.521 1.689) 6.251 3.739 ( 0.372 -2.963 -4.237) 5.183 3.739 ( 0.372 2.963 -4.237) 5.183 3.828 ( -0.018 -5.893 2.365) 6.350 3.828 ( -0.018 5.893 2.365) 6.350 3.918 ( 4.374 -4.480 -5.545) 8.363 3.918 ( 4.374 4.480 -5.545) 8.363 4.129 ( 2.003 -0.531 1.713) 2.689 4.129 ( 2.003 0.531 1.713) 2.689 4.797 ( -0.450 -2.025 -0.604) 2.161 4.797 ( -0.450 2.025 -0.604) 2.161 5.009 ( 1.364 -2.781 1.322) 3.367 5.009 ( 1.364 2.781 1.322) 3.367 5.282 ( -2.847 -2.099 -2.022) 4.074 5.282 ( -2.847 2.099 -2.022) 4.074 5.368 ( -1.013 -3.267 1.695) 3.817 5.368 ( -1.013 3.267 1.695) 3.817 5.709 ( -0.543 -5.327 2.230) 5.800 5.709 ( -0.543 5.327 2.230) 5.800 5.941 ( -4.175 -3.723 -2.456) 6.109 5.941 ( -4.175 3.723 -2.456) 6.109 6.917 ( 0.234 -0.917 -0.401) 1.028 6.917 ( 0.234 0.917 -0.401) 1.028 7.086 ( 1.438 -2.835 0.966) 3.323 7.086 ( 1.438 2.835 0.966) 3.323 8.110 ( 0.702 -3.041 -0.418) 3.149 8.110 ( 0.702 3.041 -0.418) 3.149 8.206 ( 1.063 -3.173 -0.278) 3.358 8.206 ( 1.063 3.173 -0.278) 3.358 9.149 ( -2.999 -9.936 0.276) 10.383 9.149 ( -2.999 9.936 0.276) 10.383 9.429 ( -7.848 -5.675 -1.979) 9.885 9.429 ( -7.848 5.675 -1.979) 9.885 10.628 ( 0.519 -1.658 0.263) 1.757 10.628 ( 0.519 1.658 0.263) 1.757 10.926 ( -4.045 -1.114 -1.203) 4.365 10.926 ( -4.045 1.114 -1.203) 4.365 11.131 ( 1.426 -6.628 0.973) 6.849 11.131 ( 1.426 6.628 0.973) 6.849 11.407 ( -1.105 -2.470 1.047) 2.901 11.407 ( -1.105 2.470 1.047) 2.901 11.740 ( 1.949 -0.505 0.511) 2.078 11.740 ( 1.949 0.505 0.511) 2.078 11.978 ( 3.731 -2.577 -0.251) 4.542 11.978 ( 3.731 2.577 -0.251) 4.542 14.079 ( -1.014 -19.123 -0.981) 19.175 14.079 ( -1.014 19.123 -0.981) 19.175 14.555 ( -5.694 -7.745 0.331) 9.619 14.555 ( -5.694 7.745 0.331) 9.619 14.796 ( 13.415 -0.991 0.574) 13.464 14.796 ( 13.415 0.991 0.574) 13.464 15.846 ( 9.457 -28.254 2.120) 29.870 15.846 ( 9.457 28.254 2.120) 29.870 22.299 ( 1.357 -4.502 2.760) 5.452 22.299 ( 1.357 4.502 2.760) 5.452 22.556 ( 4.319 -1.484 8.353) 9.520 22.556 ( 4.319 1.484 8.353) 9.520 22.904 ( 4.655 -3.501 -6.217) 8.519 22.904 ( 4.655 3.501 -6.217) 8.519 23.307 ( 2.675 -2.186 -2.089) 4.037 23.307 ( 2.675 2.186 -2.089) 4.037 23.791 ( 2.666 -4.431 -0.952) 5.258 23.791 ( 2.666 4.431 -0.952) 5.258 24.579 ( -3.900 -5.390 1.779) 6.886 24.579 ( -3.900 5.390 1.779) 6.886 24.966 ( -5.724 -3.686 -1.330) 6.937 24.966 ( -5.724 3.686 -1.330) 6.937 25.249 ( -7.851 -3.883 0.151) 8.760 25.249 ( -7.851 3.883 0.151) 8.760 ======================= Grid point 26 (15/84) ======================= q-point: ( 0.18 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( 12.620 -10.624 -4.544) 17.111 1.129 ( 12.620 10.624 -4.544) 17.111 1.271 ( 11.494 -12.696 -6.708) 18.393 1.271 ( 11.494 12.696 -6.708) 18.393 1.666 ( 5.106 -3.112 -1.788) 6.242 1.666 ( 5.106 3.112 -1.788) 6.242 1.802 ( 13.138 -9.183 5.333) 16.892 1.802 ( 13.138 9.183 5.333) 16.892 2.070 ( 7.036 -1.540 1.202) 7.303 2.070 ( 7.036 1.540 1.202) 7.303 2.204 ( 3.331 -2.887 -4.442) 6.258 2.204 ( 3.331 2.887 -4.442) 6.258 2.498 ( 0.812 -3.483 1.890) 4.045 2.498 ( 0.812 3.483 1.890) 4.045 2.609 ( 3.464 -4.541 -0.328) 5.721 2.609 ( 3.464 4.541 -0.328) 5.721 2.769 ( -4.027 -3.087 2.057) 5.476 2.769 ( -4.027 3.087 2.057) 5.476 2.850 ( 1.448 -4.214 2.982) 5.361 2.850 ( 1.448 4.214 2.982) 5.361 2.995 ( 2.174 -3.115 2.980) 4.828 2.995 ( 2.174 3.115 2.980) 4.828 3.196 ( 0.018 -7.039 3.844) 8.020 3.196 ( 0.018 7.039 3.844) 8.020 3.412 ( -2.173 -1.643 1.020) 2.909 3.412 ( -2.173 1.643 1.020) 2.909 3.526 ( 1.872 -1.716 -4.289) 4.985 3.526 ( 1.872 1.716 -4.289) 4.985 3.712 ( -2.228 -3.584 -3.016) 5.187 3.712 ( -2.228 3.584 -3.016) 5.187 3.834 ( 0.335 -2.710 2.481) 3.689 3.834 ( 0.335 2.710 2.481) 3.689 4.019 ( 5.617 -2.690 -5.154) 8.084 4.019 ( 5.617 2.690 -5.154) 8.084 4.181 ( 2.629 -2.414 1.161) 3.753 4.181 ( 2.629 2.414 1.161) 3.753 4.805 ( 1.576 -1.126 -0.191) 1.946 4.805 ( 1.576 1.126 -0.191) 1.946 5.050 ( 2.248 -4.056 -0.019) 4.637 5.050 ( 2.248 4.056 -0.019) 4.637 5.203 ( -4.662 -1.165 -1.530) 5.043 5.203 ( -4.662 1.165 -1.530) 5.043 5.317 ( -3.955 -2.850 2.062) 5.293 5.317 ( -3.955 2.850 2.062) 5.293 5.700 ( -0.341 -3.297 1.685) 3.718 5.700 ( -0.341 3.297 1.685) 3.718 5.866 ( -2.209 -2.896 -2.282) 4.299 5.866 ( -2.209 2.896 -2.282) 4.299 6.927 ( 0.735 -1.665 -0.538) 1.898 6.927 ( 0.735 1.665 -0.538) 1.898 7.123 ( 1.992 -3.890 1.532) 4.631 7.123 ( 1.992 3.890 1.532) 4.631 8.129 ( 1.094 -3.215 -0.889) 3.510 8.129 ( 1.094 3.215 -0.889) 3.510 8.239 ( 2.141 -3.347 -0.168) 3.977 8.239 ( 2.141 3.347 -0.168) 3.977 9.081 ( -3.437 -7.719 0.675) 8.476 9.081 ( -3.437 7.719 0.675) 8.476 9.265 ( -7.367 -7.105 -2.099) 10.448 9.265 ( -7.367 7.105 -2.099) 10.448 10.639 ( 0.523 -2.139 0.735) 2.321 10.639 ( 0.523 2.139 0.735) 2.321 10.856 ( -2.651 -2.434 -1.261) 3.813 10.856 ( -2.651 2.434 -1.261) 3.813 11.155 ( 1.115 -4.366 0.328) 4.518 11.155 ( 1.115 4.366 0.328) 4.518 11.389 ( -0.675 -2.085 1.827) 2.854 11.389 ( -0.675 2.085 1.827) 2.854 11.794 ( 3.209 -0.701 -0.538) 3.329 11.794 ( 3.209 0.701 -0.538) 3.329 12.080 ( 6.088 -2.761 0.371) 6.695 12.080 ( 6.088 2.761 0.371) 6.695 14.058 ( -0.735 -15.899 -0.774) 15.935 14.058 ( -0.735 15.899 -0.774) 15.935 14.444 ( -4.946 -13.270 1.098) 14.204 14.444 ( -4.946 13.270 1.098) 14.204 15.164 ( 21.715 -1.926 0.633) 21.810 15.164 ( 21.715 1.926 0.633) 21.810 16.067 ( 11.771 -26.342 0.838) 28.864 16.067 ( 11.771 26.342 0.838) 28.864 22.360 ( 4.067 -4.153 3.527) 6.799 22.360 ( 4.067 4.153 3.527) 6.799 22.628 ( 2.382 -1.828 6.741) 7.379 22.628 ( 2.382 1.828 6.741) 7.379 22.990 ( 3.504 -5.690 -4.586) 8.105 22.990 ( 3.504 5.690 -4.586) 8.105 23.377 ( 3.954 -2.171 -3.331) 5.608 23.377 ( 3.954 2.171 -3.331) 5.608 23.865 ( 4.571 -2.544 -1.464) 5.432 23.865 ( 4.571 2.544 -1.464) 5.432 24.477 ( -5.986 -4.040 3.208) 7.902 24.477 ( -5.986 4.040 3.208) 7.902 24.826 ( -7.509 -5.252 -1.989) 9.377 24.826 ( -7.509 5.252 -1.989) 9.377 25.054 ( -10.833 -4.087 0.333) 11.583 25.054 ( -10.833 4.087 0.333) 11.583 ======================= Grid point 28 (16/84) ======================= q-point: ( 0.27 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.375 ( 11.525 -8.347 0.250) 14.232 1.375 ( 11.525 8.347 0.250) 14.232 1.519 ( 14.095 -9.111 -9.027) 19.057 1.519 ( 14.095 9.111 -9.027) 19.057 1.787 ( 6.505 -2.752 -2.149) 7.383 1.787 ( 6.505 2.752 -2.149) 7.383 1.982 ( 5.323 -4.220 2.625) 7.282 1.982 ( 5.323 4.220 2.625) 7.282 2.219 ( 4.263 -1.291 2.062) 4.908 2.219 ( 4.263 1.291 2.062) 4.908 2.299 ( 5.782 -1.899 -0.159) 6.088 2.299 ( 5.782 1.899 -0.159) 6.088 2.494 ( -1.705 -6.239 -1.948) 6.755 2.494 ( -1.705 6.239 -1.948) 6.755 2.647 ( -0.294 -4.806 -1.981) 5.206 2.647 ( -0.294 4.806 -1.981) 5.206 2.694 ( -1.328 -2.662 2.500) 3.886 2.694 ( -1.328 2.662 2.500) 3.886 2.885 ( 3.389 -3.776 5.706) 7.636 2.885 ( 3.390 3.776 5.706) 7.636 3.013 ( -0.946 -5.641 -0.768) 5.771 3.013 ( -0.946 5.641 -0.768) 5.771 3.211 ( -1.293 -4.290 1.773) 4.819 3.211 ( -1.293 4.290 1.773) 4.819 3.401 ( 2.619 -1.200 4.444) 5.296 3.401 ( 2.619 1.200 4.444) 5.296 3.571 ( 1.271 -0.786 -1.541) 2.147 3.571 ( 1.271 0.786 -1.541) 2.147 3.679 ( -0.026 -2.757 -3.338) 4.329 3.679 ( -0.026 2.757 -3.338) 4.329 3.836 ( -0.213 -0.434 1.716) 1.783 3.836 ( -0.213 0.434 1.716) 1.783 4.129 ( 5.350 -1.211 -2.961) 6.234 4.129 ( 5.350 1.211 -2.961) 6.234 4.219 ( 0.919 -5.526 -0.382) 5.615 4.219 ( 0.919 5.526 -0.382) 5.615 4.851 ( 2.181 -3.759 -0.378) 4.362 4.851 ( 2.181 3.759 -0.378) 4.362 5.058 ( -2.156 -4.350 -2.240) 5.347 5.058 ( -2.156 4.350 -2.240) 5.347 5.123 ( -2.812 -6.108 0.240) 6.728 5.123 ( -2.812 6.108 0.240) 6.728 5.245 ( -1.925 -3.486 1.893) 4.410 5.245 ( -1.925 3.486 1.893) 4.410 5.704 ( 0.788 -3.249 0.088) 3.344 5.704 ( 0.788 3.249 0.088) 3.344 5.856 ( 1.057 -1.256 -0.622) 1.755 5.856 ( 1.057 1.256 -0.622) 1.755 6.944 ( 0.968 -2.046 -0.465) 2.311 6.944 ( 0.968 2.046 -0.465) 2.311 7.166 ( 2.136 -5.406 1.669) 6.048 7.166 ( 2.136 5.406 1.669) 6.048 8.150 ( 1.063 -3.390 -1.156) 3.736 8.150 ( 1.063 3.390 -1.156) 3.736 8.284 ( 2.137 -3.534 -0.012) 4.130 8.284 ( 2.137 3.534 -0.012) 4.130 9.019 ( -2.704 -3.398 1.297) 4.532 9.019 ( -2.704 3.398 1.297) 4.532 9.146 ( -4.280 -2.855 -2.035) 5.532 9.146 ( -4.280 2.855 -2.035) 5.532 10.647 ( 0.145 -4.545 1.288) 4.726 10.647 ( 0.145 4.545 1.288) 4.726 10.816 ( -1.300 -6.058 -1.313) 6.334 10.816 ( -1.300 6.058 -1.313) 6.334 11.180 ( 1.422 -2.613 -0.796) 3.080 11.180 ( 1.422 2.613 -0.796) 3.080 11.380 ( -0.486 -2.134 2.180) 3.089 11.380 ( -0.486 2.134 2.180) 3.089 11.862 ( 3.430 -1.090 -1.264) 3.815 11.862 ( 3.430 1.090 -1.264) 3.815 12.208 ( 6.232 -2.631 0.981) 6.836 12.208 ( 6.232 2.631 0.981) 6.836 14.055 ( 0.525 -13.275 -0.052) 13.286 14.055 ( 0.525 13.275 -0.052) 13.286 14.361 ( -3.387 -13.916 0.665) 14.338 14.361 ( -3.387 13.916 0.665) 14.338 15.616 ( 22.003 -2.354 0.526) 22.135 15.616 ( 22.003 2.354 0.526) 22.135 16.302 ( 11.175 -17.128 -0.175) 20.452 16.302 ( 11.175 17.128 -0.175) 20.452 22.450 ( 4.369 -2.886 3.309) 6.194 22.450 ( 4.369 2.886 3.309) 6.194 22.669 ( 1.574 -1.550 3.287) 3.960 22.669 ( 1.574 1.550 3.287) 3.960 23.036 ( 1.575 -5.348 -2.558) 6.134 23.036 ( 1.575 5.348 -2.558) 6.134 23.437 ( 1.720 -2.088 -3.396) 4.342 23.437 ( 1.720 2.088 -3.396) 4.342 23.962 ( 4.933 -1.631 -1.610) 5.439 23.962 ( 4.933 1.631 -1.610) 5.439 24.365 ( -4.891 -1.612 4.191) 6.640 24.365 ( -4.891 1.612 4.191) 6.640 24.675 ( -7.194 -4.929 -1.822) 8.908 24.675 ( -7.194 4.929 -1.822) 8.908 24.841 ( -9.758 -3.106 0.122) 10.241 24.841 ( -9.758 3.106 0.122) 10.241 ======================= Grid point 30 (17/84) ======================= q-point: ( 0.36 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 9.989 -5.012 1.851) 11.328 1.593 ( 9.989 5.012 1.851) 11.328 1.794 ( 12.503 -3.325 -7.104) 14.760 1.794 ( 12.503 3.325 -7.104) 14.760 1.901 ( 4.534 -4.399 -2.369) 6.747 1.901 ( 4.534 4.399 -2.369) 6.747 2.057 ( 2.503 -5.405 2.484) 6.454 2.057 ( 2.503 5.405 2.484) 6.454 2.262 ( 0.010 -3.611 5.370) 6.471 2.262 ( 0.010 3.611 5.370) 6.471 2.361 ( 1.093 -3.321 -0.873) 3.604 2.361 ( 1.093 3.321 -0.873) 3.604 2.452 ( -1.201 -5.596 -5.022) 7.614 2.452 ( -1.201 5.596 -5.022) 7.614 2.575 ( -4.639 -2.196 -1.717) 5.412 2.575 ( -4.639 2.196 -1.717) 5.412 2.715 ( 1.365 -0.754 0.277) 1.584 2.715 ( 1.365 0.754 0.277) 1.584 2.942 ( -3.050 -5.053 5.579) 8.122 2.942 ( -3.050 5.053 5.579) 8.122 3.041 ( 5.817 -2.580 0.444) 6.379 3.041 ( 5.817 2.580 0.444) 6.379 3.171 ( -0.323 -5.486 0.879) 5.565 3.171 ( -0.323 5.486 0.879) 5.565 3.450 ( 0.120 -3.775 0.104) 3.778 3.450 ( 0.120 3.775 0.104) 3.778 3.584 ( 1.165 -2.986 2.444) 4.031 3.584 ( 1.165 2.986 2.444) 4.031 3.696 ( 0.862 -2.171 -1.845) 2.977 3.696 ( 0.862 2.171 -1.845) 2.977 3.840 ( 0.765 -2.334 1.110) 2.696 3.840 ( 0.765 2.334 1.110) 2.696 4.208 ( 0.855 -1.224 -0.328) 1.529 4.208 ( 0.855 1.224 -0.328) 1.529 4.233 ( 2.380 -7.443 -2.465) 8.193 4.233 ( 2.380 7.443 -2.465) 8.193 4.857 ( -1.386 -4.507 -0.279) 4.723 4.857 ( -1.386 4.507 -0.279) 4.723 4.996 ( -3.576 -5.346 -2.244) 6.812 4.996 ( -3.576 5.346 -2.244) 6.812 5.094 ( 0.745 -4.732 0.557) 4.822 5.094 ( 0.745 4.732 0.557) 4.822 5.250 ( 1.163 -2.596 1.295) 3.125 5.250 ( 1.163 2.596 1.295) 3.125 5.725 ( 1.070 -2.530 -0.007) 2.748 5.725 ( 1.070 2.530 -0.007) 2.748 5.894 ( 2.286 -3.158 -0.410) 3.920 5.894 ( 2.286 3.158 -0.410) 3.920 6.962 ( 0.741 -1.718 -0.260) 1.889 6.962 ( 0.741 1.718 -0.260) 1.889 7.208 ( 1.872 -6.730 1.289) 7.103 7.208 ( 1.872 6.730 1.289) 7.103 8.167 ( 0.670 -3.489 -0.981) 3.686 8.167 ( 0.670 3.489 -0.981) 3.686 8.319 ( 1.267 -3.542 -0.006) 3.761 8.319 ( 1.267 3.542 -0.006) 3.761 8.977 ( -1.492 -4.400 1.601) 4.914 8.977 ( -1.492 4.400 1.601) 4.914 9.085 ( -1.906 -2.923 -1.862) 3.955 9.085 ( -1.906 2.923 -1.862) 3.955 10.647 ( -0.178 -7.526 1.261) 7.633 10.647 ( -0.178 7.526 1.261) 7.633 10.799 ( -0.395 -9.532 -1.015) 9.594 10.799 ( -0.395 9.532 -1.015) 9.594 11.210 ( 1.455 -1.379 -1.420) 2.457 11.210 ( 1.455 1.379 -1.420) 2.457 11.370 ( -0.583 -2.392 1.988) 3.164 11.370 ( -0.583 2.392 1.988) 3.164 11.922 ( 2.552 -1.494 -1.144) 3.170 11.922 ( 2.552 1.494 -1.144) 3.170 12.319 ( 4.531 -2.379 1.003) 5.215 12.319 ( 4.531 2.379 1.003) 5.215 14.075 ( 1.211 -11.939 0.277) 12.003 14.075 ( 1.211 11.939 0.277) 12.003 14.308 ( -1.987 -13.075 0.111) 13.226 14.308 ( -1.987 13.075 0.111) 13.226 16.005 ( 15.815 -2.503 0.356) 16.016 16.005 ( 15.815 2.503 0.356) 16.016 16.500 ( 8.105 -10.046 -0.363) 12.913 16.500 ( 8.105 10.046 -0.363) 12.913 22.529 ( 3.036 -1.857 2.537) 4.371 22.529 ( 3.036 1.857 2.537) 4.371 22.698 ( 1.198 -1.095 1.068) 1.943 22.698 ( 1.198 1.095 1.068) 1.943 23.060 ( 1.086 -4.338 -1.314) 4.661 23.060 ( 1.086 4.338 -1.314) 4.661 23.433 ( -1.686 -1.975 -2.666) 3.722 23.433 ( -1.686 1.975 -2.666) 3.722 24.051 ( 3.740 -1.847 -1.399) 4.400 24.051 ( 3.740 1.847 -1.399) 4.400 24.299 ( -1.980 -1.588 4.057) 4.786 24.299 ( -1.980 1.588 4.057) 4.786 24.541 ( -5.725 -3.374 -1.179) 6.749 24.541 ( -5.725 3.374 -1.179) 6.749 24.681 ( -5.877 -2.322 -0.369) 6.330 24.681 ( -5.877 2.322 -0.369) 6.330 ======================= Grid point 32 (18/84) ======================= q-point: ( 0.45 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 4.828 -4.265 0.488) 6.461 1.754 ( 4.828 4.265 0.488) 6.461 1.934 ( 2.277 -1.218 2.058) 3.303 1.934 ( 2.277 1.218 2.058) 3.303 1.991 ( 3.604 -3.606 -4.896) 7.068 1.991 ( 3.604 3.606 -4.896) 7.068 2.090 ( 0.160 -2.856 1.706) 3.331 2.090 ( 0.160 2.856 1.706) 3.331 2.254 ( 0.545 -9.171 0.041) 9.187 2.254 ( 0.545 9.171 0.041) 9.187 2.387 ( 1.357 -2.424 -0.748) 2.877 2.387 ( 1.357 2.424 -0.748) 2.877 2.415 ( -2.427 -5.303 0.812) 5.888 2.415 ( -2.427 5.303 0.812) 5.888 2.509 ( -1.360 -2.526 -2.126) 3.571 2.509 ( -1.360 2.526 -2.126) 3.571 2.748 ( 1.832 -4.697 -2.854) 5.793 2.748 ( 1.832 4.697 -2.854) 5.793 2.865 ( -3.507 -4.648 5.185) 7.797 2.865 ( -3.507 4.648 5.185) 7.797 3.080 ( -0.213 -2.433 -0.039) 2.443 3.080 ( -0.213 2.433 -0.039) 2.443 3.230 ( 2.997 -1.918 0.727) 3.631 3.230 ( 2.997 1.918 0.727) 3.631 3.428 ( -1.049 -2.663 -0.752) 2.959 3.428 ( -1.049 2.663 -0.752) 2.959 3.609 ( 0.605 -1.478 1.010) 1.890 3.609 ( 0.605 1.478 1.010) 1.890 3.702 ( 0.140 -3.462 -0.163) 3.469 3.702 ( 0.140 3.462 -0.163) 3.469 3.860 ( 0.757 -3.577 0.594) 3.704 3.860 ( 0.757 3.577 0.594) 3.704 4.201 ( -0.417 -2.291 -0.749) 2.446 4.201 ( -0.417 2.291 -0.749) 2.446 4.278 ( 1.241 -4.962 -0.503) 5.140 4.278 ( 1.241 4.962 -0.503) 5.140 4.829 ( -0.869 -2.823 -0.040) 2.953 4.829 ( -0.869 2.823 -0.040) 2.953 4.938 ( -1.623 -6.525 -0.836) 6.775 4.938 ( -1.623 6.525 -0.836) 6.775 5.121 ( 1.033 -1.969 0.122) 2.227 5.121 ( 1.033 1.969 0.122) 2.227 5.269 ( 0.520 -1.603 0.478) 1.751 5.269 ( 0.520 1.603 0.478) 1.751 5.741 ( 0.426 -2.023 0.043) 2.068 5.741 ( 0.426 2.023 0.043) 2.068 5.931 ( 1.132 -4.683 -0.231) 4.823 5.931 ( 1.132 4.683 -0.231) 4.823 6.972 ( 0.265 -0.705 -0.071) 0.757 6.972 ( 0.265 0.705 -0.071) 0.757 7.237 ( 0.787 -7.463 0.482) 7.520 7.237 ( 0.787 7.463 0.482) 7.520 8.175 ( 0.201 -3.468 -0.386) 3.495 8.175 ( 0.201 3.468 -0.386) 3.495 8.335 ( 0.382 -3.379 -0.012) 3.400 8.335 ( 0.382 3.379 -0.012) 3.400 8.960 ( -0.377 -6.878 0.790) 6.933 8.960 ( -0.377 6.878 0.790) 6.933 9.060 ( -0.565 -6.280 -0.837) 6.360 9.060 ( -0.565 6.280 -0.837) 6.360 10.644 ( -0.126 -8.941 0.509) 8.956 10.644 ( -0.126 8.941 0.509) 8.956 10.795 ( -0.039 -11.057 -0.369) 11.063 10.795 ( -0.039 11.057 -0.369) 11.063 11.232 ( 0.684 -0.946 -0.777) 1.403 11.232 ( 0.684 0.946 -0.777) 1.403 11.361 ( -0.345 -2.801 0.901) 2.963 11.361 ( -0.345 2.801 0.901) 2.963 11.958 ( 0.931 -1.731 -0.445) 2.016 11.958 ( 0.931 1.731 -0.445) 2.016 12.383 ( 1.649 -2.202 0.420) 2.782 12.383 ( 1.649 2.202 0.420) 2.782 14.096 ( 0.640 -11.652 0.147) 11.670 14.096 ( 0.640 11.652 0.147) 11.670 14.281 ( -0.685 -12.548 -0.032) 12.566 14.281 ( -0.685 12.548 -0.032) 12.566 16.226 ( 5.684 -2.570 0.123) 6.239 16.226 ( 5.684 2.570 0.123) 6.239 16.614 ( 2.992 -6.427 -0.151) 7.091 16.614 ( 2.992 6.427 -0.151) 7.091 22.571 ( 0.987 -1.590 0.983) 2.114 22.571 ( 0.987 1.590 0.983) 2.114 22.718 ( 0.573 -0.402 0.173) 0.721 22.718 ( 0.573 0.402 0.173) 0.721 23.078 ( 0.645 -3.901 -0.371) 3.971 23.078 ( 0.645 3.901 -0.371) 3.971 23.391 ( -1.563 -0.794 -1.051) 2.043 23.391 ( -1.563 0.794 -1.051) 2.043 24.103 ( 1.385 -2.470 -0.576) 2.890 24.103 ( 1.385 2.470 -0.576) 2.890 24.280 ( -0.360 -3.309 1.771) 3.771 24.280 ( -0.360 3.309 1.771) 3.771 24.458 ( -2.182 -1.664 -0.431) 2.778 24.458 ( -2.182 1.664 -0.431) 2.778 24.605 ( -1.839 -1.707 -0.288) 2.526 24.605 ( -1.839 1.707 -0.288) 2.526 ======================= Grid point 55 (19/84) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.202 ( -3.762 0.000 16.027) 16.463 0.448 ( -5.364 0.000 21.625) 22.281 0.698 ( -3.380 0.000 33.243) 33.414 1.300 ( -2.964 0.000 -2.335) 3.773 1.367 ( -5.019 0.000 6.942) 8.566 1.575 ( -1.064 0.000 1.048) 1.493 1.684 ( -0.378 0.000 -5.814) 5.827 1.854 ( 4.361 0.000 -0.088) 4.362 1.870 ( 0.217 0.000 1.889) 1.901 1.979 ( 0.947 0.000 -2.467) 2.643 2.181 ( 1.540 0.000 7.344) 7.504 2.189 ( -1.468 0.000 3.148) 3.473 2.288 ( -3.423 0.000 -6.036) 6.939 2.380 ( 1.213 0.000 -5.888) 6.011 2.471 ( 6.312 0.000 1.635) 6.520 2.499 ( 1.091 0.000 -2.883) 3.082 2.581 ( -2.725 0.000 3.984) 4.827 2.639 ( 0.317 0.000 -1.557) 1.589 2.922 ( 2.974 0.000 -5.468) 6.224 2.974 ( 8.999 0.000 -4.558) 10.087 2.992 ( 2.281 0.000 -15.553) 15.719 3.061 ( -0.512 0.000 -4.208) 4.239 3.087 ( 3.191 0.000 -4.687) 5.670 3.254 ( 0.637 0.000 -0.061) 0.640 3.296 ( -1.710 0.000 -1.018) 1.990 3.461 ( 1.386 0.000 1.681) 2.178 3.525 ( -0.734 0.000 4.319) 4.381 3.586 ( 0.047 0.000 -2.288) 2.289 3.624 ( 2.109 0.000 0.989) 2.329 3.717 ( 0.485 0.000 -2.824) 2.865 3.844 ( -9.951 0.000 -3.473) 10.540 3.853 ( -3.205 0.000 5.583) 6.438 3.960 ( -6.961 0.000 4.425) 8.248 4.025 ( 0.320 0.000 1.535) 1.568 4.181 ( 3.230 0.000 1.819) 3.707 4.448 ( -16.171 0.000 3.165) 16.477 4.883 ( 2.072 0.000 -0.209) 2.082 4.928 ( 0.611 0.000 -1.054) 1.218 5.023 ( 0.630 0.000 -0.134) 0.644 5.070 ( -6.965 0.000 -1.628) 7.153 5.156 ( -0.796 0.000 1.775) 1.945 5.232 ( 0.138 0.000 -0.506) 0.525 5.391 ( -0.222 0.000 0.445) 0.497 5.401 ( 2.492 0.000 1.997) 3.193 5.462 ( 5.957 0.000 -1.191) 6.075 5.819 ( 1.458 0.000 -8.698) 8.820 5.932 ( 5.003 0.000 7.886) 9.339 6.216 ( -4.028 0.000 2.983) 5.013 6.896 ( -0.844 0.000 0.035) 0.845 6.958 ( 2.863 0.000 -0.580) 2.921 6.978 ( 0.220 0.000 2.669) 2.678 7.105 ( 0.648 0.000 -0.516) 0.828 8.028 ( 0.914 0.000 1.131) 1.455 8.126 ( -0.922 0.000 -1.159) 1.481 8.264 ( -6.735 0.000 -0.841) 6.787 8.302 ( 0.822 0.000 -1.661) 1.854 8.794 ( 0.564 0.000 0.466) 0.732 8.840 ( -0.551 0.000 -0.635) 0.840 9.391 ( 0.668 0.000 0.992) 1.196 9.443 ( -0.459 0.000 -0.194) 0.498 10.641 ( 1.810 0.000 -0.209) 1.822 10.669 ( -1.313 0.000 -0.617) 1.451 10.835 ( -4.803 0.000 0.080) 4.804 10.856 ( 3.875 0.000 -1.065) 4.018 11.007 ( 6.138 0.000 1.508) 6.321 11.240 ( 1.391 0.000 -6.773) 6.915 11.450 ( -2.298 0.000 0.272) 2.314 11.483 ( 2.150 0.000 -0.211) 2.160 11.802 ( 0.177 0.000 4.821) 4.824 11.879 ( -0.502 0.000 1.003) 1.122 12.004 ( -0.170 0.000 0.444) 0.476 12.028 ( 1.061 0.000 -0.128) 1.069 13.469 ( -0.415 0.000 1.486) 1.543 13.627 ( 0.184 0.000 -2.381) 2.388 14.617 ( 1.292 0.000 2.476) 2.792 14.660 ( -2.055 0.000 0.031) 2.055 14.669 ( -13.039 0.000 0.019) 13.039 14.685 ( -0.529 0.000 -0.400) 0.663 14.794 ( -0.785 0.000 7.750) 7.790 15.824 ( 39.503 0.000 -15.192) 42.324 22.153 ( 0.974 0.000 4.539) 4.642 22.447 ( -0.320 0.000 3.098) 3.114 22.473 ( 4.481 0.000 -3.203) 5.508 22.602 ( 8.883 0.000 0.263) 8.886 22.947 ( -2.432 0.000 12.163) 12.404 23.252 ( -0.751 0.000 2.622) 2.728 23.357 ( -1.435 0.000 5.156) 5.352 23.552 ( 6.234 0.000 -3.505) 7.152 23.954 ( 0.637 0.000 -5.252) 5.291 24.129 ( 1.782 0.000 -13.531) 13.648 24.726 ( 0.171 0.000 1.146) 1.159 24.788 ( -1.228 0.000 5.812) 5.940 24.817 ( -4.218 0.000 -0.790) 4.291 25.001 ( -0.086 0.000 -1.303) 1.306 25.418 ( 0.856 0.000 0.282) 0.901 25.431 ( -4.525 0.000 0.010) 4.525 ======================= Grid point 56 (20/84) ======================= q-point: ( 0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.364 ( 15.099 0.000 7.605) 16.906 0.401 ( 8.730 0.000 11.207) 14.206 1.064 ( 25.607 0.000 19.981) 32.481 1.294 ( -2.134 0.000 3.406) 4.019 1.301 ( 4.420 0.000 -2.428) 5.043 1.579 ( 1.565 0.000 -0.017) 1.566 1.710 ( 2.594 0.000 -3.724) 4.539 1.898 ( 2.292 0.000 4.198) 4.782 1.962 ( 5.695 0.000 0.693) 5.737 1.994 ( -0.085 0.000 -7.954) 7.954 2.174 ( 0.008 0.000 3.168) 3.168 2.196 ( -0.140 0.000 9.854) 9.855 2.299 ( 4.614 0.000 -5.323) 7.044 2.395 ( 0.569 0.000 -4.652) 4.687 2.563 ( 6.875 0.000 -4.001) 7.954 2.573 ( 2.251 0.000 1.572) 2.746 2.653 ( 11.170 0.000 3.852) 11.815 2.692 ( 4.507 0.000 -1.216) 4.668 2.957 ( -3.491 0.000 -2.059) 4.053 2.968 ( 2.162 0.000 -2.407) 3.235 3.038 ( -1.607 0.000 -8.984) 9.127 3.065 ( 5.422 0.000 -16.119) 17.007 3.178 ( -5.762 0.000 3.918) 6.968 3.357 ( 5.043 0.000 -4.261) 6.602 3.375 ( 0.933 0.000 2.439) 2.612 3.384 ( 5.845 0.000 -1.914) 6.151 3.495 ( -2.272 0.000 3.710) 4.351 3.635 ( 2.473 0.000 0.243) 2.485 3.648 ( -2.649 0.000 -2.629) 3.732 3.664 ( -0.547 0.000 5.902) 5.927 3.727 ( -2.457 0.000 10.580) 10.861 3.757 ( -1.450 0.000 -4.441) 4.672 3.871 ( -1.014 0.000 -0.210) 1.036 4.011 ( -1.685 0.000 1.104) 2.014 4.174 ( -7.504 0.000 8.323) 11.207 4.240 ( 2.374 0.000 4.520) 5.106 4.911 ( 0.731 0.000 1.339) 1.525 4.913 ( -2.184 0.000 -1.561) 2.685 4.974 ( -1.455 0.000 -1.624) 2.180 5.034 ( 0.144 0.000 -0.019) 0.146 5.156 ( 1.368 0.000 1.796) 2.258 5.236 ( 0.075 0.000 -0.773) 0.776 5.394 ( -2.334 0.000 2.258) 3.248 5.399 ( 0.989 0.000 0.409) 1.070 5.536 ( 1.406 0.000 -3.725) 3.981 5.789 ( -3.642 0.000 -7.768) 8.579 5.953 ( -1.191 0.000 8.822) 8.902 6.062 ( -10.586 0.000 0.060) 10.587 6.879 ( -0.827 0.000 0.092) 0.832 6.981 ( -0.015 0.000 1.968) 1.968 7.008 ( 1.119 0.000 -0.908) 1.441 7.140 ( 3.407 0.000 -1.624) 3.774 8.039 ( 0.417 0.000 1.519) 1.575 8.117 ( 0.152 0.000 -2.008) 2.013 8.181 ( -0.566 0.000 0.832) 1.006 8.327 ( 1.849 0.000 -0.484) 1.911 8.793 ( -0.600 0.000 0.911) 1.091 8.828 ( -0.427 0.000 -1.341) 1.407 9.412 ( -2.602 0.000 -0.389) 2.631 9.449 ( 1.480 0.000 -2.802) 3.169 10.612 ( -3.729 0.000 -0.832) 3.821 10.626 ( -3.594 0.000 1.234) 3.800 10.789 ( 0.760 0.000 -3.895) 3.968 10.920 ( 2.736 0.000 2.427) 3.657 11.127 ( 3.379 0.000 -2.487) 4.195 11.258 ( 1.365 0.000 -4.708) 4.901 11.390 ( -2.861 0.000 -1.818) 3.390 11.501 ( -0.414 0.000 1.680) 1.731 11.817 ( 0.962 0.000 4.532) 4.633 11.884 ( -1.826 0.000 2.882) 3.412 11.935 ( -0.661 0.000 4.934) 4.978 12.042 ( 3.973 0.000 -0.093) 3.974 13.506 ( 3.593 0.000 1.304) 3.823 13.670 ( 3.376 0.000 -2.032) 3.940 14.586 ( -3.148 0.000 4.115) 5.181 14.670 ( 2.801 0.000 -1.295) 3.086 14.791 ( 13.792 0.000 -2.434) 14.005 14.869 ( 16.932 0.000 -1.206) 16.975 14.942 ( 14.311 0.000 5.499) 15.331 16.521 ( 19.305 0.000 -41.714) 45.965 22.212 ( 4.511 0.000 4.746) 6.548 22.476 ( 2.673 0.000 3.311) 4.256 22.527 ( 2.645 0.000 -3.106) 4.079 22.808 ( 7.489 0.000 -5.888) 9.526 22.922 ( -0.096 0.000 9.169) 9.169 23.256 ( 1.028 0.000 1.860) 2.125 23.342 ( -0.428 0.000 3.731) 3.755 23.646 ( 2.046 0.000 -1.789) 2.717 23.948 ( -4.502 0.000 -0.913) 4.594 24.137 ( -0.086 0.000 -12.893) 12.894 24.256 ( -31.560 0.000 29.989) 43.536 24.685 ( -4.137 0.000 1.501) 4.401 24.735 ( -4.054 0.000 5.126) 6.536 24.953 ( -4.418 0.000 -1.119) 4.557 25.155 ( -8.543 0.000 4.474) 9.644 25.342 ( -8.115 0.000 0.350) 8.122 ======================= Grid point 57 (21/84) ======================= q-point: ( 0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 18.040 0.000 -3.609) 18.397 0.724 ( 19.391 0.000 2.891) 19.606 1.300 ( 2.816 0.000 0.088) 2.818 1.354 ( 7.275 0.000 -6.010) 9.436 1.623 ( 5.446 0.000 -3.317) 6.376 1.715 ( 26.537 0.000 12.541) 29.351 1.762 ( 2.694 0.000 -2.000) 3.355 1.932 ( -1.542 0.000 -4.921) 5.157 1.994 ( 3.328 0.000 -1.180) 3.531 2.064 ( 4.052 0.000 2.174) 4.598 2.204 ( 0.492 0.000 11.570) 11.580 2.210 ( 3.348 0.000 1.282) 3.585 2.389 ( 3.101 0.000 -5.170) 6.029 2.421 ( 2.480 0.000 -6.001) 6.493 2.676 ( 7.164 0.000 2.955) 7.750 2.721 ( 6.322 0.000 -5.630) 8.465 2.784 ( 3.728 0.000 0.451) 3.755 2.888 ( 9.790 0.000 3.461) 10.383 2.918 ( 1.826 0.000 -1.199) 2.184 2.985 ( -3.539 0.000 5.333) 6.401 3.015 ( -0.135 0.000 -3.665) 3.667 3.064 ( -2.055 0.000 0.690) 2.168 3.182 ( 7.088 0.000 -13.915) 15.616 3.216 ( -6.804 0.000 6.417) 9.353 3.440 ( -3.172 0.000 4.214) 5.275 3.457 ( 4.568 0.000 -3.352) 5.666 3.482 ( -9.566 0.000 1.509) 9.684 3.553 ( 0.223 0.000 7.192) 7.196 3.680 ( -0.817 0.000 -0.486) 0.951 3.683 ( 6.915 0.000 -3.609) 7.800 3.798 ( 7.602 0.000 -2.636) 8.046 3.800 ( 0.733 0.000 -1.245) 1.445 3.910 ( 5.039 0.000 -0.977) 5.133 3.967 ( -2.232 0.000 0.583) 2.307 4.100 ( -1.129 0.000 3.138) 3.334 4.287 ( 2.034 0.000 3.681) 4.205 4.857 ( -2.313 0.000 -2.402) 3.334 4.878 ( -3.467 0.000 2.238) 4.127 5.006 ( 3.065 0.000 -2.185) 3.764 5.017 ( -2.289 0.000 0.825) 2.433 5.214 ( 3.934 0.000 0.743) 4.003 5.227 ( -0.894 0.000 -2.197) 2.372 5.357 ( -0.572 0.000 0.726) 0.925 5.425 ( 1.265 0.000 1.113) 1.685 5.545 ( 0.083 0.000 -0.643) 0.648 5.688 ( -5.033 0.000 -4.634) 6.842 5.836 ( -10.634 0.000 -3.322) 11.141 5.928 ( -1.805 0.000 6.840) 7.074 6.865 ( -0.399 0.000 0.695) 0.801 6.985 ( 0.331 0.000 1.120) 1.168 7.026 ( 1.033 0.000 0.265) 1.067 7.220 ( 4.306 0.000 -3.019) 5.259 8.054 ( 0.962 0.000 0.847) 1.282 8.129 ( 1.149 0.000 -2.667) 2.904 8.200 ( 1.773 0.000 0.529) 1.850 8.375 ( 2.777 0.000 0.663) 2.855 8.778 ( -0.836 0.000 1.390) 1.622 8.821 ( -0.133 0.000 -1.775) 1.780 9.343 ( -3.945 0.000 -0.838) 4.033 9.431 ( -2.731 0.000 -1.930) 3.344 10.537 ( -3.354 0.000 -0.542) 3.398 10.541 ( -4.047 0.000 0.630) 4.095 10.831 ( 3.149 0.000 -4.946) 5.863 10.961 ( 1.114 0.000 3.195) 3.384 11.154 ( 0.100 0.000 -0.633) 0.641 11.296 ( 2.408 0.000 -1.432) 2.802 11.358 ( -0.139 0.000 -3.018) 3.021 11.471 ( -2.591 0.000 3.012) 3.973 11.848 ( -0.414 0.000 4.241) 4.261 11.854 ( 2.595 0.000 2.776) 3.800 12.018 ( 6.007 0.000 1.663) 6.233 12.149 ( 6.274 0.000 -0.423) 6.288 13.591 ( 4.357 0.000 1.636) 4.654 13.733 ( 2.809 0.000 -1.881) 3.381 14.516 ( -3.670 0.000 3.969) 5.406 14.692 ( -0.626 0.000 -1.250) 1.398 15.142 ( 20.342 0.000 -2.234) 20.464 15.293 ( 23.373 0.000 -0.577) 23.380 15.335 ( 23.194 0.000 3.151) 23.407 16.663 ( 2.284 0.000 -25.818) 25.918 22.332 ( 6.792 0.000 4.774) 8.302 22.540 ( 2.897 0.000 3.965) 4.910 22.580 ( 2.645 0.000 -2.452) 3.607 22.862 ( 0.137 0.000 4.445) 4.447 22.966 ( 2.235 0.000 1.613) 2.757 23.279 ( -0.073 0.000 2.492) 2.493 23.352 ( 1.850 0.000 0.241) 1.866 23.500 ( -13.187 0.000 22.946) 26.465 23.838 ( 2.267 0.000 -4.441) 4.986 24.109 ( 2.298 0.000 0.612) 2.379 24.111 ( -1.467 0.000 -12.063) 12.152 24.584 ( -5.367 0.000 1.864) 5.682 24.639 ( -5.659 0.000 3.964) 6.909 24.832 ( -7.280 0.000 -0.793) 7.323 25.012 ( -7.240 0.000 1.362) 7.367 25.122 ( -12.840 0.000 -0.117) 12.840 ======================= Grid point 58 (22/84) ======================= q-point: ( 0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( 18.746 0.000 -8.390) 20.538 1.116 ( 18.793 0.000 -0.350) 18.796 1.406 ( 7.503 0.000 -1.047) 7.576 1.504 ( 8.079 0.000 -8.877) 12.003 1.702 ( 3.783 0.000 -4.301) 5.728 1.783 ( -1.987 0.000 -0.411) 2.029 1.917 ( 3.114 0.000 -10.449) 10.903 2.077 ( 3.573 0.000 1.064) 3.728 2.121 ( 2.343 0.000 3.659) 4.344 2.185 ( 8.469 0.000 6.162) 10.474 2.272 ( 12.259 0.000 5.348) 13.375 2.293 ( 4.180 0.000 1.464) 4.429 2.413 ( 0.250 0.000 -4.670) 4.677 2.482 ( 4.037 0.000 -3.475) 5.327 2.738 ( -2.713 0.000 -5.195) 5.861 2.788 ( 1.307 0.000 5.419) 5.574 2.838 ( -8.187 0.000 5.849) 10.062 2.864 ( 5.041 0.000 2.737) 5.736 2.967 ( -1.281 0.000 -0.538) 1.390 2.980 ( -2.247 0.000 3.411) 4.084 3.016 ( 1.349 0.000 -0.883) 1.612 3.095 ( 2.494 0.000 3.181) 4.042 3.171 ( 4.695 0.000 -1.708) 4.996 3.345 ( 5.922 0.000 0.268) 5.928 3.371 ( 1.548 0.000 -5.615) 5.824 3.386 ( -2.374 0.000 4.318) 4.927 3.527 ( -2.247 0.000 8.657) 8.943 3.536 ( 4.392 0.000 -5.648) 7.155 3.671 ( -0.428 0.000 -1.548) 1.606 3.778 ( 0.648 0.000 -0.777) 1.012 3.795 ( -0.771 0.000 1.489) 1.676 3.866 ( -0.316 0.000 0.075) 0.325 3.986 ( 4.371 0.000 2.393) 4.983 4.028 ( 6.000 0.000 -2.644) 6.557 4.126 ( 3.151 0.000 -1.110) 3.341 4.316 ( 0.533 0.000 -0.868) 1.019 4.795 ( -4.376 0.000 1.668) 4.683 4.836 ( -0.927 0.000 0.268) 0.965 4.948 ( -2.789 0.000 0.389) 2.816 5.045 ( 0.485 0.000 -3.361) 3.395 5.222 ( 1.158 0.000 -1.834) 2.169 5.299 ( 4.048 0.000 -1.212) 4.225 5.367 ( 0.706 0.000 1.049) 1.264 5.443 ( 0.487 0.000 1.631) 1.702 5.554 ( 1.075 0.000 -1.077) 1.522 5.611 ( -3.194 0.000 -4.552) 5.560 5.668 ( -4.389 0.000 -0.707) 4.446 5.893 ( -1.808 0.000 5.385) 5.681 6.870 ( 0.881 0.000 1.273) 1.549 6.993 ( 0.289 0.000 0.797) 0.848 7.051 ( 1.322 0.000 0.349) 1.367 7.302 ( 4.062 0.000 -4.350) 5.951 8.076 ( 1.082 0.000 0.528) 1.203 8.157 ( 1.734 0.000 -2.785) 3.280 8.241 ( 2.157 0.000 1.081) 2.413 8.430 ( 2.291 0.000 1.409) 2.689 8.765 ( -0.586 0.000 1.826) 1.918 8.822 ( 0.409 0.000 -1.903) 1.947 9.266 ( -3.296 0.000 -1.762) 3.738 9.350 ( -4.918 0.000 -0.496) 4.943 10.477 ( -2.299 0.000 0.541) 2.362 10.485 ( -1.701 0.000 -0.752) 1.860 10.900 ( 3.973 0.000 -5.215) 6.556 10.969 ( -0.409 0.000 3.411) 3.435 11.156 ( 0.595 0.000 -1.475) 1.590 11.340 ( 1.578 0.000 0.614) 1.694 11.368 ( 0.882 0.000 -1.401) 1.656 11.410 ( -3.347 0.000 3.498) 4.841 11.866 ( 1.611 0.000 2.386) 2.880 11.920 ( 3.614 0.000 1.107) 3.780 12.149 ( 6.455 0.000 1.431) 6.612 12.276 ( 5.958 0.000 -0.634) 5.992 13.674 ( 3.630 0.000 1.772) 4.039 13.781 ( 2.175 0.000 -2.055) 2.992 14.458 ( -2.217 0.000 3.472) 4.119 14.651 ( -2.873 0.000 -1.894) 3.441 15.567 ( 21.042 0.000 -0.673) 21.053 15.753 ( 21.521 0.000 2.645) 21.683 15.813 ( 22.728 0.000 -1.154) 22.757 16.685 ( 2.091 0.000 -13.857) 14.014 22.480 ( 7.310 0.000 5.140) 8.936 22.586 ( 1.318 0.000 4.154) 4.358 22.628 ( 2.314 0.000 -1.060) 2.545 22.862 ( -0.504 0.000 5.158) 5.183 22.981 ( -0.543 0.000 7.059) 7.079 23.242 ( -3.176 0.000 1.820) 3.660 23.342 ( -3.988 0.000 6.417) 7.555 23.406 ( 2.418 0.000 -2.247) 3.301 23.917 ( 4.595 0.000 -4.993) 6.785 24.073 ( -1.284 0.000 -10.961) 11.036 24.171 ( 3.285 0.000 -1.111) 3.468 24.494 ( -3.372 0.000 1.624) 3.743 24.526 ( -5.483 0.000 3.303) 6.401 24.676 ( -7.639 0.000 -0.337) 7.647 24.861 ( -7.582 0.000 0.745) 7.619 24.862 ( -12.269 0.000 0.349) 12.274 ======================= Grid point 59 (23/84) ======================= q-point: ( 0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.428 ( 16.722 0.000 -9.962) 19.465 1.443 ( 13.250 0.000 -7.331) 15.143 1.578 ( 8.670 0.000 2.482) 9.019 1.654 ( 7.186 0.000 -8.818) 11.375 1.716 ( -3.221 0.000 -5.481) 6.357 1.768 ( 3.142 0.000 -5.680) 6.491 2.019 ( 6.243 0.000 -6.012) 8.667 2.114 ( 0.070 0.000 0.428) 0.433 2.143 ( -0.200 0.000 2.527) 2.535 2.245 ( 1.991 0.000 2.102) 2.895 2.342 ( -0.492 0.000 2.742) 2.786 2.420 ( 1.244 0.000 -2.694) 2.968 2.472 ( 4.576 0.000 -2.377) 5.156 2.601 ( 6.265 0.000 -1.747) 6.504 2.630 ( -6.809 0.000 -3.326) 7.578 2.706 ( -4.608 0.000 4.337) 6.328 2.726 ( -5.060 0.000 2.162) 5.503 2.873 ( -5.425 0.000 8.145) 9.786 2.961 ( 0.990 0.000 7.594) 7.658 3.010 ( 0.935 0.000 -3.415) 3.540 3.062 ( 9.365 0.000 1.583) 9.498 3.129 ( 0.587 0.000 0.654) 0.879 3.307 ( 5.285 0.000 1.444) 5.479 3.343 ( -2.274 0.000 4.156) 4.738 3.353 ( -0.269 0.000 -1.048) 1.082 3.481 ( 3.622 0.000 -2.169) 4.222 3.490 ( -1.478 0.000 8.521) 8.648 3.656 ( 4.416 0.000 -5.577) 7.113 3.658 ( 1.984 0.000 -0.758) 2.124 3.724 ( -3.783 0.000 -0.889) 3.886 3.771 ( -1.801 0.000 3.620) 4.044 3.867 ( -0.326 0.000 2.670) 2.690 4.074 ( 3.883 0.000 3.501) 5.228 4.132 ( 4.357 0.000 -2.228) 4.894 4.182 ( 1.543 0.000 -2.240) 2.720 4.319 ( 0.361 0.000 -4.874) 4.887 4.727 ( -2.108 0.000 1.568) 2.627 4.752 ( -5.411 0.000 1.308) 5.566 4.988 ( 4.647 0.000 1.071) 4.769 5.030 ( -1.087 0.000 -6.338) 6.430 5.260 ( 2.063 0.000 0.287) 2.082 5.354 ( 1.335 0.000 -2.138) 2.521 5.371 ( -0.183 0.000 1.915) 1.924 5.435 ( -2.128 0.000 -5.364) 5.771 5.551 ( -0.065 0.000 1.903) 1.904 5.578 ( 0.932 0.000 -1.781) 2.010 5.667 ( 1.790 0.000 2.597) 3.154 5.874 ( -0.308 0.000 3.844) 3.856 6.902 ( 2.133 0.000 1.623) 2.680 6.994 ( -0.299 0.000 0.991) 1.035 7.075 ( 0.916 0.000 -0.259) 0.952 7.371 ( 2.922 0.000 -5.829) 6.521 8.095 ( 0.758 0.000 0.338) 0.830 8.191 ( 1.755 0.000 -2.460) 3.022 8.285 ( 2.119 0.000 2.060) 2.955 8.459 ( 0.467 0.000 1.545) 1.614 8.756 ( -0.481 0.000 1.871) 1.932 8.836 ( 1.054 0.000 -1.882) 2.158 9.219 ( -1.097 0.000 -2.339) 2.584 9.246 ( -5.059 0.000 0.578) 5.092 10.444 ( -1.161 0.000 0.544) 1.282 10.466 ( -0.305 0.000 -1.104) 1.146 10.952 ( -1.388 0.000 3.233) 3.518 10.982 ( 4.436 0.000 -5.001) 6.685 11.180 ( 1.880 0.000 -2.174) 2.874 11.322 ( -3.459 0.000 0.911) 3.577 11.379 ( 0.031 0.000 3.688) 3.688 11.383 ( 0.546 0.000 0.495) 0.737 11.906 ( 2.026 0.000 1.532) 2.540 11.990 ( 3.096 0.000 0.162) 3.100 12.263 ( 4.488 0.000 1.174) 4.639 12.376 ( 3.821 0.000 -0.990) 3.947 13.735 ( 2.249 0.000 1.571) 2.743 13.820 ( 1.857 0.000 -2.034) 2.754 14.431 ( -0.869 0.000 2.895) 3.023 14.593 ( -2.443 0.000 -2.013) 3.166 15.946 ( 15.777 0.000 0.484) 15.785 16.126 ( 14.618 0.000 1.881) 14.739 16.207 ( 15.985 0.000 -1.268) 16.035 16.727 ( 2.359 0.000 -7.399) 7.766 22.599 ( -0.131 0.000 3.197) 3.199 22.620 ( 5.767 0.000 6.687) 8.831 22.673 ( 2.138 0.000 0.183) 2.145 22.841 ( -2.033 0.000 7.125) 7.410 22.980 ( 0.237 0.000 5.323) 5.328 23.178 ( -2.638 0.000 -0.093) 2.639 23.308 ( -0.231 0.000 -3.190) 3.198 23.415 ( -1.313 0.000 -3.478) 3.718 23.993 ( 2.861 0.000 -4.127) 5.022 24.056 ( 0.369 0.000 -9.064) 9.071 24.227 ( 2.057 0.000 -0.731) 2.183 24.427 ( -3.660 0.000 -1.581) 3.987 24.461 ( -0.709 0.000 4.828) 4.880 24.548 ( -4.561 0.000 0.323) 4.572 24.650 ( -8.654 0.000 1.767) 8.833 24.721 ( -6.097 0.000 0.469) 6.115 ======================= Grid point 60 (24/84) ======================= q-point: ( 0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 1.235 0.000 -9.959) 10.035 1.670 ( 3.813 0.000 -7.565) 8.471 1.697 ( 8.980 0.000 -9.887) 13.356 1.729 ( 3.471 0.000 -0.296) 3.484 1.785 ( 7.090 0.000 -7.354) 10.216 1.827 ( 3.343 0.000 -5.295) 6.262 2.066 ( -1.710 0.000 -1.167) 2.071 2.117 ( -2.397 0.000 -0.026) 2.397 2.152 ( 3.878 0.000 -1.801) 4.276 2.272 ( -0.053 0.000 0.351) 0.355 2.289 ( -3.361 0.000 6.690) 7.487 2.454 ( 1.276 0.000 -2.333) 2.659 2.491 ( -4.160 0.000 -4.122) 5.856 2.557 ( 3.188 0.000 -3.144) 4.477 2.620 ( -2.222 0.000 0.536) 2.286 2.643 ( -2.112 0.000 -4.794) 5.239 2.704 ( 1.074 0.000 3.061) 3.244 2.809 ( -1.058 0.000 9.095) 9.157 2.972 ( -1.671 0.000 14.434) 14.530 2.986 ( -1.553 0.000 -4.680) 4.931 3.164 ( 4.128 0.000 -2.554) 4.854 3.232 ( 2.794 0.000 2.973) 4.079 3.282 ( -1.183 0.000 5.432) 5.560 3.333 ( -1.588 0.000 -0.362) 1.629 3.340 ( -2.534 0.000 6.378) 6.863 3.511 ( 2.352 0.000 4.180) 4.796 3.520 ( 0.729 0.000 -2.877) 2.968 3.629 ( -2.078 0.000 -2.329) 3.121 3.668 ( -1.341 0.000 -1.337) 1.894 3.734 ( -1.505 0.000 4.134) 4.400 3.782 ( 4.783 0.000 -0.246) 4.789 3.854 ( -0.848 0.000 3.369) 3.474 4.146 ( 2.397 0.000 0.752) 2.512 4.165 ( -2.439 0.000 -1.126) 2.687 4.193 ( 1.672 0.000 -0.593) 1.775 4.335 ( 1.815 0.000 -6.456) 6.707 4.678 ( -1.730 0.000 1.542) 2.317 4.713 ( 0.298 0.000 2.584) 2.601 5.011 ( -0.116 0.000 -7.409) 7.410 5.065 ( 2.005 0.000 -0.479) 2.062 5.288 ( 0.437 0.000 0.787) 0.900 5.359 ( -0.233 0.000 -0.848) 0.879 5.374 ( 0.502 0.000 2.325) 2.379 5.380 ( -1.987 0.000 -6.681) 6.970 5.586 ( 0.229 0.000 -1.005) 1.030 5.588 ( 2.207 0.000 3.050) 3.764 5.705 ( 1.478 0.000 4.293) 4.541 5.874 ( -0.512 0.000 1.921) 1.988 6.949 ( 2.189 0.000 1.514) 2.662 6.981 ( -0.987 0.000 1.794) 2.048 7.083 ( -0.163 0.000 -1.156) 1.168 7.402 ( 0.406 0.000 -7.000) 7.012 8.106 ( 0.250 0.000 0.070) 0.260 8.221 ( 1.275 0.000 -1.948) 2.328 8.330 ( 2.136 0.000 3.369) 3.989 8.453 ( -0.977 0.000 0.865) 1.305 8.746 ( -0.608 0.000 1.530) 1.646 8.857 ( 1.038 0.000 -1.761) 2.044 9.161 ( -3.065 0.000 0.784) 3.164 9.216 ( 0.812 0.000 -1.916) 2.081 10.426 ( -0.718 0.000 0.257) 0.763 10.467 ( 0.399 0.000 -1.130) 1.198 10.921 ( -1.831 0.000 2.403) 3.021 11.068 ( 4.342 0.000 -4.595) 6.322 11.223 ( 2.365 0.000 -1.745) 2.938 11.247 ( -3.737 0.000 0.379) 3.756 11.375 ( -0.782 0.000 3.671) 3.754 11.389 ( -0.000 0.000 1.758) 1.758 11.942 ( 1.302 0.000 1.484) 1.974 12.038 ( 1.547 0.000 -0.101) 1.550 12.322 ( 1.180 0.000 0.818) 1.436 12.422 ( 0.768 0.000 -1.507) 1.691 13.763 ( 0.342 0.000 1.102) 1.154 13.850 ( 1.166 0.000 -1.634) 2.008 14.419 ( -0.639 0.000 2.207) 2.298 14.560 ( -0.572 0.000 -1.561) 1.662 16.172 ( 6.115 0.000 1.201) 6.231 16.319 ( 4.118 0.000 0.205) 4.123 16.439 ( 6.851 0.000 -0.053) 6.851 16.756 ( 0.684 0.000 -4.849) 4.897 22.584 ( -1.575 0.000 2.766) 3.183 22.706 ( 2.059 0.000 7.358) 7.640 22.710 ( 1.300 0.000 1.265) 1.814 22.796 ( -2.732 0.000 6.886) 7.408 22.994 ( 0.667 0.000 2.714) 2.795 23.155 ( 0.276 0.000 -1.840) 1.861 23.316 ( 1.200 0.000 -5.415) 5.546 23.378 ( -0.767 0.000 -2.954) 3.052 24.019 ( 0.093 0.000 -3.942) 3.943 24.067 ( 0.940 0.000 -7.794) 7.851 24.249 ( 0.359 0.000 -0.258) 0.442 24.374 ( -1.600 0.000 -3.248) 3.621 24.456 ( -1.497 0.000 4.354) 4.605 24.504 ( -0.228 0.000 1.229) 1.250 24.531 ( -2.229 0.000 3.207) 3.906 24.630 ( -2.582 0.000 0.131) 2.586 ======================= Grid point 61 (25/84) ======================= q-point: (-0.45 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -2.394 0.000 -10.182) 10.460 1.665 ( -5.634 0.000 -3.421) 6.592 1.748 ( -2.837 0.000 -6.724) 7.297 1.799 ( 4.094 0.000 -8.832) 9.734 1.870 ( 1.499 0.000 -5.698) 5.892 1.927 ( 5.147 0.000 -3.804) 6.401 2.048 ( 0.653 0.000 -0.986) 1.182 2.068 ( -1.587 0.000 -0.105) 1.590 2.176 ( -0.730 0.000 6.362) 6.403 2.232 ( -3.616 0.000 -0.271) 3.626 2.273 ( 1.145 0.000 0.761) 1.375 2.432 ( -2.959 0.000 -2.907) 4.148 2.445 ( -0.161 0.000 -6.230) 6.232 2.555 ( -4.777 0.000 -3.709) 6.048 2.624 ( 2.265 0.000 -6.254) 6.652 2.627 ( 1.083 0.000 6.411) 6.502 2.739 ( 1.866 0.000 0.468) 1.924 2.810 ( 0.401 0.000 7.541) 7.552 2.944 ( -0.803 0.000 13.102) 13.126 2.963 ( 0.153 0.000 -4.705) 4.708 3.174 ( -5.921 0.000 4.424) 7.391 3.231 ( -0.754 0.000 -0.963) 1.223 3.260 ( -4.211 0.000 7.794) 8.859 3.299 ( -1.123 0.000 2.805) 3.021 3.326 ( 2.905 0.000 1.375) 3.214 3.525 ( 0.163 0.000 -5.181) 5.184 3.534 ( -0.496 0.000 2.287) 2.340 3.565 ( -3.689 0.000 -0.406) 3.711 3.672 ( 1.204 0.000 0.033) 1.205 3.716 ( -0.449 0.000 1.891) 1.943 3.848 ( 0.041 0.000 1.101) 1.101 3.851 ( 1.863 0.000 2.643) 3.234 4.068 ( -4.995 0.000 -0.746) 5.051 4.205 ( 2.182 0.000 -0.278) 2.199 4.208 ( 0.283 0.000 -0.102) 0.301 4.375 ( 1.948 0.000 -5.372) 5.714 4.681 ( 1.786 0.000 1.616) 2.409 4.733 ( 1.382 0.000 3.303) 3.581 5.019 ( 1.283 0.000 -6.475) 6.601 5.055 ( -2.373 0.000 -2.142) 3.197 5.277 ( -1.421 0.000 0.290) 1.450 5.325 ( -2.921 0.000 -4.808) 5.626 5.379 ( 1.654 0.000 -0.269) 1.676 5.394 ( 1.154 0.000 2.799) 3.028 5.596 ( 0.941 0.000 -1.423) 1.706 5.621 ( 0.791 0.000 1.008) 1.282 5.735 ( 1.520 0.000 6.180) 6.365 5.839 ( -3.177 0.000 0.907) 3.304 6.952 ( -1.583 0.000 2.012) 2.560 6.991 ( 1.310 0.000 2.003) 2.393 7.066 ( -1.347 0.000 -1.825) 2.269 7.375 ( -2.518 0.000 -7.480) 7.892 8.105 ( -0.401 0.000 -0.172) 0.436 8.238 ( 0.558 0.000 -1.363) 1.472 8.371 ( 1.500 0.000 4.510) 4.753 8.428 ( -1.513 0.000 -0.227) 1.530 8.734 ( -0.671 0.000 1.009) 1.212 8.868 ( 0.027 0.000 -1.258) 1.259 9.138 ( 0.901 0.000 -0.312) 0.954 9.242 ( 1.709 0.000 -0.824) 1.897 10.416 ( -0.278 0.000 -0.147) 0.314 10.477 ( 0.550 0.000 -0.758) 0.936 10.884 ( -1.922 0.000 0.934) 2.137 11.146 ( 3.603 0.000 -4.473) 5.744 11.178 ( -2.947 0.000 -0.255) 2.958 11.266 ( 1.764 0.000 -0.298) 1.789 11.351 ( -1.892 0.000 3.600) 4.067 11.387 ( -0.135 0.000 2.203) 2.207 11.956 ( -0.060 0.000 1.861) 1.862 12.050 ( -0.462 0.000 0.143) 0.484 12.310 ( -2.269 0.000 0.626) 2.353 12.405 ( -2.250 0.000 -1.995) 3.007 13.750 ( -1.613 0.000 0.578) 1.713 13.861 ( -0.120 0.000 -1.165) 1.171 14.406 ( -0.713 0.000 1.742) 1.882 14.567 ( 1.324 0.000 -1.201) 1.788 16.181 ( -5.371 0.000 1.605) 5.606 16.286 ( -7.285 0.000 -0.857) 7.335 16.475 ( -3.371 0.000 1.145) 3.561 16.743 ( -1.630 0.000 -5.399) 5.639 22.537 ( -3.253 0.000 1.857) 3.746 22.703 ( -2.779 0.000 3.346) 4.350 22.719 ( -0.931 0.000 7.008) 7.070 22.761 ( -0.619 0.000 3.854) 3.904 23.006 ( 0.350 0.000 2.467) 2.492 23.161 ( 0.368 0.000 -1.815) 1.852 23.346 ( 1.964 0.000 -4.420) 4.837 23.425 ( 5.344 0.000 -0.823) 5.407 24.003 ( -1.133 0.000 -4.466) 4.608 24.077 ( 0.785 0.000 -8.276) 8.313 24.251 ( -0.058 0.000 0.204) 0.212 24.333 ( -2.833 0.000 -3.470) 4.479 24.425 ( 0.031 0.000 4.020) 4.020 24.516 ( 1.166 0.000 1.746) 2.100 24.562 ( 3.853 0.000 3.063) 4.922 24.629 ( 2.466 0.000 -0.080) 2.468 ======================= Grid point 62 (26/84) ======================= q-point: (-0.36 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -13.840 0.000 -1.784) 13.955 1.578 ( -13.076 0.000 -3.302) 13.487 1.605 ( 0.714 0.000 -13.423) 13.442 1.842 ( 0.489 0.000 -4.247) 4.275 1.851 ( -3.029 0.000 -3.502) 4.630 1.987 ( -0.265 0.000 0.096) 0.282 2.053 ( 0.208 0.000 1.222) 1.240 2.063 ( 0.011 0.000 3.580) 3.580 2.149 ( -4.337 0.000 0.059) 4.337 2.168 ( -1.437 0.000 3.372) 3.666 2.305 ( 0.627 0.000 -3.790) 3.842 2.373 ( 0.020 0.000 0.132) 0.134 2.439 ( -0.948 0.000 -9.292) 9.340 2.451 ( -4.457 0.000 -7.032) 8.325 2.627 ( -1.724 0.000 9.673) 9.826 2.654 ( 1.615 0.000 -6.632) 6.826 2.780 ( 2.372 0.000 -1.247) 2.680 2.827 ( -0.466 0.000 7.801) 7.815 2.952 ( -0.704 0.000 8.495) 8.524 2.958 ( -11.003 0.000 5.436) 12.273 3.001 ( -0.602 0.000 -2.403) 2.478 3.174 ( -2.740 0.000 -0.922) 2.891 3.207 ( -0.655 0.000 2.711) 2.789 3.283 ( -0.814 0.000 3.136) 3.240 3.356 ( -4.090 0.000 3.025) 5.087 3.484 ( -0.067 0.000 -3.288) 3.288 3.508 ( -1.768 0.000 1.399) 2.255 3.553 ( 0.990 0.000 -2.790) 2.960 3.683 ( -0.380 0.000 -0.314) 0.493 3.715 ( -0.045 0.000 0.066) 0.080 3.846 ( -0.295 0.000 -3.171) 3.185 3.865 ( -0.237 0.000 3.705) 3.713 3.997 ( -1.912 0.000 3.311) 3.823 4.214 ( 0.201 0.000 1.359) 1.374 4.239 ( 1.445 0.000 -0.663) 1.590 4.376 ( -2.094 0.000 -4.401) 4.874 4.751 ( 4.937 0.000 0.957) 5.029 4.771 ( 2.041 0.000 3.396) 3.962 5.002 ( -1.977 0.000 -0.858) 2.155 5.043 ( 1.090 0.000 -4.407) 4.540 5.242 ( -1.637 0.000 -0.593) 1.741 5.248 ( -4.299 0.000 -4.613) 6.305 5.407 ( 0.662 0.000 -0.028) 0.663 5.415 ( 0.601 0.000 2.990) 3.050 5.621 ( -0.693 0.000 -0.170) 0.714 5.622 ( 1.670 0.000 -3.878) 4.222 5.749 ( -5.566 0.000 1.170) 5.688 5.794 ( 4.360 0.000 6.637) 7.941 6.922 ( -1.413 0.000 2.888) 3.215 7.007 ( 0.184 0.000 1.621) 1.631 7.031 ( -1.816 0.000 -2.007) 2.707 7.300 ( -4.178 0.000 -7.237) 8.357 8.089 ( -1.155 0.000 -0.424) 1.230 8.240 ( -0.327 0.000 -0.770) 0.836 8.387 ( -0.340 0.000 4.980) 4.992 8.394 ( -1.775 0.000 -1.249) 2.170 8.723 ( -0.366 0.000 0.502) 0.621 8.861 ( -0.417 0.000 -0.618) 0.745 9.196 ( 4.732 0.000 -1.943) 5.116 9.282 ( 2.267 0.000 0.310) 2.288 10.419 ( 0.710 0.000 -0.426) 0.828 10.487 ( 0.550 0.000 -0.187) 0.581 10.848 ( -1.677 0.000 -0.920) 1.913 11.131 ( -1.579 0.000 -1.196) 1.981 11.204 ( 2.121 0.000 -3.372) 3.984 11.280 ( -0.722 0.000 1.785) 1.925 11.306 ( -2.483 0.000 2.624) 3.612 11.397 ( 1.137 0.000 1.715) 2.058 11.942 ( -1.495 0.000 2.505) 2.917 12.020 ( -2.459 0.000 0.814) 2.590 12.237 ( -4.886 0.000 0.755) 4.944 12.334 ( -4.491 0.000 -2.264) 5.029 13.703 ( -2.955 0.000 0.292) 2.970 13.843 ( -1.586 0.000 -0.986) 1.867 14.400 ( 0.204 0.000 1.858) 1.869 14.607 ( 2.551 0.000 -1.299) 2.862 15.973 ( -14.726 0.000 1.707) 14.825 16.037 ( -16.951 0.000 -1.459) 17.013 16.305 ( -13.539 0.000 2.470) 13.763 16.680 ( -4.220 0.000 -9.213) 10.133 22.456 ( -4.803 0.000 1.331) 4.984 22.626 ( -4.582 0.000 2.469) 5.205 22.689 ( -2.354 0.000 6.306) 6.731 22.751 ( -1.085 0.000 3.213) 3.391 23.012 ( 0.110 0.000 4.015) 4.017 23.184 ( 2.187 0.000 -0.990) 2.401 23.381 ( 1.545 0.000 -1.847) 2.408 23.533 ( 3.577 0.000 2.503) 4.366 23.972 ( -1.491 0.000 -5.111) 5.324 24.097 ( 1.639 0.000 -10.612) 10.737 24.247 ( -0.374 0.000 1.477) 1.524 24.282 ( -0.564 0.000 -1.970) 2.049 24.464 ( 3.204 0.000 2.932) 4.343 24.568 ( 4.294 0.000 0.963) 4.401 24.677 ( 7.348 0.000 2.071) 7.634 24.713 ( 5.526 0.000 0.072) 5.527 ======================= Grid point 63 (27/84) ======================= q-point: (-0.27 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.087 ( -16.911 0.000 0.347) 16.915 1.252 ( -18.395 0.000 -0.520) 18.403 1.624 ( 1.048 0.000 -7.564) 7.636 1.757 ( -5.759 0.000 -4.753) 7.467 1.808 ( -3.186 0.000 -4.661) 5.646 1.896 ( -7.904 0.000 4.076) 8.893 2.009 ( -5.972 0.000 4.405) 7.421 2.060 ( -0.440 0.000 5.488) 5.506 2.100 ( -5.103 0.000 1.236) 5.250 2.114 ( 1.001 0.000 1.640) 1.921 2.262 ( -2.326 0.000 0.737) 2.440 2.294 ( -16.423 0.000 -1.368) 16.480 2.396 ( -1.184 0.000 -10.277) 10.345 2.466 ( 5.663 0.000 -1.860) 5.961 2.574 ( -4.036 0.000 3.350) 5.245 2.649 ( -4.765 0.000 -1.307) 4.941 2.721 ( 1.340 0.000 -1.670) 2.141 2.822 ( 1.226 0.000 -0.570) 1.352 2.846 ( -2.566 0.000 3.605) 4.425 2.893 ( -4.418 0.000 1.396) 4.633 3.007 ( -1.516 0.000 -0.670) 1.657 3.154 ( 0.269 0.000 -3.205) 3.217 3.193 ( -9.833 0.000 4.819) 10.950 3.227 ( 1.475 0.000 1.071) 1.823 3.270 ( 0.244 0.000 0.385) 0.456 3.485 ( -0.452 0.000 2.937) 2.972 3.509 ( 0.869 0.000 0.525) 1.015 3.582 ( 2.205 0.000 -3.324) 3.989 3.671 ( -0.262 0.000 -4.986) 4.993 3.685 ( -3.060 0.000 1.016) 3.224 3.838 ( 0.013 0.000 -0.229) 0.229 3.874 ( 1.344 0.000 1.692) 2.161 3.977 ( -0.744 0.000 3.028) 3.117 4.202 ( -2.264 0.000 3.501) 4.170 4.269 ( 1.743 0.000 1.050) 2.035 4.289 ( -5.279 0.000 -3.549) 6.361 4.809 ( 1.249 0.000 2.344) 2.656 4.851 ( 3.653 0.000 0.326) 3.667 4.997 ( 1.700 0.000 0.889) 1.919 5.052 ( 0.389 0.000 -1.753) 1.795 5.163 ( -3.248 0.000 -4.719) 5.729 5.226 ( 0.132 0.000 -1.088) 1.096 5.410 ( 0.084 0.000 0.206) 0.222 5.416 ( -0.808 0.000 2.237) 2.378 5.606 ( -0.250 0.000 -1.031) 1.061 5.608 ( -4.712 0.000 -3.265) 5.733 5.681 ( 1.201 0.000 -1.176) 1.681 5.921 ( 7.504 0.000 5.726) 9.440 6.905 ( -0.395 0.000 3.189) 3.213 6.997 ( -1.326 0.000 -1.856) 2.281 7.002 ( -0.752 0.000 1.391) 1.581 7.209 ( -4.175 0.000 -6.357) 7.606 8.059 ( -1.611 0.000 -0.675) 1.746 8.223 ( -1.288 0.000 -0.404) 1.350 8.355 ( -1.997 0.000 -1.901) 2.757 8.366 ( -1.901 0.000 4.635) 5.010 8.723 ( 0.457 0.000 0.131) 0.475 8.854 ( -0.287 0.000 -0.372) 0.470 9.311 ( 6.404 0.000 -2.994) 7.069 9.333 ( 2.757 0.000 0.996) 2.931 10.448 ( 2.233 0.000 -0.561) 2.303 10.504 ( 1.402 0.000 0.347) 1.444 10.816 ( -1.438 0.000 -2.597) 2.969 11.113 ( -0.252 0.000 -0.153) 0.294 11.191 ( -3.420 0.000 -0.291) 3.432 11.241 ( -3.070 0.000 2.090) 3.714 11.295 ( 1.868 0.000 -2.384) 3.028 11.430 ( 1.798 0.000 1.897) 2.614 11.904 ( -2.317 0.000 3.635) 4.311 11.956 ( -3.832 0.000 1.909) 4.281 12.125 ( -6.029 0.000 1.047) 6.119 12.230 ( -5.476 0.000 -2.202) 5.902 13.637 ( -3.464 0.000 0.487) 3.498 13.798 ( -2.652 0.000 -1.235) 2.925 14.425 ( 2.246 0.000 2.591) 3.429 14.662 ( 2.861 0.000 -1.417) 3.193 15.624 ( -19.193 0.000 1.436) 19.246 15.631 ( -22.405 0.000 -1.869) 22.483 15.945 ( -22.000 0.000 4.071) 22.374 16.559 ( -7.058 0.000 -17.728) 19.082 22.352 ( -5.531 0.000 1.647) 5.771 22.530 ( -5.029 0.000 0.741) 5.083 22.634 ( -3.470 0.000 5.570) 6.562 22.716 ( -2.698 0.000 3.128) 4.131 23.017 ( -0.052 0.000 6.581) 6.582 23.240 ( 2.946 0.000 0.121) 2.948 23.398 ( 0.093 0.000 0.965) 0.970 23.540 ( -2.754 0.000 4.888) 5.611 23.945 ( -0.576 0.000 -4.973) 5.006 24.093 ( -1.186 0.000 -10.144) 10.213 24.242 ( 0.001 0.000 4.545) 4.545 24.369 ( 8.761 0.000 -4.246) 9.736 24.550 ( 5.061 0.000 4.260) 6.615 24.688 ( 7.282 0.000 -0.201) 7.285 24.843 ( 7.173 0.000 0.305) 7.179 24.858 ( 10.469 0.000 0.397) 10.477 ======================= Grid point 64 (28/84) ======================= q-point: (-0.18 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.743 ( -17.108 0.000 3.090) 17.385 0.867 ( -19.228 0.000 3.666) 19.574 1.588 ( -5.201 0.000 10.014) 11.284 1.612 ( -8.624 0.000 -8.500) 12.109 1.689 ( -16.178 0.000 9.459) 18.741 1.761 ( -0.145 0.000 -16.917) 16.917 1.825 ( -20.795 0.000 10.252) 23.184 1.899 ( -6.075 0.000 2.926) 6.743 1.986 ( -5.637 0.000 0.589) 5.667 2.041 ( -2.308 0.000 6.072) 6.496 2.134 ( -0.027 0.000 6.285) 6.285 2.234 ( -0.749 0.000 3.148) 3.236 2.373 ( -0.553 0.000 -8.128) 8.146 2.456 ( -5.460 0.000 0.577) 5.490 2.531 ( -1.840 0.000 -4.394) 4.764 2.618 ( -0.351 0.000 -10.237) 10.243 2.721 ( -4.776 0.000 -1.241) 4.935 2.789 ( -4.541 0.000 2.155) 5.027 2.830 ( 2.815 0.000 -1.820) 3.353 2.833 ( -0.936 0.000 -8.555) 8.606 2.952 ( -1.673 0.000 2.983) 3.420 3.037 ( -4.611 0.000 4.687) 6.575 3.167 ( 1.407 0.000 -5.860) 6.027 3.222 ( -1.965 0.000 -0.197) 1.975 3.321 ( 3.907 0.000 0.328) 3.921 3.490 ( -3.826 0.000 2.324) 4.477 3.493 ( 0.913 0.000 4.052) 4.154 3.604 ( -0.437 0.000 -1.193) 1.271 3.654 ( 1.499 0.000 1.274) 1.968 3.654 ( -1.471 0.000 -6.627) 6.788 3.871 ( 3.587 0.000 4.273) 5.579 3.913 ( 1.842 0.000 0.184) 1.851 3.965 ( -0.538 0.000 -0.188) 0.570 4.117 ( -4.896 0.000 2.640) 5.562 4.201 ( -3.778 0.000 1.200) 3.964 4.322 ( 3.740 0.000 5.010) 6.252 4.816 ( -0.350 0.000 -0.777) 0.852 4.882 ( 0.498 0.000 -0.307) 0.585 5.039 ( 0.818 0.000 -1.107) 1.377 5.065 ( 0.728 0.000 0.913) 1.168 5.130 ( 0.546 0.000 -0.829) 0.992 5.235 ( 0.477 0.000 -0.402) 0.624 5.388 ( -1.584 0.000 1.259) 2.024 5.417 ( 0.109 0.000 0.788) 0.796 5.520 ( -3.310 0.000 -1.634) 3.692 5.637 ( 4.074 0.000 -4.121) 5.795 5.727 ( 3.049 0.000 -2.877) 4.192 6.084 ( 7.817 0.000 4.962) 9.259 6.908 ( 0.266 0.000 2.716) 2.729 6.976 ( -0.694 0.000 -1.883) 2.007 6.983 ( -1.005 0.000 1.433) 1.750 7.131 ( -2.985 0.000 -4.649) 5.525 8.029 ( -1.258 0.000 -0.628) 1.406 8.190 ( -1.868 0.000 -0.405) 1.911 8.316 ( -1.494 0.000 -2.123) 2.597 8.329 ( -1.781 0.000 3.920) 4.305 8.742 ( 1.315 0.000 -0.069) 1.317 8.848 ( -0.298 0.000 -0.495) 0.577 9.390 ( 2.606 0.000 0.959) 2.777 9.427 ( 4.771 0.000 -3.837) 6.123 10.507 ( 3.589 0.000 -0.673) 3.652 10.555 ( 3.776 0.000 0.961) 3.896 10.784 ( -1.450 0.000 -3.463) 3.754 11.069 ( -5.435 0.000 5.272) 7.572 11.153 ( 1.467 0.000 -6.083) 6.257 11.163 ( -4.844 0.000 0.349) 4.856 11.350 ( 3.429 0.000 -3.005) 4.560 11.463 ( 1.125 0.000 2.245) 2.511 11.865 ( -1.393 0.000 5.797) 5.962 11.878 ( -3.882 0.000 3.172) 5.013 12.008 ( -5.419 0.000 1.195) 5.549 12.121 ( -4.941 0.000 -1.541) 5.176 13.567 ( -3.504 0.000 1.153) 3.689 13.737 ( -3.265 0.000 -1.841) 3.749 14.491 ( 3.872 0.000 3.524) 5.236 14.711 ( 1.638 0.000 -0.672) 1.770 15.177 ( -21.378 0.000 -2.047) 21.476 15.255 ( -15.895 0.000 0.775) 15.914 15.458 ( -25.549 0.000 5.837) 26.208 16.342 ( -14.486 0.000 -32.797) 35.853 22.245 ( -4.954 0.000 2.606) 5.598 22.432 ( -4.446 0.000 -0.125) 4.448 22.560 ( -4.143 0.000 4.680) 6.250 22.648 ( -4.029 0.000 2.710) 4.855 23.015 ( -0.861 0.000 9.333) 9.373 23.282 ( 0.826 0.000 1.827) 2.005 23.396 ( 0.231 0.000 2.816) 2.825 23.464 ( -4.263 0.000 5.576) 7.019 23.946 ( 0.714 0.000 -4.817) 4.870 24.072 ( 0.362 0.000 -11.538) 11.543 24.286 ( 5.276 0.000 11.979) 13.090 24.553 ( 8.360 0.000 -2.911) 8.852 24.665 ( 5.728 0.000 5.790) 8.145 24.839 ( 7.205 0.000 -0.930) 7.264 24.995 ( 7.782 0.000 1.553) 7.936 25.089 ( 12.114 0.000 -1.232) 12.176 ======================= Grid point 65 (29/84) ======================= q-point: (-0.09 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.419 ( -15.003 0.000 7.518) 16.782 0.534 ( -12.378 0.000 13.983) 18.675 1.144 ( -30.553 0.000 22.101) 37.708 1.426 ( -8.938 0.000 -5.220) 10.351 1.473 ( -6.078 0.000 10.843) 12.430 1.629 ( -4.914 0.000 3.721) 6.164 1.731 ( -2.537 0.000 -12.254) 12.514 1.823 ( -1.610 0.000 2.070) 2.622 1.896 ( -2.961 0.000 -1.092) 3.155 1.989 ( -2.132 0.000 4.479) 4.961 2.142 ( 0.803 0.000 8.335) 8.374 2.220 ( -1.422 0.000 4.060) 4.302 2.367 ( 0.468 0.000 -5.680) 5.699 2.384 ( -1.898 0.000 -5.980) 6.274 2.428 ( -5.112 0.000 -0.220) 5.116 2.534 ( -5.154 0.000 -5.938) 7.863 2.660 ( -1.445 0.000 -4.083) 4.332 2.669 ( -6.028 0.000 4.284) 7.395 2.851 ( 1.422 0.000 1.065) 1.777 2.860 ( 3.171 0.000 -8.608) 9.173 2.990 ( -0.915 0.000 -6.106) 6.174 3.013 ( 4.867 0.000 -2.788) 5.609 3.152 ( -4.507 0.000 -2.177) 5.005 3.207 ( 2.742 0.000 -6.580) 7.128 3.384 ( -5.633 0.000 3.253) 6.504 3.402 ( 3.723 0.000 1.135) 3.892 3.517 ( 0.933 0.000 4.389) 4.487 3.601 ( 0.225 0.000 1.295) 1.315 3.610 ( -1.968 0.000 -3.716) 4.205 3.696 ( 1.829 0.000 -0.491) 1.894 3.909 ( -2.373 0.000 -0.075) 2.374 3.939 ( -0.526 0.000 -3.883) 3.919 3.982 ( 3.736 0.000 3.335) 5.008 4.064 ( -2.545 0.000 12.026) 12.293 4.136 ( -0.769 0.000 -3.783) 3.861 4.462 ( 9.822 0.000 8.150) 12.763 4.817 ( 1.496 0.000 -2.552) 2.959 4.902 ( 1.579 0.000 -1.321) 2.059 5.026 ( -0.940 0.000 -1.125) 1.466 5.079 ( 1.213 0.000 3.247) 3.466 5.157 ( 0.922 0.000 1.781) 2.005 5.236 ( -0.265 0.000 -0.469) 0.539 5.385 ( 0.983 0.000 2.272) 2.476 5.405 ( -1.044 0.000 1.030) 1.467 5.448 ( -4.288 0.000 -2.342) 4.886 5.746 ( 5.850 0.000 -7.446) 9.469 5.802 ( 4.900 0.000 1.655) 5.172 6.212 ( 3.802 0.000 4.352) 5.779 6.909 ( -0.406 0.000 1.138) 1.209 6.957 ( -1.253 0.000 -2.111) 2.455 6.972 ( -0.062 0.000 2.282) 2.283 7.094 ( -0.256 0.000 -1.750) 1.769 8.014 ( -0.012 0.000 0.113) 0.114 8.153 ( -1.660 0.000 -0.611) 1.769 8.297 ( -0.269 0.000 -2.162) 2.178 8.311 ( -0.086 0.000 2.260) 2.262 8.772 ( 1.488 0.000 0.034) 1.489 8.843 ( -0.093 0.000 -0.505) 0.514 9.432 ( 1.438 0.000 0.359) 1.483 9.464 ( -1.873 0.000 -5.256) 5.580 10.582 ( 3.681 0.000 -0.744) 3.756 10.649 ( 4.234 0.000 1.430) 4.469 10.766 ( 1.144 0.000 -2.222) 2.499 10.949 ( -6.267 0.000 3.027) 6.959 11.046 ( -6.414 0.000 -0.911) 6.478 11.199 ( 2.866 0.000 -6.358) 6.974 11.422 ( 3.680 0.000 -1.961) 4.170 11.474 ( -0.254 0.000 1.856) 1.874 11.817 ( -2.146 0.000 4.158) 4.680 11.889 ( 4.629 0.000 8.433) 9.620 11.918 ( -3.366 0.000 1.120) 3.548 12.038 ( -3.081 0.000 -0.225) 3.089 13.503 ( -2.782 0.000 1.780) 3.303 13.667 ( -3.282 0.000 -2.439) 4.089 14.569 ( 3.150 0.000 3.506) 4.714 14.701 ( -2.749 0.000 0.088) 2.750 14.823 ( -12.587 0.000 -1.421) 12.667 14.995 ( -18.847 0.000 7.386) 20.242 15.051 ( -5.457 0.000 -2.830) 6.148 15.844 ( -31.867 0.000 -39.047) 50.401 22.168 ( -2.648 0.000 3.737) 4.580 22.380 ( 0.625 0.000 1.709) 1.819 22.484 ( -3.291 0.000 3.739) 4.981 22.574 ( -2.893 0.000 2.403) 3.761 22.989 ( -2.301 0.000 11.404) 11.634 23.275 ( -1.311 0.000 2.897) 3.180 23.396 ( -2.821 0.000 5.677) 6.339 23.438 ( 4.156 0.000 2.114) 4.663 23.952 ( 0.171 0.000 -5.445) 5.448 24.093 ( 2.269 0.000 -13.270) 13.463 24.542 ( 19.823 0.000 18.088) 26.835 24.679 ( 4.327 0.000 0.041) 4.328 24.765 ( 3.148 0.000 5.871) 6.662 24.958 ( 4.318 0.000 -1.241) 4.493 25.173 ( 11.391 0.000 6.917) 13.327 25.312 ( 9.134 0.000 -0.951) 9.183 ======================= Grid point 66 (30/84) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.574 ( -5.766 16.071 9.632) 19.603 0.665 ( -7.713 18.065 13.348) 23.749 0.923 ( 3.862 20.287 20.796) 29.308 1.172 ( -7.604 -9.205 4.440) 12.739 1.364 ( -0.549 -11.639 7.559) 13.889 1.545 ( -1.711 5.668 4.547) 7.465 1.602 ( 1.456 -1.765 -6.453) 6.846 1.819 ( 0.178 -2.259 -7.367) 7.707 1.891 ( 1.129 0.910 3.864) 4.127 2.019 ( 4.133 -5.235 -0.212) 6.673 2.103 ( 2.839 -3.171 -5.612) 7.043 2.190 ( -3.249 -9.235 3.833) 10.513 2.277 ( -3.374 8.033 0.050) 8.713 2.407 ( -0.406 2.279 1.731) 2.891 2.495 ( 1.354 4.064 -1.877) 4.677 2.531 ( 1.465 1.178 3.474) 3.950 2.620 ( 0.809 5.138 -5.066) 7.261 2.751 ( 0.771 -3.167 -0.216) 3.267 2.796 ( -1.187 -0.504 -3.900) 4.107 2.905 ( 5.008 -3.842 -4.829) 7.947 2.961 ( 3.293 -3.904 -8.940) 10.296 2.990 ( 1.756 -5.823 -9.232) 11.055 3.132 ( 5.342 1.743 -1.241) 5.755 3.307 ( -1.114 4.803 -5.223) 7.182 3.356 ( -0.647 1.518 -2.546) 3.034 3.435 ( 1.955 0.558 2.342) 3.101 3.524 ( -1.156 -0.430 2.785) 3.046 3.618 ( 0.175 4.390 1.007) 4.507 3.654 ( -0.986 -0.990 -1.362) 1.951 3.671 ( -0.880 -4.452 -5.820) 7.380 3.790 ( -4.080 -2.226 0.974) 4.749 3.851 ( -5.501 -0.605 0.601) 5.567 3.913 ( -2.492 0.097 3.489) 4.289 4.058 ( -0.109 0.148 7.073) 7.075 4.161 ( 2.167 -1.149 2.454) 3.469 4.236 ( -4.353 -4.545 11.790) 13.365 4.846 ( -1.051 -3.185 0.196) 3.360 4.874 ( 2.197 -4.904 0.133) 5.376 5.007 ( -1.399 -0.757 0.320) 1.622 5.024 ( 2.949 -1.738 0.327) 3.439 5.220 ( -1.090 1.733 -1.744) 2.689 5.288 ( -3.489 2.911 -1.968) 4.952 5.369 ( 0.821 2.198 2.227) 3.235 5.415 ( 2.417 -0.931 0.657) 2.672 5.572 ( 0.640 7.610 1.099) 7.716 5.803 ( 2.663 -2.297 -3.581) 5.019 5.915 ( 0.851 1.296 2.491) 2.934 6.141 ( -3.614 -6.217 2.229) 7.529 6.908 ( -1.191 0.917 0.334) 1.540 6.958 ( 0.921 -0.809 1.856) 2.224 7.002 ( 0.508 2.364 -0.216) 2.427 7.093 ( 1.131 -0.830 -1.039) 1.745 8.039 ( 0.517 1.740 0.300) 1.840 8.126 ( -0.877 -0.349 -1.445) 1.726 8.193 ( -1.912 -2.093 1.353) 3.141 8.261 ( 0.487 -3.304 -1.348) 3.602 8.957 ( -0.546 9.675 0.116) 9.691 9.254 ( 0.890 10.433 -14.102) 17.564 9.397 ( -6.202 2.075 -1.282) 6.665 9.452 ( 1.822 1.675 -1.447) 2.867 10.612 ( 1.824 -1.543 -0.056) 2.390 10.643 ( -0.914 -1.604 -0.996) 2.098 10.883 ( -0.460 5.149 -0.886) 5.245 10.925 ( -2.390 2.763 -3.287) 4.914 11.015 ( 3.907 0.966 1.187) 4.196 11.240 ( 0.546 -1.309 -6.417) 6.572 11.346 ( 1.129 -6.309 -0.075) 6.410 11.414 ( 0.435 -4.660 -2.262) 5.198 11.806 ( 0.302 0.401 5.156) 5.180 11.865 ( 0.912 -2.568 4.535) 5.291 11.920 ( -0.430 -0.621 3.628) 3.706 11.987 ( -0.328 -1.429 0.436) 1.530 13.686 ( -0.776 18.092 2.648) 18.301 14.321 ( 1.676 16.925 -20.522) 26.654 14.568 ( 3.201 -2.427 2.300) 4.628 14.642 ( -4.997 -1.267 0.538) 5.184 14.664 ( 0.454 0.267 0.208) 0.566 14.696 ( -1.395 -1.505 0.200) 2.062 14.927 ( -13.320 20.863 -15.871) 29.403 15.710 ( 26.376 -9.913 -16.024) 32.415 22.199 ( 1.025 3.741 2.767) 4.765 22.383 ( 2.004 -3.982 0.531) 4.490 22.520 ( 2.817 2.366 0.737) 3.752 22.594 ( 7.438 -0.824 1.069) 7.559 22.974 ( -2.462 2.836 13.505) 14.018 23.234 ( -0.226 -3.231 4.605) 5.630 23.341 ( -1.417 -0.569 7.053) 7.217 23.529 ( 5.306 -4.882 5.218) 8.901 23.817 ( -2.878 -12.203 5.190) 13.569 23.901 ( -7.432 -20.131 18.343) 28.231 24.312 ( 2.038 8.701 -10.802) 14.020 24.708 ( 0.070 -6.280 -1.187) 6.391 24.984 ( -0.853 2.455 -1.008) 2.787 25.062 ( 0.026 1.325 -1.707) 2.161 25.346 ( -1.526 -2.208 3.264) 4.226 25.394 ( 0.582 -2.039 0.387) 2.155 ======================= Grid point 67 (31/84) ======================= q-point: ( 0.09 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.548 ( 6.831 12.076 6.187) 15.192 0.685 ( 6.489 19.577 4.755) 21.165 1.108 ( 1.250 -9.467 0.634) 9.570 1.233 ( 21.353 14.619 16.408) 30.641 1.394 ( 3.213 -7.545 4.135) 9.184 1.535 ( 1.572 4.992 4.230) 6.730 1.665 ( 3.464 -1.614 -1.146) 3.990 1.850 ( 3.704 -2.733 -9.087) 10.187 1.927 ( 2.202 3.101 2.719) 4.675 2.087 ( 2.754 -4.756 2.830) 6.181 2.153 ( 0.669 -10.293 0.343) 10.320 2.185 ( 1.915 -5.442 -0.519) 5.792 2.276 ( 4.345 11.871 -2.034) 12.803 2.417 ( 0.454 2.744 -0.664) 2.860 2.542 ( 3.733 0.354 -3.195) 4.927 2.593 ( 4.689 -0.439 1.940) 5.093 2.698 ( 6.044 2.888 -3.000) 7.339 2.753 ( 0.209 4.551 -0.638) 4.600 2.828 ( 4.437 -7.494 0.723) 8.739 2.934 ( -0.862 -4.642 -4.746) 6.694 3.021 ( 1.733 -3.386 -4.705) 6.050 3.044 ( 4.305 -0.628 -8.934) 9.937 3.214 ( 3.232 0.108 -1.885) 3.743 3.267 ( -4.595 4.396 0.483) 6.377 3.344 ( -0.333 -3.572 0.366) 3.606 3.433 ( -0.884 -0.710 0.919) 1.459 3.557 ( 1.670 0.200 -1.529) 2.273 3.601 ( 2.476 0.989 -0.038) 2.667 3.635 ( -1.233 -2.192 -1.703) 3.037 3.675 ( -2.471 -1.072 2.299) 3.541 3.708 ( -1.621 2.159 -0.804) 2.817 3.814 ( 3.610 2.878 -1.840) 4.970 3.852 ( -2.826 -0.814 2.524) 3.876 4.038 ( -1.863 -0.770 2.266) 3.033 4.173 ( -1.486 3.399 9.303) 10.016 4.215 ( 1.570 -1.161 4.820) 5.201 4.834 ( 0.273 -4.283 0.502) 4.320 4.897 ( 0.001 -6.401 -0.329) 6.410 4.969 ( -1.858 2.381 -0.302) 3.035 5.058 ( 0.478 -0.346 -0.757) 0.960 5.183 ( -1.540 3.032 -0.024) 3.401 5.236 ( -1.462 0.235 -0.645) 1.615 5.360 ( -1.732 2.955 0.875) 3.536 5.464 ( 1.145 -4.288 -0.197) 4.442 5.583 ( 0.605 8.689 0.967) 8.763 5.807 ( -2.009 1.145 -6.442) 6.844 5.901 ( -1.876 -3.651 6.619) 7.788 6.004 ( -8.795 -4.625 0.087) 9.937 6.892 ( -0.473 1.268 0.498) 1.442 6.965 ( -0.009 -1.467 1.810) 2.330 7.028 ( 1.539 2.242 -0.520) 2.768 7.133 ( 2.872 -1.027 -1.212) 3.282 8.053 ( 0.657 1.429 0.504) 1.652 8.117 ( 0.137 -0.311 -2.105) 2.132 8.172 ( 0.181 -0.210 0.655) 0.712 8.284 ( 1.821 -3.589 -0.421) 4.047 8.922 ( -2.436 9.503 -0.148) 9.811 9.103 ( -8.515 16.909 -6.000) 19.860 9.338 ( -2.514 -6.039 0.270) 6.547 9.450 ( -2.020 -1.203 -2.445) 3.392 10.606 ( -1.932 -0.058 -1.128) 2.237 10.641 ( -0.379 -0.089 0.403) 0.560 10.801 ( -2.802 2.457 -3.481) 5.100 10.944 ( 0.905 0.475 1.503) 1.817 11.078 ( 1.624 -1.409 -0.712) 2.265 11.254 ( 1.388 -1.990 -4.541) 5.149 11.360 ( 0.658 -1.803 -2.199) 2.919 11.424 ( 0.126 -5.172 -0.298) 5.182 11.820 ( 0.633 0.363 5.018) 5.071 11.875 ( -2.108 -2.129 7.094) 7.700 11.922 ( 3.573 1.687 0.337) 3.966 12.022 ( 3.861 -1.750 -0.261) 4.247 13.693 ( 1.408 16.635 2.302) 16.853 14.113 ( -9.775 22.795 -8.388) 26.182 14.509 ( -4.476 -5.787 5.118) 8.928 14.645 ( 0.953 -2.501 -0.779) 2.788 14.797 ( 13.324 0.551 0.187) 13.337 14.863 ( 15.858 -2.421 1.249) 16.090 15.065 ( 17.391 16.426 -7.114) 24.958 16.219 ( 18.173 -24.590 -30.461) 43.160 22.251 ( 3.975 3.290 3.625) 6.306 22.419 ( 2.315 -3.576 0.837) 4.341 22.597 ( 4.527 4.653 -0.142) 6.494 22.785 ( 7.775 -2.275 -5.292) 9.677 22.947 ( -0.643 2.589 11.641) 11.943 23.247 ( 1.399 -3.141 3.805) 5.128 23.318 ( -1.584 -1.182 6.959) 7.234 23.616 ( -10.690 -25.857 36.487) 45.981 23.668 ( 3.287 1.942 -3.613) 5.256 23.857 ( 1.776 -6.671 -5.291) 8.698 24.320 ( -0.476 9.110 -10.315) 13.770 24.660 ( -4.433 -4.454 -0.690) 6.322 24.882 ( -8.170 4.230 0.195) 9.203 25.013 ( -4.535 0.657 -1.523) 4.828 25.180 ( -10.479 3.740 4.240) 11.906 25.320 ( -7.568 -1.867 0.469) 7.809 ======================= Grid point 68 (32/84) ======================= q-point: ( 0.18 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.796 ( 15.770 7.719 -4.411) 18.103 0.892 ( 13.351 12.001 -0.028) 17.952 1.203 ( 7.740 -4.516 -1.353) 9.062 1.463 ( 5.069 1.614 0.056) 5.320 1.564 ( 6.024 -2.457 0.928) 6.571 1.720 ( 3.179 -0.859 1.704) 3.708 1.789 ( 22.243 5.844 10.699) 25.365 1.924 ( 3.923 2.614 -9.947) 11.008 1.983 ( 3.398 1.233 3.013) 4.706 2.134 ( 2.595 -3.689 1.047) 4.631 2.211 ( 2.291 -2.263 -3.659) 4.874 2.236 ( 4.531 -0.131 7.545) 8.802 2.349 ( 1.483 3.260 -2.349) 4.283 2.433 ( 2.488 1.696 -3.838) 4.878 2.607 ( 3.705 -4.206 -3.757) 6.748 2.703 ( 2.293 -5.718 -1.055) 6.250 2.762 ( 4.266 2.000 -1.894) 5.078 2.836 ( 2.496 -2.231 1.542) 3.685 2.910 ( 1.520 -1.967 0.907) 2.646 2.923 ( 2.096 -3.017 3.144) 4.836 3.053 ( 1.528 1.074 0.138) 1.872 3.119 ( 2.405 -0.869 0.461) 2.599 3.172 ( -2.121 5.026 -1.601) 5.685 3.239 ( 0.365 0.929 -3.831) 3.959 3.359 ( 2.567 -2.369 -1.931) 3.992 3.457 ( -2.176 -4.416 -1.595) 5.175 3.467 ( -2.184 -1.649 3.996) 4.843 3.585 ( -1.700 1.529 4.365) 4.927 3.630 ( -0.307 -2.302 0.397) 2.356 3.714 ( 4.000 1.434 -2.209) 4.789 3.779 ( 1.066 0.236 -3.770) 3.925 3.821 ( 4.727 2.448 1.944) 5.667 3.936 ( 6.587 1.104 -3.019) 7.329 3.997 ( -1.577 -0.670 -1.424) 2.228 4.144 ( -1.771 5.408 5.826) 8.144 4.264 ( 2.746 -0.875 4.023) 4.949 4.855 ( -0.796 -2.587 1.772) 3.235 4.859 ( -1.125 -2.895 -1.443) 3.425 4.964 ( 0.880 -0.049 -2.563) 2.710 5.052 ( -0.901 2.674 -0.458) 2.858 5.189 ( 1.773 -1.774 -0.480) 2.554 5.198 ( -1.969 -4.079 0.907) 4.619 5.304 ( -3.663 2.933 -0.999) 4.798 5.454 ( -2.021 -5.673 0.439) 6.038 5.599 ( 0.905 7.932 0.222) 7.986 5.734 ( -4.467 2.797 -0.512) 5.296 5.807 ( -5.392 -2.201 -4.339) 7.263 5.907 ( -1.253 -2.000 4.752) 5.306 6.889 ( 0.103 1.941 0.866) 2.128 6.971 ( 0.524 -1.229 1.272) 1.844 7.056 ( 1.314 2.711 -0.133) 3.015 7.198 ( 3.541 -2.105 -2.026) 4.591 8.067 ( 0.835 1.219 0.091) 1.480 8.129 ( 1.175 -0.402 -2.454) 2.750 8.197 ( 1.924 0.454 0.775) 2.123 8.332 ( 2.729 -3.682 0.543) 4.615 8.880 ( -1.516 8.314 0.087) 8.452 8.973 ( -4.568 11.942 -1.596) 12.885 9.272 ( -3.682 -6.404 -0.554) 7.408 9.379 ( -4.488 -4.819 -1.429) 6.738 10.565 ( -1.724 2.761 -1.747) 3.694 10.603 ( -2.766 4.376 1.246) 5.325 10.796 ( 1.827 -2.246 -4.837) 5.638 10.946 ( -0.654 -3.517 2.816) 4.553 11.100 ( 0.954 -0.617 -0.866) 1.429 11.279 ( 0.949 -3.054 -1.813) 3.676 11.377 ( 1.190 0.693 -1.366) 1.939 11.415 ( -0.837 -3.213 0.897) 3.439 11.841 ( 0.980 -0.169 3.660) 3.793 11.857 ( 0.755 -0.330 4.332) 4.410 12.031 ( 6.541 1.651 0.723) 6.785 12.130 ( 6.439 -1.718 -0.496) 6.683 13.740 ( 2.829 13.646 2.183) 14.106 13.999 ( -2.637 17.957 -3.066) 18.407 14.429 ( -3.719 -7.263 4.274) 9.211 14.635 ( -1.954 -5.492 -1.113) 5.934 15.152 ( 20.830 1.155 0.266) 20.864 15.262 ( 22.439 -2.999 2.804) 22.811 15.477 ( 22.565 13.906 -5.519) 27.074 16.423 ( 6.833 -20.440 -21.581) 30.500 22.358 ( 6.105 2.202 3.881) 7.561 22.479 ( 3.407 -3.109 1.295) 4.791 22.676 ( 2.759 6.168 1.073) 6.841 22.856 ( 0.607 -0.834 3.131) 3.296 22.971 ( 1.477 0.853 4.596) 4.902 23.251 ( -4.353 -8.713 13.198) 16.403 23.307 ( 2.493 1.397 0.996) 3.026 23.442 ( -4.663 -4.138 13.510) 14.879 23.785 ( 6.030 -1.999 -4.902) 8.025 23.912 ( 3.471 -7.206 -4.646) 9.250 24.288 ( -1.700 7.880 -8.670) 11.839 24.551 ( -5.707 -3.295 -0.722) 6.630 24.714 ( -7.943 4.580 2.104) 9.407 24.889 ( -7.386 0.817 -1.385) 7.559 24.986 ( -9.480 1.218 2.803) 9.960 25.119 ( -11.583 -0.802 0.370) 11.616 ======================= Grid point 69 (33/84) ======================= q-point: ( 0.27 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.132 ( 17.479 4.900 -8.691) 20.126 1.190 ( 15.639 5.542 -5.506) 17.482 1.396 ( 10.754 -0.102 0.726) 10.779 1.589 ( 7.644 5.079 -3.245) 9.735 1.677 ( 4.986 -4.543 0.781) 6.791 1.766 ( 1.810 2.189 -1.848) 3.389 1.960 ( 2.490 4.008 -8.985) 10.149 2.062 ( 4.159 -1.035 1.274) 4.471 2.132 ( 4.683 -1.759 4.085) 6.458 2.239 ( 4.684 3.601 0.074) 5.909 2.285 ( 1.197 0.401 -2.042) 2.401 2.302 ( 7.966 0.632 0.561) 8.010 2.349 ( 1.778 -1.500 0.880) 2.487 2.515 ( 4.581 2.527 -3.691) 6.403 2.650 ( -1.079 -7.361 -1.395) 7.569 2.712 ( -1.098 -7.542 -1.843) 7.841 2.785 ( -2.183 -0.544 6.558) 6.933 2.866 ( 0.783 -1.098 4.287) 4.494 2.902 ( 0.093 -1.547 3.811) 4.114 2.986 ( 3.600 -0.915 -1.868) 4.157 3.034 ( -1.038 -1.042 2.544) 2.938 3.137 ( -1.066 3.863 5.519) 6.820 3.178 ( 1.398 -2.202 -2.475) 3.596 3.282 ( 0.799 -2.192 -2.598) 3.492 3.385 ( 0.424 2.677 1.535) 3.115 3.450 ( 7.140 1.973 -3.478) 8.184 3.525 ( 3.024 -0.856 1.229) 3.375 3.549 ( -1.968 2.701 2.550) 4.204 3.650 ( 1.419 -2.559 0.539) 2.975 3.720 ( -0.604 -4.199 1.419) 4.473 3.810 ( 0.366 2.730 -0.927) 2.906 3.893 ( 0.847 0.336 1.754) 1.976 4.019 ( 4.322 2.587 -2.013) 5.424 4.069 ( 5.872 1.906 -2.389) 6.619 4.124 ( 0.334 1.553 0.187) 1.600 4.312 ( 1.377 -0.697 1.293) 2.013 4.783 ( -3.610 0.306 0.127) 3.625 4.886 ( 1.028 2.002 0.768) 2.378 4.955 ( -2.279 0.418 -2.251) 3.230 5.032 ( -0.392 1.130 -0.542) 1.313 5.171 ( -0.665 -9.733 -0.157) 9.757 5.228 ( -1.904 -0.309 -1.570) 2.487 5.245 ( 2.260 -3.959 -0.466) 4.583 5.397 ( -3.005 -7.969 -1.206) 8.602 5.610 ( 0.173 7.279 0.727) 7.318 5.682 ( 0.129 2.297 0.728) 2.413 5.752 ( -0.751 5.564 -3.481) 6.606 5.899 ( 0.222 -0.251 3.824) 3.839 6.900 ( 0.962 2.433 1.245) 2.898 6.984 ( 0.609 -0.866 0.977) 1.441 7.081 ( 1.237 2.937 -0.058) 3.187 7.266 ( 3.274 -3.328 -3.155) 5.635 8.086 ( 1.044 1.127 0.007) 1.536 8.158 ( 1.782 -0.512 -2.363) 3.004 8.240 ( 2.075 0.674 1.162) 2.472 8.385 ( 2.248 -3.804 1.109) 4.556 8.859 ( -0.888 7.635 0.826) 7.731 8.907 ( -1.841 7.583 -1.034) 7.872 9.203 ( -2.785 -5.607 -1.457) 6.428 9.280 ( -5.101 -6.185 -0.249) 8.021 10.541 ( -0.571 4.852 -1.874) 5.233 10.552 ( -2.148 6.219 1.107) 6.672 10.844 ( 3.028 -4.508 -4.779) 7.234 10.927 ( -1.258 -5.321 2.887) 6.183 11.123 ( 1.512 -0.166 -1.598) 2.206 11.280 ( -0.834 -4.858 0.164) 4.932 11.394 ( -0.226 0.288 2.467) 2.494 11.408 ( 0.734 0.837 -0.643) 1.286 11.868 ( 1.771 0.239 2.489) 3.064 11.904 ( 3.011 -1.276 1.921) 3.793 12.168 ( 6.610 1.831 0.746) 6.899 12.260 ( 6.141 -1.437 -0.557) 6.332 13.799 ( 2.789 11.270 2.070) 11.793 13.970 ( -0.426 14.325 -2.299) 14.515 14.373 ( -2.056 -7.420 3.483) 8.451 14.575 ( -3.386 -7.131 -1.886) 8.116 15.588 ( 21.355 1.906 0.606) 21.448 15.719 ( 21.645 -2.962 3.084) 22.064 15.916 ( 20.523 9.538 -4.096) 22.999 16.534 ( 5.847 -13.056 -12.265) 18.844 22.489 ( 6.407 0.832 4.244) 7.730 22.547 ( 2.964 -1.861 1.962) 4.012 22.709 ( 0.811 5.396 2.911) 6.185 22.856 ( -0.704 -0.724 5.522) 5.614 22.985 ( -0.186 0.670 6.540) 6.577 23.174 ( -3.082 -6.175 5.820) 9.028 23.343 ( 0.010 1.293 0.061) 1.294 23.415 ( 0.316 -0.215 -0.667) 0.768 23.897 ( 5.264 -1.172 -4.545) 7.053 23.975 ( 2.997 -5.346 -5.576) 8.285 24.256 ( -0.810 5.220 -5.590) 7.691 24.451 ( -3.914 -3.287 -0.783) 5.171 24.573 ( -6.125 3.672 2.683) 7.629 24.731 ( -7.817 1.493 -1.115) 8.036 24.799 ( -9.177 -0.918 2.241) 9.491 24.892 ( -10.340 0.009 0.745) 10.366 ======================= Grid point 70 (34/84) ======================= q-point: ( 0.36 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.466 ( 15.877 3.268 -9.588) 18.833 1.486 ( 13.824 3.813 -10.866) 17.992 1.595 ( 7.802 1.718 1.728) 8.174 1.727 ( -0.024 0.168 -2.681) 2.687 1.754 ( 7.573 5.733 -2.669) 9.867 1.814 ( 4.236 4.431 -5.197) 8.036 2.014 ( 3.566 -0.116 -5.549) 6.597 2.101 ( -0.983 0.696 -1.789) 2.157 2.172 ( 0.819 1.428 0.652) 1.770 2.296 ( 2.374 2.601 1.841) 3.974 2.316 ( -0.540 -0.654 0.468) 0.969 2.340 ( 3.200 -5.962 -4.265) 7.999 2.427 ( 0.849 -4.268 -2.050) 4.810 2.527 ( -4.607 -6.611 -5.489) 9.749 2.641 ( 1.005 2.217 -1.319) 2.769 2.678 ( -1.747 -1.746 7.644) 8.033 2.738 ( -1.747 0.090 2.467) 3.025 2.777 ( -4.584 -4.963 8.016) 10.484 3.004 ( -0.886 0.047 -0.317) 0.942 3.038 ( 0.886 2.154 1.515) 2.778 3.076 ( 7.950 1.004 4.204) 9.049 3.109 ( 0.743 -1.373 3.013) 3.393 3.208 ( 0.467 -4.909 0.544) 4.961 3.292 ( 1.513 -4.230 0.884) 4.579 3.397 ( -0.329 3.363 3.925) 5.179 3.495 ( -2.068 1.720 1.777) 3.224 3.565 ( 2.604 3.572 2.902) 5.288 3.631 ( 4.218 -0.958 -3.160) 5.357 3.651 ( 1.393 -0.878 -3.762) 4.106 3.728 ( -0.118 -3.154 3.662) 4.834 3.786 ( -1.608 4.035 0.690) 4.398 3.900 ( 0.045 1.444 1.186) 1.869 4.073 ( 1.431 1.817 2.369) 3.311 4.171 ( 3.872 1.469 -2.393) 4.783 4.173 ( 3.559 0.463 -2.625) 4.447 4.323 ( 0.203 -1.355 -1.490) 2.024 4.723 ( -1.923 3.138 0.188) 3.685 4.838 ( -4.757 4.779 1.574) 6.924 4.941 ( 0.758 -2.200 -2.106) 3.139 5.046 ( 1.797 0.708 -1.735) 2.596 5.149 ( -1.269 -11.367 -0.979) 11.480 5.218 ( 0.450 -5.048 -0.418) 5.086 5.282 ( 0.982 -3.855 -1.179) 4.149 5.358 ( -0.536 -8.200 -1.768) 8.406 5.619 ( 0.674 7.815 0.649) 7.871 5.706 ( 1.233 2.818 0.284) 3.089 5.754 ( 1.179 7.955 0.269) 8.047 5.923 ( 1.647 1.960 2.126) 3.328 6.928 ( 1.643 2.138 1.529) 3.100 6.992 ( 0.044 -0.274 1.116) 1.150 7.103 ( 0.870 2.856 -0.568) 3.039 7.321 ( 2.268 -4.485 -4.468) 6.725 8.106 ( 0.870 1.266 0.194) 1.548 8.193 ( 1.789 -0.577 -2.001) 2.745 8.279 ( 1.701 0.327 1.789) 2.490 8.415 ( 0.651 -3.705 1.143) 3.932 8.838 ( -1.118 7.108 1.476) 7.345 8.896 ( 0.482 5.225 -1.478) 5.451 9.164 ( -1.280 -4.798 -1.612) 5.221 9.184 ( -3.962 -5.656 0.291) 6.912 10.513 ( -1.583 6.217 1.037) 6.498 10.542 ( 0.476 6.382 -2.058) 6.723 10.886 ( -0.560 -5.827 1.671) 6.087 10.920 ( 2.283 -6.243 -3.282) 7.413 11.159 ( 2.150 -0.446 -2.111) 3.046 11.251 ( -1.898 -4.222 0.342) 4.642 11.386 ( -0.591 1.112 2.858) 3.123 11.422 ( 0.401 0.998 0.984) 1.458 11.911 ( 2.128 0.487 1.692) 2.762 11.967 ( 2.863 -1.844 0.940) 3.533 12.282 ( 4.470 1.749 0.546) 4.831 12.363 ( 3.937 -1.176 -0.833) 4.193 13.849 ( 1.881 9.979 1.793) 10.312 13.970 ( 0.530 12.123 -2.172) 12.327 14.349 ( -0.747 -7.312 2.861) 7.887 14.513 ( -2.429 -7.403 -2.037) 8.053 15.969 ( 15.690 2.081 0.968) 15.857 16.096 ( 14.922 -2.615 2.263) 15.317 16.269 ( 14.314 5.733 -2.722) 15.657 16.637 ( 4.679 -7.742 -6.693) 11.253 22.591 ( 1.300 -0.286 3.552) 3.793 22.608 ( 4.493 -0.654 4.020) 6.064 22.727 ( 1.050 3.815 3.564) 5.325 22.834 ( -1.862 -0.783 7.286) 7.561 22.990 ( 0.529 1.208 3.956) 4.170 23.134 ( -1.183 -3.782 0.168) 3.966 23.326 ( -0.875 1.605 -3.462) 3.916 23.404 ( -1.659 -1.109 -3.428) 3.967 23.981 ( 3.190 -0.630 -4.220) 5.327 24.026 ( 2.482 -2.408 -6.341) 7.222 24.248 ( 0.063 2.284 -2.145) 3.134 24.391 ( -2.304 -3.345 -2.290) 4.663 24.482 ( -2.855 2.726 3.908) 5.555 24.593 ( -5.581 0.580 -0.455) 5.629 24.637 ( -6.483 0.934 2.655) 7.067 24.720 ( -6.667 -0.408 0.710) 6.718 ======================= Grid point 71 (35/84) ======================= q-point: ( 0.45 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( -0.272 3.506 -6.636) 7.510 1.691 ( 3.592 2.661 -6.759) 8.103 1.733 ( 4.204 3.504 -7.956) 9.657 1.737 ( 10.754 2.628 -8.092) 13.713 1.842 ( 3.427 1.517 -4.982) 6.234 1.933 ( 5.102 8.464 -4.104) 10.701 2.047 ( -2.554 -0.552 -2.135) 3.374 2.065 ( 0.436 -2.997 -1.179) 3.250 2.202 ( 1.818 2.838 0.022) 3.370 2.271 ( -1.777 -0.909 1.858) 2.726 2.315 ( -1.964 2.074 1.031) 3.036 2.401 ( 1.612 -4.768 -3.392) 6.070 2.425 ( 0.387 -4.784 -3.236) 5.789 2.468 ( 0.519 -6.695 -3.969) 7.801 2.601 ( -3.339 1.332 -2.115) 4.171 2.657 ( -1.397 -2.361 5.692) 6.319 2.693 ( -1.136 -1.099 1.086) 1.918 2.776 ( 1.505 -1.723 6.836) 7.209 2.975 ( -1.158 1.127 2.796) 3.229 3.011 ( -2.569 1.803 5.544) 6.370 3.121 ( 1.012 -2.768 -0.553) 2.999 3.175 ( -0.996 -7.801 6.052) 9.924 3.259 ( 3.954 0.995 2.424) 4.743 3.313 ( -0.485 -1.218 2.459) 2.787 3.389 ( 0.000 3.183 3.582) 4.792 3.464 ( -1.087 -0.047 1.640) 1.968 3.604 ( 0.886 2.817 0.101) 2.955 3.618 ( -0.779 -0.630 -0.280) 1.041 3.686 ( -2.306 -1.200 0.126) 2.602 3.726 ( 0.112 0.216 -0.937) 0.968 3.780 ( 1.839 2.479 0.743) 3.175 3.903 ( -0.241 1.805 1.615) 2.434 4.117 ( 2.854 -0.532 0.662) 2.977 4.178 ( -1.779 2.452 -0.960) 3.177 4.237 ( 1.455 1.059 -0.783) 1.962 4.342 ( 2.127 -0.358 -2.882) 3.599 4.714 ( 0.722 4.464 0.779) 4.588 4.767 ( -2.038 4.113 2.076) 5.038 4.949 ( 0.639 -4.203 -4.401) 6.119 5.063 ( -0.795 -2.086 -1.701) 2.807 5.150 ( 1.808 -8.040 -0.561) 8.260 5.222 ( -0.402 -6.437 0.133) 6.450 5.284 ( -0.529 -4.107 -1.379) 4.365 5.359 ( 0.298 -7.299 -1.479) 7.453 5.633 ( 0.544 7.410 0.880) 7.482 5.717 ( 0.079 4.438 -0.789) 4.509 5.793 ( 1.882 7.316 3.310) 8.248 5.950 ( 0.560 3.355 0.716) 3.476 6.963 ( 1.613 1.184 1.587) 2.554 6.987 ( -0.665 0.434 1.693) 1.870 7.111 ( -0.090 2.824 -1.362) 3.137 7.344 ( 0.247 -5.109 -5.556) 7.552 8.120 ( 0.405 1.537 0.302) 1.618 8.224 ( 1.325 -0.516 -1.669) 2.192 8.311 ( 1.312 -0.725 2.801) 3.177 8.416 ( -0.499 -3.157 0.589) 3.250 8.819 ( -0.851 6.283 1.223) 6.457 8.911 ( 0.800 4.683 -1.563) 5.001 9.109 ( -2.433 -4.573 0.898) 5.257 9.168 ( 0.760 -4.554 -1.575) 4.878 10.487 ( -1.096 5.918 0.627) 6.052 10.555 ( 0.858 7.132 -1.918) 7.435 10.855 ( -1.996 -6.038 2.312) 6.766 10.979 ( 3.053 -8.160 -3.549) 9.408 11.202 ( 1.637 -1.088 -1.731) 2.619 11.213 ( -1.170 -1.619 -1.068) 2.265 11.372 ( -1.118 1.102 3.488) 3.825 11.424 ( -0.232 0.638 1.817) 1.940 11.948 ( 1.345 0.635 1.655) 2.225 12.013 ( 1.528 -1.999 0.731) 2.620 12.340 ( 1.147 1.602 0.190) 1.980 12.411 ( 0.822 -1.007 -1.317) 1.850 13.873 ( 0.287 9.510 1.335) 9.607 13.983 ( 0.753 11.045 -1.829) 11.220 14.338 ( -0.620 -7.258 2.206) 7.611 14.481 ( -0.525 -7.253 -1.619) 7.450 16.192 ( 5.899 1.768 1.307) 6.296 16.297 ( 4.611 -2.006 1.033) 5.134 16.473 ( 5.882 3.338 -1.401) 6.907 16.699 ( 1.632 -4.850 -4.374) 6.732 22.593 ( -1.151 0.960 3.218) 3.550 22.668 ( 0.916 -1.965 4.592) 5.078 22.755 ( 1.037 2.248 4.377) 5.028 22.798 ( -1.948 0.087 6.739) 7.015 23.007 ( 0.735 1.441 1.544) 2.236 23.128 ( 0.509 -2.464 -1.728) 3.052 23.321 ( 0.848 0.571 -4.821) 4.928 23.367 ( -0.593 -0.975 -3.149) 3.349 24.017 ( 0.714 0.139 -4.246) 4.307 24.061 ( 1.354 -0.903 -6.790) 6.982 24.243 ( -0.554 0.456 -0.255) 0.762 24.347 ( -1.950 -2.674 -3.200) 4.603 24.460 ( -0.335 1.165 4.254) 4.424 24.506 ( -2.635 -0.394 1.928) 3.289 24.565 ( -0.842 2.505 1.668) 3.125 24.628 ( -2.395 -0.300 0.281) 2.430 ======================= Grid point 72 (36/84) ======================= q-point: (-0.45 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( -3.949 2.971 -8.232) 9.601 1.690 ( -3.449 3.242 -6.324) 7.899 1.750 ( -2.080 -1.820 -7.543) 8.034 1.836 ( -0.361 3.539 -5.319) 6.399 1.901 ( -0.042 0.099 -4.941) 4.943 2.000 ( 3.376 6.085 -4.363) 8.213 2.030 ( 1.694 1.092 -3.746) 4.254 2.068 ( 1.032 0.471 -0.202) 1.152 2.198 ( -2.542 2.654 6.025) 7.057 2.253 ( -2.598 -0.042 0.078) 2.599 2.282 ( 0.880 0.837 -0.342) 1.261 2.386 ( -2.709 -3.909 -2.637) 5.438 2.431 ( -0.301 -3.492 -3.626) 5.043 2.508 ( 1.971 -8.049 -4.779) 9.566 2.551 ( -0.307 3.935 -5.337) 6.638 2.644 ( 1.064 -2.169 5.962) 6.433 2.708 ( 1.477 -1.558 -0.271) 2.164 2.806 ( 1.277 -0.865 5.167) 5.392 2.950 ( -3.230 0.443 9.695) 10.228 2.982 ( 1.408 2.049 0.308) 2.506 3.117 ( -3.340 -7.433 8.668) 11.896 3.135 ( -2.034 -2.438 2.065) 3.787 3.251 ( -5.579 -0.565 1.467) 5.796 3.311 ( 1.650 -0.969 0.796) 2.072 3.389 ( -0.823 2.431 2.526) 3.601 3.470 ( 1.923 0.945 1.691) 2.730 3.570 ( -4.191 0.752 -0.980) 4.369 3.611 ( -0.400 2.253 -1.333) 2.648 3.670 ( 0.670 -2.582 1.971) 3.317 3.713 ( -0.300 2.393 -1.336) 2.757 3.821 ( 1.254 -0.957 1.849) 2.431 3.874 ( -2.454 0.453 -0.810) 2.623 4.131 ( -2.296 5.367 1.185) 5.956 4.177 ( 2.968 -0.801 -0.487) 3.112 4.242 ( -0.488 0.949 -0.897) 1.394 4.384 ( 1.400 -0.341 -1.983) 2.451 4.734 ( 1.201 4.865 1.218) 5.157 4.769 ( 1.844 3.505 2.449) 4.657 4.965 ( 0.945 -3.956 -4.115) 5.786 5.047 ( 0.053 -1.667 -2.379) 2.906 5.180 ( 0.354 -4.925 -0.411) 4.955 5.200 ( -1.528 -7.904 -0.242) 8.054 5.267 ( -0.883 -5.984 -0.984) 6.129 5.361 ( -0.039 -6.913 -1.471) 7.067 5.639 ( -0.072 6.032 1.028) 6.120 5.717 ( 0.153 4.734 -0.773) 4.799 5.818 ( 0.292 6.540 3.955) 7.648 5.936 ( -1.966 4.340 0.144) 4.767 6.968 ( -1.143 1.267 2.028) 2.650 6.992 ( 0.949 0.170 1.856) 2.091 7.096 ( -1.243 2.918 -1.919) 3.707 7.321 ( -2.090 -4.784 -6.057) 7.997 8.122 ( -0.244 1.818 0.192) 1.845 8.243 ( 0.622 -0.346 -1.476) 1.638 8.330 ( 0.184 -2.284 3.529) 4.208 8.403 ( -0.626 -2.325 0.192) 2.416 8.807 ( -0.404 6.157 0.720) 6.212 8.917 ( -0.181 4.165 -1.161) 4.328 9.094 ( 1.050 -3.729 0.096) 3.875 9.191 ( 1.565 -4.646 -0.648) 4.945 10.470 ( -0.569 5.497 -0.007) 5.526 10.572 ( 0.924 7.762 -1.368) 7.936 10.815 ( -2.011 -6.149 0.841) 6.524 11.029 ( 1.908 -9.991 -1.709) 10.315 11.180 ( -1.070 0.819 -2.265) 2.635 11.244 ( 1.693 -1.805 -1.641) 2.970 11.346 ( -1.682 1.281 3.804) 4.352 11.418 ( -0.513 0.314 2.089) 2.174 11.963 ( -0.083 0.657 2.042) 2.146 12.026 ( -0.356 -1.890 1.014) 2.174 12.328 ( -2.256 1.532 -0.054) 2.727 12.395 ( -2.254 -0.939 -1.783) 3.024 13.862 ( -1.380 9.634 0.892) 9.773 13.994 ( 0.302 11.130 -1.424) 11.224 14.325 ( -0.810 -7.372 1.756) 7.622 14.488 ( 1.208 -7.322 -1.285) 7.531 16.197 ( -5.529 1.465 1.571) 5.932 16.277 ( -6.644 -1.112 0.151) 6.738 16.497 ( -3.535 2.387 -0.414) 4.286 16.692 ( -2.081 -4.406 -4.731) 6.791 22.552 ( -3.108 1.380 2.317) 4.114 22.652 ( -2.541 -2.777 4.207) 5.645 22.760 ( -1.442 1.812 5.906) 6.344 22.772 ( -0.623 0.767 4.284) 4.396 23.019 ( 0.373 1.395 1.284) 1.932 23.135 ( 0.256 -2.397 -1.827) 3.024 23.355 ( 2.674 0.891 -3.544) 4.528 23.413 ( 5.025 -1.138 -1.146) 5.279 24.010 ( -0.876 0.806 -4.643) 4.794 24.074 ( 0.542 -0.796 -7.633) 7.694 24.226 ( -1.253 -0.870 0.430) 1.585 24.301 ( -2.560 -2.585 -2.858) 4.626 24.458 ( 0.872 2.130 3.219) 3.957 24.512 ( 2.284 -0.437 1.964) 3.044 24.586 ( 2.591 1.772 2.023) 3.734 24.630 ( 2.465 -0.071 0.186) 2.473 ======================= Grid point 73 (37/84) ======================= q-point: (-0.36 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -11.788 4.294 -1.271) 12.610 1.569 ( -7.307 0.248 -7.943) 10.796 1.683 ( -4.484 4.062 -9.650) 11.390 1.784 ( -3.543 0.043 -3.562) 5.024 1.845 ( -3.382 -4.812 -1.597) 6.094 2.014 ( -1.947 1.825 -0.313) 2.687 2.062 ( -0.362 -0.351 -1.507) 1.589 2.098 ( -0.271 2.599 3.583) 4.435 2.158 ( -1.433 4.000 3.046) 5.228 2.165 ( -4.564 -0.686 -0.838) 4.691 2.306 ( 0.967 -0.288 -5.193) 5.290 2.329 ( -2.203 -2.266 -0.679) 3.232 2.396 ( -1.861 -3.266 -4.749) 6.057 2.507 ( 1.113 -0.699 -2.329) 2.674 2.610 ( 3.109 3.675 -11.600) 12.559 2.680 ( 0.653 0.511 6.727) 6.778 2.736 ( 0.783 -2.604 0.315) 2.737 2.814 ( -0.746 -1.698 6.893) 7.138 2.905 ( -3.255 -1.247 7.452) 8.226 2.976 ( -7.422 -1.648 3.691) 8.451 3.037 ( 0.377 3.758 2.940) 4.787 3.083 ( -3.314 -5.242 3.909) 7.331 3.151 ( -1.601 -3.520 -0.446) 3.893 3.330 ( -0.871 0.519 0.321) 1.063 3.371 ( -0.170 -1.927 1.523) 2.462 3.449 ( -7.471 1.013 -1.200) 7.634 3.511 ( 1.859 0.698 -0.512) 2.051 3.605 ( 0.063 2.985 0.731) 3.074 3.685 ( 0.549 -0.811 -0.152) 0.991 3.712 ( -0.586 0.599 -0.334) 0.902 3.821 ( -0.242 -1.105 -1.270) 1.701 3.846 ( -0.370 -0.345 1.367) 1.458 4.089 ( -2.154 6.489 1.824) 7.076 4.220 ( -1.134 -0.637 -0.920) 1.593 4.237 ( 2.458 -0.091 1.237) 2.754 4.370 ( -2.922 -1.222 -2.136) 3.820 4.777 ( 2.633 3.296 2.607) 4.959 4.823 ( 3.302 4.147 0.304) 5.309 4.987 ( 2.028 -0.754 -1.990) 2.939 5.045 ( -1.479 0.592 -0.224) 1.608 5.158 ( -1.863 -2.963 -0.960) 3.629 5.186 ( 0.995 -7.849 -3.334) 8.586 5.255 ( -0.172 -8.625 0.023) 8.627 5.351 ( -0.934 -7.288 -1.558) 7.511 5.630 ( -0.830 4.491 1.142) 4.708 5.725 ( 0.458 3.790 -1.620) 4.147 5.807 ( -1.842 5.338 2.972) 6.381 5.890 ( -1.510 4.177 1.448) 4.671 6.946 ( -1.093 1.923 2.622) 3.430 7.003 ( 0.031 -0.405 1.680) 1.728 7.064 ( -1.670 3.078 -2.021) 4.044 7.259 ( -3.442 -3.682 -5.904) 7.763 8.109 ( -1.006 2.074 -0.156) 2.310 8.245 ( -0.331 -0.244 -1.283) 1.347 8.320 ( -1.322 -3.228 2.689) 4.404 8.389 ( -1.072 -1.985 0.951) 2.448 8.808 ( 0.563 6.991 0.218) 7.017 8.910 ( -0.112 4.090 -0.526) 4.125 9.147 ( 4.117 -3.887 -1.155) 5.779 9.229 ( 2.217 -4.927 0.332) 5.413 10.466 ( 0.256 4.993 -0.682) 5.046 10.589 ( 0.837 8.294 -0.420) 8.346 10.779 ( -1.442 -6.012 -1.185) 6.295 11.053 ( 0.652 -10.083 0.401) 10.112 11.164 ( -0.445 1.140 -3.428) 3.640 11.261 ( -0.190 -2.481 -0.577) 2.554 11.313 ( -1.568 2.064 2.930) 3.912 11.410 ( -0.229 -0.370 1.728) 1.782 11.947 ( -1.580 0.558 2.690) 3.169 12.000 ( -2.242 -1.591 1.647) 3.204 12.255 ( -4.867 1.553 -0.016) 5.109 12.323 ( -4.559 -0.983 -2.035) 5.089 13.824 ( -2.292 10.398 0.822) 10.680 13.993 ( -0.246 12.453 -1.361) 12.530 14.315 ( -0.051 -7.739 1.867) 7.962 14.524 ( 2.400 -7.653 -1.413) 8.144 15.981 ( -15.598 0.976 1.523) 15.702 16.044 ( -15.977 -0.174 -0.018) 15.978 16.332 ( -12.643 3.212 0.066) 13.045 16.609 ( -5.730 -6.142 -7.849) 11.496 22.474 ( -4.704 1.587 1.554) 5.202 22.583 ( -4.352 -2.906 2.695) 5.886 22.722 ( -2.557 1.930 5.739) 6.573 22.757 ( -1.432 0.316 3.895) 4.162 23.026 ( 0.281 1.468 2.865) 3.231 23.149 ( 1.432 -2.895 -0.800) 3.327 23.411 ( 2.682 2.512 -0.828) 3.767 23.519 ( 4.038 -1.386 2.085) 4.751 23.981 ( -1.563 0.956 -4.883) 5.216 24.078 ( 0.178 -2.182 -8.020) 8.314 24.200 ( -0.800 -1.827 -0.376) 2.029 24.253 ( -1.087 -2.391 -3.086) 4.053 24.516 ( 4.505 3.279 2.707) 6.195 24.585 ( 5.034 0.755 0.437) 5.109 24.679 ( 6.601 0.556 2.270) 7.003 24.714 ( 5.702 -0.059 0.401) 5.717 ======================= Grid point 74 (38/84) ======================= q-point: (-0.27 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -13.873 8.326 1.562) 16.255 1.336 ( -14.931 7.105 -2.854) 16.780 1.588 ( -4.494 -3.741 -0.527) 5.870 1.715 ( -3.786 -3.621 -6.718) 8.519 1.774 ( -2.589 -2.489 -3.598) 5.083 1.922 ( -10.697 -1.785 6.485) 12.636 1.940 ( -5.537 -0.462 0.814) 5.615 2.068 ( -5.768 -1.751 4.210) 7.352 2.086 ( -2.156 1.057 -3.602) 4.329 2.160 ( -0.797 0.978 -1.526) 1.980 2.253 ( -7.079 0.253 -0.854) 7.135 2.296 ( -1.187 0.268 0.042) 1.218 2.401 ( 1.155 1.919 -6.206) 6.598 2.495 ( -4.436 2.473 2.085) 5.491 2.613 ( -1.736 2.184 -1.652) 3.242 2.663 ( 0.268 -1.967 -3.021) 3.615 2.729 ( 0.433 1.832 -0.077) 1.884 2.780 ( -4.307 -4.287 3.404) 6.965 2.831 ( -3.927 0.975 1.845) 4.447 2.861 ( -0.575 -0.271 -0.959) 1.150 3.011 ( -3.516 -7.518 6.055) 10.273 3.061 ( -1.507 3.693 1.655) 4.318 3.182 ( 1.343 -1.845 -4.002) 4.607 3.239 ( -5.725 -0.624 -2.066) 6.119 3.321 ( -2.568 0.283 -0.706) 2.678 3.404 ( 2.191 -4.300 3.138) 5.756 3.563 ( 3.049 0.187 -1.455) 3.383 3.609 ( 0.157 4.622 2.881) 5.449 3.668 ( -2.309 -0.600 0.593) 2.458 3.694 ( -0.571 1.588 -3.400) 3.795 3.827 ( 0.311 -0.529 0.047) 0.615 3.850 ( 1.099 -1.420 1.632) 2.427 4.045 ( -2.185 5.556 0.665) 6.007 4.178 ( -2.960 -1.958 0.962) 3.677 4.270 ( -5.280 0.507 -1.498) 5.512 4.291 ( 1.503 -1.644 2.858) 3.624 4.814 ( 0.386 1.265 2.069) 2.456 4.884 ( 1.611 2.339 -0.866) 2.969 4.989 ( -2.532 -2.882 -1.354) 4.068 5.047 ( 3.049 3.585 0.282) 4.714 5.135 ( 0.619 -0.477 -0.387) 0.872 5.219 ( 1.501 -4.513 -1.968) 5.147 5.283 ( 3.714 -6.378 -1.230) 7.483 5.319 ( -2.169 -7.656 -1.428) 8.084 5.615 ( -0.702 3.707 1.124) 3.937 5.703 ( -2.687 2.981 -1.990) 4.480 5.769 ( -0.802 5.949 -0.393) 6.016 5.920 ( 4.139 -0.685 3.849) 5.694 6.931 ( -0.567 1.996 2.808) 3.492 6.994 ( -0.975 -0.552 1.535) 1.900 7.034 ( -1.032 3.087 -1.712) 3.678 7.184 ( -3.431 -2.316 -5.193) 6.641 8.083 ( -1.492 2.281 -0.582) 2.787 8.227 ( -1.436 -0.355 -1.120) 1.855 8.287 ( -1.866 -3.348 1.734) 4.207 8.356 ( -2.185 -2.099 1.257) 3.281 8.834 ( 2.116 8.832 -0.104) 9.082 8.918 ( 0.978 5.231 -0.386) 5.335 9.245 ( 5.139 -4.677 -1.214) 7.054 9.287 ( 3.933 -5.032 0.297) 6.393 10.481 ( 1.360 4.155 -1.267) 4.552 10.607 ( 1.048 7.677 0.648) 7.775 10.759 ( -0.389 -4.661 -3.263) 5.703 11.055 ( -0.819 -8.682 2.516) 9.076 11.150 ( -0.804 0.729 -2.720) 2.928 11.243 ( -1.009 -2.508 -0.964) 2.870 11.285 ( -1.445 2.209 0.777) 2.751 11.414 ( 0.490 -1.973 1.021) 2.275 11.907 ( -2.514 0.330 3.743) 4.521 11.942 ( -3.497 -1.124 2.603) 4.502 12.142 ( -6.093 1.577 0.183) 6.296 12.217 ( -5.599 -1.142 -1.982) 6.048 13.778 ( -2.188 12.083 1.393) 12.358 13.988 ( 0.083 15.236 -1.935) 15.359 14.333 ( 1.871 -8.418 2.724) 9.044 14.579 ( 3.070 -7.770 -1.649) 8.516 15.596 ( -21.932 0.043 0.690) 21.943 15.666 ( -20.819 -0.174 0.899) 20.839 16.002 ( -19.711 6.257 -0.234) 20.682 16.452 ( -9.153 -9.322 -14.778) 19.725 22.371 ( -5.423 1.756 1.560) 5.909 22.489 ( -5.003 -2.991 1.239) 5.959 22.665 ( -3.499 2.050 5.049) 6.476 22.716 ( -2.894 -0.121 3.654) 4.663 23.034 ( 0.184 1.785 5.541) 5.824 23.186 ( 1.972 -4.052 0.977) 4.611 23.444 ( 0.247 3.469 2.127) 4.076 23.543 ( -1.697 -0.081 4.681) 4.980 23.945 ( -1.752 0.079 -3.786) 4.172 24.049 ( -2.279 -4.644 -3.104) 6.033 24.189 ( -0.260 -0.709 -4.007) 4.077 24.318 ( 7.789 -4.152 -5.688) 10.501 24.631 ( 6.477 4.755 3.329) 8.697 24.717 ( 7.865 1.485 -0.990) 8.065 24.837 ( 8.087 0.114 2.635) 8.506 24.865 ( 9.780 0.254 -0.280) 9.787 ======================= Grid point 75 (39/84) ======================= q-point: (-0.18 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -11.805 13.384 6.025) 18.836 1.014 ( -15.765 13.612 -0.495) 20.834 1.491 ( -5.391 -9.413 7.829) 13.378 1.598 ( -8.106 -1.139 -3.871) 9.055 1.681 ( -12.949 -3.735 7.983) 15.664 1.741 ( -5.572 -2.448 -6.782) 9.112 1.798 ( -11.355 -0.449 1.037) 11.411 1.859 ( -11.256 0.815 7.654) 13.636 1.972 ( -6.610 -1.014 1.496) 6.853 2.023 ( -3.786 -1.235 -2.941) 4.950 2.187 ( -2.883 1.144 -0.566) 3.153 2.280 ( -0.480 2.996 6.220) 6.921 2.398 ( -0.271 2.766 -2.592) 3.800 2.467 ( -0.932 -0.609 -4.040) 4.191 2.555 ( -2.721 4.691 -3.370) 6.385 2.646 ( -4.586 -4.418 -0.617) 6.397 2.673 ( -1.803 0.030 -4.186) 4.558 2.770 ( 1.235 -3.082 -7.168) 7.900 2.801 ( -0.540 0.194 0.050) 0.576 2.889 ( 3.460 5.775 -3.846) 7.753 2.926 ( -5.148 -3.085 -0.639) 6.035 2.958 ( -5.056 -3.449 6.526) 8.946 3.065 ( -6.455 -2.980 -1.461) 7.258 3.283 ( 3.876 -3.962 -4.636) 7.226 3.333 ( 2.305 0.938 -1.325) 2.819 3.444 ( 0.532 -0.979 3.253) 3.439 3.564 ( -1.860 2.315 0.936) 3.113 3.624 ( -1.759 -1.395 1.554) 2.730 3.648 ( 2.495 5.473 1.867) 6.298 3.688 ( 0.027 1.476 -4.321) 4.567 3.833 ( 0.757 -2.858 0.589) 3.015 3.893 ( 2.492 -2.185 1.507) 3.641 4.008 ( -1.361 3.904 -0.441) 4.158 4.101 ( -4.477 -3.247 3.270) 6.425 4.161 ( -4.472 2.548 -0.310) 5.156 4.321 ( 0.449 -2.799 7.504) 8.022 4.798 ( -1.441 -0.676 -0.869) 1.814 4.886 ( 0.640 -1.272 -0.068) 1.425 4.952 ( -2.026 -3.211 -2.216) 4.396 5.077 ( -0.070 1.616 -1.103) 1.958 5.197 ( 4.443 2.163 2.324) 5.461 5.251 ( 1.266 -0.366 -1.064) 1.694 5.276 ( -0.715 -4.906 -0.243) 4.964 5.379 ( 4.747 -2.873 -1.137) 5.664 5.591 ( -2.033 4.350 0.275) 4.809 5.673 ( 1.076 1.590 -2.534) 3.179 5.782 ( 2.260 4.974 -1.371) 5.633 6.033 ( 6.075 -4.570 3.971) 8.577 6.927 ( -0.045 1.473 2.487) 2.890 6.971 ( -1.344 -0.349 1.314) 1.911 7.018 ( -0.573 2.640 -1.220) 2.964 7.121 ( -2.453 -1.154 -3.926) 4.771 8.054 ( -1.245 2.355 -0.741) 2.764 8.190 ( -1.969 -0.526 -1.037) 2.287 8.252 ( -1.609 -3.285 1.295) 3.880 8.310 ( -2.342 -2.346 0.758) 3.400 8.889 ( 3.001 9.668 0.230) 10.125 8.961 ( 4.057 9.409 -1.749) 10.394 9.331 ( 3.707 -4.358 0.790) 5.776 9.392 ( 5.628 -3.978 -2.192) 7.232 10.519 ( 2.368 2.678 -1.594) 3.914 10.635 ( 1.533 3.960 1.136) 4.396 10.762 ( 1.197 -0.478 -4.386) 4.572 11.012 ( -3.506 -5.121 3.547) 7.148 11.132 ( -1.275 0.200 -0.243) 1.314 11.223 ( -0.830 0.706 -4.461) 4.592 11.273 ( 0.807 -2.789 -1.015) 3.075 11.424 ( 0.253 -3.511 0.357) 3.538 11.860 ( -2.287 -0.197 5.321) 5.795 11.872 ( -3.316 -0.587 3.914) 5.163 12.023 ( -5.461 1.601 0.303) 5.699 12.107 ( -5.034 -1.338 -1.399) 5.393 13.740 ( -1.718 14.750 2.464) 15.053 14.007 ( 2.566 20.008 -3.707) 20.509 14.394 ( 3.760 -9.092 4.229) 10.709 14.641 ( 2.918 -6.704 -1.047) 7.386 15.147 ( -21.399 -0.709 -0.272) 21.413 15.243 ( -20.448 -2.822 2.345) 20.774 15.577 ( -20.938 11.144 -2.001) 23.803 16.204 ( -15.144 -12.024 -26.483) 32.791 22.268 ( -4.606 2.041 2.171) 5.486 22.393 ( -4.274 -2.951 0.617) 5.230 22.589 ( -4.195 2.082 4.179) 6.277 22.647 ( -4.091 -0.292 3.064) 5.120 23.036 ( -0.636 2.171 8.664) 8.955 23.220 ( 1.159 -4.831 3.542) 6.101 23.421 ( -2.489 2.315 4.623) 5.738 23.491 ( -2.849 1.266 5.038) 5.925 23.903 ( -2.139 -2.615 -3.614) 4.947 24.010 ( -1.503 -9.457 5.211) 10.902 24.203 ( 2.261 3.524 -7.907) 8.948 24.498 ( 9.335 -6.336 -5.150) 12.402 24.774 ( 7.427 5.915 3.742) 10.205 24.881 ( 7.961 1.613 -1.942) 8.352 25.008 ( 8.921 2.004 3.668) 9.851 25.088 ( 11.606 -0.325 -0.834) 11.641 ======================= Grid point 76 (40/84) ======================= q-point: (-0.09 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( -10.280 14.422 8.978) 19.857 0.779 ( -5.939 23.831 4.742) 25.013 1.208 ( -25.931 6.163 18.385) 32.379 1.392 ( -13.614 -3.922 4.217) 14.782 1.404 ( -4.021 -11.163 10.442) 15.805 1.584 ( -3.293 -3.105 -1.376) 4.730 1.653 ( -5.427 2.147 -3.819) 6.975 1.825 ( 0.433 -1.736 -3.707) 4.116 1.888 ( -1.933 -1.358 3.077) 3.879 1.969 ( -0.304 -2.505 -2.423) 3.498 2.115 ( -2.955 -2.647 -2.602) 4.744 2.259 ( -2.874 -2.437 7.585) 8.470 2.369 ( -5.813 1.093 -3.470) 6.857 2.407 ( 1.217 3.844 -2.111) 4.551 2.498 ( -2.912 4.064 2.409) 5.550 2.581 ( -4.402 5.078 -6.282) 9.199 2.633 ( -1.219 0.653 -1.516) 2.052 2.752 ( -0.082 -0.990 -3.042) 3.200 2.807 ( 0.670 0.227 -5.872) 5.915 2.844 ( -0.551 -2.369 1.192) 2.709 2.923 ( 0.874 -2.167 -5.772) 6.227 2.974 ( -1.298 -7.474 -5.429) 9.328 3.014 ( 6.260 -0.474 -1.133) 6.379 3.324 ( 0.784 -0.213 -7.277) 7.322 3.378 ( 0.519 2.257 0.777) 2.443 3.407 ( -1.674 0.344 2.014) 2.642 3.553 ( -1.048 2.129 2.785) 3.658 3.601 ( 0.383 0.522 0.790) 1.022 3.671 ( -0.176 3.569 0.212) 3.580 3.681 ( -0.363 -1.283 -3.750) 3.980 3.857 ( 0.152 -6.343 -1.470) 6.513 3.907 ( -1.184 -1.188 -1.575) 2.301 3.984 ( -3.463 0.159 2.279) 4.148 4.038 ( -0.324 0.995 10.004) 10.058 4.117 ( 0.882 1.158 1.212) 1.894 4.311 ( -2.462 -7.101 9.776) 12.331 4.798 ( 2.422 -0.956 -0.649) 2.684 4.898 ( -2.601 -2.508 -1.366) 3.863 4.940 ( 4.012 -3.236 0.258) 5.161 5.048 ( -2.205 -1.140 -0.644) 2.565 5.239 ( -0.827 0.350 -2.811) 2.951 5.284 ( 3.544 -0.594 1.916) 4.073 5.317 ( 2.694 4.797 2.017) 5.860 5.428 ( -0.590 -1.242 0.232) 1.394 5.560 ( -0.265 6.547 0.074) 6.552 5.730 ( 4.029 -1.618 -3.210) 5.400 5.854 ( 4.325 4.568 -0.501) 6.311 6.138 ( 3.275 -6.257 3.580) 7.918 6.930 ( -0.175 1.108 1.338) 1.746 6.946 ( -0.803 -0.191 1.339) 1.573 7.006 ( -0.561 2.167 -0.591) 2.315 7.087 ( -0.547 -0.740 -2.128) 2.319 8.037 ( -0.332 2.171 -0.390) 2.230 8.152 ( -1.611 -0.472 -1.034) 1.972 8.226 ( -1.311 -3.346 1.566) 3.920 8.271 ( -1.358 -2.771 -0.661) 3.157 8.940 ( 1.932 9.050 0.451) 9.265 9.102 ( 9.949 13.663 -5.915) 17.906 9.401 ( 3.053 -1.891 0.689) 3.656 9.469 ( 1.202 -0.566 -4.502) 4.694 10.569 ( 2.492 0.409 -1.246) 2.816 10.655 ( 0.092 -1.205 -0.147) 1.218 10.815 ( 4.367 4.724 -2.790) 7.013 10.949 ( -1.822 -0.117 1.838) 2.591 11.067 ( -5.245 1.346 0.088) 5.416 11.225 ( 1.254 1.294 -6.944) 7.174 11.309 ( 2.280 -7.267 -0.390) 7.626 11.420 ( -0.559 -4.292 -1.064) 4.457 11.816 ( -1.810 -0.001 4.634) 4.975 11.846 ( 0.255 -2.067 7.299) 7.590 11.937 ( -2.663 1.815 0.738) 3.306 12.023 ( -3.077 -1.391 -0.168) 3.381 13.710 ( -1.543 17.361 3.082) 17.700 14.120 ( 10.150 25.368 -9.825) 29.036 14.482 ( 4.445 -8.261 5.658) 10.955 14.677 ( 0.134 -2.877 0.123) 2.883 14.793 ( -12.493 -1.392 -0.558) 12.583 14.878 ( -15.389 -5.755 3.629) 16.826 15.253 ( -9.129 13.362 -8.821) 18.431 15.765 ( -25.389 -7.201 -32.360) 41.757 22.203 ( -1.751 2.880 2.470) 4.178 22.341 ( -0.113 -2.878 1.771) 3.381 22.515 ( -2.781 2.100 3.488) 4.930 22.571 ( -2.888 -0.308 2.650) 3.932 23.015 ( -2.140 2.593 11.641) 12.117 23.236 ( 0.071 -4.541 5.284) 6.968 23.372 ( -2.303 0.388 6.682) 7.079 23.465 ( 0.465 0.250 5.183) 5.210 23.858 ( -2.009 -5.443 -4.350) 7.252 23.986 ( -2.281 -18.383 16.308) 24.680 24.260 ( 3.524 7.273 -10.349) 13.131 24.652 ( 5.643 -7.321 -3.005) 9.720 24.921 ( 6.265 4.798 1.639) 8.060 25.013 ( 4.863 1.553 -2.016) 5.489 25.207 ( 10.568 2.832 5.323) 12.167 25.298 ( 8.437 -1.248 -0.483) 8.543 ======================= Grid point 77 (41/84) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( -9.758 -14.493 8.365) 19.371 0.896 ( -9.758 14.493 8.365) 19.371 1.038 ( -1.278 -16.231 11.388) 19.868 1.038 ( -1.278 16.231 11.388) 19.868 1.424 ( 5.236 -18.575 1.757) 19.378 1.424 ( 5.236 18.575 1.757) 19.378 1.704 ( -2.474 -6.250 5.698) 8.812 1.704 ( -2.474 6.250 5.698) 8.812 1.918 ( 3.153 -3.006 -5.514) 7.027 1.918 ( 3.153 3.006 -5.514) 7.027 2.048 ( -1.364 -2.095 -3.441) 4.253 2.048 ( -1.364 2.095 -3.441) 4.253 2.430 ( -1.068 -2.451 3.015) 4.030 2.430 ( -1.068 2.451 3.015) 4.030 2.576 ( 0.835 -6.009 3.177) 6.848 2.576 ( 0.835 6.009 3.177) 6.848 2.670 ( -1.305 -10.020 -3.400) 10.661 2.670 ( -1.305 10.020 -3.400) 10.661 2.784 ( 2.542 -6.656 -5.102) 8.763 2.784 ( 2.542 6.656 -5.102) 8.763 2.936 ( 4.266 -1.096 -7.593) 8.778 2.936 ( 4.266 1.096 -7.593) 8.778 3.232 ( 1.946 -7.459 -1.895) 7.938 3.232 ( 1.946 7.459 -1.895) 7.938 3.437 ( -3.318 -5.672 1.016) 6.649 3.437 ( -3.318 5.672 1.016) 6.649 3.558 ( 3.687 -5.899 -4.290) 8.173 3.558 ( 3.687 5.899 -4.290) 8.173 3.678 ( -1.303 -5.653 -3.864) 6.971 3.678 ( -1.303 5.653 -3.864) 6.971 3.770 ( -4.309 -6.616 -0.595) 7.918 3.770 ( -4.309 6.616 -0.595) 7.918 4.016 ( -2.709 -5.496 7.707) 9.846 4.016 ( -2.709 5.496 7.707) 9.846 4.178 ( 1.590 -2.509 6.276) 6.943 4.178 ( 1.590 2.509 6.276) 6.943 4.805 ( -0.836 -0.726 -0.037) 1.108 4.805 ( -0.836 0.726 -0.037) 1.108 4.996 ( 1.730 -0.642 0.288) 1.868 4.996 ( 1.730 0.642 0.288) 1.868 5.280 ( -0.984 -2.626 -1.778) 3.321 5.280 ( -0.984 2.626 -1.778) 3.321 5.409 ( 0.426 -0.739 1.904) 2.086 5.409 ( 0.426 0.739 1.904) 2.086 5.716 ( 2.178 -5.569 0.162) 5.982 5.716 ( 2.178 5.569 0.162) 5.982 5.999 ( -2.288 -6.007 0.578) 6.454 5.999 ( -2.288 6.007 0.578) 6.454 6.933 ( -0.526 -1.309 1.576) 2.116 6.933 ( -0.526 1.309 1.576) 2.116 7.058 ( 0.951 -2.434 -1.087) 2.830 7.058 ( 0.951 2.434 -1.087) 2.830 8.093 ( -0.198 -2.663 -0.744) 2.772 8.093 ( -0.198 2.663 -0.744) 2.772 8.194 ( -0.368 -2.184 -0.310) 2.236 8.194 ( -0.368 2.184 -0.310) 2.236 9.179 ( 0.227 -9.413 -0.330) 9.422 9.179 ( 0.227 9.413 -0.330) 9.422 9.471 ( -1.795 -1.295 -4.083) 4.645 9.471 ( -1.795 1.295 -4.083) 4.645 10.610 ( 0.330 -1.164 -0.880) 1.496 10.610 ( 0.330 1.164 -0.880) 1.496 10.954 ( -1.348 -0.240 -2.572) 2.913 10.954 ( -1.348 0.240 -2.572) 2.913 11.104 ( 1.188 -7.852 -0.024) 7.941 11.104 ( 1.188 7.852 -0.024) 7.941 11.331 ( 1.050 -2.761 -4.922) 5.740 11.331 ( 1.050 2.761 -4.922) 5.740 11.822 ( 0.689 -1.250 6.033) 6.199 11.822 ( 0.689 1.250 6.033) 6.199 11.949 ( -0.577 -1.954 0.835) 2.202 11.949 ( -0.577 1.954 0.835) 2.202 14.123 ( -1.302 -19.914 3.079) 20.192 14.123 ( -1.302 19.914 3.079) 20.192 14.610 ( -0.021 -1.998 -0.552) 2.073 14.610 ( -0.021 1.998 -0.552) 2.073 14.673 ( 0.368 -0.627 0.241) 0.766 14.673 ( 0.368 0.627 0.241) 0.766 15.412 ( 3.846 -18.428 -23.835) 30.373 15.412 ( 3.846 18.428 -23.835) 30.373 22.290 ( 1.672 -4.483 1.301) 4.959 22.290 ( 1.672 4.483 1.301) 4.959 22.565 ( 4.548 -1.806 1.844) 5.229 22.565 ( 4.548 1.806 1.844) 5.229 23.085 ( -1.912 -7.669 15.949) 17.800 23.085 ( -1.912 7.669 15.949) 17.800 23.378 ( -2.038 -4.325 10.858) 11.864 23.378 ( -2.038 4.325 10.858) 11.864 23.739 ( -1.770 -3.579 -0.864) 4.085 23.739 ( -1.770 3.579 -0.864) 4.085 24.528 ( 1.763 -9.993 -8.403) 13.175 24.528 ( 1.763 9.993 -8.403) 13.175 25.038 ( -0.924 -2.462 0.661) 2.712 25.038 ( -0.924 2.462 0.661) 2.712 25.349 ( -0.007 -1.727 1.109) 2.052 25.349 ( -0.007 1.727 1.109) 2.052 ======================= Grid point 79 (42/84) ======================= q-point: ( 0.09 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 2.611 -11.868 1.525) 12.247 0.822 ( 2.611 11.868 1.525) 12.247 1.111 ( 6.425 -15.039 6.949) 17.769 1.111 ( 6.425 15.039 6.949) 17.769 1.594 ( 7.872 -10.768 3.968) 13.916 1.594 ( 7.872 10.768 3.968) 13.916 1.699 ( 5.724 -11.526 5.818) 14.123 1.699 ( 5.724 11.526 5.818) 14.123 1.974 ( 2.267 -1.491 -1.237) 2.982 1.974 ( 2.267 1.491 -1.237) 2.982 2.054 ( 1.685 -4.464 -4.358) 6.462 2.054 ( 1.685 4.464 -4.358) 6.462 2.469 ( 4.626 -3.812 -1.117) 6.097 2.469 ( 4.626 3.812 -1.117) 6.097 2.564 ( -2.254 -3.504 1.585) 4.458 2.564 ( -2.254 3.504 1.585) 4.458 2.714 ( 4.506 -4.641 -3.827) 7.516 2.714 ( 4.506 4.641 -3.827) 7.516 2.838 ( 3.473 -5.015 -0.492) 6.119 2.838 ( 3.473 5.015 -0.492) 6.119 3.015 ( 3.378 -2.521 -6.589) 7.821 3.015 ( 3.378 2.521 -6.589) 7.821 3.257 ( 1.496 -3.434 0.834) 3.838 3.257 ( 1.496 3.434 0.834) 3.838 3.361 ( -3.904 -4.892 -0.739) 6.303 3.361 ( -3.904 4.892 -0.739) 6.303 3.575 ( -4.524 -3.186 -1.820) 5.825 3.575 ( -4.524 3.186 -1.820) 5.825 3.671 ( 2.468 -0.702 0.240) 2.577 3.671 ( 2.468 0.702 0.240) 2.577 3.739 ( 2.793 -6.573 -5.163) 8.812 3.739 ( 2.793 6.573 -5.163) 8.812 3.969 ( -2.196 -6.034 5.593) 8.516 3.969 ( -2.196 6.034 5.593) 8.516 4.220 ( 1.771 -0.854 6.136) 6.444 4.220 ( 1.771 0.854 6.136) 6.444 4.790 ( -0.341 -1.738 0.018) 1.772 4.790 ( -0.341 1.738 0.018) 1.772 5.017 ( 0.416 -2.277 -0.367) 2.343 5.017 ( 0.416 2.277 -0.367) 2.343 5.240 ( -2.647 -1.601 -1.390) 3.391 5.240 ( -2.647 1.601 -1.390) 3.391 5.411 ( -0.790 -1.418 1.591) 2.273 5.411 ( -0.790 1.418 1.591) 2.273 5.746 ( 0.454 -6.520 0.461) 6.552 5.746 ( 0.454 6.520 0.461) 6.552 5.905 ( -5.799 -3.961 -0.095) 7.024 5.905 ( -5.799 3.961 -0.095) 7.024 6.928 ( -0.044 -1.856 1.291) 2.261 6.928 ( -0.044 1.856 1.291) 2.261 7.089 ( 1.988 -2.895 -0.761) 3.593 7.089 ( 1.988 2.895 -0.761) 3.593 8.092 ( 0.213 -1.858 -0.983) 2.112 8.092 ( 0.213 1.858 -0.983) 2.112 8.203 ( 1.374 -3.187 -0.060) 3.471 8.203 ( 1.374 3.187 -0.060) 3.471 9.150 ( -2.759 -10.325 -0.282) 10.691 9.150 ( -2.759 10.325 -0.282) 10.691 9.367 ( -7.069 -7.128 -3.030) 10.486 9.367 ( -7.069 7.128 -3.030) 10.486 10.619 ( 0.607 -1.233 -0.918) 1.653 10.619 ( 0.607 1.233 -0.918) 1.653 10.887 ( -3.755 -4.480 -1.934) 6.157 10.887 ( -3.755 4.480 -1.934) 6.157 11.146 ( 1.879 -6.198 0.128) 6.477 11.146 ( 1.879 6.198 0.128) 6.477 11.355 ( 1.497 -1.371 -3.681) 4.203 11.355 ( 1.497 1.371 -3.681) 4.203 11.837 ( 0.058 -1.276 6.145) 6.276 11.837 ( 0.058 1.276 6.145) 6.276 11.974 ( 3.522 -2.564 -0.208) 4.362 11.974 ( 3.522 2.564 -0.208) 4.362 14.091 ( -1.639 -17.247 2.043) 17.444 14.091 ( -1.639 17.247 2.043) 17.444 14.557 ( -4.801 -6.031 -0.135) 7.709 14.557 ( -4.801 6.031 -0.135) 7.709 14.818 ( 14.233 -1.485 1.480) 14.386 14.818 ( 14.233 1.485 1.480) 14.386 15.611 ( 14.515 -30.071 -20.200) 39.026 15.611 ( 14.515 30.071 -20.200) 39.026 22.335 ( 2.983 -4.149 1.681) 5.379 22.335 ( 2.983 4.149 1.681) 5.379 22.706 ( 7.394 -4.949 -1.912) 9.100 22.706 ( 7.394 4.949 -1.912) 9.100 23.059 ( -1.756 -8.736 19.428) 21.374 23.059 ( -1.756 8.736 19.428) 21.374 23.353 ( -0.860 -4.084 9.022) 9.941 23.353 ( -0.860 4.084 9.022) 9.941 23.738 ( 1.890 -4.458 -3.745) 6.122 23.738 ( 1.890 4.458 -3.745) 6.122 24.518 ( -2.090 -8.510 -7.438) 11.494 24.518 ( -2.090 8.510 -7.438) 11.494 24.960 ( -6.323 -3.646 0.814) 7.344 24.960 ( -6.323 3.646 0.814) 7.344 25.265 ( -7.739 -3.298 1.149) 8.491 25.265 ( -7.739 3.298 1.149) 8.491 ======================= Grid point 81 (43/84) ======================= q-point: ( 0.18 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.969 ( 11.277 -6.544 -6.599) 14.613 0.969 ( 11.277 6.544 -6.599) 14.613 1.273 ( 9.070 -11.723 4.749) 15.564 1.273 ( 9.070 11.723 4.749) 15.564 1.667 ( 3.486 -5.332 2.677) 6.910 1.667 ( 3.486 5.332 2.677) 6.910 1.956 ( 8.861 -8.543 2.086) 12.484 1.956 ( 8.861 8.543 2.086) 12.484 2.068 ( 9.229 -6.811 1.800) 11.611 2.068 ( 9.229 6.811 1.800) 11.611 2.092 ( 5.096 -2.804 -2.234) 6.231 2.092 ( 5.096 2.804 -2.234) 6.231 2.512 ( -2.700 -3.130 0.117) 4.136 2.512 ( -2.700 3.130 0.117) 4.136 2.544 ( 1.962 -4.262 -6.204) 7.778 2.544 ( 1.962 4.262 -6.204) 7.778 2.810 ( 5.301 -2.864 -3.466) 6.951 2.810 ( 5.301 2.864 -3.466) 6.951 2.884 ( -0.893 -1.506 5.218) 5.504 2.884 ( -0.893 1.506 5.218) 5.504 3.066 ( 2.347 -2.031 -0.391) 3.129 3.066 ( 2.347 2.031 -0.391) 3.129 3.258 ( -2.262 -0.859 2.309) 3.345 3.258 ( -2.262 0.859 2.309) 3.345 3.357 ( 4.826 -2.917 -5.549) 7.911 3.357 ( 4.826 2.917 -5.549) 7.911 3.500 ( -1.416 -4.271 2.660) 5.227 3.500 ( -1.416 4.271 2.660) 5.227 3.680 ( -1.252 -3.146 0.206) 3.392 3.680 ( -1.252 3.146 0.206) 3.392 3.838 ( 4.513 -3.370 -2.950) 6.358 3.838 ( 4.513 3.370 -2.950) 6.358 3.956 ( 1.805 -3.046 0.847) 3.641 3.956 ( 1.805 3.046 0.847) 3.641 4.248 ( 0.453 -2.652 4.519) 5.259 4.248 ( 0.453 2.652 4.519) 5.259 4.800 ( 1.481 -0.772 -0.261) 1.690 4.800 ( 1.481 0.772 -0.261) 1.690 5.023 ( 0.112 -3.920 -1.945) 4.377 5.023 ( 0.112 3.920 -1.945) 4.377 5.180 ( -2.891 -1.900 -0.652) 3.520 5.180 ( -2.891 1.900 -0.652) 3.520 5.360 ( -4.570 -2.979 1.511) 5.661 5.360 ( -4.570 2.979 1.511) 5.661 5.718 ( -2.340 -3.642 -0.932) 4.428 5.718 ( -2.340 3.642 -0.932) 4.428 5.839 ( -0.324 -4.078 0.760) 4.161 5.839 ( -0.324 4.078 0.760) 4.161 6.935 ( 0.623 -2.082 1.173) 2.469 6.935 ( 0.623 2.082 1.173) 2.469 7.131 ( 2.168 -3.849 -0.799) 4.489 7.131 ( 2.168 3.849 -0.799) 4.489 8.102 ( 0.870 -1.794 -1.224) 2.339 8.102 ( 0.870 1.794 -1.224) 2.339 8.244 ( 2.475 -3.746 0.510) 4.519 8.244 ( 2.475 3.746 0.510) 4.519 9.088 ( -2.912 -10.050 -0.141) 10.464 9.088 ( -2.912 10.050 -0.141) 10.464 9.222 ( -6.680 -9.925 -1.445) 12.051 9.222 ( -6.680 9.925 -1.445) 12.051 10.633 ( 0.859 -2.529 -1.256) 2.952 10.633 ( 0.859 2.529 -1.256) 2.952 10.823 ( -2.387 -5.606 -1.295) 6.229 10.823 ( -2.387 5.606 -1.295) 6.229 11.168 ( 0.462 -5.566 0.451) 5.603 11.168 ( 0.462 5.566 0.451) 5.603 11.384 ( 1.451 -0.486 -1.605) 2.218 11.384 ( 1.451 0.486 -1.605) 2.218 11.845 ( 0.804 -0.528 4.344) 4.449 11.845 ( 0.804 0.528 4.344) 4.449 12.081 ( 6.612 -2.641 -0.248) 7.125 12.081 ( 6.612 2.641 -0.248) 7.125 14.071 ( -0.395 -13.705 1.878) 13.838 14.071 ( -0.395 13.705 1.878) 13.838 14.453 ( -5.271 -10.871 -0.381) 12.087 14.453 ( -5.271 10.871 -0.381) 12.087 15.195 ( 21.835 -2.807 2.364) 22.141 15.195 ( 21.835 2.807 2.364) 22.141 15.908 ( 15.598 -24.693 -14.029) 32.401 15.908 ( 15.598 24.693 -14.029) 32.401 22.415 ( 4.645 -2.932 2.140) 5.895 22.415 ( 4.645 2.932 2.140) 5.895 22.805 ( 2.273 -4.613 0.516) 5.168 22.805 ( 2.273 4.613 0.516) 5.168 23.043 ( -0.969 -7.143 14.729) 16.398 23.043 ( -0.969 7.143 14.729) 16.398 23.363 ( 1.258 -3.248 3.260) 4.771 23.363 ( 1.258 3.248 3.260) 4.771 23.803 ( 4.502 -3.208 -4.311) 7.010 23.803 ( 4.502 3.208 -4.311) 7.010 24.446 ( -4.109 -6.431 -6.106) 9.773 24.446 ( -4.109 6.431 -6.106) 9.773 24.813 ( -7.815 -4.836 0.963) 9.240 24.813 ( -7.815 4.836 0.963) 9.240 25.072 ( -10.792 -3.696 1.168) 11.467 25.072 ( -10.792 3.696 1.168) 11.467 ======================= Grid point 83 (44/84) ======================= q-point: ( 0.27 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 15.053 -3.013 -10.985) 18.877 1.235 ( 15.053 3.013 -10.985) 18.877 1.473 ( 10.098 -8.104 4.562) 13.728 1.473 ( 10.098 8.104 4.562) 13.728 1.763 ( 5.373 -4.698 0.661) 7.168 1.763 ( 5.373 4.698 0.661) 7.168 2.046 ( 2.660 -1.932 0.783) 3.379 2.046 ( 2.660 1.932 0.783) 3.379 2.126 ( 3.495 -5.099 -8.295) 10.345 2.126 ( 3.495 5.099 -8.295) 10.345 2.332 ( 5.735 -2.535 3.549) 7.205 2.332 ( 5.735 2.535 3.549) 7.205 2.456 ( -3.335 -9.126 -2.393) 10.006 2.456 ( -3.335 9.126 -2.393) 10.006 2.585 ( 4.966 -3.543 -2.250) 6.502 2.585 ( 4.966 3.543 -2.250) 6.502 2.810 ( -4.287 -2.699 3.436) 6.121 2.810 ( -4.287 2.699 3.436) 6.121 2.932 ( 5.380 -3.052 1.712) 6.418 2.932 ( 5.380 3.052 1.712) 6.418 3.067 ( -0.880 -4.517 4.083) 6.152 3.067 ( -0.880 4.517 4.083) 6.152 3.228 ( -2.163 -3.479 0.424) 4.119 3.228 ( -2.163 3.479 0.424) 4.119 3.462 ( 4.894 -3.268 -4.267) 7.269 3.462 ( 4.894 3.268 -4.267) 7.269 3.538 ( 3.903 -3.937 3.368) 6.486 3.538 ( 3.903 3.937 3.368) 6.486 3.644 ( -1.362 -3.101 0.567) 3.434 3.644 ( -1.362 3.101 0.567) 3.434 3.869 ( -0.023 -2.265 0.874) 2.428 3.869 ( -0.023 2.265 0.874) 2.428 4.059 ( 6.758 -1.287 -2.730) 7.402 4.059 ( 6.758 1.287 -2.730) 7.402 4.239 ( -1.417 -6.243 1.980) 6.701 4.239 ( -1.417 6.243 1.980) 6.701 4.845 ( 2.430 -4.820 -0.197) 5.401 4.845 ( 2.430 4.820 -0.197) 5.401 4.999 ( -2.410 -5.099 -2.447) 6.148 4.999 ( -2.410 5.099 -2.447) 6.148 5.130 ( -2.585 -5.925 -0.000) 6.464 5.130 ( -2.585 5.925 -0.000) 6.464 5.267 ( -2.881 -3.672 0.110) 4.669 5.267 ( -2.881 3.672 0.110) 4.669 5.702 ( 0.690 -1.181 -0.486) 1.452 5.702 ( 0.690 1.181 -0.486) 1.452 5.856 ( 1.497 -3.851 0.758) 4.200 5.856 ( 1.497 3.851 0.758) 4.200 6.952 ( 1.005 -2.117 1.167) 2.618 6.952 ( 1.005 2.117 1.167) 2.618 7.171 ( 1.839 -4.978 -1.216) 5.444 7.171 ( 1.839 4.978 -1.216) 5.444 8.124 ( 1.349 -2.140 -0.954) 2.704 8.124 ( 1.349 2.140 -0.954) 2.704 8.294 ( 2.173 -4.021 0.759) 4.633 8.294 ( 2.173 4.021 0.759) 4.633 9.041 ( -1.727 -8.241 0.242) 8.423 9.041 ( -1.727 8.241 0.242) 8.423 9.107 ( -4.607 -9.063 -0.976) 10.213 9.107 ( -4.607 9.063 -0.976) 10.213 10.650 ( 0.783 -2.264 -1.154) 2.659 10.650 ( 0.783 2.264 -1.154) 2.659 10.787 ( -1.208 -4.130 -0.978) 4.413 10.787 ( -1.208 4.130 -0.978) 4.413 11.173 ( 0.174 -4.225 -0.034) 4.228 11.173 ( 0.174 4.225 -0.034) 4.228 11.407 ( 0.822 -0.734 0.338) 1.153 11.407 ( 0.822 0.734 0.338) 1.153 11.879 ( 2.221 -0.870 2.606) 3.533 11.879 ( 2.221 0.870 2.606) 3.533 12.217 ( 6.460 -2.433 -0.157) 6.905 12.217 ( 6.460 2.433 -0.157) 6.905 14.076 ( 0.711 -11.390 1.915) 11.572 14.076 ( 0.711 11.390 1.915) 11.572 14.356 ( -4.018 -11.748 -1.168) 12.471 14.356 ( -4.018 11.748 -1.168) 12.471 15.646 ( 21.720 -3.384 2.326) 22.105 15.646 ( 21.720 3.384 2.326) 22.105 16.201 ( 13.932 -16.059 -8.506) 22.898 16.201 ( 13.932 16.059 -8.506) 22.898 22.513 ( 4.667 -1.334 2.682) 5.546 22.513 ( 4.667 1.334 2.682) 5.546 22.816 ( -0.719 -3.563 5.563) 6.645 22.816 ( -0.719 3.563 5.563) 6.645 23.038 ( -0.228 -4.927 5.953) 7.731 23.038 ( -0.228 4.927 5.953) 7.731 23.386 ( 0.350 -2.156 -1.100) 2.446 23.386 ( 0.350 2.156 -1.100) 2.446 23.898 ( 4.913 -1.704 -4.252) 6.717 23.898 ( 4.913 1.704 -4.252) 6.717 24.365 ( -3.243 -4.714 -4.259) 7.133 24.365 ( -3.243 4.714 -4.259) 7.133 24.663 ( -6.888 -4.535 1.034) 8.312 24.663 ( -6.888 4.535 1.034) 8.312 24.859 ( -9.970 -3.012 1.301) 10.496 24.859 ( -9.970 3.012 1.301) 10.496 ======================= Grid point 85 (45/84) ======================= q-point: ( 0.36 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( 14.709 -1.523 -12.226) 19.187 1.533 ( 14.709 1.523 -12.226) 19.187 1.662 ( 7.617 -5.045 2.249) 9.409 1.662 ( 7.617 5.045 2.249) 9.409 1.849 ( 2.839 -2.878 -1.411) 4.282 1.849 ( 2.839 2.878 -1.411) 4.282 2.096 ( 3.083 -7.770 -1.960) 8.586 2.096 ( 3.083 7.770 -1.960) 8.586 2.195 ( 1.854 -6.673 -7.596) 10.280 2.195 ( 1.854 6.673 -7.596) 10.280 2.329 ( -2.362 -2.892 -0.272) 3.744 2.329 ( -2.362 2.892 -0.272) 3.744 2.396 ( -1.283 -4.562 -1.725) 5.043 2.396 ( -1.283 4.562 -1.725) 5.043 2.676 ( 0.862 -1.166 4.894) 5.104 2.676 ( 0.862 1.166 4.894) 5.104 2.717 ( -3.700 -1.649 2.827) 4.939 2.717 ( -3.700 1.649 2.827) 4.940 3.011 ( 1.786 -1.619 -0.408) 2.444 3.011 ( 1.786 1.619 -0.408) 2.444 3.101 ( 0.822 -1.438 6.201) 6.419 3.101 ( 0.822 1.438 6.201) 6.419 3.198 ( 2.352 -3.903 1.536) 4.809 3.198 ( 2.352 3.903 1.536) 4.809 3.478 ( -1.998 -3.106 2.449) 4.432 3.478 ( -1.998 3.106 2.449) 4.432 3.620 ( 2.523 -1.746 -3.505) 4.658 3.620 ( 2.523 1.746 -3.505) 4.658 3.658 ( 2.105 -3.090 2.306) 4.393 3.658 ( 2.105 3.090 2.306) 4.393 3.868 ( 0.094 -3.399 1.376) 3.669 3.868 ( 0.094 3.399 1.376) 3.669 4.162 ( 1.985 -3.117 -2.402) 4.407 4.162 ( 1.985 3.117 -2.402) 4.407 4.229 ( 1.988 -5.386 0.869) 5.807 4.229 ( 1.988 5.386 0.869) 5.807 4.864 ( -0.787 -6.533 0.608) 6.608 4.864 ( -0.787 6.533 0.608) 6.608 4.940 ( -2.866 -3.523 -2.312) 5.096 4.940 ( -2.866 3.523 -2.312) 5.096 5.096 ( 0.225 -4.976 -0.366) 4.995 5.096 ( 0.225 4.976 -0.366) 4.995 5.253 ( 0.349 -1.321 -1.012) 1.701 5.253 ( 0.349 1.321 -1.012) 1.701 5.725 ( 1.263 -1.764 -0.055) 2.170 5.725 ( 1.263 1.764 -0.055) 2.170 5.896 ( 2.295 -4.517 0.684) 5.113 5.896 ( 2.295 4.517 0.684) 5.113 6.973 ( 0.874 -1.643 1.304) 2.273 6.973 ( 0.874 1.643 1.304) 2.273 7.201 ( 1.159 -5.892 -1.989) 6.326 7.201 ( 1.159 5.892 -1.989) 6.326 8.151 ( 1.329 -2.649 -0.321) 2.981 8.151 ( 1.329 2.649 -0.321) 2.981 8.327 ( 1.127 -3.826 0.718) 4.053 8.327 ( 1.127 3.826 0.718) 4.053 9.016 ( -1.499 -5.455 1.931) 5.977 9.016 ( -1.499 5.455 1.931) 5.977 9.038 ( -1.604 -3.453 -2.372) 4.486 9.038 ( -1.604 3.453 -2.372) 4.486 10.658 ( -0.009 -2.448 -0.422) 2.484 10.658 ( -0.009 2.448 -0.422) 2.484 10.773 ( -0.086 -2.375 -1.119) 2.627 10.773 ( -0.086 2.375 -1.119) 2.627 11.180 ( 0.592 -2.214 -1.012) 2.505 11.180 ( 0.592 2.214 -1.012) 2.505 11.415 ( -0.090 -1.274 1.710) 2.135 11.415 ( -0.090 1.274 1.710) 2.135 11.930 ( 2.438 -1.353 1.746) 3.290 11.930 ( 2.438 1.353 1.746) 3.290 12.327 ( 4.222 -2.114 -0.343) 4.734 12.327 ( 4.222 2.114 -0.343) 4.734 14.096 ( 0.989 -10.321 1.656) 10.500 14.096 ( 0.989 10.321 1.656) 10.500 14.294 ( -2.124 -11.221 -1.421) 11.508 14.294 ( -2.124 11.221 -1.421) 11.508 16.029 ( 15.402 -3.284 1.854) 15.856 16.029 ( 15.402 3.284 1.854) 15.856 16.439 ( 9.838 -9.563 -4.888) 14.565 16.439 ( 9.838 9.563 -4.888) 14.565 22.595 ( 2.929 -0.536 3.498) 4.594 22.595 ( 2.929 0.536 3.498) 4.594 22.801 ( -0.964 -2.528 6.567) 7.103 22.801 ( -0.964 2.528 6.567) 7.103 23.044 ( 0.602 -3.824 1.198) 4.052 23.044 ( 0.602 3.824 1.198) 4.052 23.368 ( -1.660 -2.082 -3.484) 4.385 23.368 ( -1.660 2.082 -3.484) 4.385 23.983 ( 3.665 -1.102 -4.430) 5.854 23.983 ( 3.665 1.102 -4.430) 5.854 24.315 ( -1.681 -3.572 -2.626) 4.741 24.315 ( -1.681 3.572 -2.626) 4.741 24.547 ( -4.540 -3.046 1.773) 5.747 24.547 ( -4.540 3.046 1.773) 5.747 24.692 ( -6.416 -2.322 1.162) 6.922 24.692 ( -6.416 2.322 1.162) 6.922 ======================= Grid point 87 (46/84) ======================= q-point: ( 0.45 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 1.173 -0.914 -4.805) 5.029 1.715 ( 1.173 0.914 -4.805) 5.029 1.805 ( 8.292 -1.120 -10.310) 13.278 1.805 ( 8.292 1.120 -10.310) 13.278 1.897 ( 2.027 -6.267 -1.998) 6.883 1.897 ( 2.027 6.267 -1.998) 6.883 2.112 ( -1.472 -3.515 -4.958) 6.254 2.112 ( -1.472 3.515 -4.958) 6.254 2.212 ( 3.092 -5.196 -0.084) 6.047 2.212 ( 3.092 5.196 -0.084) 6.047 2.326 ( -0.211 -2.924 -2.514) 3.862 2.326 ( -0.211 2.924 -2.514) 3.862 2.384 ( -0.166 -1.539 -2.040) 2.560 2.384 ( -0.166 1.539 -2.040) 2.560 2.610 ( -3.157 -1.759 6.077) 7.071 2.610 ( -3.157 1.759 6.077) 7.071 2.720 ( 0.741 -3.956 0.579) 4.066 2.720 ( 0.741 3.956 0.579) 4.066 3.033 ( 0.131 -3.890 3.782) 5.427 3.033 ( 0.131 3.890 3.782) 5.427 3.062 ( -2.423 -2.359 4.149) 5.353 3.062 ( -2.423 2.359 4.149) 5.353 3.279 ( 1.909 -1.370 3.379) 4.116 3.279 ( 1.909 1.370 3.379) 4.116 3.451 ( -0.147 -2.293 2.590) 3.463 3.451 ( -0.147 2.293 2.590) 3.463 3.627 ( -1.162 -1.779 0.390) 2.160 3.627 ( -1.162 1.779 0.390) 2.160 3.686 ( 0.656 -2.104 -1.511) 2.673 3.686 ( 0.656 2.104 -1.511) 2.673 3.871 ( -0.319 -3.968 0.493) 4.011 3.871 ( -0.319 3.968 0.493) 4.011 4.172 ( 0.596 -4.258 -1.121) 4.443 4.172 ( 0.596 4.258 -1.121) 4.443 4.287 ( 2.269 -4.463 0.699) 5.055 4.287 ( 2.269 4.463 0.699) 5.055 4.839 ( -0.962 -1.203 0.670) 1.680 4.839 ( -0.962 1.203 0.670) 1.680 4.906 ( -0.060 -5.229 -1.589) 5.466 4.906 ( -0.060 5.229 -1.589) 5.466 5.115 ( 0.856 -2.330 -0.469) 2.526 5.115 ( 0.856 2.330 -0.469) 2.526 5.253 ( -0.400 -1.596 -1.961) 2.560 5.253 ( -0.400 1.596 -1.961) 2.560 5.743 ( 0.442 -2.075 0.108) 2.124 5.743 ( 0.442 2.075 0.108) 2.124 5.937 ( 1.434 -4.587 0.805) 4.873 5.937 ( 1.434 4.587 0.805) 4.873 6.987 ( 0.387 -0.660 1.536) 1.716 6.987 ( 0.387 0.660 1.536) 1.716 7.212 ( -0.009 -6.298 -2.796) 6.890 7.212 ( -0.009 6.298 -2.796) 6.890 8.174 ( 0.886 -3.242 0.276) 3.372 8.174 ( 0.886 3.242 0.276) 3.372 8.342 ( 0.318 -3.150 0.580) 3.219 8.342 ( 0.318 3.150 0.580) 3.219 8.976 ( -1.901 -7.088 0.429) 7.351 8.976 ( -1.900 7.088 0.429) 7.351 9.040 ( 1.071 -6.363 -0.767) 6.498 9.040 ( 1.071 6.363 -0.767) 6.498 10.649 ( -0.759 -6.572 -0.064) 6.616 10.649 ( -0.759 6.572 -0.064) 6.616 10.779 ( 0.617 -7.592 -1.076) 7.693 10.779 ( 0.617 7.592 -1.076) 7.693 11.194 ( 0.824 -0.269 -1.863) 2.055 11.194 ( 0.824 0.269 -1.863) 2.055 11.407 ( -0.751 -1.767 2.484) 3.140 11.407 ( -0.751 1.767 2.484) 3.140 11.972 ( 1.448 -1.577 1.653) 2.704 11.972 ( 1.448 1.577 1.653) 2.704 12.380 ( 0.987 -1.843 -0.748) 2.221 12.380 ( 0.987 1.843 -0.748) 2.221 14.111 ( 0.286 -10.657 1.296) 10.739 14.111 ( 0.286 10.657 1.296) 10.739 14.267 ( -0.534 -11.391 -1.258) 11.473 14.267 ( -0.534 11.391 -1.258) 11.473 16.243 ( 5.355 -2.765 1.449) 6.199 16.243 ( 5.355 2.765 1.449) 6.199 16.576 ( 3.787 -5.895 -3.136) 7.676 16.576 ( 3.787 5.895 -3.136) 7.676 22.625 ( -0.248 -1.901 4.034) 4.466 22.625 ( -0.248 1.901 4.034) 4.466 22.791 ( -0.463 -0.962 5.845) 5.942 22.791 ( -0.463 0.962 5.845) 5.942 23.060 ( 0.823 -3.326 -0.706) 3.498 23.060 ( 0.823 3.326 -0.706) 3.498 23.342 ( 0.029 -1.264 -3.788) 3.994 23.342 ( 0.029 1.264 -3.788) 3.994 24.033 ( 1.492 -1.308 -4.973) 5.354 24.033 ( 1.492 1.309 -4.973) 5.354 24.282 ( -1.612 -2.838 -1.670) 3.666 24.282 ( -1.612 2.838 -1.670) 3.666 24.489 ( -1.431 -1.180 2.727) 3.298 24.489 ( -1.431 1.180 2.727) 3.298 24.610 ( -1.722 -1.463 0.715) 2.371 24.610 ( -1.722 1.463 0.715) 2.371 ======================= Grid point 89 (47/84) ======================= q-point: (-0.45 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( -3.500 -3.590 -7.887) 9.346 1.688 ( -3.500 3.590 -7.887) 9.346 1.789 ( -4.497 -4.943 -4.698) 8.168 1.789 ( -4.497 4.943 -4.698) 8.168 1.980 ( 2.591 -5.142 -4.844) 7.525 1.980 ( 2.591 5.142 -4.844) 7.525 2.120 ( 0.918 -3.038 -2.574) 4.086 2.120 ( 0.918 3.038 -2.574) 4.086 2.237 ( -2.072 -5.355 0.966) 5.823 2.237 ( -2.072 5.355 0.966) 5.823 2.318 ( 1.831 -6.527 -2.295) 7.157 2.318 ( 1.831 6.527 -2.295) 7.157 2.368 ( -1.401 -3.040 -2.649) 4.268 2.368 ( -1.401 3.040 -2.649) 4.268 2.607 ( 2.551 -0.832 1.819) 3.241 2.607 ( 2.551 0.832 1.819) 3.241 2.741 ( 1.648 -4.953 -0.895) 5.297 2.741 ( 1.648 4.953 -0.895) 5.297 2.980 ( -4.638 -2.839 12.115) 13.280 2.980 ( -4.638 2.839 12.115) 13.280 3.068 ( 1.358 -3.608 0.161) 3.858 3.068 ( 1.358 3.608 0.161) 3.858 3.253 ( -4.057 -1.607 2.490) 5.024 3.253 ( -4.057 1.607 2.490) 5.024 3.471 ( 1.097 -2.798 2.619) 3.986 3.471 ( 1.097 2.798 2.619) 3.986 3.588 ( -2.365 -1.479 -1.020) 2.970 3.588 ( -2.365 1.479 -1.020) 2.970 3.699 ( 0.830 -2.939 -0.453) 3.088 3.699 ( 0.830 2.939 -0.453) 3.088 3.849 ( -1.507 -2.493 -0.282) 2.927 3.849 ( -1.507 2.493 -0.282) 2.927 4.190 ( 0.951 -1.338 -1.124) 1.990 4.190 ( 0.951 1.338 -1.124) 1.990 4.308 ( -0.264 -6.054 1.464) 6.234 4.308 ( -0.264 6.054 1.464) 6.234 4.840 ( 1.044 -1.872 0.718) 2.260 4.840 ( 1.044 1.872 0.718) 2.260 4.936 ( 3.017 -5.479 -0.742) 6.299 4.936 ( 3.017 5.479 -0.742) 6.299 5.113 ( -1.149 -0.881 -0.346) 1.489 5.113 ( -1.149 0.881 -0.346) 1.489 5.234 ( -1.269 -3.033 -2.755) 4.290 5.234 ( -1.269 3.033 -2.755) 4.290 5.743 ( -0.446 -2.277 0.180) 2.327 5.743 ( -0.446 2.277 0.180) 2.327 5.944 ( -0.904 -3.630 0.908) 3.850 5.944 ( -0.904 3.630 0.908) 3.850 6.991 ( -0.132 -0.532 1.767) 1.851 6.991 ( -0.132 0.532 1.767) 1.851 7.196 ( -1.353 -6.056 -3.264) 7.012 7.196 ( -1.353 6.056 -3.264) 7.012 8.185 ( 0.149 -3.833 0.426) 3.859 8.185 ( 0.149 3.833 0.426) 3.859 8.343 ( -0.275 -2.707 0.645) 2.797 8.343 ( -0.275 2.707 0.645) 2.797 8.949 ( -0.649 -5.298 -0.263) 5.344 8.949 ( -0.649 5.298 -0.263) 5.344 9.068 ( 1.682 -5.222 -0.043) 5.486 9.068 ( 1.682 5.222 -0.043) 5.486 10.632 ( -0.821 -8.340 -0.501) 8.395 10.632 ( -0.821 8.340 -0.501) 8.395 10.792 ( 0.724 -10.610 -0.653) 10.655 10.792 ( 0.724 10.610 -0.653) 10.655 11.206 ( 0.444 -1.572 -2.174) 2.719 11.206 ( 0.444 1.572 -2.174) 2.719 11.391 ( -1.031 -2.306 2.677) 3.681 11.391 ( -1.031 2.306 2.677) 3.681 11.986 ( -0.181 -1.540 2.007) 2.536 11.986 ( -0.181 1.540 2.007) 2.536 12.366 ( -2.247 -1.720 -1.117) 3.042 12.366 ( -2.247 1.720 -1.117) 3.042 14.106 ( -0.822 -11.664 1.142) 11.748 14.106 ( -0.822 11.664 1.142) 11.748 14.268 ( 0.693 -12.391 -1.177) 12.466 14.268 ( 0.693 12.391 -1.177) 12.466 16.238 ( -5.891 -2.188 1.298) 6.417 16.238 ( -5.891 2.188 1.298) 6.417 16.581 ( -3.070 -5.186 -2.967) 6.717 16.581 ( -3.070 5.186 -2.967) 6.717 22.594 ( -2.852 -2.485 3.295) 5.016 22.594 ( -2.852 2.485 3.295) 5.016 22.781 ( -1.071 -0.144 5.454) 5.560 22.781 ( -1.071 0.144 5.454) 5.560 23.070 ( 0.292 -3.178 -0.903) 3.317 23.070 ( 0.292 3.178 -0.903) 3.317 23.382 ( 4.019 -1.530 -2.101) 4.786 23.382 ( 4.019 1.530 -2.101) 4.786 24.040 ( -0.271 -1.868 -5.451) 5.769 24.040 ( -0.271 1.868 -5.451) 5.769 24.244 ( -2.117 -2.259 -1.531) 3.454 24.244 ( -2.117 2.259 -1.531) 3.454 24.495 ( 1.968 -1.232 2.433) 3.363 24.495 ( 1.968 1.232 2.433) 3.363 24.619 ( 2.349 -1.077 0.865) 2.725 24.619 ( 2.349 1.077 0.865) 2.725 ======================= Grid point 91 (48/84) ======================= q-point: (-0.36 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -8.257 -3.266 -2.797) 9.310 1.552 ( -8.257 3.266 -2.797) 9.310 1.720 ( -3.733 -3.095 -9.148) 10.354 1.720 ( -3.733 3.095 -9.148) 10.354 1.927 ( -6.084 -8.408 -1.102) 10.436 1.927 ( -6.084 8.408 -1.102) 10.436 2.098 ( -2.948 -2.685 4.483) 6.000 2.098 ( -2.948 2.685 4.483) 6.000 2.193 ( -2.106 -4.721 -1.774) 5.465 2.193 ( -2.106 4.721 -1.774) 5.465 2.317 ( -2.092 -1.983 -3.804) 4.772 2.317 ( -2.092 1.983 -3.804) 4.772 2.399 ( 4.775 -5.857 -4.480) 8.785 2.399 ( 4.775 5.857 -4.480) 8.785 2.680 ( 3.225 -1.126 -1.949) 3.933 2.680 ( 3.225 1.126 -1.949) 3.933 2.762 ( -1.262 -4.235 2.362) 5.011 2.762 ( -1.262 4.235 2.362) 5.011 2.902 ( -2.544 -2.312 8.610) 9.271 2.902 ( -2.544 2.312 8.610) 9.271 3.061 ( -3.979 -2.375 2.193) 5.126 3.061 ( -3.979 2.375 2.193) 5.126 3.181 ( -0.501 -7.675 1.831) 7.907 3.181 ( -0.501 7.675 1.831) 7.907 3.438 ( -5.051 -1.875 -1.642) 5.633 3.438 ( -5.051 1.875 -1.642) 5.633 3.568 ( 0.792 -3.407 0.769) 3.581 3.568 ( 0.792 3.407 0.769) 3.581 3.713 ( 0.493 -0.882 0.160) 1.023 3.713 ( 0.493 0.882 0.160) 1.023 3.829 ( -0.414 -1.442 0.129) 1.506 3.829 ( -0.414 1.442 0.129) 1.506 4.197 ( -0.438 -1.646 -1.063) 2.008 4.197 ( -0.438 1.646 -1.063) 2.008 4.282 ( -2.146 -5.901 1.403) 6.434 4.282 ( -2.146 5.901 1.403) 6.434 4.874 ( 1.644 -2.794 1.057) 3.410 4.874 ( 1.644 2.794 1.057) 3.410 5.018 ( 4.245 -4.718 -0.198) 6.349 5.018 ( 4.245 4.718 -0.198) 6.349 5.082 ( -0.628 -4.149 -0.198) 4.201 5.082 ( -0.628 4.149 -0.198) 4.201 5.201 ( -1.703 -4.591 -3.211) 5.856 5.201 ( -1.703 4.591 -3.211) 5.856 5.728 ( -1.002 -2.995 0.201) 3.164 5.728 ( -1.002 2.995 0.201) 3.164 5.908 ( -2.363 -2.591 0.872) 3.613 5.908 ( -2.363 2.591 0.872) 3.613 6.985 ( -0.544 -1.393 1.979) 2.480 6.985 ( -0.544 1.393 1.979) 2.480 7.158 ( -2.059 -5.213 -3.268) 6.488 7.158 ( -2.059 5.213 -3.268) 6.488 8.179 ( -0.757 -4.254 0.045) 4.321 8.179 ( -0.757 4.254 0.045) 4.321 8.329 ( -1.155 -2.830 0.893) 3.185 8.329 ( -1.155 2.830 0.893) 3.185 8.954 ( 1.264 -3.905 -0.608) 4.149 8.954 ( 1.264 3.905 -0.608) 4.149 9.108 ( 2.382 -3.749 0.332) 4.454 9.108 ( 2.382 3.749 0.332) 4.454 10.617 ( -0.541 -8.253 -1.292) 8.371 10.617 ( -0.541 8.253 -1.292) 8.371 10.808 ( 0.887 -11.566 -0.220) 11.602 10.808 ( 0.887 11.566 -0.220) 11.602 11.206 ( -0.408 -2.413 -1.684) 2.971 11.206 ( -0.408 2.413 -1.684) 2.971 11.371 ( -1.074 -2.806 1.982) 3.600 11.371 ( -1.074 2.806 1.982) 3.600 11.967 ( -1.850 -1.284 2.629) 3.461 11.967 ( -1.850 1.284 2.629) 3.461 12.293 ( -4.719 -1.773 -1.260) 5.196 12.293 ( -4.719 1.773 -1.260) 5.196 14.087 ( -0.926 -12.671 1.439) 12.786 14.087 ( -0.926 12.671 1.439) 12.786 14.291 ( 1.590 -13.562 -1.459) 13.733 14.291 ( 1.590 13.562 -1.459) 13.733 16.016 ( -15.899 -1.971 1.397) 16.082 16.016 ( -15.899 1.971 1.397) 16.082 16.453 ( -9.334 -7.430 -4.429) 12.726 16.453 ( -9.334 7.430 -4.429) 12.726 22.521 ( -4.507 -2.702 2.116) 5.665 22.521 ( -4.507 2.702 2.116) 5.665 22.753 ( -2.125 -0.843 5.151) 5.636 22.753 ( -2.125 0.843 5.151) 5.636 23.078 ( 0.661 -3.248 0.580) 3.365 23.078 ( 0.661 3.248 0.580) 3.365 23.472 ( 4.078 -2.821 0.858) 5.032 23.472 ( 4.078 2.821 0.858) 5.032 24.018 ( -1.591 -2.559 -4.668) 5.556 24.018 ( -1.591 2.559 -4.668) 5.556 24.204 ( -1.037 -1.713 -3.595) 4.115 24.204 ( -1.037 1.713 -3.595) 4.115 24.572 ( 5.512 -1.847 1.504) 6.005 24.572 ( 5.512 1.847 1.504) 6.005 24.702 ( 5.879 -1.112 1.296) 6.122 24.702 ( 5.879 1.112 1.296) 6.122 ======================= Grid point 93 (49/84) ======================= q-point: (-0.27 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( -8.060 -8.216 1.646) 11.627 1.386 ( -8.060 8.216 1.646) 11.627 1.571 ( -10.078 -7.922 -4.696) 13.652 1.571 ( -10.078 7.922 -4.696) 13.652 1.812 ( -4.910 -4.808 -0.048) 6.873 1.812 ( -4.910 4.808 -0.048) 6.873 2.012 ( -6.388 -3.623 3.945) 8.336 2.012 ( -6.388 3.623 3.945) 8.336 2.116 ( -5.359 -2.582 -5.364) 8.010 2.116 ( -5.359 2.582 -5.364) 8.010 2.291 ( -0.863 -1.477 -0.289) 1.735 2.291 ( -0.863 1.477 -0.289) 1.735 2.485 ( 2.795 -4.401 -3.031) 6.030 2.485 ( 2.795 4.401 -3.031) 6.030 2.646 ( -5.308 -3.184 -1.651) 6.406 2.646 ( -5.308 3.184 -1.651) 6.406 2.714 ( -3.018 -1.044 0.986) 3.343 2.714 ( -3.018 1.044 0.986) 3.343 2.862 ( -2.100 -3.973 6.017) 7.510 2.862 ( -2.100 3.973 6.017) 7.510 3.023 ( 1.818 -9.553 -0.573) 9.741 3.023 ( 1.818 9.553 -0.573) 9.741 3.177 ( -4.483 -5.987 -0.300) 7.485 3.177 ( -4.483 5.987 -0.300) 7.485 3.337 ( -1.000 -2.421 -1.712) 3.129 3.337 ( -1.000 2.421 -1.712) 3.129 3.593 ( 1.066 -2.107 0.784) 2.488 3.593 ( 1.066 2.107 0.784) 2.488 3.724 ( 0.753 -0.410 0.696) 1.104 3.724 ( 0.753 0.410 0.696) 1.104 3.819 ( -0.853 -1.215 0.197) 1.498 3.819 ( -0.853 1.215 0.197) 1.498 4.157 ( -3.470 -2.157 -0.245) 4.093 4.157 ( -3.470 2.157 -0.245) 4.093 4.247 ( -1.072 -1.145 1.732) 2.336 4.247 ( -1.072 1.145 1.732) 2.336 4.866 ( -2.804 -2.962 1.039) 4.209 4.866 ( -2.804 2.962 1.039) 4.209 5.053 ( 0.748 -7.267 -2.072) 7.594 5.053 ( 0.748 7.267 -2.072) 7.594 5.141 ( 2.548 -3.836 1.092) 4.733 5.141 ( 2.548 3.836 1.092) 4.733 5.196 ( 3.942 -1.694 -2.371) 4.902 5.196 ( 3.942 1.694 -2.371) 4.902 5.702 ( -1.662 -2.945 -0.220) 3.389 5.702 ( -1.662 2.945 -0.220) 3.389 5.875 ( -0.272 -3.590 1.123) 3.772 5.875 ( -0.272 3.590 1.123) 3.772 6.972 ( -0.830 -1.575 2.148) 2.790 6.972 ( -0.830 1.575 2.148) 2.790 7.115 ( -1.915 -3.927 -2.916) 5.253 7.115 ( -1.915 3.927 -2.916) 5.253 8.157 ( -1.429 -4.355 -0.559) 4.618 8.157 ( -1.429 4.355 -0.559) 4.618 8.297 ( -2.081 -2.741 1.024) 3.590 8.297 ( -2.081 2.741 1.024) 3.590 8.998 ( 2.994 -2.048 -0.684) 3.691 8.998 ( 2.994 2.048 -0.684) 3.691 9.173 ( 4.278 -1.394 0.375) 4.515 9.173 ( 4.278 1.394 0.375) 4.515 10.609 ( -0.173 -6.766 -1.932) 7.039 10.609 ( -0.173 6.766 -1.932) 7.039 10.830 ( 1.315 -10.711 -0.052) 10.792 10.830 ( 1.315 10.711 -0.052) 10.792 11.188 ( -1.261 -2.332 -0.633) 2.725 11.188 ( -1.261 2.332 -0.633) 2.725 11.351 ( -0.935 -3.446 0.264) 3.580 11.351 ( -0.935 3.446 0.264) 3.580 11.919 ( -2.949 -0.850 3.535) 4.682 11.919 ( -2.949 0.850 3.535) 4.682 12.183 ( -5.885 -1.969 -1.179) 6.317 12.183 ( -5.885 1.969 -1.179) 6.317 14.080 ( 0.282 -14.330 2.269) 14.511 14.080 ( 0.282 14.330 2.269) 14.511 14.333 ( 2.867 -14.878 -1.942) 15.276 14.333 ( 2.867 14.878 -1.942) 15.276 15.627 ( -22.105 -2.412 1.621) 22.295 15.627 ( -22.105 2.412 1.621) 22.295 16.209 ( -14.169 -11.952 -8.020) 20.197 16.209 ( -14.169 11.952 -8.020) 20.197 22.423 ( -5.193 -2.923 1.416) 6.126 22.423 ( -5.193 2.923 1.416) 6.126 22.702 ( -3.260 -1.265 4.569) 5.754 22.702 ( -3.260 1.265 4.569) 5.754 23.096 ( 0.861 -3.878 3.168) 5.082 23.096 ( 0.861 3.878 3.168) 5.082 23.516 ( -0.223 -2.628 3.962) 4.760 23.516 ( -0.223 2.628 3.962) 4.760 23.963 ( -3.685 -2.249 -1.332) 4.518 23.963 ( -3.685 2.249 -1.332) 4.518 24.228 ( 4.093 -3.552 -7.990) 9.655 24.228 ( 4.093 3.552 -7.990) 9.655 24.707 ( 7.505 -2.298 1.007) 7.914 24.707 ( 7.505 2.298 1.007) 7.914 24.857 ( 9.273 -1.113 1.349) 9.437 24.857 ( 9.273 1.113 1.349) 9.437 ======================= Grid point 95 (50/84) ======================= q-point: (-0.18 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.220 ( -9.043 -13.975 6.348) 17.815 1.220 ( -9.043 13.975 6.348) 17.815 1.377 ( -7.653 -17.143 -1.208) 18.812 1.377 ( -7.653 17.143 -1.208) 18.812 1.684 ( -10.521 -3.217 3.461) 11.533 1.684 ( -10.521 3.217 3.461) 11.533 1.856 ( -7.814 -1.924 4.224) 9.088 1.856 ( -7.814 1.924 4.224) 9.088 1.975 ( -6.775 -1.972 -5.398) 8.884 1.975 ( -6.775 1.972 -5.398) 8.884 2.239 ( -5.030 -4.393 0.686) 6.713 2.239 ( -5.030 4.393 0.686) 6.713 2.465 ( -1.841 -2.968 0.817) 3.587 2.465 ( -1.841 2.968 0.817) 3.587 2.615 ( 0.625 -2.925 -3.952) 4.956 2.615 ( 0.625 2.925 -3.952) 4.956 2.684 ( 1.522 -3.948 -4.822) 6.415 2.684 ( 1.522 3.948 -4.822) 6.415 2.829 ( -2.185 -3.510 2.145) 4.658 2.829 ( -2.185 3.510 2.145) 4.658 2.977 ( -9.517 -3.656 1.546) 10.312 2.977 ( -9.517 3.656 1.546) 10.312 3.103 ( 2.912 -10.051 -5.371) 11.762 3.103 ( 2.912 10.051 -5.371) 11.762 3.391 ( 3.777 -4.114 -0.526) 5.610 3.391 ( 3.777 4.114 -0.526) 5.610 3.592 ( -1.405 -1.764 2.185) 3.140 3.592 ( -1.405 1.764 2.185) 3.140 3.737 ( -0.335 -3.613 -2.090) 4.187 3.737 ( -0.335 3.613 -2.090) 4.187 3.810 ( 0.688 -5.148 1.101) 5.309 3.810 ( 0.688 5.148 1.101) 5.309 4.083 ( -3.082 -2.527 0.746) 4.055 4.083 ( -3.082 2.527 0.746) 4.055 4.225 ( -1.895 -4.713 4.749) 6.954 4.225 ( -1.895 4.713 4.749) 6.954 4.810 ( -1.664 -2.313 0.306) 2.866 4.810 ( -1.664 2.313 0.306) 2.866 5.022 ( -2.879 -5.913 -2.242) 6.948 5.022 ( -2.879 5.913 -2.242) 6.948 5.205 ( 3.951 -2.563 -1.482) 4.938 5.205 ( 3.951 2.563 -1.482) 4.938 5.311 ( 5.593 -3.605 1.398) 6.799 5.311 ( 5.593 3.605 1.398) 6.799 5.669 ( -1.097 -2.205 -1.208) 2.743 5.669 ( -1.097 2.205 -1.208) 2.743 5.909 ( 3.310 -6.380 1.691) 7.383 5.909 ( 3.310 6.380 1.691) 7.383 6.956 ( -0.813 -1.078 2.185) 2.568 6.956 ( -0.813 1.078 2.185) 2.568 7.079 ( -1.442 -2.652 -2.386) 3.848 7.079 ( -1.442 2.652 -2.386) 3.848 8.126 ( -1.430 -4.121 -0.982) 4.471 8.126 ( -1.430 4.121 -0.982) 4.471 8.253 ( -2.225 -2.313 0.877) 3.327 8.253 ( -2.225 2.313 0.877) 3.327 9.067 ( 3.778 -4.170 -0.603) 5.659 9.067 ( 3.778 4.170 -0.603) 5.659 9.286 ( 6.841 -3.494 -0.298) 7.688 9.286 ( 6.841 3.494 -0.298) 7.688 10.607 ( 0.045 -4.542 -1.990) 4.959 10.607 ( 0.045 4.542 -1.990) 4.959 10.863 ( 2.142 -7.795 -0.446) 8.096 10.863 ( 2.142 7.795 -0.446) 8.096 11.158 ( -1.582 -2.403 0.117) 2.879 11.158 ( -1.582 2.403 0.117) 2.879 11.334 ( -0.689 -4.372 -2.001) 4.857 11.334 ( -0.689 4.372 -2.001) 4.857 11.861 ( -2.890 -0.319 4.731) 5.553 11.861 ( -2.890 0.319 4.731) 5.553 12.067 ( -5.242 -2.210 -0.812) 5.747 12.067 ( -5.242 2.210 -0.812) 5.747 14.101 ( 1.393 -16.566 3.107) 16.912 14.101 ( 1.393 16.566 3.107) 16.912 14.412 ( 5.341 -14.869 -1.854) 15.907 14.412 ( 5.341 14.869 -1.854) 15.907 15.171 ( -22.117 -2.794 1.497) 22.343 15.171 ( -22.117 2.794 1.497) 22.343 15.885 ( -16.884 -16.188 -14.059) 27.291 15.885 ( -16.884 16.188 -14.059) 27.291 22.325 ( -4.220 -3.097 1.397) 5.417 22.325 ( -4.220 3.097 1.397) 5.417 22.629 ( -4.170 -1.425 3.729) 5.773 22.629 ( -4.170 1.425 3.729) 5.773 23.111 ( 0.167 -4.708 6.638) 8.139 23.111 ( 0.167 4.708 6.638) 8.139 23.479 ( -3.132 -2.363 5.903) 7.088 23.479 ( -3.132 2.363 5.903) 7.088 23.879 ( -4.358 -1.553 1.085) 4.752 23.879 ( -4.358 1.553 1.085) 4.752 24.340 ( 6.786 -7.656 -9.553) 13.997 24.340 ( 6.786 7.656 -9.553) 13.997 24.863 ( 7.531 -2.689 1.093) 8.071 24.863 ( 7.531 2.689 1.093) 8.071 25.064 ( 10.736 -2.108 1.130) 10.999 25.064 ( 10.736 2.108 1.130) 10.999 ======================= Grid point 97 (51/84) ======================= q-point: (-0.09 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.053 ( -7.119 -15.459 7.513) 18.604 1.053 ( -7.119 15.459 7.513) 18.604 1.223 ( -11.913 -12.269 9.918) 19.769 1.223 ( -11.913 12.269 9.918) 19.769 1.426 ( -8.112 -12.171 0.925) 14.656 1.426 ( -8.112 12.171 0.925) 14.656 1.755 ( -3.343 -3.891 6.441) 8.235 1.755 ( -3.343 3.891 6.441) 8.235 1.894 ( -0.869 -3.006 -6.680) 7.376 1.894 ( -0.869 3.006 -6.680) 7.377 2.120 ( -5.446 -4.403 -2.616) 7.475 2.120 ( -5.446 4.403 -2.616) 7.475 2.452 ( -0.436 -1.384 1.928) 2.414 2.452 ( -0.436 1.384 1.928) 2.414 2.599 ( -2.597 -6.657 2.143) 7.460 2.599 ( -2.597 6.657 2.143) 7.460 2.711 ( 0.268 -5.189 -7.501) 9.125 2.711 ( 0.268 5.189 -7.501) 9.125 2.772 ( -3.402 -1.616 -0.171) 3.770 2.772 ( -3.402 1.616 -0.171) 3.770 2.869 ( 1.607 -3.136 -5.125) 6.219 2.869 ( 1.607 3.136 -5.125) 6.219 3.172 ( 3.762 -9.985 -4.020) 11.402 3.172 ( 3.762 9.985 -4.020) 11.402 3.453 ( 2.088 -3.002 -0.040) 3.657 3.453 ( 2.088 3.002 -0.040) 3.657 3.547 ( -2.504 -1.361 0.717) 2.939 3.547 ( -2.504 1.361 0.717) 2.939 3.709 ( -1.618 -5.322 -4.872) 7.394 3.709 ( -1.618 5.322 -4.872) 7.394 3.825 ( -0.506 -6.387 0.712) 6.446 3.825 ( -0.506 6.387 0.712) 6.446 4.050 ( -0.923 -3.498 4.975) 6.152 4.050 ( -0.923 3.498 4.975) 6.152 4.178 ( -2.327 -5.236 6.349) 8.552 4.178 ( -2.327 5.236 6.349) 8.552 4.808 ( 0.662 -2.624 0.215) 2.715 4.808 ( 0.662 2.624 0.215) 2.715 4.977 ( -0.717 -3.816 -1.081) 4.030 4.977 ( -0.717 3.816 -1.081) 4.030 5.269 ( 2.180 -1.613 -2.199) 3.492 5.269 ( 2.180 1.613 -2.199) 3.492 5.390 ( 1.909 -2.265 2.557) 3.913 5.390 ( 1.909 2.265 2.557) 3.913 5.673 ( 1.626 -3.886 -1.123) 4.359 5.673 ( 1.626 3.886 -1.123) 4.359 5.984 ( 3.093 -7.246 1.490) 8.018 5.984 ( 3.093 7.246 1.490) 8.018 6.944 ( -0.610 -0.247 1.995) 2.100 6.944 ( -0.610 0.247 1.995) 2.100 7.056 ( -0.578 -2.157 -1.757) 2.842 7.056 ( -0.578 2.157 -1.757) 2.842 8.102 ( -0.781 -3.580 -0.956) 3.787 8.102 ( -0.781 3.580 -0.956) 3.787 8.214 ( -1.563 -1.865 0.308) 2.453 8.214 ( -1.563 1.865 0.308) 2.453 9.141 ( 3.271 -7.453 -0.478) 8.153 9.141 ( 3.271 7.453 -0.478) 8.153 9.424 ( 5.927 -3.306 -2.235) 7.146 9.424 ( 5.927 3.306 -2.235) 7.146 10.607 ( 0.077 -2.623 -1.440) 2.994 10.607 ( 0.077 2.623 -1.440) 2.994 10.919 ( 3.362 -3.498 -1.597) 5.108 10.919 ( 3.362 3.498 -1.597) 5.108 11.123 ( -1.955 -5.109 0.219) 5.474 11.123 ( -1.955 5.109 0.219) 5.474 11.324 ( -0.015 -4.250 -4.239) 6.002 11.324 ( -0.015 4.250 -4.239) 6.002 11.821 ( -1.196 -0.571 5.737) 5.888 11.821 ( -1.196 0.571 5.737) 5.888 11.983 ( -2.941 -2.198 0.161) 3.675 11.983 ( -2.941 2.198 0.161) 3.675 14.127 ( 0.644 -18.701 3.379) 19.015 14.127 ( 0.644 18.701 3.379) 19.015 14.542 ( 6.957 -10.201 -0.913) 12.381 14.542 ( 6.957 10.201 -0.913) 12.381 14.796 ( -13.780 -1.759 0.631) 13.907 14.796 ( -13.780 1.759 0.631) 13.907 15.548 ( -13.778 -12.698 -21.040) 28.173 15.548 ( -13.778 12.698 -21.040) 28.173 22.273 ( -0.739 -3.346 1.669) 3.812 22.273 ( -0.739 3.346 1.669) 3.812 22.554 ( -2.789 -1.363 3.151) 4.423 22.554 ( -2.789 1.363 3.151) 4.423 23.108 ( -1.131 -5.965 11.009) 12.572 23.108 ( -1.131 5.965 11.009) 12.572 23.420 ( -2.887 -3.354 8.198) 9.316 23.420 ( -2.887 3.354 8.198) 9.316 23.797 ( -3.731 -1.681 1.580) 4.387 23.797 ( -3.731 1.681 1.580) 4.387 24.460 ( 5.345 -9.895 -9.218) 14.541 24.460 ( 5.345 9.895 -9.218) 14.541 24.994 ( 4.901 -2.436 0.941) 5.553 24.994 ( 4.901 2.436 0.941) 5.553 25.262 ( 7.991 -2.092 1.153) 8.341 25.262 ( 7.991 2.092 1.153) 8.341 ======================= Grid point 110 (52/84) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -0.958 0.000 22.110) 22.131 0.882 ( -3.010 0.000 20.058) 20.282 1.042 ( -0.689 0.000 -16.653) 16.667 1.270 ( -2.179 0.000 -15.740) 15.890 1.363 ( -2.786 0.000 26.109) 26.257 1.668 ( 2.299 0.000 -0.596) 2.375 1.700 ( -2.665 0.000 9.011) 9.397 1.871 ( 2.427 0.000 -3.203) 4.018 1.941 ( 1.974 0.000 6.066) 6.379 2.026 ( -3.915 0.000 3.777) 5.440 2.080 ( -3.915 0.000 -7.193) 8.190 2.195 ( 2.953 0.000 -4.618) 5.481 2.268 ( 0.295 0.000 -4.639) 4.648 2.304 ( -1.031 0.000 0.624) 1.206 2.404 ( 2.510 0.000 -0.210) 2.519 2.524 ( 2.540 0.000 5.958) 6.477 2.565 ( 3.496 0.000 -6.758) 7.609 2.644 ( -0.931 0.000 -2.661) 2.819 2.716 ( 2.090 0.000 -6.629) 6.951 2.757 ( -2.216 0.000 -10.159) 10.398 2.885 ( -0.684 0.000 3.712) 3.775 2.995 ( 4.142 0.000 -4.836) 6.368 3.070 ( -2.871 0.000 3.178) 4.283 3.170 ( 4.149 0.000 -5.555) 6.933 3.372 ( -3.736 0.000 5.038) 6.272 3.467 ( 3.100 0.000 -3.036) 4.339 3.552 ( -1.205 0.000 1.257) 1.741 3.594 ( 0.125 0.000 2.405) 2.408 3.604 ( 0.788 0.000 -2.294) 2.426 3.647 ( -1.036 0.000 -3.198) 3.362 3.842 ( -0.048 0.000 2.634) 2.634 3.895 ( -1.672 0.000 -1.079) 1.990 4.008 ( -3.272 0.000 1.222) 3.493 4.035 ( -0.496 0.000 -0.681) 0.843 4.327 ( 2.463 0.000 9.230) 9.553 4.459 ( -4.521 0.000 -2.876) 5.358 4.888 ( 2.127 0.000 0.743) 2.253 4.908 ( -0.012 0.000 -1.030) 1.030 5.020 ( 1.642 0.000 0.204) 1.655 5.037 ( -4.208 0.000 -1.340) 4.416 5.192 ( -0.658 0.000 1.556) 1.689 5.218 ( 0.351 0.000 -0.975) 1.036 5.400 ( -1.010 0.000 0.324) 1.061 5.406 ( 2.719 0.000 -0.470) 2.760 5.512 ( -0.983 0.000 5.022) 5.117 5.644 ( 1.218 0.000 -7.753) 7.848 6.101 ( 5.824 0.000 7.618) 9.589 6.217 ( -5.397 0.000 -3.110) 6.229 6.910 ( -1.289 0.000 1.295) 1.827 6.939 ( 1.722 0.000 -1.284) 2.148 7.038 ( -0.318 0.000 2.822) 2.840 7.084 ( 0.810 0.000 -1.616) 1.807 8.058 ( 1.427 0.000 1.738) 2.248 8.095 ( -1.417 0.000 -1.750) 2.251 8.251 ( -3.742 0.000 -0.106) 3.744 8.266 ( 2.042 0.000 -1.470) 2.516 8.807 ( 0.901 0.000 0.759) 1.178 8.824 ( -0.892 0.000 -0.866) 1.243 9.415 ( 0.549 0.000 1.169) 1.291 9.434 ( -0.617 0.000 -0.690) 0.926 10.642 ( 2.699 0.000 0.327) 2.718 10.654 ( -2.463 0.000 -0.764) 2.579 10.833 ( -7.384 0.000 -0.165) 7.386 10.836 ( 6.726 0.000 -0.613) 6.754 11.049 ( 1.240 0.000 2.554) 2.839 11.119 ( 1.074 0.000 -4.516) 4.642 11.459 ( -3.752 0.000 0.577) 3.796 11.473 ( 3.655 0.000 -0.676) 3.717 11.879 ( 0.640 0.000 2.268) 2.356 11.896 ( -0.744 0.000 0.317) 0.809 12.014 ( -0.310 0.000 0.537) 0.620 12.023 ( 0.436 0.000 -0.325) 0.544 13.512 ( -0.686 0.000 2.554) 2.644 13.570 ( 0.588 0.000 -2.984) 3.041 14.648 ( 3.046 0.000 0.805) 3.150 14.658 ( -4.177 0.000 -0.250) 4.184 14.672 ( -2.152 0.000 0.215) 2.163 14.677 ( -0.142 0.000 -0.314) 0.345 15.051 ( -5.350 0.000 16.574) 17.416 15.441 ( 14.744 0.000 -20.255) 25.053 22.267 ( 0.563 0.000 6.026) 6.053 22.385 ( 1.413 0.000 -5.217) 5.405 22.521 ( -0.931 0.000 3.607) 3.725 22.582 ( 2.830 0.000 -2.100) 3.524 23.260 ( -2.166 0.000 15.204) 15.357 23.326 ( -1.310 0.000 4.081) 4.286 23.465 ( 3.777 0.000 -3.742) 5.317 23.474 ( -1.859 0.000 3.486) 3.951 23.816 ( 0.825 0.000 -6.940) 6.989 23.831 ( 1.488 0.000 -12.105) 12.196 24.757 ( 0.529 0.000 1.759) 1.837 24.792 ( -1.373 0.000 -1.548) 2.070 24.894 ( -0.869 0.000 4.229) 4.318 24.962 ( 0.241 0.000 -2.518) 2.529 25.425 ( 1.618 0.000 0.326) 1.650 25.430 ( -2.450 0.000 -0.145) 2.454 ======================= Grid point 111 (53/84) ======================= q-point: ( 0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.687 ( 7.189 0.000 20.950) 22.149 0.795 ( -3.281 0.000 21.478) 21.727 1.073 ( 3.475 0.000 -13.281) 13.728 1.227 ( -0.439 0.000 -11.948) 11.956 1.525 ( 13.521 0.000 17.201) 21.879 1.698 ( 2.787 0.000 10.891) 11.242 1.747 ( 4.289 0.000 3.942) 5.825 1.917 ( -3.179 0.000 -1.036) 3.343 1.960 ( 4.294 0.000 3.530) 5.559 2.020 ( 4.823 0.000 3.437) 5.923 2.113 ( 4.345 0.000 -9.796) 10.717 2.250 ( 3.154 0.000 -1.406) 3.453 2.252 ( -2.990 0.000 4.233) 5.182 2.338 ( 5.169 0.000 -3.269) 6.116 2.535 ( 10.459 0.000 -9.110) 13.870 2.551 ( 1.298 0.000 4.144) 4.342 2.644 ( 3.391 0.000 -5.224) 6.229 2.651 ( 5.562 0.000 -2.981) 6.310 2.727 ( -0.114 0.000 -15.602) 15.603 2.814 ( 6.890 0.000 -2.634) 7.376 2.925 ( 2.687 0.000 -0.393) 2.716 2.974 ( -3.729 0.000 2.669) 4.586 3.210 ( -1.324 0.000 -2.492) 2.822 3.211 ( 13.528 0.000 -8.554) 16.006 3.345 ( 1.918 0.000 4.007) 4.443 3.505 ( -3.272 0.000 2.713) 4.250 3.531 ( 1.296 0.000 0.073) 1.298 3.587 ( -3.083 0.000 -3.040) 4.330 3.609 ( 2.788 0.000 1.849) 3.345 3.635 ( -0.290 0.000 -4.157) 4.167 3.838 ( -0.861 0.000 7.167) 7.218 3.850 ( -0.977 0.000 0.145) 0.988 3.943 ( -3.324 0.000 5.946) 6.812 4.007 ( -2.188 0.000 -0.744) 2.311 4.329 ( -7.170 0.000 3.448) 7.956 4.374 ( 1.251 0.000 7.427) 7.532 4.859 ( -3.930 0.000 -3.239) 5.093 4.906 ( 1.156 0.000 -1.560) 1.942 4.970 ( -2.097 0.000 1.322) 2.479 5.056 ( 1.174 0.000 1.767) 2.122 5.189 ( 0.701 0.000 1.440) 1.602 5.214 ( -0.873 0.000 -1.161) 1.453 5.406 ( 1.484 0.000 0.166) 1.494 5.448 ( -3.091 0.000 1.284) 3.347 5.490 ( 2.574 0.000 1.176) 2.830 5.624 ( -2.363 0.000 -7.493) 7.857 6.024 ( -12.395 0.000 -4.170) 13.078 6.132 ( -2.208 0.000 7.577) 7.892 6.894 ( -0.454 0.000 1.280) 1.358 6.980 ( 2.087 0.000 -1.750) 2.724 7.024 ( -0.928 0.000 2.091) 2.288 7.098 ( 1.074 0.000 -2.578) 2.793 8.072 ( -0.544 0.000 -2.188) 2.254 8.081 ( 0.617 0.000 2.281) 2.363 8.205 ( -0.351 0.000 1.569) 1.608 8.318 ( 3.010 0.000 -0.229) 3.019 8.800 ( -1.149 0.000 -1.256) 1.702 8.813 ( -0.261 0.000 0.924) 0.960 9.406 ( -2.347 0.000 -0.149) 2.351 9.428 ( 0.132 0.000 0.081) 0.155 10.591 ( -3.561 0.000 -1.055) 3.714 10.658 ( -4.071 0.000 1.980) 4.527 10.719 ( -0.587 0.000 -2.759) 2.821 10.950 ( 4.122 0.000 1.173) 4.286 11.104 ( 3.525 0.000 -0.230) 3.532 11.161 ( 3.634 0.000 -4.349) 5.668 11.368 ( -4.697 0.000 -0.210) 4.702 11.520 ( 0.948 0.000 0.103) 0.954 11.898 ( 0.633 0.000 2.829) 2.899 11.906 ( 1.180 0.000 0.177) 1.193 12.008 ( -0.629 0.000 1.868) 1.971 12.034 ( 2.847 0.000 -0.839) 2.968 13.546 ( 3.568 0.000 2.530) 4.374 13.618 ( 3.543 0.000 -2.929) 4.597 14.653 ( 2.145 0.000 -0.633) 2.237 14.665 ( -1.066 0.000 2.876) 3.067 14.780 ( 11.499 0.000 0.529) 11.511 14.865 ( 15.205 0.000 1.269) 15.258 15.105 ( 11.760 0.000 10.504) 15.768 15.777 ( 18.063 0.000 -30.631) 35.560 22.312 ( 3.636 0.000 4.448) 5.745 22.419 ( 2.490 0.000 -6.570) 7.026 22.552 ( 3.339 0.000 3.343) 4.725 22.688 ( 6.851 0.000 -5.415) 8.733 23.206 ( -3.982 0.000 14.463) 15.002 23.311 ( -0.143 0.000 3.210) 3.213 23.438 ( -2.141 0.000 3.049) 3.726 23.558 ( 5.554 0.000 -4.018) 6.855 23.839 ( 1.566 0.000 -6.570) 6.754 23.852 ( 1.144 0.000 -11.794) 11.850 24.604 ( -17.359 0.000 7.074) 18.745 24.707 ( -5.073 0.000 0.748) 5.128 24.842 ( -4.376 0.000 4.559) 6.319 24.922 ( -3.959 0.000 -1.989) 4.430 25.240 ( -11.832 0.000 3.228) 12.264 25.338 ( -9.393 0.000 -0.892) 9.435 ======================= Grid point 112 (54/84) ======================= q-point: ( 0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.829 ( 5.080 0.000 15.622) 16.427 0.914 ( 13.086 0.000 15.050) 19.944 1.167 ( 6.912 0.000 -11.937) 13.794 1.270 ( 5.983 0.000 -6.351) 8.726 1.664 ( 1.601 0.000 6.752) 6.940 1.804 ( 1.088 0.000 7.490) 7.569 1.866 ( -2.790 0.000 1.500) 3.167 1.964 ( 17.788 0.000 7.916) 19.470 2.046 ( 3.603 0.000 3.048) 4.719 2.117 ( 4.548 0.000 3.035) 5.468 2.169 ( 2.568 0.000 -7.062) 7.515 2.267 ( 3.670 0.000 -2.731) 4.575 2.327 ( 4.184 0.000 -1.394) 4.410 2.397 ( 1.008 0.000 5.817) 5.903 2.602 ( 1.890 0.000 -5.648) 5.955 2.726 ( 7.814 0.000 1.244) 7.913 2.760 ( 5.852 0.000 -12.240) 13.567 2.787 ( 7.177 0.000 -1.458) 7.324 2.831 ( 13.316 0.000 -18.033) 22.417 2.914 ( 0.859 0.000 -2.475) 2.619 2.915 ( -1.461 0.000 1.788) 2.309 2.992 ( 6.653 0.000 -2.886) 7.252 3.152 ( -3.280 0.000 6.538) 7.314 3.400 ( 1.675 0.000 -0.561) 1.767 3.418 ( -5.337 0.000 8.530) 10.061 3.475 ( 10.503 0.000 -9.225) 13.979 3.484 ( -5.470 0.000 -1.793) 5.756 3.514 ( -1.034 0.000 1.611) 1.914 3.626 ( 0.230 0.000 -2.621) 2.631 3.692 ( 3.032 0.000 -0.241) 3.042 3.847 ( 2.694 0.000 7.241) 7.726 3.869 ( -1.846 0.000 4.779) 5.123 3.907 ( 3.302 0.000 0.402) 3.326 3.954 ( -2.296 0.000 -0.320) 2.319 4.228 ( -2.900 0.000 5.820) 6.502 4.367 ( -2.553 0.000 3.153) 4.057 4.809 ( 0.376 0.000 -1.677) 1.718 4.916 ( -2.574 0.000 0.397) 2.604 4.961 ( 2.169 0.000 -0.917) 2.355 5.045 ( -2.690 0.000 1.510) 3.085 5.180 ( -1.827 0.000 -2.030) 2.731 5.225 ( 2.452 0.000 0.607) 2.526 5.385 ( -1.728 0.000 1.938) 2.597 5.441 ( 1.296 0.000 0.216) 1.314 5.538 ( 1.549 0.000 0.145) 1.556 5.564 ( -2.390 0.000 -5.836) 6.306 5.779 ( -9.910 0.000 -3.055) 10.370 6.064 ( -4.329 0.000 5.585) 7.066 6.893 ( 0.255 0.000 1.847) 1.865 7.014 ( -0.098 0.000 1.709) 1.712 7.015 ( 1.566 0.000 -1.388) 2.093 7.129 ( 2.139 0.000 -5.070) 5.503 8.074 ( 0.848 0.000 -2.504) 2.644 8.096 ( 0.877 0.000 2.926) 3.054 8.228 ( 2.068 0.000 1.923) 2.824 8.383 ( 3.450 0.000 0.157) 3.454 8.782 ( -0.508 0.000 -1.842) 1.911 8.807 ( -0.268 0.000 1.332) 1.358 9.336 ( -4.514 0.000 0.247) 4.521 9.408 ( -2.187 0.000 -0.441) 2.231 10.519 ( -3.321 0.000 -1.066) 3.488 10.553 ( -4.488 0.000 0.632) 4.532 10.755 ( 2.722 0.000 -2.344) 3.592 11.001 ( 1.350 0.000 1.375) 1.927 11.162 ( 1.025 0.000 1.078) 1.488 11.248 ( 4.742 0.000 -2.715) 5.464 11.305 ( -0.450 0.000 -1.943) 1.995 11.512 ( -1.640 0.000 0.791) 1.821 11.913 ( 1.096 0.000 2.419) 2.655 11.914 ( -0.085 0.000 2.020) 2.022 12.056 ( 4.977 0.000 1.722) 5.266 12.124 ( 5.722 0.000 -2.138) 6.108 13.633 ( 4.418 0.000 2.414) 5.034 13.681 ( 2.725 0.000 -3.120) 4.142 14.605 ( -3.982 0.000 4.277) 5.844 14.655 ( -1.898 0.000 -2.531) 3.164 15.122 ( 21.034 0.000 0.178) 21.034 15.252 ( 22.358 0.000 -1.422) 22.403 15.487 ( 22.340 0.000 10.472) 24.672 16.090 ( 15.107 0.000 -26.144) 30.195 22.417 ( 6.326 0.000 3.112) 7.050 22.477 ( 3.592 0.000 -6.507) 7.433 22.633 ( 3.779 0.000 4.052) 5.541 22.816 ( 5.909 0.000 -6.327) 8.658 23.131 ( -4.082 0.000 11.583) 12.281 23.327 ( 1.353 0.000 1.101) 1.745 23.386 ( -3.397 0.000 1.924) 3.904 23.677 ( 6.314 0.000 -2.892) 6.945 23.826 ( -4.853 0.000 -0.424) 4.872 23.860 ( 0.513 0.000 -9.641) 9.654 24.248 ( -13.362 0.000 12.021) 17.973 24.580 ( -6.833 0.000 -1.826) 7.073 24.735 ( -6.207 0.000 4.291) 7.546 24.810 ( -6.768 0.000 -1.520) 6.937 25.039 ( -8.842 0.000 1.247) 8.929 25.102 ( -12.659 0.000 -1.905) 12.801 ======================= Grid point 113 (55/84) ======================= q-point: ( 0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 10.952 0.000 4.188) 11.726 1.182 ( 12.036 0.000 7.760) 14.320 1.327 ( 9.317 0.000 -9.114) 13.034 1.460 ( 11.949 0.000 1.998) 12.115 1.685 ( 0.225 0.000 3.699) 3.706 1.743 ( -5.683 0.000 1.693) 5.930 1.886 ( 3.967 0.000 6.014) 7.204 2.112 ( 2.322 0.000 1.747) 2.906 2.172 ( 3.244 0.000 0.893) 3.364 2.213 ( 2.020 0.000 -3.391) 3.947 2.221 ( 2.575 0.000 -6.925) 7.388 2.344 ( 3.977 0.000 -1.275) 4.177 2.416 ( 5.248 0.000 7.842) 9.436 2.463 ( 4.684 0.000 -0.057) 4.685 2.594 ( -1.180 0.000 -8.734) 8.814 2.753 ( -5.827 0.000 -6.285) 8.571 2.871 ( 2.945 0.000 -4.558) 5.427 2.911 ( 1.952 0.000 -1.432) 2.421 2.916 ( 7.181 0.000 1.109) 7.266 2.975 ( 6.947 0.000 -1.342) 7.075 3.034 ( -0.304 0.000 4.818) 4.827 3.107 ( 7.130 0.000 -5.646) 9.094 3.209 ( 10.385 0.000 -2.164) 10.608 3.323 ( -3.827 0.000 9.647) 10.378 3.396 ( -2.570 0.000 2.140) 3.344 3.433 ( 2.533 0.000 -4.034) 4.764 3.466 ( -1.770 0.000 3.342) 3.782 3.616 ( 2.506 0.000 -4.669) 5.299 3.634 ( 0.257 0.000 -1.946) 1.963 3.729 ( 0.117 0.000 -1.041) 1.048 3.834 ( -0.934 0.000 1.487) 1.756 3.885 ( 1.082 0.000 0.843) 1.372 4.002 ( 4.829 0.000 0.177) 4.833 4.008 ( 6.673 0.000 4.062) 7.812 4.201 ( -0.745 0.000 4.927) 4.983 4.297 ( -3.618 0.000 -0.992) 3.751 4.838 ( -4.344 0.000 2.203) 4.870 4.851 ( 1.229 0.000 0.868) 1.505 4.965 ( -2.296 0.000 -3.296) 4.017 4.973 ( -2.425 0.000 1.919) 3.092 5.189 ( 3.112 0.000 -1.732) 3.561 5.270 ( 1.679 0.000 -1.707) 2.395 5.383 ( 0.745 0.000 0.740) 1.050 5.421 ( -3.177 0.000 -2.365) 3.960 5.548 ( 1.031 0.000 -0.927) 1.387 5.559 ( 0.776 0.000 1.118) 1.361 5.678 ( -0.069 0.000 0.487) 0.492 5.982 ( -3.768 0.000 2.882) 4.744 6.909 ( 1.264 0.000 2.324) 2.645 7.022 ( 0.611 0.000 2.170) 2.255 7.041 ( 1.056 0.000 -1.382) 1.740 7.171 ( 2.361 0.000 -7.259) 7.633 8.100 ( 1.842 0.000 -2.499) 3.104 8.118 ( 0.983 0.000 3.224) 3.370 8.278 ( 2.629 0.000 2.084) 3.354 8.448 ( 2.704 0.000 0.264) 2.717 8.778 ( 0.289 0.000 -2.183) 2.202 8.804 ( -0.194 0.000 1.851) 1.861 9.241 ( -4.423 0.000 -0.448) 4.445 9.344 ( -3.902 0.000 -0.022) 3.902 10.464 ( -1.944 0.000 -1.173) 2.270 10.488 ( -2.175 0.000 0.621) 2.262 10.817 ( 3.652 0.000 -2.746) 4.569 11.019 ( 0.415 0.000 1.646) 1.697 11.150 ( -1.049 0.000 1.042) 1.479 11.326 ( 2.605 0.000 -1.524) 3.018 11.340 ( 2.793 0.000 -1.477) 3.159 11.465 ( -2.694 0.000 1.409) 3.040 11.925 ( 1.053 0.000 2.980) 3.160 11.949 ( 2.222 0.000 1.280) 2.564 12.174 ( 6.053 0.000 0.930) 6.124 12.241 ( 5.641 0.000 -2.726) 6.265 13.715 ( 3.493 0.000 2.211) 4.134 13.727 ( 2.240 0.000 -3.033) 3.770 14.538 ( -2.764 0.000 4.069) 4.919 14.593 ( -3.357 0.000 -3.745) 5.030 15.569 ( 22.138 0.000 0.814) 22.153 15.709 ( 21.974 0.000 -3.304) 22.221 15.933 ( 20.237 0.000 9.778) 22.475 16.351 ( 12.091 0.000 -16.251) 20.255 22.550 ( 3.963 0.000 -5.626) 6.882 22.557 ( 7.068 0.000 2.380) 7.459 22.695 ( 2.153 0.000 4.837) 5.295 22.911 ( 3.765 0.000 -4.402) 5.792 23.067 ( -2.625 0.000 7.202) 7.665 23.301 ( -4.981 0.000 2.508) 5.577 23.348 ( 0.102 0.000 -3.175) 3.177 23.610 ( -13.354 0.000 13.344) 18.878 23.808 ( 5.879 0.000 -4.682) 7.515 23.869 ( 1.206 0.000 -7.013) 7.116 24.160 ( 1.216 0.000 1.145) 1.670 24.453 ( -5.340 0.000 -3.744) 6.522 24.617 ( -5.249 0.000 3.699) 6.422 24.666 ( -6.965 0.000 -0.941) 7.029 24.864 ( -10.454 0.000 -0.207) 10.456 24.871 ( -7.952 0.000 0.146) 7.954 ======================= Grid point 114 (56/84) ======================= q-point: ( 0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 12.939 0.000 -4.752) 13.784 1.392 ( 8.054 0.000 4.887) 9.421 1.512 ( 9.136 0.000 -5.649) 10.742 1.601 ( -2.089 0.000 -2.952) 3.616 1.682 ( -0.226 0.000 -0.949) 0.976 1.722 ( 5.888 0.000 8.005) 9.937 1.994 ( 6.214 0.000 3.088) 6.939 2.118 ( -1.483 0.000 -0.213) 1.498 2.152 ( -3.442 0.000 -1.841) 3.903 2.255 ( 2.560 0.000 -0.574) 2.624 2.278 ( 3.651 0.000 -3.787) 5.261 2.411 ( 2.225 0.000 -0.629) 2.312 2.492 ( 1.290 0.000 3.859) 4.069 2.496 ( -1.822 0.000 -5.621) 5.909 2.563 ( -0.537 0.000 -6.418) 6.440 2.628 ( -4.595 0.000 -5.476) 7.148 2.851 ( -5.000 0.000 3.162) 5.916 2.899 ( 0.629 0.000 -1.834) 1.938 3.046 ( -0.669 0.000 4.069) 4.124 3.078 ( 3.374 0.000 5.210) 6.207 3.112 ( 10.223 0.000 3.130) 10.691 3.215 ( 3.872 0.000 -0.239) 3.880 3.303 ( -2.256 0.000 -0.447) 2.299 3.324 ( 3.570 0.000 1.777) 3.988 3.415 ( 4.663 0.000 -3.150) 5.628 3.435 ( -2.072 0.000 3.722) 4.260 3.539 ( 5.445 0.000 -5.516) 7.751 3.644 ( 1.170 0.000 0.815) 1.426 3.651 ( 3.490 0.000 0.430) 3.516 3.677 ( -3.857 0.000 -0.601) 3.904 3.819 ( -1.105 0.000 0.271) 1.138 3.921 ( 0.972 0.000 1.544) 1.825 4.093 ( 4.397 0.000 -1.255) 4.572 4.120 ( 3.272 0.000 2.838) 4.331 4.191 ( -0.616 0.000 2.493) 2.568 4.237 ( -2.280 0.000 -2.608) 3.464 4.783 ( -0.695 0.000 3.538) 3.606 4.793 ( -4.499 0.000 2.582) 5.188 4.897 ( -3.316 0.000 -5.280) 6.235 5.001 ( 2.156 0.000 -0.781) 2.293 5.261 ( 3.235 0.000 -0.631) 3.296 5.287 ( 0.561 0.000 -3.750) 3.792 5.366 ( -1.440 0.000 0.392) 1.493 5.392 ( -0.073 0.000 0.352) 0.360 5.578 ( 1.035 0.000 1.372) 1.719 5.581 ( 1.871 0.000 0.348) 1.903 5.726 ( 3.510 0.000 2.577) 4.354 5.924 ( -2.072 0.000 0.778) 2.213 6.944 ( 1.941 0.000 2.181) 2.920 7.038 ( 0.827 0.000 3.680) 3.772 7.054 ( 0.234 0.000 -1.795) 1.810 7.210 ( 1.871 0.000 -8.569) 8.771 8.134 ( 0.347 0.000 3.061) 3.081 8.139 ( 1.981 0.000 -2.466) 3.163 8.334 ( 2.768 0.000 2.243) 3.562 8.481 ( 0.336 0.000 0.322) 0.466 8.790 ( 1.040 0.000 -2.351) 2.570 8.799 ( -0.500 0.000 2.151) 2.209 9.176 ( -1.642 0.000 -1.543) 2.253 9.260 ( -4.258 0.000 0.815) 4.335 10.439 ( -0.463 0.000 -1.306) 1.386 10.457 ( -1.224 0.000 0.733) 1.427 10.896 ( 4.315 0.000 -3.206) 5.375 11.015 ( -1.144 0.000 2.918) 3.134 11.150 ( 1.234 0.000 -0.671) 1.404 11.327 ( -2.540 0.000 -0.365) 2.567 11.390 ( 2.005 0.000 -0.125) 2.009 11.432 ( -0.353 0.000 1.345) 1.391 11.956 ( 1.655 0.000 3.046) 3.467 11.996 ( 2.187 0.000 0.122) 2.190 12.281 ( 4.271 0.000 0.634) 4.317 12.335 ( 3.669 0.000 -2.813) 4.623 13.770 ( 2.277 0.000 -2.577) 3.439 13.772 ( 1.907 0.000 1.951) 2.728 14.499 ( -1.592 0.000 3.471) 3.819 14.535 ( -1.903 0.000 -3.460) 3.948 15.968 ( 16.601 0.000 1.573) 16.675 16.088 ( 15.182 0.000 -3.607) 15.605 16.285 ( 13.791 0.000 7.210) 15.562 16.543 ( 7.584 0.000 -9.225) 11.942 22.625 ( 3.833 0.000 -4.374) 5.815 22.665 ( 1.973 0.000 3.276) 3.824 22.757 ( 5.043 0.000 4.439) 6.718 22.955 ( 0.438 0.000 1.785) 1.838 23.046 ( 0.567 0.000 0.336) 0.659 23.197 ( -5.214 0.000 2.082) 5.615 23.320 ( -2.219 0.000 -5.761) 6.173 23.374 ( -10.294 0.000 10.090) 14.414 23.902 ( 2.231 0.000 -4.856) 5.344 23.904 ( 3.597 0.000 -3.525) 5.036 24.208 ( 2.553 0.000 -0.553) 2.613 24.361 ( -3.639 0.000 -3.715) 5.200 24.546 ( -1.935 0.000 2.775) 3.383 24.551 ( -3.877 0.000 -0.351) 3.893 24.688 ( -7.075 0.000 1.610) 7.256 24.726 ( -6.233 0.000 -0.111) 6.234 ======================= Grid point 115 (57/84) ======================= q-point: ( 0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 9.367 0.000 -9.118) 13.072 1.487 ( -0.324 0.000 -0.000) 0.324 1.561 ( 0.941 0.000 -0.219) 0.966 1.646 ( 3.197 0.000 -4.969) 5.908 1.722 ( 5.893 0.000 -4.197) 7.235 1.778 ( -1.815 0.000 3.065) 3.562 2.047 ( -1.478 0.000 -0.228) 1.496 2.083 ( -2.747 0.000 -2.531) 3.735 2.154 ( 5.646 0.000 1.949) 5.973 2.279 ( -0.861 0.000 -0.435) 0.964 2.341 ( 2.111 0.000 -0.712) 2.228 2.410 ( -4.355 0.000 -3.093) 5.341 2.433 ( 0.166 0.000 0.898) 0.913 2.503 ( -0.203 0.000 -2.009) 2.019 2.562 ( -0.057 0.000 -2.408) 2.408 2.588 ( 0.533 0.000 -2.931) 2.979 2.783 ( -1.191 0.000 3.869) 4.048 2.888 ( -1.679 0.000 -4.071) 4.403 3.014 ( -1.380 0.000 9.446) 9.547 3.142 ( 1.757 0.000 -1.351) 2.216 3.254 ( 0.052 0.000 10.033) 10.034 3.278 ( 5.292 0.000 1.604) 5.530 3.292 ( 2.510 0.000 -2.290) 3.398 3.365 ( -3.812 0.000 1.552) 4.116 3.409 ( 2.102 0.000 1.109) 2.377 3.458 ( -0.386 0.000 -2.440) 2.471 3.571 ( 0.020 0.000 -3.017) 3.018 3.602 ( -3.226 0.000 -1.062) 3.396 3.675 ( 1.809 0.000 5.143) 5.452 3.785 ( -0.833 0.000 0.229) 0.863 3.790 ( 6.067 0.000 0.683) 6.106 3.909 ( -2.207 0.000 1.208) 2.516 4.130 ( -1.900 0.000 0.830) 2.073 4.177 ( 3.871 0.000 -2.841) 4.802 4.186 ( 0.189 0.000 1.482) 1.494 4.200 ( -1.072 0.000 -3.738) 3.889 4.732 ( -1.495 0.000 3.704) 3.994 4.798 ( 0.288 0.000 5.046) 5.054 4.857 ( 0.860 0.000 -6.206) 6.265 5.001 ( -1.716 0.000 -5.606) 5.863 5.300 ( 0.678 0.000 -1.110) 1.300 5.301 ( 0.620 0.000 0.192) 0.649 5.359 ( 0.408 0.000 1.006) 1.085 5.389 ( 0.105 0.000 -0.510) 0.520 5.595 ( 0.393 0.000 1.503) 1.554 5.613 ( 1.126 0.000 -0.138) 1.134 5.795 ( 2.825 0.000 3.666) 4.628 5.891 ( -1.660 0.000 -0.558) 1.752 6.981 ( 1.425 0.000 1.710) 2.226 7.047 ( -0.739 0.000 -2.153) 2.276 7.058 ( 0.677 0.000 5.581) 5.622 7.227 ( 0.221 0.000 -8.942) 8.945 8.136 ( -0.354 0.000 2.550) 2.574 8.172 ( 1.498 0.000 -2.578) 2.981 8.392 ( 2.766 0.000 2.279) 3.584 8.465 ( -1.741 0.000 -0.010) 1.741 8.786 ( -0.925 0.000 2.205) 2.392 8.813 ( 1.233 0.000 -2.391) 2.690 9.173 ( 1.301 0.000 -2.028) 2.409 9.183 ( -3.234 0.000 1.371) 3.512 10.435 ( -0.983 0.000 0.692) 1.202 10.440 ( 0.536 0.000 -1.306) 1.412 10.978 ( -2.616 0.000 3.119) 4.071 10.981 ( 4.183 0.000 -3.674) 5.568 11.194 ( 3.013 0.000 -1.011) 3.178 11.255 ( -4.020 0.000 0.321) 4.033 11.419 ( 0.893 0.000 0.795) 1.196 11.429 ( -0.453 0.000 1.346) 1.421 11.987 ( 1.093 0.000 2.687) 2.900 12.030 ( 1.095 0.000 -0.881) 1.405 12.339 ( 1.301 0.000 0.901) 1.583 12.379 ( 0.810 0.000 -2.400) 2.533 13.792 ( -0.093 0.000 1.672) 1.675 13.810 ( 1.669 0.000 -2.078) 2.666 14.474 ( -1.186 0.000 2.899) 3.132 14.515 ( 0.073 0.000 -2.689) 2.690 16.209 ( 6.681 0.000 2.235) 7.045 16.288 ( 4.456 0.000 -2.838) 5.283 16.488 ( 5.934 0.000 4.692) 7.565 16.634 ( 1.916 0.000 -6.219) 6.507 22.661 ( -1.837 0.000 4.324) 4.698 22.693 ( 3.012 0.000 -3.141) 4.351 22.867 ( 3.876 0.000 5.936) 7.089 22.934 ( -2.622 0.000 5.595) 6.179 23.078 ( 1.884 0.000 0.162) 1.891 23.113 ( -2.567 0.000 -0.902) 2.720 23.226 ( -4.216 0.000 1.843) 4.602 23.285 ( 0.247 0.000 -6.229) 6.234 23.938 ( 1.363 0.000 -3.808) 4.045 23.941 ( 0.377 0.000 -2.687) 2.714 24.244 ( 1.055 0.000 0.128) 1.063 24.303 ( -1.962 0.000 -2.942) 3.536 24.520 ( 0.603 0.000 -0.002) 0.603 24.528 ( -1.085 0.000 2.157) 2.414 24.588 ( -2.286 0.000 2.194) 3.169 24.629 ( -3.075 0.000 -0.316) 3.091 ======================= Grid point 116 (58/84) ======================= q-point: (-0.45 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -5.452 0.000 -3.122) 6.282 1.593 ( 3.107 0.000 -7.810) 8.405 1.620 ( 0.228 0.000 -2.512) 2.522 1.669 ( -1.111 0.000 -10.005) 10.066 1.676 ( -4.519 0.000 -0.357) 4.533 1.849 ( 5.702 0.000 -3.902) 6.910 2.043 ( 1.545 0.000 0.910) 1.793 2.058 ( 0.545 0.000 -0.901) 1.053 2.215 ( -4.680 0.000 -2.726) 5.416 2.246 ( 2.397 0.000 2.196) 3.251 2.339 ( -2.833 0.000 -2.014) 3.475 2.364 ( 0.603 0.000 3.257) 3.312 2.419 ( -1.429 0.000 3.344) 3.636 2.474 ( -3.697 0.000 -3.333) 4.978 2.549 ( -0.280 0.000 -0.134) 0.310 2.602 ( 0.634 0.000 -4.209) 4.256 2.814 ( 2.963 0.000 3.731) 4.764 2.864 ( 0.617 0.000 -4.354) 4.397 3.015 ( 0.666 0.000 9.894) 9.917 3.146 ( -0.865 0.000 -0.548) 1.023 3.239 ( -2.722 0.000 5.245) 5.910 3.250 ( -6.039 0.000 2.340) 6.476 3.341 ( -0.039 0.000 1.541) 1.542 3.360 ( 2.156 0.000 0.652) 2.252 3.415 ( -1.776 0.000 3.966) 4.346 3.436 ( 0.508 0.000 -2.140) 2.199 3.542 ( -3.024 0.000 -0.772) 3.121 3.560 ( -1.152 0.000 0.756) 1.378 3.725 ( 2.434 0.000 4.652) 5.250 3.740 ( -2.155 0.000 -0.273) 2.172 3.825 ( -5.800 0.000 -2.455) 6.298 3.899 ( 3.184 0.000 1.745) 3.631 4.093 ( -1.378 0.000 2.871) 3.184 4.193 ( 0.559 0.000 -0.536) 0.775 4.194 ( 0.827 0.000 -2.018) 2.181 4.239 ( 2.286 0.000 -5.913) 6.339 4.736 ( 1.454 0.000 3.969) 4.227 4.799 ( 0.623 0.000 0.277) 0.682 4.911 ( 3.473 0.000 -0.694) 3.542 4.946 ( -2.667 0.000 -7.297) 7.769 5.288 ( -1.744 0.000 0.573) 1.835 5.293 ( -1.669 0.000 0.549) 1.757 5.378 ( 1.303 0.000 0.240) 1.325 5.398 ( 0.791 0.000 -1.988) 2.139 5.595 ( -0.510 0.000 1.160) 1.267 5.622 ( -0.150 0.000 -0.787) 0.801 5.843 ( -3.256 0.000 -0.965) 3.396 5.844 ( 2.094 0.000 3.973) 4.491 7.000 ( 0.274 0.000 2.360) 2.376 7.022 ( -1.504 0.000 -2.212) 2.675 7.069 ( -0.007 0.000 5.918) 5.918 7.204 ( -1.860 0.000 -8.328) 8.533 8.124 ( -1.007 0.000 1.905) 2.155 8.194 ( 0.815 0.000 -2.763) 2.881 8.421 ( -2.413 0.000 -0.656) 2.501 8.443 ( 1.970 0.000 2.242) 2.985 8.766 ( -1.130 0.000 2.026) 2.320 8.832 ( 0.717 0.000 -2.127) 2.244 9.142 ( -0.673 0.000 0.877) 1.105 9.215 ( 2.773 0.000 -1.602) 3.202 10.420 ( -0.527 0.000 0.601) 0.799 10.455 ( 0.939 0.000 -1.159) 1.491 10.919 ( -3.371 0.000 2.357) 4.113 11.052 ( 2.965 0.000 -4.134) 5.087 11.181 ( -3.022 0.000 0.361) 3.044 11.260 ( 3.282 0.000 -0.240) 3.291 11.410 ( -1.598 0.000 1.762) 2.379 11.428 ( 0.066 0.000 1.312) 1.314 11.999 ( -0.154 0.000 2.047) 2.053 12.036 ( -0.449 0.000 -1.641) 1.701 12.334 ( -1.771 0.000 1.724) 2.472 12.364 ( -2.081 0.000 -1.686) 2.678 13.772 ( -1.887 0.000 1.533) 2.432 13.828 ( 0.162 0.000 -1.813) 1.820 14.456 ( -0.645 0.000 2.899) 2.970 14.530 ( 1.391 0.000 -2.401) 2.775 16.226 ( -5.123 0.000 2.777) 5.828 16.256 ( -7.311 0.000 -2.089) 7.604 16.525 ( -2.672 0.000 3.996) 4.807 16.611 ( -3.811 0.000 -6.785) 7.782 22.607 ( -3.676 0.000 4.443) 5.767 22.733 ( 0.780 0.000 -1.767) 1.931 22.858 ( -4.886 0.000 5.088) 7.054 22.889 ( -1.588 0.000 8.571) 8.717 23.098 ( 0.738 0.000 -4.093) 4.159 23.105 ( 0.937 0.000 5.865) 5.939 23.223 ( 3.349 0.000 -5.641) 6.561 23.360 ( 7.625 0.000 -6.088) 9.757 23.925 ( -1.645 0.000 -2.230) 2.771 23.943 ( -0.661 0.000 -3.546) 3.607 24.261 ( 0.976 0.000 1.100) 1.470 24.268 ( -1.772 0.000 -2.335) 2.932 24.496 ( -0.823 0.000 2.403) 2.540 24.543 ( 0.951 0.000 0.531) 1.089 24.611 ( 3.429 0.000 1.611) 3.788 24.620 ( 2.530 0.000 -0.951) 2.703 ======================= Grid point 117 (59/84) ======================= q-point: (-0.36 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.300 ( -4.577 0.000 -8.892) 10.001 1.433 ( -11.891 0.000 0.959) 11.929 1.513 ( -10.192 0.000 -2.747) 10.555 1.675 ( 1.650 0.000 -11.405) 11.524 1.737 ( 4.327 0.000 -5.255) 6.807 1.895 ( -0.971 0.000 -7.506) 7.568 2.082 ( 0.776 0.000 0.072) 0.779 2.096 ( 2.754 0.000 2.351) 3.621 2.124 ( -3.390 0.000 -4.258) 5.443 2.237 ( -2.889 0.000 1.260) 3.152 2.270 ( -4.364 0.000 -3.726) 5.738 2.378 ( 0.035 0.000 8.229) 8.229 2.381 ( -3.897 0.000 0.791) 3.977 2.401 ( 0.138 0.000 4.066) 4.068 2.563 ( 1.961 0.000 -0.661) 2.070 2.612 ( 0.459 0.000 -6.093) 6.110 2.857 ( 0.367 0.000 3.861) 3.879 2.906 ( 2.970 0.000 -2.969) 4.199 3.036 ( -0.436 0.000 10.110) 10.119 3.081 ( -6.113 0.000 1.028) 6.198 3.116 ( -8.302 0.000 4.926) 9.653 3.150 ( -5.965 0.000 0.216) 5.969 3.289 ( -3.696 0.000 3.737) 5.256 3.371 ( -3.200 0.000 4.076) 5.182 3.388 ( 2.758 0.000 -4.634) 5.393 3.471 ( 0.556 0.000 4.078) 4.116 3.480 ( -1.944 0.000 -1.934) 2.742 3.526 ( -1.888 0.000 2.420) 3.070 3.687 ( -5.270 0.000 -1.630) 5.516 3.713 ( -0.261 0.000 -0.580) 0.636 3.793 ( 2.388 0.000 0.546) 2.449 3.920 ( -0.998 0.000 1.465) 1.772 4.067 ( -1.871 0.000 2.319) 2.980 4.218 ( 2.072 0.000 -0.673) 2.179 4.224 ( 1.991 0.000 -1.035) 2.244 4.244 ( -1.961 0.000 -7.062) 7.329 4.784 ( 3.008 0.000 2.411) 3.854 4.830 ( 2.126 0.000 0.674) 2.231 4.917 ( 0.787 0.000 -5.693) 5.747 4.973 ( 2.429 0.000 -0.595) 2.501 5.233 ( -4.212 0.000 1.633) 4.517 5.245 ( -2.022 0.000 0.821) 2.182 5.400 ( 0.580 0.000 -0.487) 0.758 5.414 ( 0.768 0.000 -2.951) 3.050 5.577 ( -1.243 0.000 0.028) 1.243 5.608 ( -1.036 0.000 -1.152) 1.549 5.760 ( -4.695 0.000 -0.560) 4.728 5.899 ( 3.515 0.000 3.284) 4.810 6.988 ( -1.682 0.000 -2.114) 2.701 6.998 ( -0.563 0.000 3.768) 3.810 7.065 ( -0.709 0.000 4.703) 4.757 7.148 ( -2.852 0.000 -6.810) 7.383 8.098 ( -1.658 0.000 1.329) 2.125 8.200 ( -0.054 0.000 -2.920) 2.921 8.370 ( -2.535 0.000 -1.282) 2.841 8.463 ( -0.337 0.000 2.218) 2.243 8.747 ( -0.805 0.000 1.736) 1.914 8.838 ( 0.127 0.000 -1.585) 1.590 9.166 ( 3.046 0.000 -0.635) 3.111 9.277 ( 3.332 0.000 -0.675) 3.400 10.419 ( 0.548 0.000 0.531) 0.764 10.475 ( 1.072 0.000 -0.898) 1.398 10.851 ( -3.386 0.000 1.193) 3.590 11.077 ( -0.486 0.000 -3.102) 3.140 11.156 ( 0.939 0.000 -1.316) 1.616 11.310 ( 1.017 0.000 1.199) 1.572 11.366 ( -2.964 0.000 2.305) 3.755 11.432 ( 0.678 0.000 1.209) 1.386 11.985 ( -1.267 0.000 1.389) 1.880 12.012 ( -1.718 0.000 -1.824) 2.505 12.274 ( -4.293 0.000 2.712) 5.078 12.296 ( -4.430 0.000 -1.149) 4.577 13.724 ( -2.808 0.000 1.751) 3.309 13.812 ( -1.668 0.000 -1.848) 2.489 14.459 ( 0.952 0.000 3.639) 3.761 14.565 ( 2.200 0.000 -2.762) 3.531 16.004 ( -17.082 0.000 -1.773) 17.174 16.020 ( -15.055 0.000 2.823) 15.318 16.385 ( -11.536 0.000 5.747) 12.888 16.468 ( -9.901 0.000 -10.292) 14.281 22.524 ( -4.729 0.000 4.739) 6.695 22.691 ( -5.213 0.000 1.825) 5.523 22.788 ( -1.747 0.000 0.305) 1.773 22.843 ( -3.225 0.000 8.114) 8.731 23.131 ( 2.873 0.000 -4.339) 5.204 23.138 ( 1.885 0.000 7.584) 7.815 23.309 ( 4.761 0.000 -4.452) 6.518 23.543 ( 9.481 0.000 -3.379) 10.065 23.880 ( -2.367 0.000 -2.574) 3.497 23.909 ( -2.003 0.000 -5.600) 5.947 24.224 ( -1.834 0.000 -2.315) 2.953 24.291 ( 1.958 0.000 2.839) 3.448 24.525 ( 3.508 0.000 2.282) 4.185 24.577 ( 3.026 0.000 -0.353) 3.047 24.710 ( 5.999 0.000 -0.513) 6.021 24.712 ( 6.459 0.000 1.240) 6.577 ======================= Grid point 118 (60/84) ======================= q-point: (-0.27 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -12.646 0.000 3.785) 13.200 1.265 ( -13.293 0.000 1.387) 13.365 1.279 ( -0.975 0.000 -16.351) 16.380 1.570 ( -11.014 0.000 -11.123) 15.654 1.793 ( 1.167 0.000 -3.875) 4.047 1.908 ( 2.656 0.000 -7.090) 7.571 2.032 ( -3.714 0.000 -5.522) 6.655 2.103 ( -3.606 0.000 3.864) 5.285 2.104 ( -0.943 0.000 1.493) 1.766 2.168 ( -4.187 0.000 -4.484) 6.134 2.176 ( -2.208 0.000 1.901) 2.914 2.310 ( -4.050 0.000 1.558) 4.340 2.373 ( -0.517 0.000 9.515) 9.529 2.436 ( 2.400 0.000 1.529) 2.846 2.577 ( -4.555 0.000 -5.311) 6.996 2.636 ( 3.967 0.000 2.398) 4.636 2.814 ( -5.590 0.000 1.647) 5.828 2.855 ( -13.553 0.000 10.254) 16.995 2.916 ( -5.448 0.000 2.217) 5.882 2.931 ( -7.267 0.000 -0.101) 7.267 3.031 ( -0.786 0.000 3.651) 3.735 3.033 ( -4.177 0.000 -5.604) 6.989 3.267 ( -1.580 0.000 -2.174) 2.687 3.305 ( 0.301 0.000 5.475) 5.483 3.397 ( -5.379 0.000 11.573) 12.762 3.484 ( 3.773 0.000 -4.373) 5.775 3.490 ( 2.237 0.000 -3.143) 3.857 3.520 ( 0.957 0.000 -1.661) 1.917 3.598 ( -3.453 0.000 -0.129) 3.456 3.710 ( -0.919 0.000 1.428) 1.698 3.845 ( 2.884 0.000 0.330) 2.903 3.890 ( -0.874 0.000 0.116) 0.882 4.014 ( -3.415 0.000 0.071) 3.415 4.150 ( -6.053 0.000 -7.431) 9.584 4.259 ( 1.320 0.000 -0.482) 1.405 4.278 ( 4.064 0.000 0.563) 4.103 4.852 ( -1.017 0.000 1.152) 1.536 4.858 ( 3.611 0.000 0.331) 3.626 4.959 ( 2.796 0.000 -2.778) 3.941 5.014 ( 2.457 0.000 -1.859) 3.082 5.147 ( -3.361 0.000 1.945) 3.883 5.229 ( 0.372 0.000 1.480) 1.526 5.401 ( 0.060 0.000 -0.885) 0.887 5.420 ( -0.058 0.000 -1.585) 1.586 5.546 ( -1.865 0.000 -1.053) 2.142 5.584 ( -1.248 0.000 -1.169) 1.710 5.680 ( -2.059 0.000 0.161) 2.066 5.998 ( 6.077 0.000 1.526) 6.265 6.956 ( -1.259 0.000 -2.145) 2.487 6.987 ( -0.785 0.000 4.064) 4.139 7.049 ( -1.019 0.000 3.768) 3.904 7.091 ( -2.290 0.000 -4.690) 5.219 8.062 ( -1.802 0.000 1.052) 2.087 8.187 ( -1.067 0.000 -2.964) 3.150 8.318 ( -2.489 0.000 -1.751) 3.043 8.434 ( -2.517 0.000 1.885) 3.145 8.740 ( 0.058 0.000 1.404) 1.405 8.837 ( -0.170 0.000 -1.271) 1.283 9.255 ( 5.475 0.000 -1.908) 5.798 9.344 ( 3.273 0.000 0.141) 3.276 10.446 ( 2.089 0.000 0.446) 2.136 10.502 ( 1.937 0.000 -0.553) 2.015 10.788 ( -2.811 0.000 0.025) 2.811 11.058 ( -0.629 0.000 -2.596) 2.671 11.188 ( 1.434 0.000 -2.006) 2.465 11.286 ( -3.298 0.000 2.203) 3.966 11.299 ( -3.295 0.000 2.336) 4.039 11.466 ( 2.201 0.000 1.144) 2.480 11.956 ( -1.447 0.000 0.986) 1.751 11.970 ( -2.185 0.000 -0.927) 2.374 12.173 ( -5.708 0.000 3.389) 6.639 12.192 ( -5.553 0.000 -1.206) 5.682 13.668 ( -2.826 0.000 2.396) 3.705 13.761 ( -3.123 0.000 -2.174) 3.805 14.504 ( 3.173 0.000 4.607) 5.594 14.615 ( 3.010 0.000 -3.147) 4.355 15.596 ( -22.562 0.000 -1.624) 22.621 15.655 ( -20.436 0.000 1.879) 20.523 16.079 ( -18.991 0.000 9.666) 21.310 16.196 ( -16.384 0.000 -15.871) 22.810 22.430 ( -4.902 0.000 5.405) 7.297 22.568 ( -6.445 0.000 1.415) 6.599 22.751 ( -2.552 0.000 -0.421) 2.587 22.773 ( -4.360 0.000 7.437) 8.621 23.186 ( 2.231 0.000 9.054) 9.324 23.204 ( 4.498 0.000 -4.317) 6.234 23.384 ( 2.493 0.000 -2.232) 3.346 23.651 ( -0.291 0.000 5.459) 5.467 23.839 ( -1.280 0.000 -3.583) 3.805 23.886 ( 0.065 0.000 -9.541) 9.541 24.246 ( 6.081 0.000 -6.474) 8.882 24.353 ( 4.397 0.000 5.662) 7.169 24.628 ( 6.240 0.000 2.836) 6.854 24.671 ( 6.169 0.000 -1.628) 6.380 24.854 ( 8.321 0.000 0.656) 8.347 24.867 ( 8.794 0.000 0.414) 8.803 ======================= Grid point 119 (61/84) ======================= q-point: (-0.18 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.884 ( -12.355 0.000 10.372) 16.132 1.021 ( -10.381 0.000 9.830) 14.297 1.292 ( 2.542 0.000 -23.350) 23.488 1.316 ( -11.647 0.000 -16.807) 20.448 1.765 ( -3.881 0.000 1.510) 4.165 1.877 ( -6.194 0.000 5.687) 8.409 1.931 ( -10.044 0.000 -2.353) 10.316 1.996 ( -5.938 0.000 0.150) 5.940 2.004 ( -4.013 0.000 7.229) 8.269 2.135 ( -2.362 0.000 2.345) 3.329 2.196 ( 0.178 0.000 -10.877) 10.878 2.236 ( 2.329 0.000 1.230) 2.634 2.373 ( -0.911 0.000 8.076) 8.127 2.428 ( -6.485 0.000 -6.235) 8.997 2.445 ( -5.166 0.000 2.803) 5.878 2.523 ( -11.925 0.000 8.163) 14.451 2.685 ( -3.369 0.000 -3.933) 5.179 2.713 ( -6.254 0.000 1.230) 6.374 2.799 ( -6.774 0.000 -2.149) 7.107 2.843 ( 2.229 0.000 2.752) 3.541 2.971 ( -5.089 0.000 -0.327) 5.099 3.009 ( 1.911 0.000 -6.084) 6.377 3.231 ( -1.914 0.000 -0.813) 2.080 3.241 ( -10.378 0.000 11.566) 15.539 3.366 ( 3.510 0.000 3.370) 4.866 3.518 ( 0.699 0.000 -5.756) 5.798 3.523 ( -1.298 0.000 -0.290) 1.330 3.554 ( 2.299 0.000 -3.029) 3.802 3.569 ( 0.544 0.000 3.288) 3.333 3.683 ( -0.841 0.000 0.859) 1.202 3.902 ( 1.235 0.000 -0.289) 1.268 3.919 ( 2.575 0.000 0.066) 2.576 3.939 ( -1.826 0.000 -2.118) 2.796 4.044 ( -2.593 0.000 -6.489) 6.988 4.274 ( 0.177 0.000 1.775) 1.784 4.386 ( 6.455 0.000 1.360) 6.597 4.800 ( -2.850 0.000 -0.596) 2.911 4.888 ( -0.603 0.000 1.204) 1.346 4.992 ( 0.758 0.000 -2.525) 2.636 5.070 ( 2.498 0.000 -0.675) 2.587 5.144 ( 2.423 0.000 1.479) 2.839 5.235 ( -0.506 0.000 -0.106) 0.517 5.420 ( 0.461 0.000 2.055) 2.106 5.421 ( 1.829 0.000 -0.894) 2.036 5.498 ( -2.462 0.000 0.195) 2.470 5.562 ( -0.398 0.000 -2.543) 2.574 5.719 ( 5.952 0.000 2.049) 6.295 6.132 ( 6.660 0.000 -0.612) 6.688 6.935 ( -0.767 0.000 -2.113) 2.248 6.970 ( -1.236 0.000 2.929) 3.179 7.035 ( -0.548 0.000 3.687) 3.727 7.057 ( -0.638 0.000 -2.647) 2.723 8.034 ( -0.911 0.000 1.201) 1.507 8.157 ( -1.529 0.000 -2.644) 3.054 8.271 ( -1.887 0.000 -2.180) 2.883 8.377 ( -2.938 0.000 1.012) 3.107 8.751 ( 1.018 0.000 1.006) 1.432 8.831 ( -0.206 0.000 -1.039) 1.059 9.359 ( 4.403 0.000 -2.231) 4.936 9.402 ( 2.325 0.000 0.308) 2.345 10.503 ( 3.436 0.000 0.331) 3.452 10.564 ( 4.500 0.000 -0.196) 4.504 10.739 ( -2.117 0.000 -0.821) 2.271 11.048 ( -0.740 0.000 -3.557) 3.633 11.156 ( -4.148 0.000 2.399) 4.792 11.194 ( -5.691 0.000 2.385) 6.171 11.297 ( 3.219 0.000 -1.531) 3.564 11.504 ( 1.188 0.000 1.428) 1.858 11.926 ( -2.198 0.000 1.033) 2.429 11.937 ( -0.378 0.000 0.600) 0.709 12.061 ( -5.251 0.000 3.687) 6.416 12.088 ( -4.282 0.000 -1.584) 4.565 13.613 ( -2.847 0.000 3.099) 4.208 13.687 ( -3.980 0.000 -2.758) 4.842 14.582 ( 3.726 0.000 4.512) 5.851 14.678 ( 3.125 0.000 -2.588) 4.057 15.141 ( -21.237 0.000 -1.487) 21.289 15.248 ( -18.759 0.000 -0.762) 18.775 15.662 ( -22.300 0.000 15.007) 26.879 15.789 ( -22.446 0.000 -20.044) 30.093 22.341 ( -4.151 0.000 6.178) 7.443 22.449 ( -5.110 0.000 0.119) 5.112 22.679 ( -5.285 0.000 6.590) 8.447 22.680 ( -4.331 0.000 -0.305) 4.342 23.236 ( 1.914 0.000 10.455) 10.629 23.291 ( 3.930 0.000 -2.621) 4.724 23.405 ( 0.141 0.000 -1.042) 1.051 23.590 ( -4.468 0.000 5.762) 7.291 23.824 ( -0.184 0.000 -5.009) 5.013 23.858 ( -2.042 0.000 -6.921) 7.216 24.454 ( 12.876 0.000 -7.145) 14.726 24.495 ( 9.384 0.000 7.048) 11.737 24.761 ( 6.270 0.000 3.398) 7.131 24.804 ( 6.701 0.000 -2.487) 7.148 25.047 ( 10.865 0.000 3.097) 11.298 25.064 ( 10.769 0.000 -1.208) 10.836 ======================= Grid point 120 (62/84) ======================= q-point: (-0.09 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.686 ( -7.652 0.000 16.939) 18.587 0.894 ( -2.931 0.000 18.493) 18.724 1.124 ( -5.818 0.000 -19.740) 20.580 1.311 ( 0.133 0.000 -22.171) 22.172 1.593 ( -17.794 0.000 18.565) 25.715 1.678 ( -3.377 0.000 2.478) 4.189 1.787 ( -6.039 0.000 8.029) 10.047 1.890 ( -3.811 0.000 -3.043) 4.877 1.943 ( -2.353 0.000 7.659) 8.013 2.077 ( -3.172 0.000 -0.275) 3.184 2.160 ( 0.269 0.000 -7.214) 7.219 2.259 ( -10.312 0.000 -0.308) 10.317 2.314 ( -1.642 0.000 -7.411) 7.591 2.335 ( -5.861 0.000 -3.339) 6.745 2.386 ( 7.921 0.000 -0.920) 7.974 2.396 ( -0.555 0.000 11.898) 11.911 2.589 ( -4.325 0.000 -0.363) 4.341 2.676 ( -3.717 0.000 -4.602) 5.916 2.691 ( 1.900 0.000 -6.298) 6.579 2.833 ( -4.433 0.000 -2.608) 5.143 2.940 ( 2.350 0.000 -1.844) 2.987 3.000 ( -8.718 0.000 6.139) 10.663 3.095 ( 2.231 0.000 -3.624) 4.256 3.157 ( -4.893 0.000 1.682) 5.174 3.423 ( 1.952 0.000 -1.161) 2.271 3.455 ( -4.504 0.000 3.547) 5.732 3.545 ( 1.781 0.000 -0.592) 1.877 3.585 ( 0.575 0.000 1.865) 1.952 3.587 ( 1.148 0.000 -2.321) 2.589 3.670 ( -0.896 0.000 -2.409) 2.571 3.860 ( -2.328 0.000 -1.948) 3.036 3.910 ( -0.192 0.000 0.033) 0.195 4.014 ( 3.013 0.000 -0.832) 3.125 4.040 ( 0.579 0.000 -4.594) 4.631 4.283 ( 0.937 0.000 7.481) 7.540 4.492 ( 2.130 0.000 -3.091) 3.754 4.804 ( 4.110 0.000 1.445) 4.356 4.885 ( 0.988 0.000 0.060) 0.989 5.001 ( 0.495 0.000 -1.402) 1.486 5.091 ( -0.631 0.000 -1.240) 1.391 5.189 ( 1.218 0.000 1.347) 1.816 5.218 ( -0.548 0.000 -1.245) 1.360 5.407 ( -2.073 0.000 0.025) 2.073 5.431 ( -1.340 0.000 1.336) 1.892 5.492 ( 1.736 0.000 5.209) 5.490 5.593 ( 3.525 0.000 -6.896) 7.744 5.904 ( 11.185 0.000 6.735) 13.056 6.237 ( 3.027 0.000 -2.186) 3.734 6.924 ( -0.047 0.000 -1.473) 1.474 6.941 ( -1.694 0.000 1.883) 2.533 7.034 ( 0.183 0.000 3.390) 3.395 7.063 ( 1.120 0.000 -1.607) 1.959 8.033 ( 0.706 0.000 1.551) 1.704 8.126 ( -1.457 0.000 -1.940) 2.426 8.247 ( -0.166 0.000 -2.431) 2.437 8.321 ( -2.889 0.000 -0.356) 2.910 8.779 ( 1.565 0.000 0.697) 1.713 8.830 ( 0.107 0.000 -0.747) 0.754 9.410 ( 0.719 0.000 -0.804) 1.079 9.434 ( 0.763 0.000 -0.207) 0.791 10.576 ( 3.649 0.000 0.244) 3.657 10.674 ( 3.812 0.000 1.386) 4.056 10.711 ( 1.726 0.000 -2.822) 3.308 10.977 ( -6.288 0.000 -0.717) 6.329 11.082 ( -4.646 0.000 3.240) 5.664 11.110 ( -0.094 0.000 -1.588) 1.591 11.383 ( 4.891 0.000 -1.540) 5.127 11.507 ( -1.081 0.000 1.226) 1.635 11.887 ( -1.569 0.000 2.219) 2.718 11.928 ( -1.539 0.000 -0.218) 1.554 11.999 ( 0.033 0.000 2.860) 2.861 12.030 ( -1.458 0.000 -0.616) 1.583 13.555 ( -3.088 0.000 3.020) 4.319 13.606 ( -3.473 0.000 -3.204) 4.725 14.630 ( 0.382 0.000 1.926) 1.963 14.698 ( -1.929 0.000 -0.577) 2.013 14.798 ( -11.607 0.000 -1.063) 11.656 14.934 ( -14.182 0.000 -5.447) 15.192 15.262 ( -16.880 0.000 19.148) 25.526 15.371 ( -11.308 0.000 -15.417) 19.119 22.279 ( -2.199 0.000 6.579) 6.937 22.380 ( -1.343 0.000 -1.871) 2.303 22.579 ( -4.643 0.000 5.164) 6.944 22.595 ( -3.341 0.000 -0.604) 3.395 23.269 ( 0.297 0.000 13.010) 13.014 23.339 ( 0.526 0.000 1.850) 1.923 23.414 ( 1.420 0.000 -2.013) 2.463 23.516 ( -2.855 0.000 3.808) 4.759 23.816 ( -0.189 0.000 -6.192) 6.195 23.823 ( -0.350 0.000 -9.338) 9.345 24.672 ( 7.952 0.000 -1.066) 8.023 24.702 ( 9.064 0.000 1.971) 9.276 24.865 ( 3.424 0.000 3.723) 5.058 24.917 ( 4.281 0.000 -2.777) 5.103 25.287 ( 10.623 0.000 -1.560) 10.737 25.293 ( 12.447 0.000 3.851) 13.029 ======================= Grid point 121 (63/84) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -0.171 11.791 12.820) 17.418 0.990 ( -7.815 8.201 11.872) 16.410 1.096 ( -1.477 4.756 -6.157) 7.919 1.370 ( 0.362 8.191 -10.299) 13.165 1.431 ( 0.810 4.722 16.982) 17.645 1.572 ( -1.634 -8.230 8.466) 11.919 1.623 ( -0.425 -6.600 4.999) 8.290 1.821 ( 3.070 -7.023 -7.923) 11.024 1.885 ( 0.629 1.701 5.134) 5.445 1.948 ( -2.041 -1.368 -1.120) 2.701 2.119 ( 2.229 -1.709 2.923) 4.053 2.204 ( -2.670 2.276 -4.409) 5.634 2.331 ( -1.184 1.277 1.130) 2.076 2.372 ( 1.018 2.200 -0.201) 2.433 2.428 ( -1.298 -3.832 -0.237) 4.053 2.483 ( 1.531 7.127 -3.805) 8.223 2.544 ( 3.757 0.083 -4.819) 6.112 2.670 ( 1.184 -6.164 -14.176) 15.503 2.760 ( -0.806 4.667 -0.005) 4.737 2.788 ( 2.659 2.724 -4.282) 5.730 2.827 ( -2.777 -1.359 6.307) 7.024 2.917 ( 1.915 -4.765 -0.814) 5.199 3.090 ( 2.780 -0.024 -0.955) 2.940 3.167 ( 1.062 -0.592 -7.074) 7.178 3.391 ( -2.637 2.187 4.319) 5.513 3.472 ( 2.547 -1.601 2.006) 3.616 3.498 ( 0.323 0.907 -4.463) 4.566 3.547 ( -2.169 -4.905 -4.559) 7.039 3.654 ( 0.309 0.804 2.035) 2.209 3.669 ( -0.208 1.349 0.798) 1.581 3.784 ( -0.584 -3.562 0.094) 3.611 3.812 ( -2.698 -5.726 -2.308) 6.737 4.039 ( -1.314 4.348 5.505) 7.137 4.110 ( -0.890 3.335 -1.280) 3.681 4.288 ( 1.666 -1.848 7.438) 7.843 4.369 ( -1.971 -4.117 0.654) 4.611 4.858 ( -0.821 -3.292 0.744) 3.473 4.871 ( 1.207 -4.475 -0.441) 4.656 5.020 ( 0.440 -0.930 0.721) 1.256 5.028 ( 0.573 -0.777 0.000) 0.966 5.213 ( 0.948 1.854 0.835) 2.243 5.245 ( -2.873 2.796 -2.085) 4.519 5.400 ( 2.356 1.373 1.000) 2.905 5.415 ( -1.531 0.860 -0.379) 1.796 5.609 ( 0.694 6.294 2.762) 6.908 5.692 ( 0.379 3.467 -5.270) 6.320 6.034 ( 4.058 -4.276 6.522) 8.791 6.136 ( -4.617 -6.390 -2.836) 8.378 6.931 ( -1.329 1.724 1.602) 2.703 6.963 ( 1.536 1.812 -1.265) 2.692 7.025 ( -0.692 -1.013 2.204) 2.522 7.066 ( 1.165 -1.345 -1.658) 2.432 8.059 ( 1.048 0.515 1.467) 1.875 8.093 ( -1.196 -0.152 -1.717) 2.098 8.210 ( -2.000 -2.483 0.661) 3.256 8.231 ( 1.182 -2.713 -1.388) 3.269 8.971 ( -0.701 11.219 1.585) 11.352 9.042 ( 0.281 14.286 -5.984) 15.491 9.407 ( -1.495 -1.207 1.048) 2.188 9.430 ( 0.681 -0.400 -1.088) 1.344 10.614 ( 2.137 -1.791 0.335) 2.808 10.626 ( -1.631 -1.921 -0.724) 2.622 10.867 ( -4.401 2.665 -0.397) 5.160 10.876 ( 3.762 2.623 -1.420) 4.801 11.056 ( 0.336 0.909 2.668) 2.839 11.126 ( 0.956 0.560 -4.359) 4.498 11.356 ( -0.545 -7.490 0.942) 7.568 11.381 ( 0.997 -6.819 -1.375) 7.027 11.885 ( 0.723 0.659 2.233) 2.438 11.901 ( -0.512 0.486 0.417) 0.820 11.984 ( 0.474 -2.096 1.588) 2.672 11.995 ( -0.559 -1.434 0.157) 1.547 13.773 ( -1.277 20.923 6.030) 21.812 13.953 ( 1.366 26.513 -12.394) 29.298 14.626 ( 2.025 -2.605 1.746) 3.733 14.644 ( -3.546 -1.391 -0.314) 3.822 14.672 ( 1.371 0.228 0.526) 1.485 14.686 ( -2.657 0.279 -0.813) 2.793 14.968 ( -4.296 -5.509 12.370) 14.206 15.314 ( 11.309 -11.376 -19.834) 25.509 22.287 ( 0.603 1.732 4.809) 5.147 22.369 ( 1.086 -1.389 -2.551) 3.101 22.538 ( -0.126 1.341 1.731) 2.193 22.580 ( 2.387 -0.261 -1.794) 2.998 23.263 ( -1.419 0.519 10.911) 11.015 23.320 ( -0.747 -1.057 3.823) 4.036 23.467 ( 1.627 1.531 0.931) 2.420 23.507 ( 0.266 1.408 -0.997) 1.746 23.764 ( -1.653 1.102 2.916) 3.528 23.996 ( 2.310 9.846 -14.132) 17.378 24.386 ( -2.873 -22.920 14.462) 27.253 24.610 ( 1.308 -13.766 -7.842) 15.897 24.997 ( -1.110 3.843 1.629) 4.319 25.031 ( 0.492 2.793 -1.514) 3.215 25.389 ( -1.292 -2.240 1.132) 2.822 25.400 ( 0.933 -1.952 -0.020) 2.164 ======================= Grid point 122 (64/84) ======================= q-point: ( 0.09 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 3.092 7.739 15.884) 17.938 0.866 ( -3.082 6.636 10.642) 12.914 1.103 ( 3.408 4.844 0.643) 5.958 1.377 ( 0.722 9.390 -9.392) 13.300 1.578 ( 1.461 -5.029 8.463) 9.953 1.613 ( 13.923 3.504 11.419) 18.344 1.693 ( 5.784 -5.238 0.406) 7.814 1.839 ( 0.603 -1.564 6.617) 6.826 1.957 ( 2.637 -4.454 -2.831) 5.900 1.981 ( 6.140 -1.066 -3.179) 6.995 2.171 ( 1.819 -1.471 4.249) 4.851 2.213 ( 3.281 6.755 -2.073) 7.790 2.312 ( 0.303 0.731 2.150) 2.291 2.384 ( 0.625 -2.402 -1.650) 2.980 2.463 ( 4.011 -2.938 -1.605) 5.225 2.550 ( 5.351 2.948 -4.362) 7.507 2.633 ( 5.772 -0.394 -10.154) 11.687 2.663 ( 0.775 -2.050 -7.356) 7.676 2.781 ( 3.025 3.370 -5.536) 7.152 2.842 ( 1.438 0.339 -2.824) 3.187 2.859 ( 5.341 -0.531 1.974) 5.719 2.965 ( 1.036 -3.621 0.508) 3.800 3.140 ( 3.604 -0.244 -7.920) 8.705 3.230 ( 4.483 -2.352 -3.392) 6.094 3.353 ( -0.715 1.202 3.493) 3.762 3.465 ( -3.410 -2.827 0.848) 4.510 3.534 ( 2.215 -1.440 0.583) 2.705 3.542 ( 2.684 -0.332 -3.954) 4.790 3.634 ( -1.561 1.181 -0.783) 2.109 3.704 ( 2.170 3.781 2.125) 4.850 3.745 ( -2.464 -5.398 3.689) 6.987 3.808 ( 2.802 -4.544 0.512) 5.363 3.985 ( -4.179 3.944 6.853) 8.943 4.062 ( -3.394 3.054 -0.012) 4.566 4.315 ( -2.436 -1.286 2.252) 3.558 4.336 ( 1.049 -0.332 6.068) 6.167 4.837 ( -0.901 -3.588 -0.462) 3.728 4.889 ( 0.682 -3.693 -0.412) 3.779 4.957 ( -3.938 -0.238 -0.683) 4.003 5.044 ( -0.105 0.441 -0.465) 0.649 5.188 ( -1.352 0.887 0.170) 1.626 5.248 ( 0.673 -0.474 1.830) 2.006 5.356 ( -3.292 2.720 -0.925) 4.369 5.458 ( 1.538 -1.209 -0.029) 1.957 5.599 ( -1.326 6.904 0.157) 7.032 5.685 ( -0.226 4.270 -4.233) 6.016 5.967 ( -10.619 -4.241 -2.421) 11.688 6.061 ( -1.659 -5.449 6.358) 8.536 6.915 ( -0.306 1.846 1.553) 2.432 6.997 ( 1.315 0.352 -0.361) 1.409 7.013 ( -0.016 0.192 0.674) 0.701 7.093 ( 1.649 -0.705 -2.513) 3.087 8.070 ( -0.269 0.011 -0.563) 0.624 8.083 ( 0.599 0.232 0.481) 0.802 8.190 ( 0.440 -0.791 1.152) 1.465 8.275 ( 2.856 -3.396 -0.345) 4.451 8.932 ( -2.643 10.712 1.357) 11.117 9.001 ( -3.153 12.924 -3.476) 13.750 9.361 ( -3.206 -3.538 1.588) 5.032 9.419 ( -1.796 -1.916 -0.796) 2.744 10.579 ( -2.617 -0.253 -1.269) 2.919 10.652 ( 1.180 -2.209 0.464) 2.547 10.748 ( -5.095 4.074 -1.255) 6.643 10.962 ( 3.035 -1.053 0.494) 3.250 11.078 ( 1.044 -0.198 0.837) 1.353 11.168 ( 3.408 0.162 -3.633) 4.984 11.316 ( -1.214 -3.244 -1.584) 3.808 11.426 ( 1.645 -7.227 -0.006) 7.412 11.906 ( 0.571 0.826 2.637) 2.822 11.923 ( 1.675 1.534 0.043) 2.272 11.977 ( 0.162 -2.115 2.701) 3.435 12.008 ( 2.758 -1.893 -1.130) 3.531 13.766 ( 0.562 18.557 4.669) 19.143 13.948 ( -0.823 22.812 -7.012) 23.880 14.609 ( -3.720 -5.341 4.116) 7.701 14.630 ( 0.149 -2.605 -0.991) 2.792 14.801 ( 13.595 2.142 -0.459) 13.770 14.868 ( 16.035 0.154 0.877) 16.060 15.075 ( 14.434 -0.662 7.198) 16.143 15.605 ( 17.335 -15.051 -26.628) 35.158 22.328 ( 3.294 1.374 3.258) 4.832 22.400 ( 2.395 -1.491 -3.478) 4.479 22.586 ( 4.226 2.682 0.472) 5.028 22.679 ( 6.554 -0.950 -4.780) 8.167 23.225 ( -2.986 1.714 10.600) 11.145 23.309 ( -0.211 -0.811 2.947) 3.064 23.465 ( -1.913 3.377 5.392) 6.644 23.566 ( 5.085 0.540 -4.225) 6.633 23.754 ( 0.548 -1.989 -0.646) 2.161 24.004 ( -1.397 6.603 -9.399) 11.571 24.262 ( -9.465 -18.985 14.866) 25.904 24.572 ( -4.025 -11.418 -7.278) 14.126 24.921 ( -6.147 3.791 2.661) 7.697 24.990 ( -4.320 2.135 -1.054) 4.932 25.250 ( -10.409 1.110 2.429) 10.746 25.321 ( -8.154 -1.411 -0.532) 8.293 ======================= Grid point 123 (65/84) ======================= q-point: ( 0.18 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( 4.926 4.798 11.610) 13.494 0.945 ( 7.855 2.593 7.366) 11.077 1.254 ( 11.130 7.420 4.437) 14.093 1.400 ( 2.546 8.503 -8.036) 11.973 1.637 ( 4.074 -1.412 4.355) 6.129 1.774 ( 1.699 -4.027 2.528) 5.049 1.814 ( 2.742 -0.897 4.377) 5.242 1.990 ( 11.582 -2.916 -2.565) 12.216 2.030 ( 4.445 -1.533 2.224) 5.201 2.082 ( 6.196 0.478 0.457) 6.231 2.189 ( 0.189 -0.620 3.555) 3.613 2.284 ( 2.891 6.656 -0.361) 7.266 2.347 ( 3.349 1.224 -3.212) 4.799 2.430 ( 1.483 -0.011 6.020) 6.200 2.551 ( 6.465 -6.316 -0.685) 9.064 2.627 ( -0.568 -4.351 -8.920) 9.941 2.708 ( 8.712 -0.659 -1.224) 8.823 2.817 ( 4.376 -4.424 -1.470) 6.394 2.857 ( 4.923 0.251 -9.345) 10.566 2.877 ( 6.927 2.920 -8.102) 11.052 2.952 ( 0.686 -0.352 -5.831) 5.882 3.012 ( 7.855 0.848 0.259) 7.905 3.160 ( -1.487 3.224 -0.120) 3.552 3.298 ( 0.982 -3.034 3.923) 5.055 3.380 ( -2.959 -4.960 -0.448) 5.793 3.409 ( 2.580 -4.219 -1.230) 5.096 3.506 ( -1.644 1.251 0.728) 2.191 3.617 ( 1.076 3.139 -0.748) 3.402 3.656 ( 5.802 3.809 -1.101) 7.027 3.716 ( -0.658 -2.046 3.460) 4.073 3.748 ( 0.325 -1.933 1.733) 2.616 3.887 ( 3.603 -2.130 0.491) 4.215 3.937 ( 1.653 2.578 5.020) 5.881 3.991 ( -2.958 3.114 0.941) 4.397 4.237 ( -4.391 1.999 1.775) 5.140 4.368 ( 0.595 0.185 5.255) 5.292 4.819 ( -0.987 -1.651 -2.315) 3.010 4.890 ( -0.354 -2.932 1.360) 3.251 4.922 ( 0.692 -1.471 -1.231) 2.039 5.043 ( -0.156 2.453 -0.291) 2.475 5.179 ( 0.018 -4.306 0.346) 4.320 5.232 ( -1.687 -4.450 1.473) 4.982 5.281 ( -4.040 4.640 -0.968) 6.228 5.432 ( -4.004 -3.148 -2.214) 5.553 5.597 ( 1.440 5.184 -0.169) 5.383 5.684 ( 0.025 4.796 -3.303) 5.823 5.768 ( -6.859 0.784 -0.196) 6.906 6.013 ( -3.006 -4.423 4.650) 7.087 6.919 ( 0.484 2.114 1.856) 2.854 7.003 ( 0.220 -1.090 1.733) 2.059 7.038 ( 1.567 2.134 -1.510) 3.048 7.128 ( 2.012 -0.517 -4.240) 4.722 8.073 ( 0.769 0.243 -0.968) 1.260 8.101 ( 1.197 0.144 1.243) 1.731 8.221 ( 2.206 -0.045 1.424) 2.626 8.338 ( 3.328 -3.687 0.110) 4.968 8.887 ( -1.798 8.724 0.500) 8.921 8.937 ( -2.695 10.213 -1.462) 10.664 9.280 ( -4.706 -4.865 1.241) 6.881 9.361 ( -3.658 -4.602 -0.355) 5.889 10.528 ( -2.085 1.895 -1.642) 3.261 10.630 ( -3.062 5.104 1.576) 6.157 10.712 ( 1.533 -2.636 -3.054) 4.316 10.996 ( 0.416 -4.824 2.218) 5.326 11.090 ( 0.227 -0.368 0.100) 0.444 11.235 ( 2.954 -1.655 -2.240) 4.060 11.327 ( 2.274 0.978 -2.718) 3.676 11.439 ( -0.160 -5.377 0.778) 5.436 11.912 ( 0.317 0.386 2.778) 2.822 11.929 ( 0.024 0.484 2.042) 2.098 12.050 ( 5.857 0.001 1.057) 5.951 12.105 ( 6.145 -1.561 -2.065) 6.667 13.800 ( 2.208 14.954 3.299) 15.472 13.926 ( -0.829 17.569 -3.676) 17.968 14.521 ( -4.483 -7.574 4.346) 9.816 14.595 ( -3.318 -5.756 -2.964) 7.275 15.166 ( 21.309 3.810 0.593) 21.655 15.272 ( 22.867 1.259 -1.702) 22.964 15.477 ( 22.633 0.757 7.135) 23.743 15.938 ( 17.056 -13.033 -21.996) 30.734 22.423 ( 5.780 0.572 1.993) 6.141 22.462 ( 3.936 -1.046 -3.628) 5.455 22.677 ( 4.145 3.501 0.886) 5.498 22.802 ( 5.574 -1.426 -5.366) 7.868 23.163 ( -3.671 2.942 9.104) 10.248 23.315 ( 0.243 -2.118 -0.434) 2.176 23.415 ( -3.205 4.041 6.582) 8.362 23.681 ( 6.279 -0.278 -4.437) 7.694 23.756 ( -2.800 -3.111 2.314) 4.782 23.887 ( -7.678 -4.791 5.306) 10.491 24.139 ( -1.682 -1.437 -0.112) 2.215 24.466 ( -5.407 -8.730 -6.910) 12.377 24.781 ( -7.423 3.128 3.395) 8.741 24.869 ( -7.274 1.558 -0.940) 7.498 25.036 ( -10.527 1.476 1.953) 10.808 25.114 ( -11.284 0.158 -0.954) 11.325 ======================= Grid point 124 (66/84) ======================= q-point: ( 0.27 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.052 ( 10.337 3.977 3.013) 11.478 1.141 ( 10.579 -0.857 3.960) 11.329 1.477 ( 5.790 7.630 -7.376) 12.089 1.523 ( 14.059 6.651 7.220) 17.146 1.723 ( 1.543 4.936 -2.775) 5.870 1.773 ( 0.165 -1.301 6.969) 7.091 1.855 ( 2.300 0.102 3.977) 4.595 2.090 ( 1.204 -5.177 -5.326) 7.524 2.117 ( 4.814 -4.996 -1.796) 7.166 2.188 ( 1.635 -2.046 -0.051) 2.620 2.239 ( 3.016 2.474 -1.667) 4.242 2.315 ( 0.530 1.335 -0.210) 1.451 2.436 ( -0.311 -1.253 -2.561) 2.868 2.446 ( 3.949 1.074 5.527) 6.877 2.592 ( -1.287 -1.555 -7.037) 7.320 2.675 ( 2.820 -4.914 0.223) 5.670 2.827 ( -1.274 -2.030 -4.783) 5.350 2.877 ( 8.846 -4.945 2.267) 10.385 2.922 ( 4.682 0.563 -0.789) 4.781 2.993 ( 4.511 0.109 -0.377) 4.528 3.075 ( 0.358 3.275 -0.664) 3.360 3.132 ( 3.745 3.875 -2.960) 6.149 3.173 ( 8.322 -3.154 -1.882) 9.097 3.304 ( -1.919 -1.851 6.080) 6.638 3.340 ( 2.136 -1.369 -3.898) 4.651 3.383 ( -0.316 -1.826 0.202) 1.864 3.569 ( 2.104 1.523 0.476) 2.641 3.620 ( 0.538 2.151 1.996) 2.983 3.672 ( -3.103 1.016 -0.804) 3.363 3.723 ( 1.184 -1.366 -0.809) 1.981 3.797 ( 3.623 0.108 0.687) 3.689 3.908 ( -1.046 0.006 -0.857) 1.352 4.011 ( 5.943 1.825 1.461) 6.386 4.045 ( 5.650 1.443 2.581) 6.377 4.163 ( -2.670 1.232 1.794) 3.445 4.354 ( -1.968 1.094 2.050) 3.045 4.786 ( -2.537 -0.767 0.495) 2.696 4.901 ( 1.042 0.919 -0.534) 1.488 4.937 ( 0.111 -0.726 1.442) 1.619 5.020 ( -2.169 3.510 -0.270) 4.135 5.172 ( 0.007 -9.378 0.321) 9.384 5.202 ( -2.999 -1.746 -0.742) 3.549 5.231 ( 0.808 -2.809 -1.036) 3.101 5.339 ( -3.429 -5.995 -3.299) 7.654 5.630 ( 1.203 5.170 1.341) 5.475 5.671 ( 0.194 2.601 -2.088) 3.341 5.737 ( 1.870 6.677 1.587) 7.113 5.964 ( -1.726 -2.040 2.158) 3.434 6.937 ( 1.239 2.277 2.175) 3.384 7.015 ( 0.825 -0.699 2.088) 2.351 7.063 ( 0.992 2.106 -1.654) 2.856 7.164 ( 1.871 -0.940 -5.886) 6.247 8.098 ( 1.580 0.334 -0.321) 1.646 8.131 ( 1.570 0.465 1.074) 1.958 8.270 ( 2.406 -0.089 1.527) 2.851 8.400 ( 2.549 -4.005 0.263) 4.755 8.862 ( -0.691 6.944 -0.918) 7.039 8.895 ( -1.517 7.774 0.311) 7.927 9.189 ( -4.033 -4.645 0.157) 6.153 9.281 ( -4.150 -5.773 0.326) 7.117 10.499 ( -0.661 3.769 -1.862) 4.255 10.576 ( -2.285 6.945 1.233) 7.414 10.759 ( 3.049 -4.720 -3.109) 6.422 10.988 ( -1.175 -6.746 3.025) 7.486 11.099 ( 0.837 0.681 -0.689) 1.280 11.272 ( 0.567 -4.091 -0.944) 4.237 11.379 ( 2.624 1.556 -2.000) 3.648 11.432 ( -0.242 -2.035 1.186) 2.368 11.929 ( 1.226 0.411 2.970) 3.239 11.950 ( 1.760 -0.133 1.891) 2.587 12.177 ( 6.285 0.569 0.215) 6.314 12.229 ( 5.938 -1.063 -2.446) 6.509 13.848 ( 2.277 12.306 2.133) 12.695 13.914 ( -0.014 14.026 -2.517) 14.250 14.451 ( -2.671 -7.869 3.917) 9.186 14.515 ( -3.775 -7.269 -3.939) 9.089 15.610 ( 21.695 3.582 1.311) 22.028 15.729 ( 21.631 1.027 -2.731) 21.827 15.925 ( 20.368 0.559 6.622) 21.424 16.245 ( 14.251 -8.997 -13.580) 21.644 22.543 ( 4.764 -0.248 -2.696) 5.480 22.554 ( 6.186 -0.370 1.044) 6.285 22.742 ( 2.189 3.726 1.893) 4.718 22.888 ( 3.256 -2.067 -3.377) 5.126 23.101 ( -2.736 3.122 6.046) 7.334 23.286 ( -3.461 -2.941 -0.730) 4.600 23.360 ( -2.547 2.759 3.219) 4.946 23.568 ( -11.869 -3.944 12.633) 17.777 23.805 ( 5.784 0.097 -3.074) 6.551 23.859 ( 1.981 -1.441 -4.203) 4.865 24.152 ( 2.214 1.087 -3.103) 3.964 24.368 ( -3.658 -6.229 -6.016) 9.401 24.644 ( -6.083 2.226 3.094) 7.178 24.716 ( -7.371 1.579 -0.674) 7.568 24.838 ( -9.024 0.487 1.471) 9.156 24.899 ( -9.713 0.484 -0.190) 9.727 ======================= Grid point 125 (67/84) ======================= q-point: ( 0.36 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 12.513 3.021 -4.754) 13.722 1.352 ( 9.915 -0.861 0.421) 9.961 1.605 ( 5.872 5.365 -4.826) 9.303 1.688 ( -1.046 6.576 -1.437) 6.812 1.749 ( -3.238 4.223 2.474) 5.868 1.790 ( 9.755 6.563 6.136) 13.262 1.966 ( 6.567 -2.854 1.372) 7.290 2.058 ( -2.864 -3.837 -2.838) 5.566 2.192 ( 0.256 2.085 1.453) 2.554 2.233 ( 2.389 -4.214 -2.516) 5.458 2.253 ( 1.901 -0.535 -3.489) 4.010 2.348 ( 2.367 -4.325 0.023) 4.931 2.399 ( -2.476 -4.051 -3.858) 6.117 2.460 ( -1.486 -3.011 2.244) 4.039 2.563 ( -1.195 0.690 -6.307) 6.456 2.669 ( -1.839 -0.457 -3.972) 4.401 2.820 ( -1.129 -0.133 1.755) 2.091 2.946 ( -2.674 2.017 1.080) 3.519 3.005 ( 3.789 -5.936 2.315) 7.413 3.023 ( -0.703 -1.162 4.454) 4.656 3.153 ( 8.340 3.037 2.943) 9.351 3.205 ( 2.719 0.329 -1.009) 2.919 3.265 ( -1.555 -1.713 6.658) 7.048 3.306 ( 5.201 -4.378 -0.422) 6.811 3.386 ( 3.052 3.088 -3.724) 5.720 3.502 ( 7.542 -2.362 -5.955) 9.896 3.548 ( -2.160 2.988 2.545) 4.480 3.618 ( -1.702 0.431 -1.740) 2.472 3.643 ( 0.839 -0.696 2.797) 3.002 3.765 ( 1.893 1.836 -0.945) 2.802 3.790 ( -2.745 1.194 0.277) 3.006 3.925 ( 1.332 -0.373 0.181) 1.395 4.098 ( 1.687 -0.964 -0.627) 2.042 4.148 ( 2.576 1.392 0.518) 2.973 4.160 ( 3.954 3.430 3.414) 6.249 4.310 ( -2.127 1.150 -0.407) 2.452 4.744 ( -0.995 1.736 1.962) 2.802 4.880 ( -2.676 0.182 -1.291) 2.976 4.891 ( -3.740 3.797 1.572) 5.557 5.023 ( 1.026 1.502 -1.255) 2.210 5.141 ( -1.237 -10.699 0.590) 10.787 5.200 ( 1.268 -4.962 -1.427) 5.316 5.250 ( 1.397 -5.222 -1.235) 5.545 5.315 ( 0.134 -6.943 -1.834) 7.182 5.648 ( 0.716 5.878 1.861) 6.207 5.686 ( 0.782 4.110 -1.366) 4.401 5.799 ( 3.693 5.768 2.607) 7.328 5.950 ( 0.021 0.807 0.294) 0.859 6.969 ( 1.638 2.006 2.194) 3.394 7.036 ( 0.932 -0.411 3.269) 3.424 7.075 ( 0.245 2.032 -2.088) 2.923 7.193 ( 1.284 -1.719 -7.019) 7.340 8.130 ( 1.369 0.544 0.991) 1.776 8.161 ( 1.314 0.951 -0.244) 1.640 8.318 ( 2.278 -0.828 1.708) 2.965 8.432 ( 0.473 -4.057 0.297) 4.095 8.858 ( 0.398 5.702 -1.857) 6.010 8.870 ( -1.079 6.246 1.364) 6.483 9.132 ( -1.395 -3.981 -1.045) 4.346 9.201 ( -3.750 -5.329 1.083) 6.605 10.496 ( 0.417 5.145 -1.962) 5.523 10.538 ( -1.712 6.924 1.200) 7.233 10.827 ( 3.830 -5.841 -3.270) 7.712 10.958 ( -2.067 -6.919 3.071) 7.847 11.125 ( 1.877 0.283 -1.082) 2.185 11.256 ( -1.879 -4.639 0.034) 5.005 11.419 ( 1.335 1.225 -0.609) 1.912 11.435 ( 0.323 0.057 1.049) 1.099 11.963 ( 1.739 0.569 2.940) 3.462 11.991 ( 2.048 -0.462 1.010) 2.329 12.287 ( 4.294 0.595 -0.044) 4.335 12.327 ( 3.808 -0.718 -2.500) 4.611 13.889 ( 1.613 10.762 1.338) 10.964 13.921 ( 0.729 11.728 -1.733) 11.878 14.415 ( -1.412 -7.603 3.337) 8.423 14.454 ( -1.871 -7.436 -3.504) 8.431 15.999 ( 16.026 2.708 1.713) 16.343 16.100 ( 14.687 0.375 -2.518) 14.906 16.278 ( 13.951 0.293 4.688) 14.720 16.477 ( 9.155 -5.630 -7.712) 13.228 22.628 ( 3.954 0.519 -1.836) 4.390 22.668 ( 3.984 -0.326 1.939) 4.443 22.783 ( 2.531 2.615 2.319) 4.316 22.926 ( 0.569 -2.520 0.414) 2.616 23.071 ( -0.341 2.315 2.247) 3.244 23.200 ( -4.498 -0.858 2.783) 5.358 23.297 ( -3.832 -0.594 -1.652) 4.215 23.366 ( -8.360 -1.141 5.774) 10.224 23.896 ( 3.179 -0.025 -3.028) 4.391 23.911 ( 2.963 -0.032 -3.906) 4.903 24.201 ( 2.378 0.114 -1.776) 2.970 24.310 ( -1.895 -3.741 -4.458) 6.120 24.552 ( -3.104 1.286 2.171) 4.000 24.593 ( -4.368 1.357 0.090) 4.575 24.684 ( -6.246 0.533 1.746) 6.507 24.732 ( -6.775 0.044 0.236) 6.779 ======================= Grid point 126 (68/84) ======================= q-point: ( 0.45 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 8.971 2.895 -8.190) 12.488 1.524 ( 5.206 3.363 -3.274) 7.009 1.600 ( -1.425 3.306 -1.199) 3.794 1.669 ( -2.545 1.826 -1.583) 3.509 1.786 ( 6.648 5.227 -1.868) 8.660 1.889 ( -0.800 7.843 0.649) 7.911 2.006 ( -1.127 -3.319 -2.061) 4.066 2.026 ( -1.504 -4.419 -1.544) 4.916 2.209 ( 2.832 3.801 1.494) 4.970 2.251 ( 1.147 -2.818 -1.026) 3.211 2.321 ( 2.311 -1.342 -1.494) 3.062 2.365 ( -0.745 -2.394 -1.373) 2.858 2.380 ( 0.275 -4.643 -0.097) 4.652 2.440 ( -0.408 -4.559 0.815) 4.649 2.529 ( -1.136 -0.212 -3.535) 3.719 2.621 ( -2.660 -1.081 -4.552) 5.382 2.794 ( -1.122 1.556 5.347) 5.680 2.896 ( -1.393 1.488 -3.608) 4.144 2.986 ( -1.851 -2.971 9.593) 10.212 3.079 ( 2.881 -5.047 -3.185) 6.627 3.237 ( -0.798 -0.523 8.202) 8.257 3.251 ( 2.964 -1.485 2.016) 3.880 3.310 ( 3.775 1.137 1.386) 4.179 3.361 ( -0.581 -0.839 0.204) 1.041 3.434 ( 1.835 2.285 0.686) 3.010 3.494 ( -2.328 2.496 0.814) 3.509 3.584 ( 0.253 1.121 -2.020) 2.324 3.629 ( -0.823 1.247 -3.314) 3.635 3.641 ( 2.107 -2.236 2.352) 3.869 3.732 ( -2.494 -3.451 0.058) 4.258 3.813 ( 3.131 2.390 1.832) 4.344 3.922 ( -1.947 -0.549 -0.589) 2.107 4.126 ( 1.930 -0.186 0.266) 1.957 4.168 ( -0.777 2.369 0.382) 2.523 4.236 ( 2.206 3.026 0.766) 3.822 4.282 ( 0.131 3.392 -2.274) 4.086 4.748 ( 0.690 2.649 2.673) 3.826 4.826 ( -1.850 1.748 1.278) 2.848 4.856 ( 0.561 0.671 -1.482) 1.721 4.990 ( -2.740 -1.529 -4.958) 5.868 5.168 ( 2.203 -6.576 1.814) 7.169 5.213 ( -0.021 -6.085 -0.694) 6.124 5.272 ( 0.494 -6.654 0.271) 6.678 5.315 ( -0.009 -7.418 -2.333) 7.777 5.663 ( 0.530 5.802 1.694) 6.068 5.695 ( 0.220 4.798 -1.163) 4.942 5.869 ( 2.633 5.035 3.354) 6.598 5.950 ( -0.420 2.949 -0.959) 3.129 7.000 ( 1.191 1.552 2.053) 2.836 7.055 ( 0.627 -0.355 4.847) 4.901 7.070 ( -0.584 2.123 -2.470) 3.309 7.202 ( -0.021 -2.312 -7.449) 7.799 8.147 ( 0.208 1.241 2.121) 2.466 8.184 ( 1.103 0.853 -2.007) 2.444 8.364 ( 2.087 -2.012 1.984) 3.513 8.422 ( -1.215 -3.451 -0.104) 3.660 8.850 ( -1.056 5.541 1.695) 5.889 8.871 ( 0.899 4.979 -2.091) 5.474 9.128 ( 0.125 -3.976 -0.533) 4.014 9.138 ( -1.616 -4.173 0.361) 4.489 10.503 ( -0.886 6.172 0.703) 6.275 10.514 ( 0.509 6.299 -1.506) 6.496 10.900 ( 2.093 -6.793 -1.323) 7.231 10.912 ( -1.128 -6.782 0.788) 6.920 11.170 ( 2.479 -0.994 -1.133) 2.901 11.208 ( -2.603 -2.730 0.226) 3.779 11.429 ( -0.329 0.664 1.901) 2.040 11.444 ( 0.419 0.529 -0.111) 0.684 11.995 ( 1.122 0.637 2.506) 2.818 12.025 ( 1.104 -0.485 0.079) 1.209 12.343 ( 1.266 0.470 0.273) 1.377 12.373 ( 0.862 -0.522 -2.103) 2.333 13.908 ( -0.067 9.999 1.982) 10.194 13.938 ( 1.092 10.692 -2.305) 10.992 14.393 ( -1.102 -7.345 2.867) 7.961 14.435 ( 0.100 -7.319 -2.742) 7.816 16.229 ( 6.275 1.799 2.150) 6.872 16.294 ( 4.408 0.180 -1.785) 4.759 16.481 ( 5.805 -0.118 2.835) 6.461 16.593 ( 2.701 -3.495 -5.259) 6.868 22.676 ( -0.538 1.387 3.945) 4.216 22.713 ( 2.027 1.254 -1.335) 2.732 22.849 ( 2.272 -0.893 4.280) 4.927 22.917 ( -1.085 -1.880 2.373) 3.216 23.078 ( -0.113 0.767 3.044) 3.142 23.131 ( -1.995 0.438 2.512) 3.237 23.218 ( -2.456 -0.079 -1.547) 2.904 23.273 ( -0.405 -1.126 -5.706) 5.830 23.937 ( 1.072 0.182 -2.647) 2.861 23.948 ( 0.844 0.188 -3.399) 3.507 24.233 ( 0.757 -0.526 -0.251) 0.955 24.278 ( -1.208 -1.937 -2.934) 3.717 24.523 ( -0.051 0.481 1.331) 1.416 24.539 ( -1.700 0.287 1.078) 2.034 24.601 ( -1.635 1.193 1.525) 2.534 24.632 ( -2.951 0.097 0.011) 2.953 ======================= Grid point 127 (69/84) ======================= q-point: (-0.45 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -6.217 3.778 -3.290) 7.985 1.562 ( -2.105 -0.226 -6.043) 6.403 1.639 ( -1.250 1.869 -3.587) 4.234 1.722 ( 4.671 3.701 -5.897) 8.384 1.782 ( -3.896 6.283 -3.032) 7.990 1.927 ( 5.113 5.574 -2.569) 7.988 1.975 ( -0.890 -4.527 -0.286) 4.622 2.039 ( 2.579 -1.869 -2.127) 3.830 2.242 ( -2.104 -0.543 -0.761) 2.303 2.249 ( -0.411 2.327 -0.087) 2.364 2.323 ( -2.575 -1.499 -0.357) 3.001 2.350 ( 0.094 -0.942 -1.943) 2.161 2.388 ( 0.709 -2.423 3.153) 4.039 2.409 ( -2.132 -3.815 -2.418) 4.995 2.510 ( -1.966 -1.965 1.016) 2.960 2.601 ( 2.012 -2.465 -4.599) 5.592 2.783 ( 0.106 -0.218 4.780) 4.786 2.908 ( 2.423 3.078 -3.240) 5.083 2.967 ( -0.610 -4.183 7.724) 8.805 3.123 ( 1.511 -3.330 -2.726) 4.562 3.218 ( -1.656 -0.118 7.884) 8.057 3.271 ( -3.215 -1.423 2.679) 4.421 3.291 ( -4.642 -0.491 3.754) 5.991 3.336 ( -0.477 -1.103 1.143) 1.659 3.435 ( -2.024 2.654 1.381) 3.612 3.488 ( 0.756 1.668 0.307) 1.857 3.559 ( -3.331 0.256 0.449) 3.371 3.594 ( 0.438 3.409 -0.460) 3.468 3.682 ( -1.703 -2.836 -1.059) 3.474 3.712 ( 3.228 -1.664 1.509) 3.932 3.842 ( -4.815 0.407 -0.988) 4.932 3.879 ( 1.905 -0.745 2.594) 3.304 4.139 ( -1.558 2.473 -0.609) 2.985 4.175 ( 2.505 0.271 0.053) 2.520 4.230 ( -1.133 2.821 0.236) 3.049 4.314 ( 1.383 3.774 -4.064) 5.716 4.768 ( 1.341 3.106 2.330) 4.107 4.810 ( 0.067 1.347 -1.111) 1.748 4.900 ( 2.787 0.061 0.885) 2.925 4.953 ( 0.491 -0.053 -5.605) 5.627 5.191 ( -0.318 -5.185 1.221) 5.336 5.195 ( -1.674 -6.489 -0.451) 6.716 5.271 ( -0.532 -7.979 1.043) 8.065 5.312 ( -0.142 -7.981 -2.654) 8.412 5.668 ( -0.181 5.102 1.493) 5.319 5.694 ( -0.158 5.140 -1.313) 5.307 5.896 ( -0.862 4.137 2.530) 4.926 5.928 ( -0.935 4.023 -0.659) 4.183 7.016 ( 0.122 1.287 2.413) 2.737 7.049 ( -1.173 2.285 -2.395) 3.512 7.065 ( -0.015 -0.316 5.309) 5.318 7.180 ( -1.561 -2.154 -6.944) 7.436 8.142 ( -0.869 1.717 1.618) 2.514 8.201 ( 0.616 0.482 -2.449) 2.571 8.380 ( -1.555 -2.887 0.793) 3.374 8.411 ( 1.030 -2.784 0.668) 3.042 8.832 ( -0.835 5.521 1.638) 5.819 8.886 ( 0.628 4.636 -1.702) 4.978 9.103 ( -0.376 -3.407 0.928) 3.551 9.168 ( 2.406 -4.302 -1.519) 5.157 10.480 ( -1.067 5.619 1.025) 5.811 10.537 ( 1.441 6.876 -1.794) 7.250 10.847 ( -3.384 -6.336 2.163) 7.501 10.972 ( 3.112 -7.982 -3.248) 9.162 11.157 ( -2.337 -0.369 -0.052) 2.367 11.219 ( 2.320 -2.641 -0.818) 3.609 11.414 ( -1.334 0.786 2.543) 2.977 11.448 ( -0.106 0.319 0.422) 0.539 12.007 ( -0.171 0.616 1.811) 1.920 12.032 ( -0.390 -0.363 -0.731) 0.904 12.338 ( -1.821 0.330 1.108) 2.157 12.359 ( -2.071 -0.420 -1.382) 2.525 13.891 ( -1.548 10.177 1.924) 10.473 13.954 ( 0.468 10.612 -2.202) 10.848 14.375 ( -0.712 -7.345 2.921) 7.937 14.449 ( 1.276 -7.401 -2.444) 7.898 16.241 ( -5.342 1.308 2.608) 6.087 16.269 ( -6.647 0.851 -1.193) 6.807 16.510 ( -3.142 -0.905 2.301) 3.999 16.577 ( -3.911 -2.837 -5.805) 7.553 22.630 ( -3.688 2.016 4.643) 6.263 22.733 ( -1.110 -0.822 1.055) 1.738 22.836 ( -2.229 -0.152 3.247) 3.941 22.902 ( -1.558 -0.200 5.205) 5.437 23.073 ( 0.618 -0.604 0.472) 0.985 23.111 ( -0.325 -0.634 4.204) 4.264 23.245 ( 4.481 1.911 -6.365) 8.015 23.341 ( 7.206 -1.639 -6.127) 9.600 23.930 ( -1.376 0.519 -2.166) 2.618 23.948 ( -0.697 0.187 -3.551) 3.624 24.237 ( -0.207 -1.547 1.063) 1.889 24.248 ( -1.904 -1.511 -1.836) 3.047 24.514 ( 0.146 1.227 1.841) 2.217 24.544 ( 1.436 -0.081 0.788) 1.639 24.617 ( 2.396 0.651 0.588) 2.552 24.629 ( 2.997 0.502 -0.121) 3.041 ======================= Grid point 128 (70/84) ======================= q-point: (-0.36 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( -5.164 2.892 -8.460) 10.325 1.477 ( -6.413 -0.391 -8.431) 10.600 1.503 ( -9.854 2.727 2.070) 10.432 1.695 ( -1.017 6.265 -3.145) 7.084 1.837 ( 1.833 -0.999 -1.788) 2.749 1.921 ( -4.905 2.203 -5.373) 7.601 2.007 ( 2.535 0.874 -4.716) 5.425 2.078 ( -0.365 0.084 -3.264) 3.285 2.158 ( -3.276 -3.519 2.056) 5.230 2.244 ( -2.458 0.808 0.052) 2.588 2.246 ( -3.411 -0.976 -1.204) 3.747 2.331 ( -1.962 -3.865 0.783) 4.404 2.384 ( 1.473 0.361 -5.148) 5.367 2.408 ( 0.589 0.078 5.699) 5.730 2.501 ( 1.626 -0.599 1.109) 2.058 2.641 ( 1.368 -1.257 -3.469) 3.935 2.811 ( 1.502 -2.050 2.298) 3.426 2.941 ( -0.794 1.123 2.335) 2.710 2.970 ( 0.330 -3.317 2.811) 4.360 3.096 ( -5.515 0.782 3.387) 6.519 3.144 ( -8.073 1.346 2.521) 8.564 3.178 ( -2.780 1.803 4.289) 5.419 3.211 ( -3.739 -5.451 5.749) 8.760 3.322 ( -1.038 -1.414 -0.541) 1.836 3.372 ( -3.390 -0.089 -0.194) 3.397 3.438 ( -3.996 -3.973 -0.896) 5.705 3.525 ( 0.144 2.629 3.747) 4.579 3.622 ( 1.478 6.044 -1.733) 6.459 3.670 ( 0.061 -3.242 -0.112) 3.244 3.724 ( -3.729 2.429 1.656) 4.749 3.792 ( 2.353 0.174 -0.299) 2.378 3.894 ( -0.855 -1.596 2.398) 3.005 4.104 ( -2.295 3.067 -0.457) 3.857 4.184 ( -0.914 -0.654 -2.277) 2.539 4.248 ( 1.358 0.988 -2.349) 2.888 4.304 ( -1.010 1.972 -1.649) 2.762 4.795 ( 1.382 2.607 -1.978) 3.552 4.837 ( 2.505 1.484 1.470) 3.261 4.952 ( 2.864 2.359 -1.145) 3.883 5.003 ( 2.727 2.443 -2.083) 4.212 5.154 ( -1.936 -6.457 0.745) 6.782 5.167 ( -1.041 -5.385 0.554) 5.513 5.255 ( -0.939 -8.537 -0.585) 8.609 5.304 ( -0.588 -8.329 -1.640) 8.509 5.658 ( -0.866 4.301 1.348) 4.590 5.688 ( -0.503 5.014 -1.822) 5.359 5.834 ( -4.182 5.058 -0.494) 6.582 5.931 ( 0.856 1.505 1.990) 2.638 7.004 ( -1.305 1.446 0.616) 2.043 7.029 ( -0.674 2.400 0.508) 2.544 7.061 ( -0.682 -0.356 4.210) 4.280 7.136 ( -2.258 -1.276 -5.348) 5.944 8.117 ( -1.631 1.820 0.880) 2.597 8.203 ( -0.347 -0.060 -2.656) 2.679 8.340 ( -2.210 -1.940 -0.272) 2.953 8.421 ( -0.501 -3.486 1.378) 3.782 8.823 ( 0.060 6.348 1.303) 6.481 8.895 ( 0.472 4.793 -0.956) 4.911 9.127 ( 2.772 -3.283 -0.540) 4.331 9.222 ( 3.047 -4.942 -0.853) 5.869 10.466 ( -0.261 4.712 0.776) 4.782 10.566 ( 1.622 7.584 -1.484) 7.896 10.780 ( -3.210 -5.939 1.204) 6.858 11.023 ( 2.102 -9.009 -2.984) 9.720 11.118 ( -1.471 1.525 -0.630) 2.210 11.254 ( 0.958 -3.968 0.013) 4.082 11.379 ( -2.226 1.406 2.892) 3.911 11.442 ( -0.429 -0.316 0.769) 0.936 11.992 ( -1.318 0.528 1.151) 1.828 12.010 ( -1.650 -0.196 -1.041) 1.961 12.275 ( -4.398 0.179 2.019) 4.843 12.291 ( -4.475 -0.399 -0.775) 4.559 13.856 ( -1.888 11.204 2.240) 11.581 13.951 ( -0.584 11.639 -2.414) 11.902 14.376 ( 0.790 -7.617 3.730) 8.518 14.480 ( 2.013 -7.731 -2.785) 8.460 16.018 ( -16.503 1.523 1.037) 16.605 16.047 ( -14.953 1.702 0.987) 15.082 16.358 ( -12.047 -1.783 3.214) 12.595 16.427 ( -10.526 -3.451 -8.796) 14.145 22.545 ( -4.896 1.836 4.692) 7.025 22.660 ( -5.503 -2.560 3.307) 6.912 22.806 ( -1.320 1.646 0.276) 2.128 22.856 ( -3.196 0.510 6.134) 6.935 23.108 ( 2.662 -1.031 -0.425) 2.887 23.131 ( 1.897 -1.063 4.718) 5.195 23.352 ( 5.897 3.573 -4.853) 8.431 23.517 ( 9.376 -2.498 -3.896) 10.456 23.889 ( -2.232 0.833 -2.641) 3.557 23.915 ( -1.998 0.264 -5.269) 5.641 24.197 ( -2.621 -1.915 -1.547) 3.597 24.232 ( -0.309 -3.884 2.835) 4.819 24.561 ( 4.409 2.098 1.256) 5.042 24.593 ( 3.766 0.989 0.105) 3.895 24.704 ( 6.153 0.305 -0.056) 6.161 24.726 ( 6.357 0.419 0.705) 6.410 ======================= Grid point 129 (71/84) ======================= q-point: (-0.27 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( -8.950 4.238 -6.701) 11.958 1.305 ( -9.203 7.085 5.959) 13.054 1.342 ( -3.976 1.756 -14.395) 15.037 1.622 ( -8.483 5.394 -3.771) 10.737 1.809 ( -1.774 -3.133 -8.502) 9.233 1.833 ( -2.813 -3.781 4.283) 6.368 1.959 ( -5.678 -4.423 -2.994) 7.796 2.049 ( -4.278 -2.558 -6.024) 7.818 2.125 ( -2.445 0.356 4.132) 4.814 2.171 ( -1.431 -1.267 -3.621) 4.095 2.196 ( -1.408 2.380 2.323) 3.611 2.294 ( -1.864 -1.517 1.155) 2.666 2.411 ( 0.358 2.233 5.313) 5.774 2.462 ( 3.828 2.474 -3.208) 5.574 2.553 ( 1.405 -0.765 -1.334) 2.084 2.632 ( -1.825 -1.581 0.499) 2.465 2.778 ( -6.743 -1.254 1.712) 7.069 2.881 ( -6.593 -3.787 5.195) 9.209 2.891 ( -7.343 0.002 3.886) 8.307 2.918 ( -9.321 2.567 5.542) 11.143 3.000 ( -5.481 1.075 -4.354) 7.082 3.146 ( -0.659 1.667 0.593) 1.888 3.150 ( -3.908 -3.934 1.577) 5.765 3.261 ( -0.924 -1.506 3.629) 4.037 3.347 ( -2.283 -3.673 3.279) 5.427 3.420 ( 2.645 -5.404 -2.132) 6.383 3.542 ( 0.441 2.990 0.004) 3.022 3.640 ( 1.046 5.589 -0.169) 5.689 3.651 ( -1.986 3.797 -0.743) 4.349 3.694 ( 0.700 -1.285 2.843) 3.197 3.817 ( -1.252 -0.734 -1.003) 1.764 3.883 ( 1.257 -1.646 1.361) 2.478 4.041 ( -3.578 3.242 -1.221) 4.981 4.154 ( -4.004 -1.626 -4.675) 6.367 4.196 ( -1.303 1.398 -2.544) 3.182 4.357 ( 4.021 0.365 2.006) 4.508 4.823 ( 0.024 0.802 -2.709) 2.826 4.872 ( 1.039 0.976 1.739) 2.249 4.973 ( -2.502 -2.575 -0.910) 3.704 5.029 ( 1.814 4.195 -1.249) 4.738 5.153 ( 2.443 0.001 1.636) 2.940 5.200 ( 3.371 -3.943 0.469) 5.209 5.241 ( -0.348 -8.094 -2.847) 8.587 5.299 ( 1.397 -7.117 0.315) 7.260 5.638 ( -1.208 3.717 1.162) 4.077 5.663 ( -1.916 4.023 -1.684) 4.763 5.761 ( -2.250 6.384 -0.680) 6.803 5.976 ( 3.678 -2.330 1.188) 4.513 6.976 ( -1.286 1.720 -0.767) 2.280 7.016 ( -0.777 2.104 2.182) 3.130 7.045 ( -0.968 -0.300 2.500) 2.698 7.090 ( -1.858 -0.253 -2.730) 3.312 8.081 ( -1.811 1.802 0.504) 2.604 8.183 ( -1.372 -0.749 -2.821) 3.225 8.294 ( -2.319 -1.285 -0.617) 2.722 8.391 ( -2.484 -3.508 1.271) 4.482 8.840 ( 1.648 8.163 0.764) 8.363 8.907 ( 0.805 5.829 -0.622) 5.917 9.209 ( 5.203 -3.813 -1.711) 6.674 9.288 ( 3.548 -5.220 -0.258) 6.317 10.473 ( 0.930 3.440 0.498) 3.598 10.602 ( 2.111 7.982 -1.049) 8.323 10.724 ( -2.326 -5.394 0.087) 5.875 11.052 ( 0.779 -9.041 -2.696) 9.467 11.099 ( -0.285 1.827 -0.998) 2.101 11.247 ( -1.742 -3.165 1.156) 3.793 11.329 ( -2.921 1.919 2.694) 4.413 11.438 ( 0.088 -2.452 0.709) 2.554 11.962 ( -1.518 0.400 0.920) 1.820 11.970 ( -2.085 0.003 -0.340) 2.113 12.170 ( -5.980 -0.068 2.503) 6.483 12.186 ( -5.727 -0.528 -0.758) 5.801 13.825 ( -1.266 13.219 2.942) 13.602 13.932 ( -0.937 13.904 -2.999) 14.255 14.418 ( 3.186 -7.904 4.948) 9.854 14.528 ( 3.050 -7.983 -3.221) 9.133 15.616 ( -22.584 2.193 0.966) 22.711 15.686 ( -20.330 1.786 0.955) 20.430 16.040 ( -19.421 -2.472 5.479) 20.330 16.142 ( -16.974 -4.540 -13.697) 22.279 22.446 ( -5.069 1.505 5.069) 7.326 22.542 ( -6.097 -2.157 2.527) 6.944 22.766 ( -2.874 1.211 0.420) 3.146 22.784 ( -4.320 0.739 5.875) 7.330 23.170 ( 2.971 -0.950 4.309) 5.320 23.188 ( 3.471 -1.267 1.439) 3.965 23.449 ( 3.350 5.257 -2.328) 6.654 23.642 ( 1.226 -1.381 3.996) 4.402 23.853 ( -0.614 1.400 -3.894) 4.184 23.890 ( 0.429 0.285 -8.943) 8.958 24.180 ( 2.722 -4.677 -5.552) 7.753 24.238 ( 1.082 -7.540 5.589) 9.448 24.683 ( 7.346 2.358 0.635) 7.741 24.698 ( 6.450 2.140 -0.190) 6.799 24.858 ( 9.147 0.701 -0.535) 9.189 24.881 ( 8.852 0.725 1.548) 9.016 ======================= Grid point 130 (72/84) ======================= q-point: (-0.18 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.987 ( -10.687 8.279 -0.881) 13.548 1.146 ( -6.604 11.489 13.004) 18.566 1.302 ( -1.444 -0.924 -20.620) 20.692 1.420 ( -7.869 8.822 -11.085) 16.205 1.747 ( -5.054 -3.958 5.441) 8.415 1.784 ( -3.116 -6.598 -0.768) 7.337 1.847 ( -5.239 -7.335 -0.186) 9.015 1.886 ( -10.209 -4.387 -0.286) 11.115 2.035 ( -6.531 1.106 4.526) 8.022 2.099 ( -3.951 -1.629 4.142) 5.952 2.235 ( -4.912 1.016 3.368) 6.042 2.270 ( 5.419 3.530 -8.172) 10.421 2.416 ( -0.684 1.308 6.411) 6.579 2.446 ( -5.760 2.218 -2.914) 6.826 2.502 ( -3.165 3.083 -0.260) 4.426 2.564 ( -10.395 3.239 -0.578) 10.903 2.614 ( -2.835 -3.979 -0.486) 4.910 2.686 ( -7.065 -4.127 1.851) 8.389 2.807 ( -4.871 0.215 -0.756) 4.934 2.860 ( 3.664 1.904 1.689) 4.461 2.901 ( -3.488 -2.519 -3.011) 5.252 3.032 ( -6.308 1.018 -0.969) 6.462 3.123 ( -4.056 -3.376 4.397) 6.869 3.239 ( -3.660 -5.943 4.682) 8.405 3.344 ( 3.285 -0.413 0.903) 3.432 3.476 ( 2.121 -4.161 -2.331) 5.219 3.549 ( 1.045 1.770 -3.731) 4.260 3.577 ( -4.904 3.791 1.336) 6.341 3.659 ( -0.637 5.710 -0.394) 5.759 3.719 ( 1.044 0.164 2.712) 2.911 3.807 ( 1.101 -4.255 -2.651) 5.132 3.897 ( -1.743 -2.878 -0.845) 3.470 3.995 ( 0.395 3.057 -0.963) 3.229 4.070 ( -1.533 2.059 -4.675) 5.334 4.214 ( 1.853 -0.046 3.337) 3.817 4.422 ( 1.605 -0.857 1.182) 2.169 4.786 ( -1.564 -0.516 0.236) 1.664 4.889 ( 0.127 0.778 0.680) 1.041 4.925 ( -0.978 -5.959 -0.814) 6.094 5.051 ( 0.067 2.077 -1.103) 2.353 5.206 ( -0.503 -4.028 -2.115) 4.578 5.235 ( 3.857 -1.215 1.097) 4.189 5.279 ( 3.227 -0.003 -0.403) 3.252 5.385 ( 5.481 -1.776 1.800) 6.036 5.596 ( -2.655 4.222 0.100) 4.989 5.644 ( 0.576 2.759 0.189) 2.825 5.767 ( 3.297 5.605 -0.161) 6.505 6.071 ( 5.188 -5.340 -0.581) 7.468 6.955 ( -0.761 1.738 -1.112) 2.199 6.996 ( -1.428 1.694 2.013) 2.994 7.031 ( -0.437 -0.174 1.337) 1.417 7.060 ( -0.961 0.028 -0.520) 1.093 8.051 ( -1.069 1.627 0.590) 2.034 8.150 ( -1.580 -1.044 -2.588) 3.207 8.248 ( -2.013 -1.212 -1.027) 2.565 8.333 ( -3.147 -3.370 0.794) 4.679 8.893 ( 3.477 10.577 0.082) 11.134 8.929 ( 1.596 7.938 -0.922) 8.149 9.316 ( 5.032 -3.564 -1.992) 6.480 9.361 ( 3.541 -4.215 -0.378) 5.518 10.506 ( 2.285 1.730 0.338) 2.886 10.653 ( 2.603 5.602 0.465) 6.195 10.691 ( -0.386 -2.797 -2.026) 3.475 11.037 ( -2.272 -5.746 -1.253) 6.305 11.106 ( 0.700 0.274 -1.346) 1.542 11.194 ( -3.610 -0.845 1.207) 3.899 11.279 ( -1.313 0.060 1.611) 2.079 11.440 ( -0.231 -5.174 0.668) 5.222 11.929 ( -2.007 0.352 1.574) 2.574 11.941 ( -0.356 0.225 1.009) 1.094 12.049 ( -5.939 -0.490 2.555) 6.484 12.076 ( -4.612 -0.962 -1.375) 4.908 13.808 ( -0.845 16.078 3.381) 16.452 13.918 ( -0.070 17.759 -3.931) 18.189 14.504 ( 4.622 -7.404 5.503) 10.318 14.600 ( 4.160 -7.286 -2.925) 8.885 15.154 ( -22.170 1.888 1.007) 22.273 15.272 ( -19.741 0.824 -0.523) 19.765 15.611 ( -22.786 -3.079 8.387) 24.475 15.734 ( -22.109 -4.834 -17.701) 28.732 22.355 ( -4.148 1.278 5.523) 7.024 22.430 ( -4.779 -1.556 1.500) 5.245 22.687 ( -5.009 0.772 2.664) 5.726 22.693 ( -4.900 0.751 3.108) 5.851 23.227 ( 2.226 -0.489 7.883) 8.206 23.261 ( 3.402 -1.890 -0.121) 3.894 23.472 ( -0.581 4.956 0.389) 5.005 23.597 ( -4.039 0.191 4.545) 6.083 23.851 ( -1.101 2.837 0.431) 3.074 23.894 ( 1.678 3.441 -10.645) 11.312 24.278 ( 4.039 -12.162 7.868) 15.038 24.336 ( 9.990 -11.193 -8.696) 17.341 24.838 ( 7.029 3.336 1.124) 7.861 24.840 ( 7.742 2.142 -1.181) 8.119 25.065 ( 11.152 1.194 -0.377) 11.222 25.079 ( 10.579 1.102 1.915) 10.807 ======================= Grid point 131 (73/84) ======================= q-point: (-0.09 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -5.195 11.060 6.344) 13.768 1.067 ( -2.558 14.306 17.268) 22.570 1.185 ( -6.265 2.634 -16.450) 17.798 1.366 ( 0.711 5.967 -18.236) 19.201 1.588 ( -13.204 -1.956 13.325) 18.861 1.644 ( -7.040 -4.604 8.376) 11.871 1.703 ( -6.217 -7.500 8.061) 12.645 1.795 ( -0.594 -7.560 -7.696) 10.804 1.917 ( -4.175 2.729 5.101) 7.134 2.029 ( -4.175 -0.474 2.842) 5.073 2.120 ( -3.906 -2.980 3.767) 6.191 2.302 ( -4.728 -1.127 -3.019) 5.722 2.339 ( -1.654 3.371 -10.733) 11.371 2.402 ( -2.896 -0.761 3.808) 4.844 2.446 ( 1.382 4.269 3.379) 5.617 2.472 ( 0.026 8.123 -2.386) 8.467 2.509 ( -2.905 -2.799 -3.337) 5.235 2.663 ( -0.273 -3.510 -9.294) 9.938 2.738 ( 0.305 1.199 -0.810) 1.479 2.827 ( -4.489 0.579 -0.042) 4.527 2.907 ( -1.243 -0.242 0.228) 1.287 2.971 ( -8.976 -3.055 5.755) 11.091 3.000 ( 4.725 -3.021 -0.187) 5.612 3.191 ( -1.801 -1.955 -3.142) 4.116 3.407 ( 2.379 0.392 0.980) 2.603 3.464 ( -3.380 -0.576 3.403) 4.831 3.504 ( -0.604 0.466 -5.100) 5.157 3.579 ( 0.449 -3.133 -2.585) 4.087 3.634 ( -0.397 4.663 -0.550) 4.712 3.709 ( -2.178 -0.134 1.918) 2.905 3.809 ( -1.182 -5.047 -2.942) 5.961 3.849 ( -1.429 -2.888 -2.999) 4.401 4.032 ( 1.748 3.287 1.992) 4.222 4.090 ( 2.352 3.016 -2.484) 4.560 4.254 ( 1.486 -0.970 7.513) 7.719 4.412 ( -2.072 -4.191 -0.260) 4.683 4.810 ( 3.459 -1.196 1.680) 4.027 4.884 ( -1.027 -1.636 -0.011) 1.932 4.947 ( 3.520 -4.126 0.308) 5.432 5.041 ( -0.571 0.085 -0.103) 0.586 5.200 ( 0.208 -0.621 -1.141) 1.315 5.290 ( -0.181 -2.132 -1.557) 2.646 5.334 ( 3.221 4.988 0.898) 6.005 5.452 ( -0.246 -0.612 1.024) 1.218 5.574 ( 1.383 5.521 1.477) 5.880 5.671 ( 1.696 3.797 -2.030) 4.627 5.894 ( 8.181 0.619 3.747) 9.020 6.155 ( 2.476 -6.780 -2.082) 7.513 6.947 ( 0.150 1.880 -1.162) 2.215 6.963 ( -1.860 1.670 1.809) 3.086 7.030 ( -0.002 -0.395 2.008) 2.046 7.052 ( 0.191 -0.941 -0.972) 1.366 8.043 ( 0.254 1.164 1.005) 1.559 8.120 ( -1.274 -0.723 -1.964) 2.450 8.218 ( -0.664 -1.886 -1.420) 2.453 8.271 ( -3.028 -3.254 0.208) 4.450 8.955 ( 1.885 10.132 1.194) 10.374 8.988 ( 4.428 13.149 -4.230) 14.505 9.395 ( 2.775 -1.615 -1.460) 3.528 9.414 ( 1.269 -1.999 -0.555) 2.433 10.561 ( 2.921 -0.248 0.361) 2.954 10.653 ( -1.093 -2.903 0.120) 3.104 10.760 ( 5.665 4.961 -2.172) 7.837 10.968 ( -4.082 -1.705 0.076) 4.424 11.102 ( -4.717 1.377 2.731) 5.622 11.118 ( 0.421 1.213 -3.272) 3.515 11.301 ( 2.895 -5.464 -0.072) 6.184 11.420 ( -1.914 -6.862 0.471) 7.139 11.893 ( -1.545 0.684 2.520) 3.034 11.942 ( -2.428 1.175 -0.294) 2.714 11.960 ( -0.046 -2.284 3.448) 4.136 12.014 ( -1.568 -1.380 -0.845) 2.253 13.793 ( -0.940 19.424 4.360) 19.930 13.927 ( 1.276 22.848 -7.389) 24.046 14.587 ( 2.627 -4.558 3.630) 6.392 14.666 ( 1.391 -3.675 -1.435) 4.184 14.788 ( -12.720 0.030 0.222) 12.722 14.923 ( -15.335 -2.140 -2.465) 15.678 15.195 ( -17.713 -4.011 10.403) 20.930 15.313 ( -13.385 -5.006 -15.571) 21.134 22.296 ( -1.923 1.444 5.570) 6.067 22.367 ( -1.351 -1.194 -0.109) 1.806 22.588 ( -4.463 0.726 3.527) 5.735 22.601 ( -3.725 0.377 0.306) 3.756 23.264 ( 0.671 -0.095 9.685) 9.709 23.313 ( 1.518 -1.898 1.477) 2.845 23.453 ( -0.666 3.026 1.172) 3.313 23.530 ( -2.432 0.547 1.770) 3.057 23.807 ( -2.644 2.856 3.706) 5.374 23.945 ( 3.417 8.126 -13.973) 16.522 24.365 ( 3.245 -19.017 12.788) 23.146 24.523 ( 7.780 -13.958 -9.208) 18.443 24.960 ( 4.457 3.791 1.311) 5.996 24.973 ( 5.153 2.563 -1.674) 5.994 25.283 ( 9.479 -0.212 -0.515) 9.495 25.292 ( 9.500 -0.322 2.178) 9.752 ======================= Grid point 132 (74/84) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -4.316 -7.377 1.743) 8.723 1.002 ( -4.316 7.377 1.743) 8.723 1.305 ( -4.772 -12.595 14.053) 19.465 1.305 ( -4.772 12.595 14.053) 19.465 1.512 ( 3.073 -0.655 1.646) 3.547 1.512 ( 3.073 0.655 1.646) 3.547 1.625 ( 3.259 -9.818 -10.236) 14.553 1.625 ( 3.259 9.818 -10.236) 14.553 1.963 ( -0.427 -4.930 9.569) 10.773 1.963 ( -0.427 4.930 9.569) 10.773 2.101 ( -0.816 -6.121 6.958) 9.303 2.101 ( -0.816 6.121 6.958) 9.303 2.390 ( -2.167 -2.929 -5.639) 6.714 2.390 ( -2.167 2.929 -5.639) 6.714 2.473 ( 1.862 -7.303 -13.873) 15.788 2.473 ( 1.862 7.303 -13.873) 15.788 2.585 ( 1.500 -0.541 -0.714) 1.747 2.585 ( 1.500 0.541 -0.714) 1.747 2.792 ( 1.571 -1.878 -0.363) 2.476 2.792 ( 1.571 1.878 -0.363) 2.476 2.858 ( -1.014 -1.876 4.654) 5.119 2.858 ( -1.014 1.876 4.654) 5.119 3.114 ( 2.662 -3.251 -7.231) 8.363 3.114 ( 2.662 3.251 -7.231) 8.363 3.444 ( -1.479 -3.356 -0.503) 3.701 3.444 ( -1.479 3.356 -0.503) 3.701 3.534 ( -0.142 -6.827 2.051) 7.130 3.534 ( -0.142 6.827 2.051) 7.130 3.607 ( 0.828 -6.594 -3.135) 7.348 3.607 ( 0.828 6.594 -3.135) 7.348 3.762 ( -2.113 -2.390 -0.217) 3.197 3.762 ( -2.113 2.390 -0.217) 3.197 4.132 ( -1.303 -2.595 3.067) 4.223 4.132 ( -1.303 2.595 3.067) 4.223 4.299 ( 0.719 -2.756 3.715) 4.681 4.299 ( 0.719 2.756 3.715) 4.681 4.803 ( -0.349 -0.408 -0.099) 0.546 4.803 ( -0.349 0.408 -0.099) 0.546 5.010 ( 0.867 -0.492 0.667) 1.200 5.010 ( 0.867 0.492 0.667) 1.200 5.258 ( -0.255 -1.333 -0.467) 1.435 5.258 ( -0.255 1.333 -0.467) 1.435 5.429 ( -0.104 -0.308 0.267) 0.421 5.429 ( -0.104 0.308 0.267) 0.421 5.719 ( 1.448 -2.578 0.103) 2.958 5.719 ( 1.448 2.578 0.103) 2.958 6.010 ( -1.448 -3.462 0.368) 3.770 6.010 ( -1.448 3.462 0.368) 3.770 6.971 ( -0.722 -1.587 1.713) 2.445 6.971 ( -0.722 1.587 1.713) 2.445 7.030 ( 0.964 -1.822 -1.391) 2.487 7.030 ( 0.964 1.822 -1.391) 2.487 8.082 ( -0.053 -1.148 -0.244) 1.175 8.082 ( -0.053 1.148 -0.244) 1.175 8.184 ( -0.286 -0.740 -0.389) 0.884 8.184 ( -0.286 0.740 -0.389) 0.884 9.171 ( 0.144 -4.255 -0.302) 4.268 9.171 ( 0.144 4.255 -0.302) 4.268 9.401 ( -0.947 -1.880 -1.954) 2.873 9.401 ( -0.947 1.880 -1.954) 2.873 10.596 ( 0.286 -0.416 -0.333) 0.605 10.596 ( 0.286 0.416 -0.333) 0.605 10.908 ( -0.541 -0.416 -1.385) 1.545 10.908 ( -0.541 0.416 -1.385) 1.545 11.107 ( 0.312 -3.261 0.208) 3.283 11.107 ( 0.312 3.261 0.208) 3.283 11.268 ( 0.641 -1.763 -1.429) 2.358 11.268 ( 0.641 1.763 -1.429) 2.358 11.903 ( 0.527 -0.667 1.752) 1.948 11.903 ( 0.527 0.667 1.752) 1.948 11.968 ( -0.472 -0.711 0.710) 1.110 11.968 ( -0.472 0.711 0.710) 1.110 14.200 ( -1.350 -11.819 3.302) 12.346 14.200 ( -1.350 11.819 3.302) 12.346 14.589 ( 0.434 -3.211 -1.288) 3.487 14.589 ( 0.434 3.211 -1.288) 3.487 14.680 ( 0.375 -0.526 0.329) 0.725 14.680 ( 0.375 0.526 0.329) 0.725 15.019 ( 2.071 -12.309 -11.043) 16.666 15.019 ( 2.071 12.309 -11.043) 16.666 22.330 ( 0.751 -2.088 1.640) 2.759 22.330 ( 0.751 2.088 1.640) 2.759 22.566 ( 1.261 -1.063 -0.592) 1.752 22.566 ( 1.261 1.063 -0.592) 1.752 23.286 ( -0.535 -1.607 5.456) 5.713 23.286 ( -0.535 1.607 5.456) 5.713 23.508 ( 1.446 -1.407 -1.810) 2.710 23.508 ( 1.446 1.407 -1.810) 2.710 23.924 ( -4.390 -14.146 17.565) 22.976 23.924 ( -4.390 14.146 17.565) 22.976 24.295 ( 2.604 -13.969 -13.752) 19.774 24.295 ( 2.604 13.969 -13.752) 19.774 25.049 ( -0.441 -0.965 0.295) 1.101 25.049 ( -0.441 0.965 0.295) 1.101 25.369 ( -0.013 -0.486 0.561) 0.742 25.369 ( -0.013 0.486 0.561) 0.742 ======================= Grid point 134 (75/84) ======================= q-point: ( 0.09 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.933 ( -1.623 -2.419 7.639) 8.176 0.933 ( -1.623 2.419 7.639) 8.176 1.299 ( 2.964 -11.739 11.413) 16.638 1.299 ( 2.964 11.739 11.413) 16.638 1.632 ( 7.283 -2.300 -2.473) 8.028 1.632 ( 7.283 2.300 -2.473) 8.028 1.698 ( 4.146 -9.569 -7.442) 12.811 1.698 ( 4.146 9.569 -7.442) 12.811 2.007 ( 4.072 -5.336 7.774) 10.271 2.007 ( 4.072 5.336 7.774) 10.271 2.128 ( 3.194 -3.082 9.121) 10.144 2.128 ( 3.194 3.082 9.121) 10.144 2.371 ( 0.587 -4.143 -5.589) 6.982 2.371 ( 0.587 4.143 -5.589) 6.982 2.505 ( 2.090 -7.687 -10.218) 12.956 2.505 ( 2.090 7.687 -10.218) 12.956 2.642 ( 4.186 -2.421 -1.996) 5.232 2.642 ( 4.186 2.421 -1.996) 5.232 2.825 ( 1.824 -0.872 -4.807) 5.214 2.825 ( 1.824 0.872 -4.807) 5.214 2.890 ( 3.376 -1.763 2.563) 4.590 2.890 ( 3.376 1.763 2.563) 4.590 3.164 ( 3.588 -2.302 -7.761) 8.855 3.164 ( 3.588 2.302 -7.761) 8.855 3.402 ( -2.979 -2.604 2.631) 4.752 3.402 ( -2.979 2.604 2.631) 4.752 3.545 ( 0.842 -3.572 0.601) 3.718 3.545 ( 0.842 3.572 0.601) 3.718 3.653 ( 3.603 -6.931 -2.688) 8.261 3.653 ( 3.603 6.931 -2.688) 8.261 3.737 ( 0.014 -1.761 3.328) 3.765 3.737 ( 0.014 1.761 3.328) 3.765 4.076 ( -3.912 -2.820 4.032) 6.286 4.076 ( -3.912 2.820 4.032) 6.286 4.325 ( 1.038 -1.934 2.748) 3.517 4.325 ( 1.038 1.934 2.748) 3.517 4.795 ( -0.375 -1.915 0.344) 1.982 4.795 ( -0.375 1.915 0.344) 1.982 5.003 ( -1.071 -2.986 -0.955) 3.313 5.003 ( -1.071 2.986 -0.955) 3.313 5.225 ( -2.534 -1.770 -0.182) 3.096 5.225 ( -2.534 1.770 -0.182) 3.096 5.430 ( -0.535 -2.522 0.438) 2.615 5.430 ( -0.535 2.522 0.438) 2.615 5.714 ( -1.877 -3.334 -2.717) 4.693 5.714 ( -1.877 3.334 -2.717) 4.693 5.945 ( -4.056 -3.901 2.985) 6.370 5.945 ( -4.056 3.901 2.985) 6.370 6.962 ( -0.187 -2.249 1.804) 2.889 6.962 ( -0.187 2.249 1.804) 2.889 7.059 ( 1.806 -2.382 -1.973) 3.582 7.059 ( 1.806 2.382 -1.973) 3.582 8.079 ( 0.013 -0.629 -0.202) 0.661 8.079 ( 0.013 0.629 -0.202) 0.661 8.204 ( 2.046 -2.442 0.240) 3.195 8.204 ( 2.046 2.442 0.240) 3.195 9.139 ( -2.896 -5.034 -0.569) 5.835 9.139 ( -2.896 5.034 -0.569) 5.835 9.334 ( -5.108 -4.447 0.063) 6.773 9.334 ( -5.108 4.447 0.063) 6.773 10.598 ( -0.037 -2.039 -0.971) 2.258 10.598 ( -0.037 2.039 -0.971) 2.258 10.865 ( -2.715 -6.118 -0.017) 6.693 10.865 ( -2.715 6.118 -0.017) 6.693 11.137 ( 1.891 -3.503 -0.653) 4.034 11.137 ( 1.891 3.503 -0.653) 4.034 11.299 ( 2.403 -2.816 -1.747) 4.093 11.299 ( 2.403 2.816 -1.747) 4.093 11.934 ( 0.270 -1.744 2.917) 3.409 11.934 ( 0.270 1.744 2.917) 3.409 11.964 ( 2.584 -2.130 -0.746) 3.431 11.964 ( 2.584 2.130 -0.746) 3.431 14.152 ( -2.416 -11.109 3.281) 11.833 14.152 ( -2.416 11.109 3.281) 11.833 14.546 ( -4.999 -4.164 -1.013) 6.584 14.546 ( -4.999 4.164 -1.013) 6.584 14.853 ( 16.097 -1.860 1.361) 16.261 14.853 ( 16.097 1.860 1.361) 16.261 15.228 ( 17.332 -16.111 -13.029) 27.013 15.228 ( 17.332 16.111 -13.029) 27.013 22.363 ( 2.673 -1.794 0.370) 3.240 22.363 ( 2.673 1.794 0.370) 3.240 22.644 ( 5.633 -2.332 -2.799) 6.708 22.644 ( 5.633 2.332 -2.799) 6.708 23.271 ( -1.177 -2.326 4.430) 5.141 23.271 ( -1.177 2.326 4.430) 5.141 23.556 ( 2.883 -2.580 -1.649) 4.205 23.556 ( 2.883 2.580 -1.649) 4.205 23.821 ( -6.385 -10.753 17.858) 21.801 23.821 ( -6.385 10.753 17.858) 21.801 24.302 ( -0.787 -12.441 -12.851) 17.904 24.302 ( -0.787 12.441 -12.851) 17.904 24.984 ( -5.683 -2.032 1.135) 6.141 24.984 ( -5.683 2.032 1.135) 6.141 25.285 ( -7.769 -1.861 0.530) 8.007 25.285 ( -7.769 1.861 0.530) 8.007 ======================= Grid point 136 (76/84) ======================= q-point: ( 0.18 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 4.964 -1.473 7.156) 8.832 0.972 ( 4.964 1.473 7.156) 8.832 1.416 ( 7.522 -6.677 8.170) 12.958 1.416 ( 7.522 6.677 8.170) 12.958 1.725 ( 3.115 -7.579 0.898) 8.243 1.725 ( 3.115 7.579 0.898) 8.243 1.803 ( 5.889 -7.273 -10.127) 13.789 1.803 ( 5.889 7.273 -10.127) 13.789 2.082 ( 1.538 -4.244 3.331) 5.610 2.082 ( 1.538 4.244 3.331) 5.610 2.273 ( 9.020 -9.590 7.901) 15.354 2.273 ( 9.020 9.590 7.901) 15.354 2.397 ( 3.156 -0.681 -3.668) 4.886 2.397 ( 3.156 0.681 -3.668) 4.886 2.518 ( -0.731 -4.917 -1.551) 5.207 2.518 ( -0.731 4.917 -1.551) 5.207 2.736 ( 4.382 -2.435 -2.836) 5.760 2.736 ( 4.382 2.435 -2.836) 5.760 2.880 ( 3.512 -2.300 -7.756) 8.819 2.880 ( 3.512 2.300 -7.756) 8.819 2.977 ( 6.511 -2.899 -2.046) 7.415 2.977 ( 6.511 2.899 -2.046) 7.415 3.258 ( 5.165 -2.898 -4.979) 7.737 3.258 ( 5.165 2.898 -4.979) 7.737 3.324 ( -4.688 -3.610 3.474) 6.861 3.324 ( -4.688 3.610 3.474) 6.861 3.567 ( 1.723 -5.114 3.039) 6.194 3.567 ( 1.723 5.114 3.039) 6.194 3.698 ( -0.142 -4.192 0.327) 4.207 3.698 ( -0.142 4.192 0.327) 4.207 3.791 ( 4.790 -4.959 -0.132) 6.896 3.791 ( 4.790 4.959 -0.132) 6.896 4.012 ( -1.581 -2.137 3.516) 4.408 4.012 ( -1.581 2.137 3.516) 4.408 4.325 ( -1.458 -4.716 2.053) 5.346 4.325 ( -1.458 4.716 2.053) 5.346 4.800 ( 1.452 -2.938 0.456) 3.309 4.800 ( 1.452 2.938 0.456) 3.309 4.990 ( -0.204 -5.404 -1.184) 5.536 4.990 ( -0.204 5.404 -1.184) 5.536 5.170 ( -2.537 -2.785 -0.224) 3.774 5.170 ( -2.537 2.785 -0.224) 3.774 5.371 ( -5.762 -3.562 -0.484) 6.792 5.371 ( -5.762 3.562 -0.484) 6.792 5.674 ( -0.640 -2.657 -2.120) 3.459 5.674 ( -0.640 2.657 -2.120) 3.459 5.888 ( -1.601 -6.930 2.786) 7.639 5.888 ( -1.601 6.930 2.786) 7.639 6.967 ( 0.588 -2.149 1.825) 2.880 6.967 ( 0.588 2.149 1.825) 2.880 7.094 ( 1.748 -2.544 -2.545) 4.001 7.094 ( 1.748 2.544 -2.545) 4.001 8.089 ( 1.046 -1.059 0.055) 1.490 8.089 ( 1.046 1.059 0.055) 1.490 8.256 ( 2.801 -3.287 0.545) 4.352 8.256 ( 2.801 3.287 0.545) 4.352 9.074 ( -3.139 -5.193 -0.949) 6.142 9.074 ( -3.139 5.193 -0.949) 6.142 9.221 ( -5.652 -5.964 1.231) 8.309 9.221 ( -5.652 5.964 1.231) 8.309 10.599 ( 0.334 -4.285 -1.673) 4.612 10.599 ( 0.334 4.285 -1.673) 4.612 10.818 ( -1.873 -8.919 0.776) 9.146 10.818 ( -1.873 8.919 0.776) 9.146 11.164 ( 0.766 -4.611 -0.676) 4.723 11.164 ( 0.766 4.611 -0.676) 4.723 11.352 ( 2.758 -2.126 -1.285) 3.712 11.352 ( 2.758 2.126 -1.285) 3.712 11.926 ( -0.123 -0.643 2.828) 2.902 11.926 ( -0.123 0.643 2.828) 2.902 12.068 ( 6.493 -1.573 -0.985) 6.753 12.068 ( 6.493 1.573 -0.985) 6.753 14.124 ( -0.676 -8.911 2.782) 9.360 14.124 ( -0.676 8.911 2.782) 9.360 14.426 ( -6.164 -6.680 -2.129) 9.335 14.426 ( -6.164 6.680 -2.129) 9.335 15.251 ( 22.111 -3.275 2.241) 22.464 15.251 ( 22.111 3.275 2.241) 22.464 15.625 ( 21.442 -13.248 -9.925) 27.088 15.625 ( 21.442 13.248 -9.925) 27.088 22.440 ( 4.765 -0.974 -0.382) 4.878 22.440 ( 4.765 0.974 -0.382) 4.878 22.753 ( 4.855 -3.114 -2.918) 6.464 22.753 ( 4.855 3.114 -2.918) 6.464 23.243 ( -1.999 -4.052 2.765) 5.297 23.243 ( -1.999 4.052 2.765) 5.297 23.568 ( -3.600 -9.367 8.555) 13.187 23.568 ( -3.600 9.367 8.555) 13.187 23.753 ( 0.685 -3.110 5.139) 6.045 23.753 ( 0.685 3.110 5.139) 6.045 24.262 ( -1.810 -9.257 -10.660) 14.233 24.262 ( -1.810 9.257 -10.660) 14.233 24.845 ( -7.703 -2.619 1.593) 8.291 24.845 ( -7.703 2.619 1.593) 8.291 25.091 ( -10.715 -2.338 0.434) 10.976 25.091 ( -10.715 2.338 0.434) 10.976 ======================= Grid point 138 (77/84) ======================= q-point: ( 0.27 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 9.540 -1.928 2.247) 9.989 1.126 ( 9.540 1.928 2.247) 9.989 1.588 ( 8.318 -4.410 4.289) 10.346 1.588 ( 8.318 4.410 4.289) 10.346 1.805 ( 4.572 -5.196 2.650) 7.411 1.805 ( 4.572 5.196 2.650) 7.411 1.899 ( 4.117 -7.268 -8.050) 11.601 1.899 ( 4.117 7.268 -8.050) 11.601 2.095 ( 0.721 -2.512 2.066) 3.332 2.095 ( 0.721 2.512 2.066) 3.332 2.338 ( -0.481 -4.578 -5.260) 6.990 2.338 ( -0.481 4.578 -5.260) 6.990 2.439 ( -2.742 -3.145 3.760) 5.617 2.439 ( -2.742 3.145 3.760) 5.617 2.574 ( 5.268 -2.776 -1.296) 6.094 2.574 ( 5.268 2.776 -1.296) 6.094 2.805 ( 3.772 -1.045 -0.174) 3.918 2.805 ( 3.772 1.045 -0.174) 3.918 2.967 ( 5.240 -2.453 -0.275) 5.792 2.967 ( 5.240 2.453 -0.275) 5.792 3.113 ( 4.624 -1.833 -2.210) 5.442 3.113 ( 4.624 1.833 -2.210) 5.442 3.243 ( -2.243 -4.284 1.802) 5.160 3.243 ( -2.243 4.284 1.802) 5.160 3.341 ( 4.316 -1.136 -4.183) 6.116 3.341 ( 4.316 1.136 -4.183) 6.116 3.620 ( 0.960 -2.475 1.355) 2.980 3.620 ( 0.960 2.475 1.355) 2.980 3.673 ( -0.179 -1.037 2.357) 2.581 3.673 ( -0.179 1.037 2.357) 2.581 3.859 ( 1.791 -3.495 -1.394) 4.167 3.859 ( 1.791 3.495 -1.394) 4.167 4.054 ( 4.776 -0.916 2.231) 5.350 4.054 ( 4.776 0.916 2.231) 5.350 4.276 ( -2.813 -7.002 1.066) 7.621 4.276 ( -2.813 7.002 1.066) 7.621 4.853 ( 2.779 -5.738 1.292) 6.505 4.853 ( 2.779 5.738 1.292) 6.505 4.973 ( -1.409 -6.347 -0.118) 6.502 4.973 ( -1.409 6.347 -0.118) 6.502 5.125 ( -2.607 -5.116 -0.178) 5.745 5.125 ( -2.607 5.116 -0.178) 5.745 5.244 ( -4.558 -2.830 -2.198) 5.798 5.244 ( -4.558 2.830 -2.198) 5.798 5.691 ( 1.768 -0.667 -0.271) 1.909 5.691 ( 1.768 0.667 -0.271) 1.909 5.882 ( 0.745 -5.699 1.291) 5.891 5.882 ( 0.745 5.699 1.291) 5.891 6.987 ( 1.139 -1.984 2.001) 3.039 6.987 ( 1.139 1.984 2.001) 3.039 7.122 ( 1.177 -2.841 -3.216) 4.450 7.122 ( 1.177 2.841 -3.216) 4.450 8.119 ( 1.782 -1.336 0.438) 2.270 8.119 ( 1.782 1.336 0.438) 2.270 8.309 ( 2.244 -3.709 0.580) 4.374 8.309 ( 2.244 3.709 0.580) 4.374 9.019 ( -2.181 -4.772 -1.603) 5.487 9.019 ( -2.181 4.772 -1.603) 5.487 9.123 ( -4.039 -6.345 1.841) 7.744 9.123 ( -4.039 6.345 1.841) 7.744 10.611 ( 0.988 -5.823 -2.020) 6.242 10.611 ( 0.988 5.823 -2.020) 6.242 10.789 ( -1.239 -9.643 0.987) 9.773 10.789 ( -1.239 9.643 0.987) 9.773 11.170 ( -0.015 -4.677 -0.272) 4.685 11.170 ( -0.015 4.677 -0.272) 4.685 11.402 ( 2.116 -0.915 -0.693) 2.407 11.402 ( 2.116 0.915 -0.693) 2.407 11.941 ( 1.384 -0.596 2.756) 3.141 11.941 ( 1.384 0.596 2.756) 3.141 12.201 ( 6.296 -1.405 -1.372) 6.595 12.201 ( 6.296 1.405 -1.372) 6.595 14.122 ( 0.237 -6.535 2.070) 6.859 14.122 ( 0.237 6.535 2.070) 6.859 14.317 ( -4.152 -6.142 -2.243) 7.745 14.317 ( -4.152 6.142 -2.243) 7.745 15.698 ( 21.148 -3.770 1.792) 21.556 15.698 ( 21.148 3.770 1.792) 21.556 16.031 ( 18.611 -9.142 -5.695) 21.503 16.031 ( 18.611 9.142 -5.695) 21.503 22.545 ( 5.450 -0.380 -0.421) 5.479 22.545 ( 5.450 0.380 -0.421) 5.479 22.826 ( 2.518 -3.663 -1.460) 4.679 22.826 ( 2.518 3.663 -1.460) 4.679 23.193 ( -3.009 -4.999 2.488) 6.343 23.193 ( -3.009 4.999 2.488) 6.343 23.456 ( -6.857 -5.641 8.957) 12.612 23.456 ( -6.857 5.641 8.957) 12.612 23.821 ( 4.506 -1.463 -1.814) 5.073 23.821 ( 4.506 1.463 -1.814) 5.073 24.232 ( -0.388 -5.741 -7.306) 9.300 24.232 ( -0.388 5.741 -7.306) 9.300 24.696 ( -6.839 -2.312 1.518) 7.377 24.696 ( -6.839 2.312 1.518) 7.377 24.881 ( -9.698 -2.047 0.635) 9.932 24.881 ( -9.698 2.047 0.635) 9.932 ======================= Grid point 140 (78/84) ======================= q-point: ( 0.36 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 11.657 -1.343 -3.678) 12.297 1.342 ( 11.657 1.343 -3.678) 12.297 1.720 ( 3.480 -4.581 0.587) 5.783 1.720 ( 3.480 4.581 0.587) 5.783 1.844 ( -0.571 -3.802 0.744) 3.915 1.844 ( -0.571 3.802 0.744) 3.915 1.995 ( 5.226 -4.312 -1.646) 6.972 1.995 ( 5.226 4.312 -1.646) 6.972 2.133 ( 2.769 -1.201 -1.021) 3.186 2.133 ( 2.769 1.201 -1.021) 3.186 2.316 ( -0.464 -1.924 -1.949) 2.778 2.316 ( -0.464 1.924 -1.949) 2.778 2.376 ( -2.899 -3.605 1.815) 4.969 2.376 ( -2.899 3.605 1.815) 4.969 2.606 ( -0.762 -3.424 -5.548) 6.564 2.606 ( -0.762 3.424 -5.548) 6.564 2.867 ( 1.483 -4.549 2.693) 5.490 2.867 ( 1.483 4.549 2.693) 5.490 3.002 ( -1.924 -1.658 2.382) 3.482 3.002 ( -1.924 1.658 2.382) 3.482 3.220 ( 4.397 -2.853 2.047) 5.627 3.220 ( 4.397 2.853 2.047) 5.627 3.229 ( 2.852 -1.798 2.728) 4.337 3.229 ( 2.852 1.798 2.728) 4.337 3.447 ( 4.745 -2.623 -5.842) 7.970 3.447 ( 4.745 2.623 -5.842) 7.970 3.590 ( -0.563 -2.073 1.514) 2.628 3.590 ( -0.563 2.073 1.514) 2.628 3.698 ( -0.476 -4.019 0.747) 4.116 3.698 ( -0.476 4.019 0.747) 4.116 3.882 ( 0.609 -3.373 -0.511) 3.465 3.882 ( 0.609 3.373 -0.511) 3.465 4.137 ( 2.427 -3.011 0.306) 3.879 4.137 ( 2.427 3.011 0.306) 3.879 4.254 ( 1.230 -4.671 1.471) 5.049 4.254 ( 1.230 4.671 1.471) 5.049 4.866 ( -1.395 -5.956 0.173) 6.120 4.866 ( -1.395 5.956 0.173) 6.120 4.941 ( -2.343 -2.987 2.100) 4.338 4.941 ( -2.343 2.987 2.100) 4.338 5.085 ( 0.380 -4.775 -0.352) 4.803 5.085 ( 0.380 4.775 -0.352) 4.803 5.208 ( -0.308 -2.067 -3.170) 3.797 5.208 ( -0.308 2.067 -3.170) 3.797 5.725 ( 1.436 -0.855 0.117) 1.676 5.725 ( 1.436 0.855 0.117) 1.676 5.915 ( 2.265 -4.085 0.911) 4.759 5.915 ( 2.265 4.085 0.911) 4.759 7.013 ( 1.217 -1.735 2.439) 3.231 7.013 ( 1.217 1.735 2.439) 3.231 7.136 ( 0.464 -3.259 -3.862) 5.075 7.136 ( 0.464 3.259 -3.862) 5.075 8.156 ( 1.697 -1.402 0.633) 2.290 8.156 ( 1.697 1.402 0.633) 2.290 8.342 ( 1.016 -3.371 0.543) 3.562 8.342 ( 1.016 3.371 0.543) 3.562 8.987 ( -0.971 -3.071 -2.113) 3.852 8.987 ( -0.971 3.071 -2.113) 3.852 9.062 ( -2.177 -4.564 2.100) 5.475 9.062 ( -2.177 4.564 2.100) 5.475 10.631 ( 1.004 -5.259 -1.732) 5.627 10.631 ( 1.004 5.259 -1.732) 5.627 10.769 ( -0.741 -7.585 0.698) 7.653 10.769 ( -0.741 7.585 0.698) 7.653 11.169 ( -0.026 -3.220 -0.170) 3.225 11.169 ( -0.026 3.220 -0.170) 3.225 11.433 ( 0.963 -0.270 0.016) 1.000 11.433 ( 0.963 0.270 0.016) 1.000 11.978 ( 1.872 -0.749 2.351) 3.098 11.978 ( 1.872 0.749 2.351) 3.098 12.306 ( 4.105 -1.107 -1.470) 4.499 12.306 ( 4.105 1.107 -1.470) 4.499 14.131 ( 0.489 -4.550 1.273) 4.750 14.131 ( 0.489 4.550 1.273) 4.750 14.258 ( -1.744 -4.603 -1.533) 5.156 14.258 ( -1.744 4.603 -1.533) 5.156 16.068 ( 14.872 -3.130 1.260) 15.250 16.068 ( 14.872 3.130 1.260) 15.250 16.343 ( 12.376 -5.671 -3.063) 13.954 16.343 ( 12.376 5.671 -3.063) 13.954 22.649 ( 4.583 -1.215 0.527) 4.770 22.649 ( 4.583 1.215 0.527) 4.770 22.856 ( 0.742 -3.736 0.013) 3.809 22.856 ( 0.742 3.736 0.013) 3.809 23.140 ( -2.158 -3.741 3.417) 5.507 23.140 ( -2.158 3.741 3.417) 5.507 23.325 ( -6.202 -2.321 2.094) 6.945 23.325 ( -6.202 2.321 2.094) 6.945 23.902 ( 3.324 -0.551 -2.625) 4.271 23.902 ( 3.324 0.551 -2.625) 4.271 24.234 ( 0.641 -2.881 -4.144) 5.088 24.234 ( 0.641 2.881 -4.144) 5.088 24.585 ( -4.082 -1.460 1.324) 4.533 24.585 ( -4.082 1.460 1.324) 4.533 24.716 ( -6.583 -1.546 0.882) 6.819 24.716 ( -6.583 1.546 0.882) 6.819 ======================= Grid point 142 (79/84) ======================= q-point: ( 0.45 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.568 ( 10.043 -0.847 -6.795) 12.155 1.568 ( 10.043 0.847 -6.795) 12.155 1.679 ( -5.158 -2.484 -0.910) 5.797 1.679 ( -5.158 2.484 -0.910) 5.797 1.887 ( 3.048 -4.540 -0.443) 5.486 1.887 ( 3.048 4.541 -0.443) 5.486 2.000 ( -2.741 -0.609 -3.268) 4.309 2.000 ( -2.741 0.609 -3.268) 4.309 2.227 ( 4.737 -4.937 1.065) 6.925 2.227 ( 4.737 4.937 1.065) 6.925 2.324 ( 0.775 -3.808 0.656) 3.941 2.324 ( 0.775 3.808 0.656) 3.941 2.342 ( -0.377 -1.498 -0.122) 1.550 2.342 ( -0.377 1.498 -0.122) 1.550 2.560 ( -3.031 -2.988 -5.501) 6.956 2.560 ( -3.031 2.988 -5.501) 6.956 2.869 ( -1.306 -5.246 7.419) 9.180 2.869 ( -1.306 5.246 7.419) 9.180 2.977 ( 0.356 -4.244 -3.263) 5.365 2.977 ( 0.356 4.244 -3.263) 5.365 3.234 ( 0.643 -0.251 6.005) 6.045 3.234 ( 0.643 0.251 6.005) 6.045 3.335 ( 2.126 -1.296 1.129) 2.734 3.335 ( 2.126 1.296 1.129) 2.734 3.494 ( 1.472 -2.624 0.439) 3.041 3.494 ( 1.472 2.624 0.439) 3.041 3.615 ( -0.489 -1.558 -1.290) 2.081 3.615 ( -0.489 1.558 -1.290) 2.081 3.659 ( -0.547 -2.738 -0.230) 2.802 3.659 ( -0.546 2.738 -0.230) 2.802 3.876 ( -0.967 -3.042 -0.268) 3.203 3.876 ( -0.967 3.042 -0.268) 3.203 4.168 ( 0.965 -2.854 0.423) 3.042 4.168 ( 0.965 2.854 0.423) 3.043 4.295 ( 1.817 -2.319 0.382) 2.970 4.295 ( 1.817 2.319 0.382) 2.970 4.836 ( -0.953 -2.340 -0.495) 2.575 4.836 ( -0.954 2.340 -0.495) 2.575 4.906 ( -0.561 -4.577 1.208) 4.767 4.906 ( -0.561 4.577 1.208) 4.767 5.113 ( 1.290 -1.836 0.531) 2.306 5.113 ( 1.290 1.836 0.531) 2.306 5.196 ( -0.788 -1.469 -3.115) 3.533 5.196 ( -0.788 1.469 -3.115) 3.533 5.745 ( 0.518 -0.896 0.076) 1.037 5.745 ( 0.518 0.896 0.076) 1.037 5.957 ( 1.355 -2.416 0.784) 2.879 5.957 ( 1.355 2.416 0.784) 2.879 7.035 ( 0.757 -1.438 3.077) 3.479 7.035 ( 0.757 1.438 3.077) 3.479 7.135 ( -0.344 -3.550 -4.236) 5.537 7.135 ( -0.344 3.550 -4.236) 5.537 8.183 ( 0.884 -1.427 0.463) 1.741 8.183 ( 0.884 1.427 0.463) 1.741 8.353 ( 0.213 -1.890 0.412) 1.946 8.353 ( 0.213 1.890 0.412) 1.946 8.969 ( -0.896 -1.007 -0.906) 1.624 8.969 ( -0.896 1.007 -0.906) 1.624 9.041 ( 0.052 -0.571 0.754) 0.947 9.041 ( 0.052 0.571 0.754) 0.947 10.641 ( -0.041 -0.945 -0.625) 1.133 10.641 ( -0.041 0.945 -0.625) 1.133 10.763 ( 0.149 -0.961 -0.219) 0.997 10.763 ( 0.149 0.961 -0.219) 0.997 11.170 ( 0.176 -0.895 -0.470) 1.026 11.170 ( 0.176 0.895 -0.470) 1.026 11.442 ( -0.004 -0.506 0.740) 0.896 11.442 ( -0.004 0.506 0.740) 0.896 12.011 ( 1.131 -0.767 1.665) 2.154 12.011 ( 1.131 0.767 1.665) 2.154 12.358 ( 1.067 -0.805 -1.090) 1.725 12.358 ( 1.067 0.805 -1.090) 1.725 14.140 ( 0.147 -5.234 1.049) 5.340 14.140 ( 0.147 5.234 1.049) 5.340 14.238 ( -0.347 -5.501 -1.149) 5.630 14.238 ( -0.347 5.501 -1.149) 5.630 16.275 ( 5.212 -1.975 1.157) 5.693 16.275 ( 5.212 1.975 1.157) 5.693 16.512 ( 4.484 -3.199 -2.150) 5.913 16.512 ( 4.484 3.199 -2.150) 5.913 22.712 ( 1.015 -1.491 3.005) 3.505 22.712 ( 1.015 1.491 3.005) 3.505 22.864 ( 0.319 -2.316 0.264) 2.353 22.864 ( 0.319 2.316 0.264) 2.353 23.111 ( -1.551 -1.863 5.652) 6.150 23.111 ( -1.551 1.863 5.652) 6.150 23.240 ( -0.964 -1.704 -5.149) 5.508 23.240 ( -0.964 1.704 -5.149) 5.508 23.945 ( 1.069 -0.401 -2.722) 2.952 23.945 ( 1.069 0.401 -2.722) 2.952 24.240 ( -0.097 -1.264 -1.838) 2.233 24.240 ( -0.097 1.264 -1.838) 2.233 24.535 ( -1.115 -0.508 1.297) 1.785 24.535 ( -1.115 0.508 1.297) 1.785 24.626 ( -2.226 -0.811 0.616) 2.447 24.626 ( -2.226 0.811 0.616) 2.447 ======================= Grid point 144 (80/84) ======================= q-point: (-0.45 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -6.493 -3.040 -3.957) 8.189 1.536 ( -6.493 3.040 -3.957) 8.189 1.725 ( 1.558 -4.959 -3.699) 6.380 1.725 ( 1.558 4.959 -3.699) 6.380 1.880 ( -0.012 -5.645 -2.045) 6.004 1.880 ( -0.012 5.645 -2.045) 6.004 2.018 ( 3.293 -2.223 -4.151) 5.746 2.018 ( 3.293 2.223 -4.151) 5.746 2.248 ( -2.193 -1.664 -0.491) 2.796 2.248 ( -2.193 1.664 -0.491) 2.796 2.316 ( -2.290 -1.382 -0.827) 2.800 2.316 ( -2.290 1.382 -0.827) 2.800 2.367 ( 1.920 -1.381 2.380) 3.356 2.367 ( 1.920 1.381 2.380) 3.356 2.516 ( 0.141 -3.400 -4.253) 5.447 2.516 ( 0.141 3.400 -4.253) 5.447 2.846 ( -0.921 -5.437 6.357) 8.415 2.846 ( -0.921 5.437 6.357) 8.415 3.010 ( 2.755 -5.857 -3.249) 7.243 3.010 ( 2.755 5.857 -3.249) 7.243 3.235 ( -1.511 -1.330 7.458) 7.725 3.235 ( -1.511 1.330 7.458) 7.725 3.308 ( -4.128 -1.130 2.366) 4.890 3.308 ( -4.128 1.130 2.366) 4.890 3.496 ( -3.072 -1.319 -0.414) 3.369 3.496 ( -3.072 1.319 -0.414) 3.369 3.585 ( 0.360 -2.702 1.138) 2.954 3.585 ( 0.360 2.702 1.138) 2.954 3.680 ( 1.241 -1.721 -1.401) 2.542 3.680 ( 1.240 1.721 -1.401) 2.542 3.858 ( -0.671 -1.201 1.101) 1.762 3.858 ( -0.671 1.201 1.101) 1.762 4.174 ( -0.235 -1.206 -0.310) 1.267 4.174 ( -0.235 1.206 -0.310) 1.267 4.313 ( -0.260 -3.570 -0.897) 3.690 4.313 ( -0.260 3.570 -0.897) 3.690 4.840 ( 1.423 -1.133 -0.661) 1.936 4.840 ( 1.423 1.133 -0.661) 1.936 4.924 ( 2.343 -1.956 -0.398) 3.078 4.924 ( 2.343 1.956 -0.398) 3.078 5.120 ( -0.907 -0.364 0.847) 1.293 5.120 ( -0.907 0.364 0.847) 1.293 5.174 ( -1.102 -1.834 -2.161) 3.041 5.174 ( -1.102 1.834 -2.161) 3.041 5.746 ( -0.437 -0.990 0.046) 1.083 5.746 ( -0.437 0.990 0.046) 1.083 5.961 ( -1.063 -1.164 0.449) 1.639 5.961 ( -1.063 1.164 0.449) 1.639 7.045 ( -0.043 -1.235 3.354) 3.574 7.045 ( -0.043 1.235 3.354) 3.574 7.118 ( -1.041 -3.408 -3.865) 5.258 7.118 ( -1.041 3.408 -3.865) 5.258 8.189 ( -0.318 -2.043 -0.073) 2.069 8.189 ( -0.318 2.043 -0.073) 2.069 8.354 ( -0.136 -1.386 0.336) 1.433 8.354 ( -0.136 1.386 0.336) 1.433 8.952 ( -0.570 -3.168 0.566) 3.268 8.952 ( -0.570 3.168 0.566) 3.268 9.059 ( 1.542 -3.561 -0.797) 3.962 9.059 ( 1.542 3.561 -0.797) 3.962 10.630 ( -1.012 -5.703 0.322) 5.802 10.630 ( -1.012 5.703 0.322) 5.802 10.773 ( 0.819 -7.310 -1.011) 7.425 10.773 ( 0.819 7.310 -1.011) 7.425 11.174 ( 0.173 -1.526 -0.849) 1.755 11.174 ( 0.173 1.526 -0.849) 1.755 11.436 ( -0.693 -1.087 1.361) 1.874 11.436 ( -0.693 1.087 1.361) 1.874 12.021 ( -0.259 -0.651 0.866) 1.114 12.021 ( -0.259 0.651 0.866) 1.114 12.348 ( -1.964 -0.573 -0.302) 2.068 12.348 ( -1.964 0.573 -0.302) 2.068 14.136 ( -0.604 -8.541 1.338) 8.667 14.136 ( -0.604 8.541 1.338) 8.667 14.240 ( 0.567 -8.790 -1.247) 8.896 14.240 ( 0.567 8.790 -1.247) 8.896 16.271 ( -5.695 -0.948 1.426) 5.946 16.271 ( -5.695 0.948 1.426) 5.946 16.517 ( -3.890 -1.958 -2.464) 5.004 16.517 ( -3.890 1.958 -2.464) 5.004 22.686 ( -3.452 -2.924 4.569) 6.430 22.686 ( -3.452 2.924 4.569) 6.430 22.869 ( -0.301 -2.391 0.995) 2.607 22.869 ( -0.301 2.391 0.995) 2.607 23.085 ( -0.532 -1.361 3.905) 4.169 23.085 ( -0.532 1.361 3.905) 4.169 23.295 ( 6.038 -2.498 -6.323) 9.093 23.295 ( 6.038 2.498 -6.323) 9.093 23.944 ( -0.903 -0.576 -2.777) 2.976 23.944 ( -0.903 0.576 -2.777) 2.976 24.222 ( -1.588 -0.437 -0.272) 1.669 24.222 ( -1.588 0.437 -0.272) 1.669 24.536 ( 1.218 -0.703 1.185) 1.839 24.536 ( 1.218 0.703 1.185) 1.839 24.631 ( 2.573 -0.406 0.178) 2.611 24.631 ( 2.573 0.406 0.178) 2.611 ======================= Grid point 146 (81/84) ======================= q-point: (-0.36 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -5.599 -3.744 -8.590) 10.916 1.408 ( -5.599 3.744 -8.590) 10.916 1.660 ( -5.331 -9.146 2.941) 10.987 1.660 ( -5.331 9.146 2.941) 10.987 1.888 ( -2.091 -7.908 -2.185) 8.467 1.888 ( -2.091 7.908 -2.185) 8.467 2.071 ( 0.633 -1.683 -6.657) 6.896 2.071 ( 0.633 1.683 -6.657) 6.896 2.152 ( -4.837 -4.426 -2.124) 6.892 2.152 ( -4.837 4.426 -2.124) 6.892 2.270 ( -1.629 -0.882 1.207) 2.211 2.270 ( -1.629 0.882 1.207) 2.211 2.410 ( 2.201 -0.639 2.275) 3.229 2.410 ( 2.201 0.639 2.275) 3.229 2.551 ( 2.776 -4.994 -4.188) 7.085 2.551 ( 2.776 4.994 -4.189) 7.085 2.839 ( -0.719 -4.521 3.328) 5.660 2.839 ( -0.719 4.521 3.328) 5.660 3.054 ( 0.189 -5.464 0.519) 5.492 3.054 ( 0.189 5.464 0.519) 5.492 3.151 ( -7.465 -1.198 7.024) 10.320 3.151 ( -7.465 1.198 7.024) 10.320 3.241 ( -1.329 -4.141 3.310) 5.466 3.241 ( -1.329 4.141 3.310) 5.466 3.392 ( -6.039 -0.887 -1.773) 6.356 3.392 ( -6.039 0.887 -1.773) 6.356 3.594 ( 0.348 -3.538 1.168) 3.742 3.594 ( 0.348 3.538 1.168) 3.742 3.708 ( 1.009 -2.872 -0.532) 3.090 3.708 ( 1.009 2.872 -0.532) 3.090 3.850 ( -0.390 -3.081 1.837) 3.609 3.850 ( -0.390 3.081 1.837) 3.609 4.166 ( -0.648 -1.985 -1.834) 2.779 4.166 ( -0.648 1.985 -1.834) 2.779 4.283 ( -2.089 -2.453 -1.048) 3.388 4.283 ( -2.089 2.453 -1.048) 3.388 4.881 ( 2.126 -0.800 -0.628) 2.357 4.881 ( 2.126 0.800 -0.628) 2.357 4.992 ( 3.141 -2.920 -2.167) 4.805 4.992 ( 3.141 2.920 -2.167) 4.805 5.088 ( -0.658 -2.204 -0.076) 2.301 5.088 ( -0.658 2.204 -0.076) 2.301 5.155 ( -0.642 -2.732 0.420) 2.838 5.155 ( -0.642 2.732 0.420) 2.838 5.729 ( -1.224 -1.300 -0.146) 1.791 5.729 ( -1.224 1.300 -0.146) 1.791 5.922 ( -2.306 -2.523 0.312) 3.432 5.922 ( -2.306 2.523 0.312) 3.432 7.037 ( -0.891 -1.331 2.296) 2.800 7.037 ( -0.891 1.331 2.296) 2.800 7.092 ( -1.142 -2.637 -2.085) 3.550 7.092 ( -1.142 2.637 -2.085) 3.550 8.171 ( -1.386 -2.796 -0.714) 3.201 8.171 ( -1.386 2.796 -0.714) 3.201 8.345 ( -0.998 -2.744 0.362) 2.942 8.345 ( -0.998 2.744 0.362) 2.942 8.956 ( 1.045 -3.395 0.818) 3.645 8.956 ( 1.045 3.395 0.818) 3.645 9.098 ( 2.436 -4.310 -1.258) 5.108 9.098 ( 2.436 4.310 -1.258) 5.108 10.606 ( -1.188 -7.391 0.393) 7.497 10.606 ( -1.188 7.391 0.393) 7.497 10.792 ( 1.100 -10.777 -1.210) 10.900 10.792 ( 1.100 10.777 -1.210) 10.900 11.175 ( -0.029 -3.278 -0.908) 3.402 11.175 ( -0.029 3.278 -0.908) 3.402 11.415 ( -1.481 -1.754 1.722) 2.870 11.415 ( -1.481 1.754 1.722) 2.870 12.003 ( -1.468 -0.461 0.324) 1.572 12.003 ( -1.468 0.461 0.324) 1.572 12.282 ( -4.498 -0.435 0.451) 4.541 12.282 ( -4.498 0.435 0.451) 4.541 14.125 ( -0.321 -10.442 1.758) 10.594 14.125 ( -0.321 10.442 1.758) 10.594 14.257 ( 1.275 -10.610 -1.373) 10.774 14.257 ( 1.275 10.610 -1.373) 10.774 16.056 ( -15.372 -1.260 2.049) 15.559 16.056 ( -15.372 1.260 2.049) 15.559 16.355 ( -11.876 -2.180 -3.862) 12.677 16.355 ( -11.876 2.180 -3.862) 12.677 22.598 ( -5.279 -2.928 4.383) 7.460 22.598 ( -5.279 2.928 4.383) 7.460 22.845 ( -2.122 -1.523 2.300) 3.480 22.845 ( -2.122 1.523 2.300) 3.480 23.106 ( 2.171 -0.851 2.788) 3.635 23.106 ( 2.171 0.851 2.788) 3.635 23.441 ( 8.081 -4.284 -4.713) 10.289 23.441 ( 8.081 4.284 -4.713) 10.289 23.910 ( -1.959 -0.790 -3.810) 4.356 23.910 ( -1.959 0.790 -3.810) 4.356 24.177 ( -2.748 -0.693 0.909) 2.976 24.177 ( -2.748 0.693 0.909) 2.976 24.594 ( 4.585 -0.927 0.405) 4.695 24.594 ( 4.585 0.927 0.405) 4.695 24.721 ( 6.297 -0.856 0.380) 6.366 24.721 ( 6.297 0.856 0.380) 6.366 ======================= Grid point 148 (82/84) ======================= q-point: (-0.27 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -4.812 -4.128 -11.374) 13.022 1.299 ( -4.812 4.128 -11.374) 13.022 1.547 ( -5.982 -12.897 5.374) 15.199 1.547 ( -5.982 12.897 5.374) 15.199 1.799 ( -5.540 -7.034 0.173) 8.955 1.799 ( -5.540 7.034 0.173) 8.955 1.944 ( -8.342 -5.176 -7.650) 12.446 1.944 ( -8.342 5.176 -7.650) 12.446 2.136 ( -1.522 -0.705 1.820) 2.475 2.136 ( -1.522 0.705 1.820) 2.475 2.266 ( 1.347 -1.832 -1.116) 2.533 2.266 ( 1.347 1.832 -1.116) 2.533 2.457 ( 2.244 -3.075 2.179) 4.386 2.457 ( 2.244 3.075 2.179) 4.386 2.582 ( -0.473 -2.939 -3.860) 4.875 2.582 ( -0.473 2.939 -3.860) 4.875 2.783 ( -6.453 -2.511 3.735) 7.868 2.783 ( -6.453 2.511 3.735) 7.868 2.965 ( -7.757 -3.770 1.376) 8.733 2.965 ( -7.757 3.770 1.376) 8.733 3.011 ( -4.672 -4.291 2.304) 6.749 3.011 ( -4.672 4.291 2.304) 6.749 3.238 ( -3.249 -1.874 4.918) 6.184 3.238 ( -3.249 1.874 4.918) 6.184 3.310 ( 0.976 -2.323 -1.481) 2.923 3.310 ( 0.976 2.323 -1.481) 2.923 3.609 ( 0.802 -3.383 0.950) 3.605 3.609 ( 0.802 3.383 0.950) 3.605 3.717 ( 0.236 -1.063 -1.286) 1.685 3.717 ( 0.236 1.063 -1.286) 1.685 3.833 ( -1.406 -2.162 0.995) 2.764 3.833 ( -1.406 2.162 0.995) 2.764 4.120 ( -3.589 -2.561 -3.180) 5.437 4.120 ( -3.589 2.561 -3.180) 5.437 4.275 ( 1.671 -5.721 0.913) 6.029 4.275 ( 1.671 5.721 0.913) 6.029 4.880 ( -3.054 -2.871 -0.283) 4.201 4.880 ( -3.054 2.871 -0.283) 4.201 4.997 ( -0.100 -8.315 -2.608) 8.714 4.997 ( -0.100 8.315 -2.608) 8.714 5.133 ( 1.410 -4.935 -1.021) 5.233 5.133 ( 1.410 4.935 -1.021) 5.233 5.195 ( 6.736 -2.499 2.003) 7.459 5.195 ( 6.736 2.499 2.003) 7.459 5.694 ( -2.216 -1.028 -0.447) 2.483 5.694 ( -2.216 1.028 -0.447) 2.483 5.893 ( -0.086 -5.308 0.301) 5.317 5.893 ( -0.086 5.308 0.301) 5.317 7.016 ( -1.211 -1.609 0.660) 2.119 7.016 ( -1.211 1.609 0.660) 2.119 7.070 ( -1.044 -1.671 0.047) 1.971 7.070 ( -1.044 1.671 0.047) 1.971 8.137 ( -1.841 -3.066 -1.110) 3.745 8.137 ( -1.841 3.066 -1.110) 3.745 8.312 ( -2.171 -3.009 0.301) 3.722 8.312 ( -2.171 3.009 0.301) 3.722 8.995 ( 2.765 -2.454 0.540) 3.736 8.995 ( 2.765 2.454 0.540) 3.736 9.160 ( 3.998 -3.409 -1.465) 5.455 9.160 ( 3.998 3.409 -1.465) 5.455 10.587 ( -0.690 -6.572 0.045) 6.608 10.587 ( -0.690 6.572 0.045) 6.608 10.815 ( 1.312 -11.262 -1.252) 11.407 10.815 ( 1.312 11.262 -1.252) 11.407 11.170 ( -0.457 -3.736 -0.498) 3.797 11.170 ( -0.457 3.736 -0.498) 3.797 11.378 ( -2.274 -2.710 1.589) 3.878 11.378 ( -2.274 2.710 1.589) 3.878 11.969 ( -1.771 -0.203 0.560) 1.868 11.969 ( -1.771 0.203 0.560) 1.868 12.174 ( -6.021 -0.439 0.635) 6.070 12.174 ( -6.021 0.439 0.635) 6.070 14.130 ( 0.733 -10.528 1.704) 10.691 14.130 ( 0.733 10.528 1.704) 10.691 14.297 ( 3.066 -10.373 -0.844) 10.850 14.297 ( 3.066 10.373 -0.844) 10.850 15.679 ( -21.588 -2.660 2.959) 21.952 15.679 ( -21.588 2.660 2.959) 21.952 16.043 ( -18.563 -3.374 -6.293) 19.889 16.043 ( -18.563 3.374 -6.293) 19.889 22.490 ( -5.518 -2.426 4.081) 7.279 22.490 ( -5.518 2.426 4.081) 7.279 22.788 ( -3.719 -0.554 2.848) 4.717 22.788 ( -3.719 0.554 2.848) 4.717 23.164 ( 3.194 -0.572 3.226) 4.576 23.164 ( 3.194 0.572 3.226) 4.576 23.571 ( 3.635 -5.202 0.069) 6.346 23.571 ( 3.635 5.202 0.069) 6.346 23.886 ( 1.036 -1.013 -6.607) 6.764 23.886 ( 1.036 1.013 -6.607) 6.764 24.127 ( -1.793 -1.382 0.855) 2.420 24.127 ( -1.793 1.382 0.855) 2.420 24.715 ( 7.177 -0.653 -0.288) 7.213 24.715 ( 7.177 0.653 -0.288) 7.213 24.880 ( 9.347 -0.849 0.707) 9.412 24.880 ( 9.347 0.849 0.707) 9.412 ======================= Grid point 150 (83/84) ======================= q-point: (-0.18 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -5.507 -9.013 -10.786) 15.096 1.188 ( -5.507 9.013 -10.786) 15.096 1.445 ( -4.038 -12.967 8.873) 16.223 1.445 ( -4.038 12.967 8.873) 16.223 1.691 ( -4.842 -6.478 -5.306) 9.673 1.691 ( -4.842 6.478 -5.306) 9.673 1.774 ( -8.710 -3.286 -2.215) 9.569 1.774 ( -8.710 3.286 -2.215) 9.569 2.067 ( -4.581 -1.657 6.938) 8.477 2.067 ( -4.581 1.657 6.938) 8.477 2.282 ( -1.749 -2.689 1.224) 3.434 2.282 ( -1.749 2.689 1.224) 3.434 2.471 ( -2.349 -4.563 -2.998) 5.943 2.471 ( -2.349 4.563 -2.998) 5.943 2.520 ( -3.915 -2.858 -2.775) 5.585 2.520 ( -3.915 2.858 -2.775) 5.585 2.626 ( -5.291 -1.225 2.911) 6.162 2.626 ( -5.291 1.225 2.911) 6.162 2.825 ( -5.013 -3.175 -1.455) 6.110 2.825 ( -5.013 3.175 -1.455) 6.110 2.992 ( 1.241 -7.268 -3.697) 8.248 2.992 ( 1.241 7.268 -3.697) 8.248 3.112 ( -7.894 -2.952 8.635) 12.066 3.112 ( -7.894 2.952 8.635) 12.066 3.378 ( 3.853 -4.046 -1.351) 5.748 3.378 ( 3.853 4.046 -1.351) 5.748 3.614 ( -0.642 -4.318 -0.754) 4.430 3.614 ( -0.642 4.318 -0.754) 4.430 3.692 ( -3.064 -6.225 -0.729) 6.977 3.692 ( -3.064 6.225 -0.729) 6.977 3.815 ( -0.350 -5.058 -1.052) 5.178 3.815 ( -0.350 5.058 -1.052) 5.178 4.071 ( 0.105 -2.594 -1.840) 3.183 4.071 ( 0.105 2.594 -1.840) 3.183 4.314 ( 1.032 -7.412 2.983) 8.056 4.314 ( 1.032 7.412 2.983) 8.056 4.812 ( -2.131 -3.602 -0.301) 4.196 4.812 ( -2.131 3.602 -0.301) 4.196 4.984 ( -1.114 -6.680 -0.918) 6.835 4.984 ( -1.114 6.680 -0.918) 6.835 5.176 ( 2.988 -2.538 -0.909) 4.024 5.176 ( 2.988 2.538 -0.909) 4.024 5.346 ( 6.716 -2.831 1.688) 7.481 5.346 ( 6.716 2.831 1.688) 7.481 5.654 ( -1.143 -1.248 -0.106) 1.696 5.654 ( -1.143 1.248 -0.106) 1.696 5.924 ( 2.959 -7.790 -0.478) 8.347 5.924 ( 2.959 7.790 -0.478) 8.347 6.995 ( -0.832 -1.585 0.207) 1.802 6.995 ( -0.832 1.585 0.207) 1.802 7.048 ( -1.162 -1.188 0.643) 1.782 7.048 ( -1.162 1.188 0.643) 1.782 8.102 ( -1.389 -2.887 -1.069) 3.377 8.102 ( -1.389 2.887 -1.069) 3.377 8.263 ( -2.644 -2.530 0.004) 3.660 8.263 ( -2.644 2.530 0.004) 3.660 9.061 ( 3.625 -0.440 0.183) 3.657 9.061 ( 3.625 0.440 0.183) 3.657 9.258 ( 5.683 -1.719 -2.011) 6.269 9.258 ( 5.683 1.719 -2.011) 6.269 10.581 ( 0.075 -4.773 -0.204) 4.778 10.581 ( 0.075 4.773 -0.204) 4.778 10.844 ( 1.689 -9.719 -1.331) 9.954 10.844 ( 1.689 9.719 -1.331) 9.954 11.155 ( -1.028 -2.539 -0.006) 2.739 11.155 ( -1.028 2.539 -0.006) 2.739 11.329 ( -2.639 -4.311 0.914) 5.137 11.329 ( -2.639 4.311 0.914) 5.137 11.939 ( -1.173 -0.419 1.948) 2.312 11.939 ( -1.173 0.419 1.948) 2.312 12.054 ( -5.504 -0.872 -0.080) 5.574 12.054 ( -5.504 0.872 -0.080) 5.574 14.153 ( 1.332 -9.318 0.785) 9.446 14.153 ( 1.332 9.318 0.785) 9.446 14.389 ( 6.186 -8.227 0.438) 10.302 14.389 ( 6.186 8.227 0.438) 10.303 15.228 ( -22.463 -4.257 3.636) 23.150 15.228 ( -22.463 4.257 3.636) 23.150 15.621 ( -22.088 -4.269 -8.951) 24.212 15.621 ( -22.088 4.269 -8.951) 24.212 22.391 ( -4.313 -1.929 3.800) 6.063 22.391 ( -4.313 1.929 3.800) 6.063 22.700 ( -5.089 -0.179 2.699) 5.763 22.700 ( -5.089 0.179 2.699) 5.763 23.229 ( 2.828 -0.870 3.848) 4.854 23.229 ( 2.828 0.870 3.848) 4.854 23.569 ( -2.750 -3.215 2.533) 4.931 23.569 ( -2.750 3.215 2.533) 4.931 23.942 ( 3.003 -3.323 0.621) 4.522 23.942 ( 3.003 3.323 0.621) 4.522 24.130 ( 2.812 -3.996 -5.878) 7.644 24.130 ( 2.812 3.996 -5.878) 7.644 24.868 ( 7.611 -0.328 -0.525) 7.636 24.868 ( 7.611 0.328 -0.525) 7.636 25.087 ( 10.678 -0.538 0.805) 10.722 25.087 ( 10.678 0.538 0.805) 10.722 ======================= Grid point 152 (84/84) ======================= q-point: (-0.09 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 6.24e-05 6.24e-05 6.24e-05 6.24e-05 Number of triplets: 83 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -4.083 -11.178 -5.502) 13.110 1.082 ( -4.083 11.178 -5.502) 13.110 1.396 ( -2.620 -13.088 10.703) 17.109 1.396 ( -2.620 13.088 10.703) 17.109 1.567 ( -8.637 -3.608 -0.542) 9.376 1.567 ( -8.637 3.608 -0.542) 9.376 1.621 ( -2.839 -6.501 -4.837) 8.586 1.621 ( -2.839 6.501 -4.837) 8.586 1.996 ( -2.943 -3.446 8.883) 9.972 1.996 ( -2.943 3.446 8.883) 9.972 2.168 ( -6.649 -7.472 7.273) 12.367 2.168 ( -6.649 7.472 7.273) 12.367 2.440 ( -0.618 -3.735 -6.949) 7.913 2.440 ( -0.618 3.735 -6.949) 7.913 2.458 ( -1.096 -6.356 -11.338) 13.044 2.458 ( -1.096 6.356 -11.338) 13.044 2.582 ( -1.027 -1.659 -0.180) 1.959 2.582 ( -1.027 1.659 -0.180) 1.959 2.777 ( -0.156 -4.202 1.323) 4.408 2.777 ( -0.156 4.202 1.323) 4.408 2.931 ( -6.449 -1.986 5.162) 8.496 2.931 ( -6.449 1.986 5.162) 8.496 3.061 ( 2.505 -7.560 -3.597) 8.739 3.061 ( 2.505 7.560 -3.597) 8.739 3.441 ( 2.150 -3.363 -1.173) 4.160 3.441 ( 2.150 3.363 -1.173) 4.160 3.568 ( -3.269 -5.337 0.465) 6.276 3.568 ( -3.269 5.337 0.465) 6.276 3.628 ( -2.427 -6.015 -1.971) 6.779 3.628 ( -2.427 6.015 -1.971) 6.779 3.800 ( -1.222 -4.128 -2.528) 4.992 3.800 ( -1.222 4.128 -2.528) 4.992 4.112 ( 2.660 -2.175 0.774) 3.522 4.112 ( 2.660 2.175 0.774) 3.522 4.307 ( -1.418 -5.367 4.377) 7.070 4.307 ( -1.418 5.367 4.377) 7.070 4.803 ( 0.383 -2.623 -0.453) 2.689 4.803 ( 0.383 2.623 -0.453) 2.689 4.980 ( 1.131 -4.101 1.076) 4.388 4.980 ( 1.131 4.101 1.076) 4.388 5.233 ( 2.389 -2.680 -1.082) 3.750 5.233 ( 2.389 2.680 -1.082) 3.750 5.428 ( 1.181 -2.543 0.854) 2.931 5.428 ( 1.181 2.543 0.854) 2.931 5.670 ( 2.562 -3.177 1.058) 4.217 5.670 ( 2.562 3.177 1.058) 4.217 5.991 ( 2.937 -7.523 -1.017) 8.139 5.991 ( 2.937 7.523 -1.017) 8.139 6.983 ( -0.492 -0.728 0.826) 1.205 6.983 ( -0.492 0.728 0.826) 1.205 7.028 ( -0.668 -0.811 -0.137) 1.060 7.028 ( -0.668 0.811 -0.137) 1.060 8.084 ( -0.349 -2.362 -0.643) 2.473 8.084 ( -0.349 2.362 -0.643) 2.473 8.212 ( -2.171 -1.652 -0.409) 2.759 8.212 ( -2.171 1.652 -0.409) 2.759 9.134 ( 3.219 -2.775 -0.097) 4.251 9.134 ( 3.219 2.775 -0.097) 4.251 9.365 ( 4.359 -1.117 -2.713) 5.254 9.365 ( 4.359 1.117 -2.713) 5.254 10.587 ( 0.515 -2.618 -0.186) 2.674 10.587 ( 0.515 2.618 -0.186) 2.674 10.883 ( 2.209 -5.757 -1.552) 6.359 10.883 ( 2.209 5.757 -1.552) 6.359 11.128 ( -1.609 -1.241 0.225) 2.044 11.128 ( -1.609 1.241 0.225) 2.044 11.281 ( -1.828 -4.583 -0.150) 4.936 11.281 ( -1.828 4.583 -0.150) 4.936 11.917 ( -1.509 -1.555 3.291) 3.940 11.917 ( -1.509 1.555 3.291) 3.940 11.978 ( -1.512 -1.805 -0.814) 2.491 11.978 ( -1.512 1.805 -0.814) 2.491 14.185 ( 1.705 -9.466 0.977) 9.668 14.185 ( 1.705 9.466 0.977) 9.668 14.528 ( 6.585 -6.483 0.084) 9.241 14.528 ( 6.585 6.483 0.084) 9.241 14.830 ( -15.760 -4.224 2.700) 16.538 14.830 ( -15.760 4.224 2.700) 16.538 15.198 ( -17.222 -4.222 -9.982) 20.348 15.198 ( -17.222 4.222 -9.982) 20.348 22.333 ( -1.499 -1.812 3.038) 3.842 22.333 ( -1.499 1.812 3.038) 3.842 22.602 ( -4.202 -0.357 1.629) 4.520 22.602 ( -4.202 0.357 1.629) 4.520 23.276 ( 1.350 -1.288 4.683) 5.041 23.276 ( 1.350 1.288 4.683) 5.041 23.514 ( -2.004 -2.086 0.689) 2.973 23.514 ( -2.004 2.086 0.689) 2.973 23.966 ( -0.943 -11.424 12.728) 17.129 23.966 ( -0.943 11.424 12.728) 17.129 24.219 ( 5.437 -12.111 -13.140) 18.678 24.219 ( 5.437 12.111 -13.140) 18.678 25.000 ( 5.020 -0.174 -0.315) 5.033 25.000 ( 5.020 0.174 -0.315) 5.033 25.283 ( 7.890 -0.290 0.677) 7.925 25.283 ( 7.890 0.290 0.677) 7.925 =================== 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 3/21120 10.0 54.818 51.282 44.591 0.000 -15.030 0.000 3/21120 20.0 16.743 13.258 12.120 0.000 -3.297 0.000 3/21120 30.0 8.246 6.201 6.137 0.000 -1.494 0.000 3/21120 40.0 5.207 3.862 3.994 0.000 -0.924 0.000 3/21120 50.0 3.755 2.782 2.943 0.000 -0.665 0.000 3/21120 60.0 2.929 2.177 2.329 0.000 -0.518 0.000 3/21120 70.0 2.402 1.797 1.928 0.000 -0.425 0.000 3/21120 80.0 2.041 1.538 1.647 0.000 -0.360 0.000 3/21120 90.0 1.779 1.351 1.441 0.000 -0.313 0.000 3/21120 100.0 1.582 1.210 1.283 0.000 -0.277 0.000 3/21120 110.0 1.430 1.101 1.159 0.000 -0.249 0.000 3/21120 120.0 1.309 1.014 1.059 0.000 -0.226 0.000 3/21120 130.0 1.211 0.943 0.977 0.000 -0.207 0.000 3/21120 140.0 1.131 0.884 0.909 0.000 -0.192 0.000 3/21120 150.0 1.064 0.834 0.852 0.000 -0.179 0.000 3/21120 160.0 1.006 0.791 0.803 0.000 -0.168 0.000 3/21120 170.0 0.957 0.753 0.761 0.000 -0.158 0.000 3/21120 180.0 0.914 0.720 0.725 0.000 -0.150 0.000 3/21120 190.0 0.876 0.690 0.693 0.000 -0.143 0.000 3/21120 200.0 0.842 0.664 0.664 0.000 -0.136 0.000 3/21120 210.0 0.812 0.639 0.639 0.000 -0.131 0.000 3/21120 220.0 0.784 0.617 0.615 0.000 -0.126 0.000 3/21120 230.0 0.759 0.597 0.595 0.000 -0.121 0.000 3/21120 240.0 0.736 0.578 0.576 0.000 -0.117 0.000 3/21120 250.0 0.714 0.560 0.558 0.000 -0.113 0.000 3/21120 260.0 0.694 0.544 0.542 0.000 -0.110 0.000 3/21120 270.0 0.675 0.529 0.527 0.000 -0.106 0.000 3/21120 280.0 0.657 0.514 0.513 0.000 -0.103 0.000 3/21120 290.0 0.640 0.501 0.499 0.000 -0.101 0.000 3/21120 300.0 0.624 0.488 0.487 0.000 -0.098 0.000 3/21120 310.0 0.609 0.475 0.475 0.000 -0.095 0.000 3/21120 320.0 0.595 0.464 0.464 0.000 -0.093 0.000 3/21120 330.0 0.581 0.453 0.454 0.000 -0.091 0.000 3/21120 340.0 0.568 0.442 0.444 0.000 -0.089 0.000 3/21120 350.0 0.556 0.432 0.434 0.000 -0.087 0.000 3/21120 360.0 0.544 0.423 0.425 0.000 -0.085 0.000 3/21120 370.0 0.533 0.413 0.416 0.000 -0.083 0.000 3/21120 380.0 0.522 0.405 0.408 0.000 -0.082 0.000 3/21120 390.0 0.511 0.396 0.400 0.000 -0.080 0.000 3/21120 400.0 0.501 0.388 0.392 0.000 -0.078 0.000 3/21120 410.0 0.491 0.380 0.384 0.000 -0.077 0.000 3/21120 420.0 0.482 0.373 0.377 0.000 -0.075 0.000 3/21120 430.0 0.473 0.365 0.370 0.000 -0.074 0.000 3/21120 440.0 0.464 0.359 0.364 0.000 -0.073 0.000 3/21120 450.0 0.456 0.352 0.357 0.000 -0.071 0.000 3/21120 460.0 0.447 0.345 0.351 0.000 -0.070 0.000 3/21120 470.0 0.440 0.339 0.345 0.000 -0.069 0.000 3/21120 480.0 0.432 0.333 0.339 0.000 -0.068 0.000 3/21120 490.0 0.425 0.327 0.333 0.000 -0.067 0.000 3/21120 500.0 0.417 0.322 0.328 0.000 -0.066 0.000 3/21120 510.0 0.411 0.316 0.323 0.000 -0.064 0.000 3/21120 520.0 0.404 0.311 0.318 0.000 -0.063 0.000 3/21120 530.0 0.397 0.306 0.313 0.000 -0.062 0.000 3/21120 540.0 0.391 0.301 0.308 0.000 -0.061 0.000 3/21120 550.0 0.385 0.296 0.303 0.000 -0.061 0.000 3/21120 560.0 0.379 0.291 0.298 0.000 -0.060 0.000 3/21120 570.0 0.373 0.287 0.294 0.000 -0.059 0.000 3/21120 580.0 0.368 0.282 0.290 0.000 -0.058 0.000 3/21120 590.0 0.362 0.278 0.285 0.000 -0.057 0.000 3/21120 600.0 0.357 0.274 0.281 0.000 -0.056 0.000 3/21120 610.0 0.352 0.270 0.277 0.000 -0.055 0.000 3/21120 620.0 0.347 0.266 0.274 0.000 -0.055 0.000 3/21120 630.0 0.342 0.262 0.270 0.000 -0.054 0.000 3/21120 640.0 0.337 0.259 0.266 0.000 -0.053 0.000 3/21120 650.0 0.333 0.255 0.263 0.000 -0.052 0.000 3/21120 660.0 0.328 0.252 0.259 0.000 -0.052 0.000 3/21120 670.0 0.324 0.248 0.256 0.000 -0.051 0.000 3/21120 680.0 0.319 0.245 0.252 0.000 -0.050 0.000 3/21120 690.0 0.315 0.242 0.249 0.000 -0.050 0.000 3/21120 700.0 0.311 0.238 0.246 0.000 -0.049 0.000 3/21120 710.0 0.307 0.235 0.243 0.000 -0.049 0.000 3/21120 720.0 0.303 0.232 0.240 0.000 -0.048 0.000 3/21120 730.0 0.300 0.229 0.237 0.000 -0.047 0.000 3/21120 740.0 0.296 0.227 0.234 0.000 -0.047 0.000 3/21120 750.0 0.292 0.224 0.231 0.000 -0.046 0.000 3/21120 760.0 0.289 0.221 0.229 0.000 -0.046 0.000 3/21120 770.0 0.285 0.218 0.226 0.000 -0.045 0.000 3/21120 780.0 0.282 0.216 0.223 0.000 -0.045 0.000 3/21120 790.0 0.279 0.213 0.221 0.000 -0.044 0.000 3/21120 800.0 0.276 0.211 0.218 0.000 -0.044 0.000 3/21120 810.0 0.272 0.208 0.216 0.000 -0.043 0.000 3/21120 820.0 0.269 0.206 0.213 0.000 -0.043 0.000 3/21120 830.0 0.266 0.204 0.211 0.000 -0.042 0.000 3/21120 840.0 0.263 0.201 0.209 0.000 -0.042 0.000 3/21120 850.0 0.261 0.199 0.206 0.000 -0.041 0.000 3/21120 860.0 0.258 0.197 0.204 0.000 -0.041 0.000 3/21120 870.0 0.255 0.195 0.202 0.000 -0.040 0.000 3/21120 880.0 0.252 0.193 0.200 0.000 -0.040 0.000 3/21120 890.0 0.250 0.191 0.198 0.000 -0.040 0.000 3/21120 900.0 0.247 0.189 0.196 0.000 -0.039 0.000 3/21120 910.0 0.244 0.187 0.194 0.000 -0.039 0.000 3/21120 920.0 0.242 0.185 0.192 0.000 -0.038 0.000 3/21120 930.0 0.240 0.183 0.190 0.000 -0.038 0.000 3/21120 940.0 0.237 0.181 0.188 0.000 -0.038 0.000 3/21120 950.0 0.235 0.179 0.186 0.000 -0.037 0.000 3/21120 960.0 0.233 0.177 0.185 0.000 -0.037 0.000 3/21120 970.0 0.230 0.176 0.183 0.000 -0.037 0.000 3/21120 980.0 0.228 0.174 0.181 0.000 -0.036 0.000 3/21120 990.0 0.226 0.172 0.179 0.000 -0.036 0.000 3/21120 1000.0 0.224 0.171 0.178 0.000 -0.036 0.000 3/21120 Thermal conductivity related properties were written into "kappa-m1145.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:30:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|