----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:18:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.752508530002138 0.000000000000000 0.000000000000000 b 0.000000000000000 14.154411220000000 0.000000000000000 c -3.652139570540592 0.000000000000000 8.594594791009641 Atomic positions (fractional): *1 Li 0.54998709018130 0.11148277377018 0.70870447722962 6.941 2 Li 0.45001290981870 0.61148277377018 0.79129552277038 6.941 3 Li 0.45001290981870 0.88851722622982 0.29129552277039 6.941 4 Li 0.54998709018130 0.38851722622982 0.20870447722961 6.941 *5 Li 0.07708805262186 0.16559442224658 0.50543936732596 6.941 6 Li 0.92291194737814 0.66559442224658 0.99456063267404 6.941 7 Li 0.92291194737814 0.83440557775342 0.49456063267404 6.941 8 Li 0.07708805262186 0.33440557775342 0.00543936732596 6.941 *9 Li 0.91607793450953 0.21530455856040 0.70917044427915 6.941 10 Li 0.08392206549047 0.71530455856040 0.79082955572085 6.941 11 Li 0.08392206549047 0.78469544143960 0.29082955572084 6.941 12 Li 0.91607793450953 0.28469544143960 0.20917044427916 6.941 *13 B 0.76299344899220 0.01462275843073 0.51319322433274 10.811 14 B 0.23700655100780 0.51462275843073 0.98680677566726 10.811 15 B 0.23700655100780 0.98537724156927 0.48680677566726 10.811 16 B 0.76299344899220 0.48537724156927 0.01319322433274 10.811 *17 B 0.38631514037545 0.32314537612796 0.48214106960115 10.811 18 B 0.61368485962455 0.82314537612796 0.01785893039885 10.811 19 B 0.61368485962455 0.67685462387204 0.51785893039885 10.811 20 B 0.38631514037545 0.17685462387204 0.98214106960115 10.811 *21 B 0.88406150014164 0.33671257294669 0.47241899839832 10.811 22 B 0.11593849985836 0.83671257294669 0.02758100160168 10.811 23 B 0.11593849985836 0.66328742705331 0.52758100160168 10.811 24 B 0.88406150014164 0.16328742705331 0.97241899839832 10.811 *25 O 0.80972764601124 0.10260867614094 0.58175082471324 15.999 26 O 0.19027235398876 0.60260867614094 0.91824917528676 15.999 27 O 0.19027235398876 0.89739132385906 0.41824917528676 15.999 28 O 0.80972764601124 0.39739132385906 0.08175082471324 15.999 *29 O 0.65417888228548 0.49313910234960 0.85280708509893 15.999 30 O 0.34582111771452 0.99313910234960 0.64719291490107 15.999 31 O 0.34582111771452 0.50686089765040 0.14719291490107 15.999 32 O 0.65417888228548 0.00686089765040 0.35280708509893 15.999 *33 O 0.17636913548476 0.43420509106821 0.89529911339244 15.999 34 O 0.82363086451524 0.93420509106821 0.60470088660756 15.999 35 O 0.82363086451524 0.56579490893179 0.10470088660756 15.999 36 O 0.17636913548476 0.06579490893179 0.39529911339244 15.999 *37 O 0.28699201815859 0.33040121827688 0.32114589929202 15.999 38 O 0.71300798184141 0.83040121827688 0.17885410070798 15.999 39 O 0.71300798184141 0.66959878172312 0.67885410070798 15.999 40 O 0.28699201815859 0.16959878172312 0.82114589929202 15.999 *41 O 0.40851711014142 0.23747092859159 0.55606696796255 15.999 42 O 0.59148288985858 0.73747092859159 0.94393303203745 15.999 43 O 0.59148288985858 0.76252907140841 0.44393303203745 15.999 44 O 0.40851711014142 0.26252907140841 0.05606696796255 15.999 *45 O 0.45505844011832 0.40574410244782 0.56871491871608 15.999 46 O 0.54494155988168 0.90574410244782 0.93128508128392 15.999 47 O 0.54494155988168 0.59425589755218 0.43128508128392 15.999 48 O 0.45505844011832 0.09425589755218 0.06871491871608 15.999 *49 O 0.82120180274684 0.25733956805732 0.37969004398831 15.999 50 O 0.17879819725316 0.75733956805732 0.12030995601169 15.999 51 O 0.17879819725316 0.74266043194268 0.62030995601169 15.999 52 O 0.82120180274684 0.24266043194268 0.87969004398831 15.999 *53 O 0.83267844801525 0.42586117433982 0.40648808830979 15.999 54 O 0.16732155198475 0.92586117433982 0.09351191169021 15.999 55 O 0.16732155198475 0.57413882566018 0.59351191169021 15.999 56 O 0.83267844801525 0.07413882566018 0.90648808830979 15.999 *57 O 0.99436324908221 0.33171737745659 0.63294335273274 15.999 58 O 0.00563675091779 0.83171737745659 0.86705664726726 15.999 59 O 0.00563675091779 0.66828262254341 0.36705664726726 15.999 60 O 0.99436324908221 0.16828262254341 0.13294335273274 15.999 *61 Pr 0.84719505610690 0.49767646199331 0.65961613855007 140.908 62 Pr 0.15280494389310 0.99767646199331 0.84038386144993 140.908 63 Pr 0.15280494389310 0.50232353800669 0.34038386144993 140.908 64 Pr 0.84719505610690 0.00232353800669 0.15961613855007 140.908 *65 Pr 0.44217608387942 0.33589248140782 0.80808694496742 140.908 66 Pr 0.55782391612058 0.83589248140782 0.69191305503258 140.908 67 Pr 0.55782391612058 0.66410751859218 0.19191305503258 140.908 68 Pr 0.44217608387942 0.16410751859218 0.30808694496742 140.908 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.752508530002138 0.000000000000000 0.000000000000000 b 0.000000000000000 14.154411220000000 0.000000000000000 c -3.652139570540592 0.000000000000000 8.594594791009641 Atomic positions (fractional): *1 Li 0.54998709018130 0.11148277377018 0.70870447722962 6.941 > 1 2 Li 0.45001290981870 0.61148277377018 0.79129552277038 6.941 > 2 3 Li 0.45001290981870 0.88851722622982 0.29129552277039 6.941 > 3 4 Li 0.54998709018130 0.38851722622982 0.20870447722961 6.941 > 4 *5 Li 0.07708805262186 0.16559442224658 0.50543936732596 6.941 > 5 6 Li 0.92291194737814 0.66559442224658 0.99456063267404 6.941 > 6 7 Li 0.92291194737814 0.83440557775342 0.49456063267404 6.941 > 7 8 Li 0.07708805262186 0.33440557775342 0.00543936732596 6.941 > 8 *9 Li 0.91607793450953 0.21530455856040 0.70917044427915 6.941 > 9 10 Li 0.08392206549047 0.71530455856040 0.79082955572085 6.941 > 10 11 Li 0.08392206549047 0.78469544143960 0.29082955572084 6.941 > 11 12 Li 0.91607793450953 0.28469544143960 0.20917044427916 6.941 > 12 *13 B 0.76299344899220 0.01462275843073 0.51319322433274 10.811 > 13 14 B 0.23700655100780 0.51462275843073 0.98680677566726 10.811 > 14 15 B 0.23700655100780 0.98537724156927 0.48680677566726 10.811 > 15 16 B 0.76299344899220 0.48537724156927 0.01319322433274 10.811 > 16 *17 B 0.38631514037545 0.32314537612796 0.48214106960115 10.811 > 17 18 B 0.61368485962455 0.82314537612796 0.01785893039885 10.811 > 18 19 B 0.61368485962455 0.67685462387204 0.51785893039885 10.811 > 19 20 B 0.38631514037545 0.17685462387204 0.98214106960115 10.811 > 20 *21 B 0.88406150014164 0.33671257294669 0.47241899839832 10.811 > 21 22 B 0.11593849985836 0.83671257294669 0.02758100160168 10.811 > 22 23 B 0.11593849985836 0.66328742705331 0.52758100160168 10.811 > 23 24 B 0.88406150014164 0.16328742705331 0.97241899839832 10.811 > 24 *25 O 0.80972764601124 0.10260867614094 0.58175082471324 15.999 > 25 26 O 0.19027235398876 0.60260867614094 0.91824917528676 15.999 > 26 27 O 0.19027235398876 0.89739132385906 0.41824917528676 15.999 > 27 28 O 0.80972764601124 0.39739132385906 0.08175082471324 15.999 > 28 *29 O 0.65417888228548 0.49313910234960 0.85280708509893 15.999 > 29 30 O 0.34582111771452 0.99313910234960 0.64719291490107 15.999 > 30 31 O 0.34582111771452 0.50686089765040 0.14719291490107 15.999 > 31 32 O 0.65417888228548 0.00686089765040 0.35280708509893 15.999 > 32 *33 O 0.17636913548476 0.43420509106821 0.89529911339244 15.999 > 33 34 O 0.82363086451524 0.93420509106821 0.60470088660756 15.999 > 34 35 O 0.82363086451524 0.56579490893179 0.10470088660756 15.999 > 35 36 O 0.17636913548476 0.06579490893179 0.39529911339244 15.999 > 36 *37 O 0.28699201815859 0.33040121827688 0.32114589929202 15.999 > 37 38 O 0.71300798184141 0.83040121827688 0.17885410070798 15.999 > 38 39 O 0.71300798184141 0.66959878172312 0.67885410070798 15.999 > 39 40 O 0.28699201815859 0.16959878172312 0.82114589929202 15.999 > 40 *41 O 0.40851711014142 0.23747092859159 0.55606696796255 15.999 > 41 42 O 0.59148288985858 0.73747092859159 0.94393303203745 15.999 > 42 43 O 0.59148288985858 0.76252907140841 0.44393303203745 15.999 > 43 44 O 0.40851711014142 0.26252907140841 0.05606696796255 15.999 > 44 *45 O 0.45505844011832 0.40574410244782 0.56871491871608 15.999 > 45 46 O 0.54494155988168 0.90574410244782 0.93128508128392 15.999 > 46 47 O 0.54494155988168 0.59425589755218 0.43128508128392 15.999 > 47 48 O 0.45505844011832 0.09425589755218 0.06871491871608 15.999 > 48 *49 O 0.82120180274684 0.25733956805732 0.37969004398831 15.999 > 49 50 O 0.17879819725316 0.75733956805732 0.12030995601169 15.999 > 50 51 O 0.17879819725316 0.74266043194268 0.62030995601169 15.999 > 51 52 O 0.82120180274684 0.24266043194268 0.87969004398831 15.999 > 52 *53 O 0.83267844801525 0.42586117433982 0.40648808830979 15.999 > 53 54 O 0.16732155198475 0.92586117433982 0.09351191169021 15.999 > 54 55 O 0.16732155198475 0.57413882566018 0.59351191169021 15.999 > 55 56 O 0.83267844801525 0.07413882566018 0.90648808830979 15.999 > 56 *57 O 0.99436324908221 0.33171737745659 0.63294335273274 15.999 > 57 58 O 0.00563675091779 0.83171737745659 0.86705664726726 15.999 > 58 59 O 0.00563675091779 0.66828262254341 0.36705664726726 15.999 > 59 60 O 0.99436324908221 0.16828262254341 0.13294335273274 15.999 > 60 *61 Pr 0.84719505610690 0.49767646199331 0.65961613855007 140.908 > 61 62 Pr 0.15280494389310 0.99767646199331 0.84038386144993 140.908 > 62 63 Pr 0.15280494389310 0.50232353800669 0.34038386144993 140.908 > 63 64 Pr 0.84719505610690 0.00232353800669 0.15961613855007 140.908 > 64 *65 Pr 0.44217608387942 0.33589248140782 0.80808694496742 140.908 > 65 66 Pr 0.55782391612058 0.83589248140782 0.69191305503258 140.908 > 66 67 Pr 0.55782391612058 0.66410751859218 0.19191305503258 140.908 > 67 68 Pr 0.44217608387942 0.16410751859218 0.30808694496742 140.908 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.505017060004276 0.000000000000000 0.000000000000000 b 0.000000000000000 14.154411220000000 0.000000000000000 c -3.652139570540592 0.000000000000000 8.594594791009641 Atomic positions (fractional): *1 Li 0.27499354509065 0.11148277377018 0.70870447722962 6.941 > 1 2 Li 0.77499354509065 0.11148277377018 0.70870447722962 6.941 > 1 3 Li 0.22500645490935 0.61148277377018 0.79129552277038 6.941 > 2 4 Li 0.72500645490935 0.61148277377018 0.79129552277038 6.941 > 2 5 Li 0.22500645490935 0.88851722622982 0.29129552277039 6.941 > 3 6 Li 0.72500645490935 0.88851722622982 0.29129552277039 6.941 > 3 7 Li 0.27499354509065 0.38851722622982 0.20870447722961 6.941 > 4 8 Li 0.77499354509065 0.38851722622982 0.20870447722961 6.941 > 4 *9 Li 0.03854402631093 0.16559442224658 0.50543936732596 6.941 > 5 10 Li 0.53854402631093 0.16559442224658 0.50543936732596 6.941 > 5 11 Li 0.46145597368907 0.66559442224658 0.99456063267404 6.941 > 6 12 Li 0.96145597368907 0.66559442224658 0.99456063267404 6.941 > 6 13 Li 0.46145597368907 0.83440557775342 0.49456063267404 6.941 > 7 14 Li 0.96145597368907 0.83440557775342 0.49456063267404 6.941 > 7 15 Li 0.03854402631093 0.33440557775342 0.00543936732596 6.941 > 8 16 Li 0.53854402631093 0.33440557775342 0.00543936732596 6.941 > 8 *17 Li 0.45803896725476 0.21530455856040 0.70917044427915 6.941 > 9 18 Li 0.95803896725476 0.21530455856040 0.70917044427915 6.941 > 9 19 Li 0.04196103274524 0.71530455856040 0.79082955572085 6.941 > 10 20 Li 0.54196103274524 0.71530455856040 0.79082955572085 6.941 > 10 21 Li 0.04196103274524 0.78469544143960 0.29082955572084 6.941 > 11 22 Li 0.54196103274524 0.78469544143960 0.29082955572084 6.941 > 11 23 Li 0.45803896725476 0.28469544143960 0.20917044427916 6.941 > 12 24 Li 0.95803896725476 0.28469544143960 0.20917044427916 6.941 > 12 *25 B 0.38149672449610 0.01462275843073 0.51319322433274 10.811 > 13 26 B 0.88149672449610 0.01462275843073 0.51319322433274 10.811 > 13 27 B 0.11850327550390 0.51462275843073 0.98680677566726 10.811 > 14 28 B 0.61850327550390 0.51462275843073 0.98680677566726 10.811 > 14 29 B 0.11850327550390 0.98537724156927 0.48680677566726 10.811 > 15 30 B 0.61850327550390 0.98537724156927 0.48680677566726 10.811 > 15 31 B 0.38149672449610 0.48537724156927 0.01319322433274 10.811 > 16 32 B 0.88149672449610 0.48537724156927 0.01319322433274 10.811 > 16 *33 B 0.19315757018773 0.32314537612796 0.48214106960115 10.811 > 17 34 B 0.69315757018773 0.32314537612796 0.48214106960115 10.811 > 17 35 B 0.30684242981227 0.82314537612796 0.01785893039885 10.811 > 18 36 B 0.80684242981227 0.82314537612796 0.01785893039885 10.811 > 18 37 B 0.30684242981227 0.67685462387204 0.51785893039885 10.811 > 19 38 B 0.80684242981227 0.67685462387204 0.51785893039885 10.811 > 19 39 B 0.19315757018773 0.17685462387204 0.98214106960115 10.811 > 20 40 B 0.69315757018773 0.17685462387204 0.98214106960115 10.811 > 20 *41 B 0.44203075007082 0.33671257294669 0.47241899839832 10.811 > 21 42 B 0.94203075007082 0.33671257294669 0.47241899839832 10.811 > 21 43 B 0.05796924992918 0.83671257294669 0.02758100160168 10.811 > 22 44 B 0.55796924992918 0.83671257294669 0.02758100160168 10.811 > 22 45 B 0.05796924992918 0.66328742705331 0.52758100160168 10.811 > 23 46 B 0.55796924992918 0.66328742705331 0.52758100160168 10.811 > 23 47 B 0.44203075007082 0.16328742705331 0.97241899839832 10.811 > 24 48 B 0.94203075007082 0.16328742705331 0.97241899839832 10.811 > 24 *49 O 0.40486382300562 0.10260867614094 0.58175082471324 15.999 > 25 50 O 0.90486382300562 0.10260867614094 0.58175082471324 15.999 > 25 51 O 0.09513617699438 0.60260867614094 0.91824917528676 15.999 > 26 52 O 0.59513617699438 0.60260867614094 0.91824917528676 15.999 > 26 53 O 0.09513617699438 0.89739132385906 0.41824917528676 15.999 > 27 54 O 0.59513617699438 0.89739132385906 0.41824917528676 15.999 > 27 55 O 0.40486382300562 0.39739132385906 0.08175082471324 15.999 > 28 56 O 0.90486382300562 0.39739132385906 0.08175082471324 15.999 > 28 *57 O 0.32708944114274 0.49313910234960 0.85280708509893 15.999 > 29 58 O 0.82708944114274 0.49313910234960 0.85280708509893 15.999 > 29 59 O 0.17291055885726 0.99313910234960 0.64719291490107 15.999 > 30 60 O 0.67291055885726 0.99313910234960 0.64719291490107 15.999 > 30 61 O 0.17291055885726 0.50686089765040 0.14719291490107 15.999 > 31 62 O 0.67291055885726 0.50686089765040 0.14719291490107 15.999 > 31 63 O 0.32708944114274 0.00686089765040 0.35280708509893 15.999 > 32 64 O 0.82708944114274 0.00686089765040 0.35280708509893 15.999 > 32 *65 O 0.08818456774238 0.43420509106821 0.89529911339244 15.999 > 33 66 O 0.58818456774238 0.43420509106821 0.89529911339244 15.999 > 33 67 O 0.41181543225762 0.93420509106821 0.60470088660756 15.999 > 34 68 O 0.91181543225762 0.93420509106821 0.60470088660756 15.999 > 34 69 O 0.41181543225762 0.56579490893179 0.10470088660756 15.999 > 35 70 O 0.91181543225762 0.56579490893179 0.10470088660756 15.999 > 35 71 O 0.08818456774238 0.06579490893179 0.39529911339244 15.999 > 36 72 O 0.58818456774238 0.06579490893179 0.39529911339244 15.999 > 36 *73 O 0.14349600907929 0.33040121827688 0.32114589929202 15.999 > 37 74 O 0.64349600907929 0.33040121827688 0.32114589929202 15.999 > 37 75 O 0.35650399092071 0.83040121827688 0.17885410070798 15.999 > 38 76 O 0.85650399092071 0.83040121827688 0.17885410070798 15.999 > 38 77 O 0.35650399092071 0.66959878172312 0.67885410070798 15.999 > 39 78 O 0.85650399092071 0.66959878172312 0.67885410070798 15.999 > 39 79 O 0.14349600907929 0.16959878172312 0.82114589929202 15.999 > 40 80 O 0.64349600907929 0.16959878172312 0.82114589929202 15.999 > 40 *81 O 0.20425855507071 0.23747092859159 0.55606696796255 15.999 > 41 82 O 0.70425855507071 0.23747092859159 0.55606696796255 15.999 > 41 83 O 0.29574144492929 0.73747092859159 0.94393303203745 15.999 > 42 84 O 0.79574144492929 0.73747092859159 0.94393303203745 15.999 > 42 85 O 0.29574144492929 0.76252907140841 0.44393303203745 15.999 > 43 86 O 0.79574144492929 0.76252907140841 0.44393303203745 15.999 > 43 87 O 0.20425855507071 0.26252907140841 0.05606696796255 15.999 > 44 88 O 0.70425855507071 0.26252907140841 0.05606696796255 15.999 > 44 *89 O 0.22752922005916 0.40574410244782 0.56871491871608 15.999 > 45 90 O 0.72752922005916 0.40574410244782 0.56871491871608 15.999 > 45 91 O 0.27247077994084 0.90574410244782 0.93128508128392 15.999 > 46 92 O 0.77247077994084 0.90574410244782 0.93128508128392 15.999 > 46 93 O 0.27247077994084 0.59425589755218 0.43128508128392 15.999 > 47 94 O 0.77247077994084 0.59425589755218 0.43128508128392 15.999 > 47 95 O 0.22752922005916 0.09425589755218 0.06871491871608 15.999 > 48 96 O 0.72752922005916 0.09425589755218 0.06871491871608 15.999 > 48 *97 O 0.41060090137342 0.25733956805732 0.37969004398831 15.999 > 49 98 O 0.91060090137342 0.25733956805732 0.37969004398831 15.999 > 49 99 O 0.08939909862658 0.75733956805732 0.12030995601169 15.999 > 50 100 O 0.58939909862658 0.75733956805732 0.12030995601169 15.999 > 50 101 O 0.08939909862658 0.74266043194268 0.62030995601169 15.999 > 51 102 O 0.58939909862658 0.74266043194268 0.62030995601169 15.999 > 51 103 O 0.41060090137342 0.24266043194268 0.87969004398831 15.999 > 52 104 O 0.91060090137342 0.24266043194268 0.87969004398831 15.999 > 52 *105 O 0.41633922400763 0.42586117433982 0.40648808830979 15.999 > 53 106 O 0.91633922400763 0.42586117433982 0.40648808830979 15.999 > 53 107 O 0.08366077599237 0.92586117433982 0.09351191169021 15.999 > 54 108 O 0.58366077599237 0.92586117433982 0.09351191169021 15.999 > 54 109 O 0.08366077599237 0.57413882566018 0.59351191169021 15.999 > 55 110 O 0.58366077599237 0.57413882566018 0.59351191169021 15.999 > 55 111 O 0.41633922400763 0.07413882566018 0.90648808830979 15.999 > 56 112 O 0.91633922400763 0.07413882566018 0.90648808830979 15.999 > 56 *113 O 0.49718162454110 0.33171737745659 0.63294335273274 15.999 > 57 114 O 0.99718162454110 0.33171737745659 0.63294335273274 15.999 > 57 115 O 0.00281837545890 0.83171737745659 0.86705664726726 15.999 > 58 116 O 0.50281837545890 0.83171737745659 0.86705664726726 15.999 > 58 117 O 0.00281837545890 0.66828262254341 0.36705664726726 15.999 > 59 118 O 0.50281837545890 0.66828262254341 0.36705664726726 15.999 > 59 119 O 0.49718162454110 0.16828262254341 0.13294335273274 15.999 > 60 120 O 0.99718162454110 0.16828262254341 0.13294335273274 15.999 > 60 *121 Pr 0.42359752805345 0.49767646199331 0.65961613855007 140.908 > 61 122 Pr 0.92359752805345 0.49767646199331 0.65961613855007 140.908 > 61 123 Pr 0.07640247194655 0.99767646199331 0.84038386144993 140.908 > 62 124 Pr 0.57640247194655 0.99767646199331 0.84038386144993 140.908 > 62 125 Pr 0.07640247194655 0.50232353800669 0.34038386144993 140.908 > 63 126 Pr 0.57640247194655 0.50232353800669 0.34038386144993 140.908 > 63 127 Pr 0.42359752805345 0.00232353800669 0.15961613855007 140.908 > 64 128 Pr 0.92359752805345 0.00232353800669 0.15961613855007 140.908 > 64 *129 Pr 0.22108804193971 0.33589248140782 0.80808694496742 140.908 > 65 130 Pr 0.72108804193971 0.33589248140782 0.80808694496742 140.908 > 65 131 Pr 0.27891195806029 0.83589248140782 0.69191305503258 140.908 > 66 132 Pr 0.77891195806029 0.83589248140782 0.69191305503258 140.908 > 66 133 Pr 0.27891195806029 0.66410751859218 0.19191305503258 140.908 > 67 134 Pr 0.77891195806029 0.66410751859218 0.19191305503258 140.908 > 67 135 Pr 0.22108804193971 0.16410751859218 0.30808694496742 140.908 > 68 136 Pr 0.72108804193971 0.16410751859218 0.30808694496742 140.908 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2764235 0.0000000 0.0001479 0.0000000 3.6123493 0.0000000 0.0001512 0.0000000 3.6525382 -------------------------- Born effective charges -------------------------- 1 Li 1.0770280 -0.0004670 0.0107780 -0.0345972 1.1290822 0.0294616 -0.0363487 0.0632657 1.2105906 2 Li 1.0770280 0.0004670 0.0107780 0.0345972 1.1290822 -0.0294616 -0.0363487 -0.0632657 1.2105906 3 Li 1.0770280 -0.0004670 0.0107780 -0.0345972 1.1290822 0.0294616 -0.0363487 0.0632657 1.2105906 4 Li 1.0770280 0.0004670 0.0107780 0.0345972 1.1290822 -0.0294616 -0.0363487 -0.0632657 1.2105906 5 Li 1.1226408 -0.0152735 -0.0065165 0.0582453 1.2370747 0.0048516 -0.0445816 0.0429514 0.9474558 6 Li 1.1226408 0.0152735 -0.0065165 -0.0582453 1.2370747 -0.0048516 -0.0445816 -0.0429514 0.9474558 7 Li 1.1226408 -0.0152735 -0.0065165 0.0582453 1.2370747 0.0048516 -0.0445816 0.0429514 0.9474558 8 Li 1.1226408 0.0152735 -0.0065165 -0.0582453 1.2370747 -0.0048516 -0.0445816 -0.0429514 0.9474558 9 Li 1.0274723 0.0263461 -0.0056186 0.0243666 1.0996287 -0.0586026 0.0701865 -0.0353291 1.1310028 10 Li 1.0274723 -0.0263461 -0.0056186 -0.0243666 1.0996287 0.0586026 0.0701865 0.0353291 1.1310028 11 Li 1.0274723 0.0263461 -0.0056186 0.0243666 1.0996287 -0.0586026 0.0701865 -0.0353291 1.1310028 12 Li 1.0274723 -0.0263461 -0.0056186 -0.0243666 1.0996287 0.0586026 0.0701865 0.0353291 1.1310028 13 B 0.7221731 0.0956583 -0.2355504 -0.0092234 2.4263136 -0.3146118 0.0625467 -0.2428553 2.8357912 14 B 0.7221731 -0.0956583 -0.2355504 0.0092234 2.4263136 0.3146118 0.0625467 0.2428553 2.8357912 15 B 0.7221731 0.0956583 -0.2355504 -0.0092234 2.4263136 -0.3146118 0.0625467 -0.2428553 2.8357912 16 B 0.7221731 -0.0956583 -0.2355504 0.0092234 2.4263136 0.3146118 0.0625467 0.2428553 2.8357912 17 B 0.7333551 0.2562956 0.0506686 0.1860470 2.4199813 0.0538938 -0.0289047 0.0691489 2.3525814 18 B 0.7333551 -0.2562956 0.0506686 -0.1860470 2.4199813 -0.0538938 -0.0289047 -0.0691489 2.3525814 19 B 0.7333551 0.2562956 0.0506686 0.1860470 2.4199813 0.0538938 -0.0289047 0.0691489 2.3525814 20 B 0.7333551 -0.2562956 0.0506686 -0.1860470 2.4199813 -0.0538938 -0.0289047 -0.0691489 2.3525814 21 B 0.7311759 0.4278381 0.3563950 -0.0352851 2.8006839 0.3090717 0.0601941 0.2337120 2.5830845 22 B 0.7311759 -0.4278381 0.3563950 0.0352851 2.8006839 -0.3090717 0.0601941 -0.2337120 2.5830845 23 B 0.7311759 0.4278381 0.3563950 -0.0352851 2.8006839 0.3090717 0.0601941 0.2337120 2.5830845 24 B 0.7311759 -0.4278381 0.3563950 0.0352851 2.8006839 -0.3090717 0.0601941 -0.2337120 2.5830845 25 O -1.2307319 0.0612044 -0.1193100 0.1259541 -2.1840320 -0.0861790 -0.2788999 -0.1577913 -2.0237167 26 O -1.2307319 -0.0612044 -0.1193100 -0.1259541 -2.1840320 0.0861790 -0.2788999 0.1577913 -2.0237167 27 O -1.2307319 0.0612044 -0.1193100 0.1259541 -2.1840320 -0.0861790 -0.2788999 -0.1577913 -2.0237167 28 O -1.2307319 -0.0612044 -0.1193100 -0.1259541 -2.1840320 0.0861790 -0.2788999 0.1577913 -2.0237167 29 O -1.5719959 -0.2275551 0.3160242 -0.2687491 -1.6634554 -0.0798872 0.3452941 -0.0137914 -2.6778782 30 O -1.5719959 0.2275551 0.3160242 0.2687491 -1.6634554 0.0798872 0.3452941 0.0137914 -2.6778782 31 O -1.5719959 -0.2275551 0.3160242 -0.2687491 -1.6634554 -0.0798872 0.3452941 -0.0137914 -2.6778782 32 O -1.5719959 0.2275551 0.3160242 0.2687491 -1.6634554 0.0798872 0.3452941 0.0137914 -2.6778782 33 O -1.5787425 0.3947605 -0.0105680 0.5020005 -2.2391693 -0.4965052 -0.0599471 -0.4658478 -2.1345919 34 O -1.5787425 -0.3947605 -0.0105680 -0.5020005 -2.2391693 0.4965052 -0.0599471 0.4658478 -2.1345919 35 O -1.5787425 0.3947605 -0.0105680 0.5020005 -2.2391693 -0.4965052 -0.0599471 -0.4658478 -2.1345919 36 O -1.5787425 -0.3947605 -0.0105680 -0.5020005 -2.2391693 0.4965052 -0.0599471 0.4658478 -2.1345919 37 O -1.3423835 0.3374070 -0.0002707 0.3735965 -2.1729007 -0.0487605 0.0025690 0.0115918 -2.2500319 38 O -1.3423835 -0.3374070 -0.0002707 -0.3735965 -2.1729007 0.0487605 0.0025690 -0.0115918 -2.2500319 39 O -1.3423835 0.3374070 -0.0002707 0.3735965 -2.1729007 -0.0487605 0.0025690 0.0115918 -2.2500319 40 O -1.3423835 -0.3374070 -0.0002707 -0.3735965 -2.1729007 0.0487605 0.0025690 -0.0115918 -2.2500319 41 O -1.2503962 0.0333065 0.2564000 0.0772008 -2.3093724 0.0649459 0.3525889 0.0380096 -2.0381281 42 O -1.2503962 -0.0333065 0.2564000 -0.0772008 -2.3093724 -0.0649459 0.3525889 -0.0380096 -2.0381281 43 O -1.2503962 0.0333065 0.2564000 0.0772008 -2.3093724 0.0649459 0.3525889 0.0380096 -2.0381281 44 O -1.2503962 -0.0333065 0.2564000 -0.0772008 -2.3093724 -0.0649459 0.3525889 -0.0380096 -2.0381281 45 O -1.6164966 -0.3194695 -0.1584012 -0.4186965 -2.2372245 -0.1718097 -0.1741182 -0.1042162 -2.2105303 46 O -1.6164966 0.3194695 -0.1584012 0.4186965 -2.2372245 0.1718097 -0.1741182 0.1042162 -2.2105303 47 O -1.6164966 -0.3194695 -0.1584012 -0.4186965 -2.2372245 -0.1718097 -0.1741182 -0.1042162 -2.2105303 48 O -1.6164966 0.3194695 -0.1584012 0.4186965 -2.2372245 0.1718097 -0.1741182 0.1042162 -2.2105303 49 O -1.6222876 -0.4858624 -0.2961454 -0.4367001 -2.3779845 -0.7047150 -0.2468664 -0.6448035 -1.7260399 50 O -1.6222876 0.4858624 -0.2961454 0.4367001 -2.3779845 0.7047150 -0.2468664 0.6448035 -1.7260399 51 O -1.6222876 -0.4858624 -0.2961454 -0.4367001 -2.3779845 -0.7047150 -0.2468664 -0.6448035 -1.7260399 52 O -1.6222876 0.4858624 -0.2961454 0.4367001 -2.3779845 0.7047150 -0.2468664 0.6448035 -1.7260399 53 O -1.6118941 -0.2976468 0.2605541 -0.2327810 -2.2625668 0.2160628 0.4045309 0.2521772 -1.7953716 54 O -1.6118941 0.2976468 0.2605541 0.2327810 -2.2625668 -0.2160628 0.4045309 -0.2521772 -1.7953716 55 O -1.6118941 -0.2976468 0.2605541 -0.2327810 -2.2625668 0.2160628 0.4045309 0.2521772 -1.7953716 56 O -1.6118941 0.2976468 0.2605541 0.2327810 -2.2625668 -0.2160628 0.4045309 -0.2521772 -1.7953716 57 O -1.5556593 0.1104015 -0.3894826 0.2486528 -1.7485029 -0.0016613 -0.4155969 -0.0247113 -2.4449501 58 O -1.5556593 -0.1104015 -0.3894826 -0.2486528 -1.7485029 0.0016613 -0.4155969 0.0247113 -2.4449501 59 O -1.5556593 0.1104015 -0.3894826 0.2486528 -1.7485029 -0.0016613 -0.4155969 -0.0247113 -2.4449501 60 O -1.5556593 -0.1104015 -0.3894826 -0.2486528 -1.7485029 0.0016613 -0.4155969 0.0247113 -2.4449501 61 Pr 4.0223305 -0.2114357 0.0335768 0.1243666 3.9018803 -0.0786773 -0.1343812 -0.1910530 4.1010881 62 Pr 4.0223305 0.2114357 0.0335768 -0.1243666 3.9018803 0.0786773 -0.1343812 0.1910530 4.1010881 63 Pr 4.0223305 -0.2114357 0.0335768 0.1243666 3.9018803 -0.0786773 -0.1343812 -0.1910530 4.1010881 64 Pr 4.0223305 0.2114357 0.0335768 -0.1243666 3.9018803 0.0786773 -0.1343812 0.1910530 4.1010881 65 Pr 3.9444119 0.1393147 -0.0625333 -0.1936161 4.1805640 -0.1866167 0.1217343 -0.1721852 4.1396444 66 Pr 3.9444119 -0.1393147 -0.0625333 0.1936161 4.1805640 0.1866167 0.1217343 0.1721852 4.1396444 67 Pr 3.9444119 0.1393147 -0.0625333 -0.1936161 4.1805640 -0.1866167 0.1217343 -0.1721852 4.1396444 68 Pr 3.9444119 -0.1393147 -0.0625333 0.1936161 4.1805640 0.1866167 0.1217343 0.1721852 4.1396444 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 112 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 112 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 112), data: (2312, 146) @ (146, 112) |-- (312, 278), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 112), data: (2312, 146) @ (146, 112) |-- (312, 278), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.015 Solver_block: 100 / 2080 - Time: 7.869 Solver_block: 200 / 2080 - Time: 6.925 Solver_block: 300 / 2080 - Time: 5.097 Solver_block: 400 / 2080 - Time: 5.154 Solver_block: 500 / 2080 - Time: 4.260 Solver_block: 600 / 2080 - Time: 3.858 Solver_block: 700 / 2080 - Time: 3.522 Solver_block: 800 / 2080 - Time: 3.096 Solver_block: 900 / 2080 - Time: 3.559 Solver_block: 1000 / 2080 - Time: 3.835 Solver_block: 1100 / 2080 - Time: 4.131 Solver_block: 1200 / 2080 - Time: 3.836 Solver_block: 1300 / 2080 - Time: 5.997 Solver_block: 1400 / 2080 - Time: 6.075 Solver_block: 1500 / 2080 - Time: 6.529 Solver_block: 1600 / 2080 - Time: 6.095 Solver_block: 1700 / 2080 - Time: 6.500 Solver_block: 1800 / 2080 - Time: 6.162 Solver_block: 1900 / 2080 - Time: 4.966 Solver_block: 2000 / 2080 - Time: 6.586 Solver_block: 2080 / 2080 - Time: 5.142 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 113.883 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 112 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 2312 / 2312 (1) 278 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 112 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 112), data: (2312, 146) @ (146, 112) |-- (312, 278), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 112), data: (2312, 146) @ (146, 112) |-- (312, 278), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:23:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:23:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.752508530002138 0.000000000000000 0.000000000000000 b 0.000000000000000 14.154411220000000 0.000000000000000 c -3.652139570540592 0.000000000000000 8.594594791009641 Atomic positions (fractional): 1 Li 0.54998709018130 0.11148277377018 0.70870447722962 6.941 2 Li 0.45001290981870 0.61148277377018 0.79129552277038 6.941 3 Li 0.45001290981870 0.88851722622982 0.29129552277039 6.941 4 Li 0.54998709018130 0.38851722622982 0.20870447722961 6.941 5 Li 0.07708805262186 0.16559442224658 0.50543936732596 6.941 6 Li 0.92291194737814 0.66559442224658 0.99456063267404 6.941 7 Li 0.92291194737814 0.83440557775342 0.49456063267404 6.941 8 Li 0.07708805262186 0.33440557775342 0.00543936732596 6.941 9 Li 0.91607793450953 0.21530455856040 0.70917044427915 6.941 10 Li 0.08392206549047 0.71530455856040 0.79082955572085 6.941 11 Li 0.08392206549047 0.78469544143960 0.29082955572084 6.941 12 Li 0.91607793450953 0.28469544143960 0.20917044427916 6.941 13 B 0.76299344899220 0.01462275843073 0.51319322433274 10.811 14 B 0.23700655100780 0.51462275843073 0.98680677566726 10.811 15 B 0.23700655100780 0.98537724156927 0.48680677566726 10.811 16 B 0.76299344899220 0.48537724156927 0.01319322433274 10.811 17 B 0.38631514037545 0.32314537612796 0.48214106960115 10.811 18 B 0.61368485962455 0.82314537612796 0.01785893039885 10.811 19 B 0.61368485962455 0.67685462387204 0.51785893039885 10.811 20 B 0.38631514037545 0.17685462387204 0.98214106960115 10.811 21 B 0.88406150014164 0.33671257294669 0.47241899839832 10.811 22 B 0.11593849985836 0.83671257294669 0.02758100160168 10.811 23 B 0.11593849985836 0.66328742705331 0.52758100160168 10.811 24 B 0.88406150014164 0.16328742705331 0.97241899839832 10.811 25 O 0.80972764601124 0.10260867614094 0.58175082471324 15.999 26 O 0.19027235398876 0.60260867614094 0.91824917528676 15.999 27 O 0.19027235398876 0.89739132385906 0.41824917528676 15.999 28 O 0.80972764601124 0.39739132385906 0.08175082471324 15.999 29 O 0.65417888228548 0.49313910234960 0.85280708509893 15.999 30 O 0.34582111771452 0.99313910234960 0.64719291490107 15.999 31 O 0.34582111771452 0.50686089765040 0.14719291490107 15.999 32 O 0.65417888228548 0.00686089765040 0.35280708509893 15.999 33 O 0.17636913548476 0.43420509106821 0.89529911339244 15.999 34 O 0.82363086451524 0.93420509106821 0.60470088660756 15.999 35 O 0.82363086451524 0.56579490893179 0.10470088660756 15.999 36 O 0.17636913548476 0.06579490893179 0.39529911339244 15.999 37 O 0.28699201815859 0.33040121827688 0.32114589929202 15.999 38 O 0.71300798184141 0.83040121827688 0.17885410070798 15.999 39 O 0.71300798184141 0.66959878172312 0.67885410070798 15.999 40 O 0.28699201815859 0.16959878172312 0.82114589929202 15.999 41 O 0.40851711014142 0.23747092859159 0.55606696796255 15.999 42 O 0.59148288985858 0.73747092859159 0.94393303203745 15.999 43 O 0.59148288985858 0.76252907140841 0.44393303203745 15.999 44 O 0.40851711014142 0.26252907140841 0.05606696796255 15.999 45 O 0.45505844011832 0.40574410244782 0.56871491871608 15.999 46 O 0.54494155988168 0.90574410244782 0.93128508128392 15.999 47 O 0.54494155988168 0.59425589755218 0.43128508128392 15.999 48 O 0.45505844011832 0.09425589755218 0.06871491871608 15.999 49 O 0.82120180274684 0.25733956805732 0.37969004398831 15.999 50 O 0.17879819725316 0.75733956805732 0.12030995601169 15.999 51 O 0.17879819725316 0.74266043194268 0.62030995601169 15.999 52 O 0.82120180274684 0.24266043194268 0.87969004398831 15.999 53 O 0.83267844801525 0.42586117433982 0.40648808830979 15.999 54 O 0.16732155198475 0.92586117433982 0.09351191169021 15.999 55 O 0.16732155198475 0.57413882566018 0.59351191169021 15.999 56 O 0.83267844801525 0.07413882566018 0.90648808830979 15.999 57 O 0.99436324908221 0.33171737745659 0.63294335273274 15.999 58 O 0.00563675091779 0.83171737745659 0.86705664726726 15.999 59 O 0.00563675091779 0.66828262254341 0.36705664726726 15.999 60 O 0.99436324908221 0.16828262254341 0.13294335273274 15.999 61 Pr 0.84719505610690 0.49767646199331 0.65961613855007 140.908 62 Pr 0.15280494389310 0.99767646199331 0.84038386144993 140.908 63 Pr 0.15280494389310 0.50232353800669 0.34038386144993 140.908 64 Pr 0.84719505610690 0.00232353800669 0.15961613855007 140.908 65 Pr 0.44217608387942 0.33589248140782 0.80808694496742 140.908 66 Pr 0.55782391612058 0.83589248140782 0.69191305503258 140.908 67 Pr 0.55782391612058 0.66410751859218 0.19191305503258 140.908 68 Pr 0.44217608387942 0.16410751859218 0.30808694496742 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.505017060004276 0.000000000000000 0.000000000000000 b 0.000000000000000 14.154411220000000 0.000000000000000 c -3.652139570540592 0.000000000000000 8.594594791009641 Atomic positions (fractional): 1 Li 0.27499354509065 0.11148277377018 0.70870447722962 6.941 > 1 2 Li 0.77499354509065 0.11148277377018 0.70870447722962 6.941 > 1 3 Li 0.22500645490935 0.61148277377018 0.79129552277038 6.941 > 3 4 Li 0.72500645490935 0.61148277377018 0.79129552277038 6.941 > 3 5 Li 0.22500645490935 0.88851722622982 0.29129552277039 6.941 > 5 6 Li 0.72500645490935 0.88851722622982 0.29129552277039 6.941 > 5 7 Li 0.27499354509065 0.38851722622982 0.20870447722961 6.941 > 7 8 Li 0.77499354509065 0.38851722622982 0.20870447722961 6.941 > 7 9 Li 0.03854402631093 0.16559442224658 0.50543936732596 6.941 > 9 10 Li 0.53854402631093 0.16559442224658 0.50543936732596 6.941 > 9 11 Li 0.46145597368907 0.66559442224658 0.99456063267404 6.941 > 11 12 Li 0.96145597368907 0.66559442224658 0.99456063267404 6.941 > 11 13 Li 0.46145597368907 0.83440557775342 0.49456063267404 6.941 > 13 14 Li 0.96145597368907 0.83440557775342 0.49456063267404 6.941 > 13 15 Li 0.03854402631093 0.33440557775342 0.00543936732596 6.941 > 15 16 Li 0.53854402631093 0.33440557775342 0.00543936732596 6.941 > 15 17 Li 0.45803896725476 0.21530455856040 0.70917044427915 6.941 > 17 18 Li 0.95803896725476 0.21530455856040 0.70917044427915 6.941 > 17 19 Li 0.04196103274524 0.71530455856040 0.79082955572085 6.941 > 19 20 Li 0.54196103274524 0.71530455856040 0.79082955572085 6.941 > 19 21 Li 0.04196103274524 0.78469544143960 0.29082955572084 6.941 > 21 22 Li 0.54196103274524 0.78469544143960 0.29082955572084 6.941 > 21 23 Li 0.45803896725476 0.28469544143960 0.20917044427916 6.941 > 23 24 Li 0.95803896725476 0.28469544143960 0.20917044427916 6.941 > 23 25 B 0.38149672449610 0.01462275843073 0.51319322433274 10.811 > 25 26 B 0.88149672449610 0.01462275843073 0.51319322433274 10.811 > 25 27 B 0.11850327550390 0.51462275843073 0.98680677566726 10.811 > 27 28 B 0.61850327550390 0.51462275843073 0.98680677566726 10.811 > 27 29 B 0.11850327550390 0.98537724156927 0.48680677566726 10.811 > 29 30 B 0.61850327550390 0.98537724156927 0.48680677566726 10.811 > 29 31 B 0.38149672449610 0.48537724156927 0.01319322433274 10.811 > 31 32 B 0.88149672449610 0.48537724156927 0.01319322433274 10.811 > 31 33 B 0.19315757018773 0.32314537612796 0.48214106960115 10.811 > 33 34 B 0.69315757018773 0.32314537612796 0.48214106960115 10.811 > 33 35 B 0.30684242981227 0.82314537612796 0.01785893039885 10.811 > 35 36 B 0.80684242981227 0.82314537612796 0.01785893039885 10.811 > 35 37 B 0.30684242981227 0.67685462387204 0.51785893039885 10.811 > 37 38 B 0.80684242981227 0.67685462387204 0.51785893039885 10.811 > 37 39 B 0.19315757018773 0.17685462387204 0.98214106960115 10.811 > 39 40 B 0.69315757018773 0.17685462387204 0.98214106960115 10.811 > 39 41 B 0.44203075007082 0.33671257294669 0.47241899839832 10.811 > 41 42 B 0.94203075007082 0.33671257294669 0.47241899839832 10.811 > 41 43 B 0.05796924992918 0.83671257294669 0.02758100160168 10.811 > 43 44 B 0.55796924992918 0.83671257294669 0.02758100160168 10.811 > 43 45 B 0.05796924992918 0.66328742705331 0.52758100160168 10.811 > 45 46 B 0.55796924992918 0.66328742705331 0.52758100160168 10.811 > 45 47 B 0.44203075007082 0.16328742705331 0.97241899839832 10.811 > 47 48 B 0.94203075007082 0.16328742705331 0.97241899839832 10.811 > 47 49 O 0.40486382300562 0.10260867614094 0.58175082471324 15.999 > 49 50 O 0.90486382300562 0.10260867614094 0.58175082471324 15.999 > 49 51 O 0.09513617699438 0.60260867614094 0.91824917528676 15.999 > 51 52 O 0.59513617699438 0.60260867614094 0.91824917528676 15.999 > 51 53 O 0.09513617699438 0.89739132385906 0.41824917528676 15.999 > 53 54 O 0.59513617699438 0.89739132385906 0.41824917528676 15.999 > 53 55 O 0.40486382300562 0.39739132385906 0.08175082471324 15.999 > 55 56 O 0.90486382300562 0.39739132385906 0.08175082471324 15.999 > 55 57 O 0.32708944114274 0.49313910234960 0.85280708509893 15.999 > 57 58 O 0.82708944114274 0.49313910234960 0.85280708509893 15.999 > 57 59 O 0.17291055885726 0.99313910234960 0.64719291490107 15.999 > 59 60 O 0.67291055885726 0.99313910234960 0.64719291490107 15.999 > 59 61 O 0.17291055885726 0.50686089765040 0.14719291490107 15.999 > 61 62 O 0.67291055885726 0.50686089765040 0.14719291490107 15.999 > 61 63 O 0.32708944114274 0.00686089765040 0.35280708509893 15.999 > 63 64 O 0.82708944114274 0.00686089765040 0.35280708509893 15.999 > 63 65 O 0.08818456774238 0.43420509106821 0.89529911339244 15.999 > 65 66 O 0.58818456774238 0.43420509106821 0.89529911339244 15.999 > 65 67 O 0.41181543225762 0.93420509106821 0.60470088660756 15.999 > 67 68 O 0.91181543225762 0.93420509106821 0.60470088660756 15.999 > 67 69 O 0.41181543225762 0.56579490893179 0.10470088660756 15.999 > 69 70 O 0.91181543225762 0.56579490893179 0.10470088660756 15.999 > 69 71 O 0.08818456774238 0.06579490893179 0.39529911339244 15.999 > 71 72 O 0.58818456774238 0.06579490893179 0.39529911339244 15.999 > 71 73 O 0.14349600907929 0.33040121827688 0.32114589929202 15.999 > 73 74 O 0.64349600907929 0.33040121827688 0.32114589929202 15.999 > 73 75 O 0.35650399092071 0.83040121827688 0.17885410070798 15.999 > 75 76 O 0.85650399092071 0.83040121827688 0.17885410070798 15.999 > 75 77 O 0.35650399092071 0.66959878172312 0.67885410070798 15.999 > 77 78 O 0.85650399092071 0.66959878172312 0.67885410070798 15.999 > 77 79 O 0.14349600907929 0.16959878172312 0.82114589929202 15.999 > 79 80 O 0.64349600907929 0.16959878172312 0.82114589929202 15.999 > 79 81 O 0.20425855507071 0.23747092859159 0.55606696796255 15.999 > 81 82 O 0.70425855507071 0.23747092859159 0.55606696796255 15.999 > 81 83 O 0.29574144492929 0.73747092859159 0.94393303203745 15.999 > 83 84 O 0.79574144492929 0.73747092859159 0.94393303203745 15.999 > 83 85 O 0.29574144492929 0.76252907140841 0.44393303203745 15.999 > 85 86 O 0.79574144492929 0.76252907140841 0.44393303203745 15.999 > 85 87 O 0.20425855507071 0.26252907140841 0.05606696796255 15.999 > 87 88 O 0.70425855507071 0.26252907140841 0.05606696796255 15.999 > 87 89 O 0.22752922005916 0.40574410244782 0.56871491871608 15.999 > 89 90 O 0.72752922005916 0.40574410244782 0.56871491871608 15.999 > 89 91 O 0.27247077994084 0.90574410244782 0.93128508128392 15.999 > 91 92 O 0.77247077994084 0.90574410244782 0.93128508128392 15.999 > 91 93 O 0.27247077994084 0.59425589755218 0.43128508128392 15.999 > 93 94 O 0.77247077994084 0.59425589755218 0.43128508128392 15.999 > 93 95 O 0.22752922005916 0.09425589755218 0.06871491871608 15.999 > 95 96 O 0.72752922005916 0.09425589755218 0.06871491871608 15.999 > 95 97 O 0.41060090137342 0.25733956805732 0.37969004398831 15.999 > 97 98 O 0.91060090137342 0.25733956805732 0.37969004398831 15.999 > 97 99 O 0.08939909862658 0.75733956805732 0.12030995601169 15.999 > 99 100 O 0.58939909862658 0.75733956805732 0.12030995601169 15.999 > 99 101 O 0.08939909862658 0.74266043194268 0.62030995601169 15.999 > 101 102 O 0.58939909862658 0.74266043194268 0.62030995601169 15.999 > 101 103 O 0.41060090137342 0.24266043194268 0.87969004398831 15.999 > 103 104 O 0.91060090137342 0.24266043194268 0.87969004398831 15.999 > 103 105 O 0.41633922400763 0.42586117433982 0.40648808830979 15.999 > 105 106 O 0.91633922400763 0.42586117433982 0.40648808830979 15.999 > 105 107 O 0.08366077599237 0.92586117433982 0.09351191169021 15.999 > 107 108 O 0.58366077599237 0.92586117433982 0.09351191169021 15.999 > 107 109 O 0.08366077599237 0.57413882566018 0.59351191169021 15.999 > 109 110 O 0.58366077599237 0.57413882566018 0.59351191169021 15.999 > 109 111 O 0.41633922400763 0.07413882566018 0.90648808830979 15.999 > 111 112 O 0.91633922400763 0.07413882566018 0.90648808830979 15.999 > 111 113 O 0.49718162454110 0.33171737745659 0.63294335273274 15.999 > 113 114 O 0.99718162454110 0.33171737745659 0.63294335273274 15.999 > 113 115 O 0.00281837545890 0.83171737745659 0.86705664726726 15.999 > 115 116 O 0.50281837545890 0.83171737745659 0.86705664726726 15.999 > 115 117 O 0.00281837545890 0.66828262254341 0.36705664726726 15.999 > 117 118 O 0.50281837545890 0.66828262254341 0.36705664726726 15.999 > 117 119 O 0.49718162454110 0.16828262254341 0.13294335273274 15.999 > 119 120 O 0.99718162454110 0.16828262254341 0.13294335273274 15.999 > 119 121 Pr 0.42359752805345 0.49767646199331 0.65961613855007 140.908 > 121 122 Pr 0.92359752805345 0.49767646199331 0.65961613855007 140.908 > 121 123 Pr 0.07640247194655 0.99767646199331 0.84038386144993 140.908 > 123 124 Pr 0.57640247194655 0.99767646199331 0.84038386144993 140.908 > 123 125 Pr 0.07640247194655 0.50232353800669 0.34038386144993 140.908 > 125 126 Pr 0.57640247194655 0.50232353800669 0.34038386144993 140.908 > 125 127 Pr 0.42359752805345 0.00232353800669 0.15961613855007 140.908 > 127 128 Pr 0.92359752805345 0.00232353800669 0.15961613855007 140.908 > 127 129 Pr 0.22108804193971 0.33589248140782 0.80808694496742 140.908 > 129 130 Pr 0.72108804193971 0.33589248140782 0.80808694496742 140.908 > 129 131 Pr 0.27891195806029 0.83589248140782 0.69191305503258 140.908 > 131 132 Pr 0.77891195806029 0.83589248140782 0.69191305503258 140.908 > 131 133 Pr 0.27891195806029 0.66410751859218 0.19191305503258 140.908 > 133 134 Pr 0.77891195806029 0.66410751859218 0.19191305503258 140.908 > 133 135 Pr 0.22108804193971 0.16410751859218 0.30808694496742 140.908 > 135 136 Pr 0.72108804193971 0.16410751859218 0.30808694496742 140.908 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.2764235 0.0000000 0.0001479 0.0000000 3.6123493 0.0000000 0.0001512 0.0000000 3.6525382 -------------------------- Born effective charges -------------------------- 1 Li 1.0770280 -0.0004670 0.0107780 -0.0345972 1.1290822 0.0294616 -0.0363487 0.0632657 1.2105906 2 Li 1.0770280 0.0004670 0.0107780 0.0345972 1.1290822 -0.0294616 -0.0363487 -0.0632657 1.2105906 3 Li 1.0770280 -0.0004670 0.0107780 -0.0345972 1.1290822 0.0294616 -0.0363487 0.0632657 1.2105906 4 Li 1.0770280 0.0004670 0.0107780 0.0345972 1.1290822 -0.0294616 -0.0363487 -0.0632657 1.2105906 5 Li 1.1226408 -0.0152735 -0.0065165 0.0582453 1.2370747 0.0048516 -0.0445816 0.0429514 0.9474558 6 Li 1.1226408 0.0152735 -0.0065165 -0.0582453 1.2370747 -0.0048516 -0.0445816 -0.0429514 0.9474558 7 Li 1.1226408 -0.0152735 -0.0065165 0.0582453 1.2370747 0.0048516 -0.0445816 0.0429514 0.9474558 8 Li 1.1226408 0.0152735 -0.0065165 -0.0582453 1.2370747 -0.0048516 -0.0445816 -0.0429514 0.9474558 9 Li 1.0274723 0.0263461 -0.0056186 0.0243666 1.0996287 -0.0586026 0.0701865 -0.0353291 1.1310028 10 Li 1.0274723 -0.0263461 -0.0056186 -0.0243666 1.0996287 0.0586026 0.0701865 0.0353291 1.1310028 11 Li 1.0274723 0.0263461 -0.0056186 0.0243666 1.0996287 -0.0586026 0.0701865 -0.0353291 1.1310028 12 Li 1.0274723 -0.0263461 -0.0056186 -0.0243666 1.0996287 0.0586026 0.0701865 0.0353291 1.1310028 13 B 0.7221731 0.0956583 -0.2355504 -0.0092234 2.4263136 -0.3146118 0.0625467 -0.2428553 2.8357912 14 B 0.7221731 -0.0956583 -0.2355504 0.0092234 2.4263136 0.3146118 0.0625467 0.2428553 2.8357912 15 B 0.7221731 0.0956583 -0.2355504 -0.0092234 2.4263136 -0.3146118 0.0625467 -0.2428553 2.8357912 16 B 0.7221731 -0.0956583 -0.2355504 0.0092234 2.4263136 0.3146118 0.0625467 0.2428553 2.8357912 17 B 0.7333551 0.2562956 0.0506686 0.1860470 2.4199813 0.0538938 -0.0289047 0.0691489 2.3525814 18 B 0.7333551 -0.2562956 0.0506686 -0.1860470 2.4199813 -0.0538938 -0.0289047 -0.0691489 2.3525814 19 B 0.7333551 0.2562956 0.0506686 0.1860470 2.4199813 0.0538938 -0.0289047 0.0691489 2.3525814 20 B 0.7333551 -0.2562956 0.0506686 -0.1860470 2.4199813 -0.0538938 -0.0289047 -0.0691489 2.3525814 21 B 0.7311759 0.4278381 0.3563950 -0.0352851 2.8006839 0.3090717 0.0601941 0.2337120 2.5830845 22 B 0.7311759 -0.4278381 0.3563950 0.0352851 2.8006839 -0.3090717 0.0601941 -0.2337120 2.5830845 23 B 0.7311759 0.4278381 0.3563950 -0.0352851 2.8006839 0.3090717 0.0601941 0.2337120 2.5830845 24 B 0.7311759 -0.4278381 0.3563950 0.0352851 2.8006839 -0.3090717 0.0601941 -0.2337120 2.5830845 25 O -1.2307319 0.0612044 -0.1193100 0.1259541 -2.1840320 -0.0861790 -0.2788999 -0.1577913 -2.0237167 26 O -1.2307319 -0.0612044 -0.1193100 -0.1259541 -2.1840320 0.0861790 -0.2788999 0.1577913 -2.0237167 27 O -1.2307319 0.0612044 -0.1193100 0.1259541 -2.1840320 -0.0861790 -0.2788999 -0.1577913 -2.0237167 28 O -1.2307319 -0.0612044 -0.1193100 -0.1259541 -2.1840320 0.0861790 -0.2788999 0.1577913 -2.0237167 29 O -1.5719959 -0.2275551 0.3160242 -0.2687491 -1.6634554 -0.0798872 0.3452941 -0.0137914 -2.6778782 30 O -1.5719959 0.2275551 0.3160242 0.2687491 -1.6634554 0.0798872 0.3452941 0.0137914 -2.6778782 31 O -1.5719959 -0.2275551 0.3160242 -0.2687491 -1.6634554 -0.0798872 0.3452941 -0.0137914 -2.6778782 32 O -1.5719959 0.2275551 0.3160242 0.2687491 -1.6634554 0.0798872 0.3452941 0.0137914 -2.6778782 33 O -1.5787425 0.3947605 -0.0105680 0.5020005 -2.2391693 -0.4965052 -0.0599471 -0.4658478 -2.1345919 34 O -1.5787425 -0.3947605 -0.0105680 -0.5020005 -2.2391693 0.4965052 -0.0599471 0.4658478 -2.1345919 35 O -1.5787425 0.3947605 -0.0105680 0.5020005 -2.2391693 -0.4965052 -0.0599471 -0.4658478 -2.1345919 36 O -1.5787425 -0.3947605 -0.0105680 -0.5020005 -2.2391693 0.4965052 -0.0599471 0.4658478 -2.1345919 37 O -1.3423835 0.3374070 -0.0002707 0.3735965 -2.1729007 -0.0487605 0.0025690 0.0115918 -2.2500319 38 O -1.3423835 -0.3374070 -0.0002707 -0.3735965 -2.1729007 0.0487605 0.0025690 -0.0115918 -2.2500319 39 O -1.3423835 0.3374070 -0.0002707 0.3735965 -2.1729007 -0.0487605 0.0025690 0.0115918 -2.2500319 40 O -1.3423835 -0.3374070 -0.0002707 -0.3735965 -2.1729007 0.0487605 0.0025690 -0.0115918 -2.2500319 41 O -1.2503962 0.0333065 0.2564000 0.0772008 -2.3093724 0.0649459 0.3525889 0.0380096 -2.0381281 42 O -1.2503962 -0.0333065 0.2564000 -0.0772008 -2.3093724 -0.0649459 0.3525889 -0.0380096 -2.0381281 43 O -1.2503962 0.0333065 0.2564000 0.0772008 -2.3093724 0.0649459 0.3525889 0.0380096 -2.0381281 44 O -1.2503962 -0.0333065 0.2564000 -0.0772008 -2.3093724 -0.0649459 0.3525889 -0.0380096 -2.0381281 45 O -1.6164966 -0.3194695 -0.1584012 -0.4186965 -2.2372245 -0.1718097 -0.1741182 -0.1042162 -2.2105303 46 O -1.6164966 0.3194695 -0.1584012 0.4186965 -2.2372245 0.1718097 -0.1741182 0.1042162 -2.2105303 47 O -1.6164966 -0.3194695 -0.1584012 -0.4186965 -2.2372245 -0.1718097 -0.1741182 -0.1042162 -2.2105303 48 O -1.6164966 0.3194695 -0.1584012 0.4186965 -2.2372245 0.1718097 -0.1741182 0.1042162 -2.2105303 49 O -1.6222876 -0.4858624 -0.2961454 -0.4367001 -2.3779845 -0.7047150 -0.2468664 -0.6448035 -1.7260399 50 O -1.6222876 0.4858624 -0.2961454 0.4367001 -2.3779845 0.7047150 -0.2468664 0.6448035 -1.7260399 51 O -1.6222876 -0.4858624 -0.2961454 -0.4367001 -2.3779845 -0.7047150 -0.2468664 -0.6448035 -1.7260399 52 O -1.6222876 0.4858624 -0.2961454 0.4367001 -2.3779845 0.7047150 -0.2468664 0.6448035 -1.7260399 53 O -1.6118941 -0.2976468 0.2605541 -0.2327810 -2.2625668 0.2160628 0.4045309 0.2521772 -1.7953716 54 O -1.6118941 0.2976468 0.2605541 0.2327810 -2.2625668 -0.2160628 0.4045309 -0.2521772 -1.7953716 55 O -1.6118941 -0.2976468 0.2605541 -0.2327810 -2.2625668 0.2160628 0.4045309 0.2521772 -1.7953716 56 O -1.6118941 0.2976468 0.2605541 0.2327810 -2.2625668 -0.2160628 0.4045309 -0.2521772 -1.7953716 57 O -1.5556593 0.1104015 -0.3894826 0.2486528 -1.7485029 -0.0016613 -0.4155969 -0.0247113 -2.4449501 58 O -1.5556593 -0.1104015 -0.3894826 -0.2486528 -1.7485029 0.0016613 -0.4155969 0.0247113 -2.4449501 59 O -1.5556593 0.1104015 -0.3894826 0.2486528 -1.7485029 -0.0016613 -0.4155969 -0.0247113 -2.4449501 60 O -1.5556593 -0.1104015 -0.3894826 -0.2486528 -1.7485029 0.0016613 -0.4155969 0.0247113 -2.4449501 61 Pr 4.0223305 -0.2114357 0.0335768 0.1243666 3.9018803 -0.0786773 -0.1343812 -0.1910530 4.1010881 62 Pr 4.0223305 0.2114357 0.0335768 -0.1243666 3.9018803 0.0786773 -0.1343812 0.1910530 4.1010881 63 Pr 4.0223305 -0.2114357 0.0335768 0.1243666 3.9018803 -0.0786773 -0.1343812 -0.1910530 4.1010881 64 Pr 4.0223305 0.2114357 0.0335768 -0.1243666 3.9018803 0.0786773 -0.1343812 0.1910530 4.1010881 65 Pr 3.9444119 0.1393147 -0.0625333 -0.1936161 4.1805640 -0.1866167 0.1217343 -0.1721852 4.1396444 66 Pr 3.9444119 -0.1393147 -0.0625333 0.1936161 4.1805640 0.1866167 0.1217343 0.1721852 4.1396444 67 Pr 3.9444119 0.1393147 -0.0625333 -0.1936161 4.1805640 -0.1866167 0.1217343 -0.1721852 4.1396444 68 Pr 3.9444119 -0.1393147 -0.0625333 0.1936161 4.1805640 0.1866167 0.1217343 0.1721852 4.1396444 ---------------------------------------------------------------------------- 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 9, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 89, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 105, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 113, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 121, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Computing fc3[ 129, 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] [-0.0039 0.0000 0.0092] [ 0.0039 0.0000 -0.0092] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) 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 00:25:45]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:25:46]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.752508530002138 0.000000000000000 0.000000000000000 b 0.000000000000000 14.154411220000000 0.000000000000000 c -3.652139570540592 0.000000000000000 8.594594791009641 Atomic positions (fractional): 1 Li 0.54998709018130 0.11148277377018 0.70870447722962 6.941 2 Li 0.45001290981870 0.61148277377018 0.79129552277038 6.941 3 Li 0.45001290981870 0.88851722622982 0.29129552277039 6.941 4 Li 0.54998709018130 0.38851722622982 0.20870447722961 6.941 5 Li 0.07708805262186 0.16559442224658 0.50543936732596 6.941 6 Li 0.92291194737814 0.66559442224658 0.99456063267404 6.941 7 Li 0.92291194737814 0.83440557775342 0.49456063267404 6.941 8 Li 0.07708805262186 0.33440557775342 0.00543936732596 6.941 9 Li 0.91607793450953 0.21530455856040 0.70917044427915 6.941 10 Li 0.08392206549047 0.71530455856040 0.79082955572085 6.941 11 Li 0.08392206549047 0.78469544143960 0.29082955572084 6.941 12 Li 0.91607793450953 0.28469544143960 0.20917044427916 6.941 13 B 0.76299344899220 0.01462275843073 0.51319322433274 10.811 14 B 0.23700655100780 0.51462275843073 0.98680677566726 10.811 15 B 0.23700655100780 0.98537724156927 0.48680677566726 10.811 16 B 0.76299344899220 0.48537724156927 0.01319322433274 10.811 17 B 0.38631514037545 0.32314537612796 0.48214106960115 10.811 18 B 0.61368485962455 0.82314537612796 0.01785893039885 10.811 19 B 0.61368485962455 0.67685462387204 0.51785893039885 10.811 20 B 0.38631514037545 0.17685462387204 0.98214106960115 10.811 21 B 0.88406150014164 0.33671257294669 0.47241899839832 10.811 22 B 0.11593849985836 0.83671257294669 0.02758100160168 10.811 23 B 0.11593849985836 0.66328742705331 0.52758100160168 10.811 24 B 0.88406150014164 0.16328742705331 0.97241899839832 10.811 25 O 0.80972764601124 0.10260867614094 0.58175082471324 15.999 26 O 0.19027235398876 0.60260867614094 0.91824917528676 15.999 27 O 0.19027235398876 0.89739132385906 0.41824917528676 15.999 28 O 0.80972764601124 0.39739132385906 0.08175082471324 15.999 29 O 0.65417888228548 0.49313910234960 0.85280708509893 15.999 30 O 0.34582111771452 0.99313910234960 0.64719291490107 15.999 31 O 0.34582111771452 0.50686089765040 0.14719291490107 15.999 32 O 0.65417888228548 0.00686089765040 0.35280708509893 15.999 33 O 0.17636913548476 0.43420509106821 0.89529911339244 15.999 34 O 0.82363086451524 0.93420509106821 0.60470088660756 15.999 35 O 0.82363086451524 0.56579490893179 0.10470088660756 15.999 36 O 0.17636913548476 0.06579490893179 0.39529911339244 15.999 37 O 0.28699201815859 0.33040121827688 0.32114589929202 15.999 38 O 0.71300798184141 0.83040121827688 0.17885410070798 15.999 39 O 0.71300798184141 0.66959878172312 0.67885410070798 15.999 40 O 0.28699201815859 0.16959878172312 0.82114589929202 15.999 41 O 0.40851711014142 0.23747092859159 0.55606696796255 15.999 42 O 0.59148288985858 0.73747092859159 0.94393303203745 15.999 43 O 0.59148288985858 0.76252907140841 0.44393303203745 15.999 44 O 0.40851711014142 0.26252907140841 0.05606696796255 15.999 45 O 0.45505844011832 0.40574410244782 0.56871491871608 15.999 46 O 0.54494155988168 0.90574410244782 0.93128508128392 15.999 47 O 0.54494155988168 0.59425589755218 0.43128508128392 15.999 48 O 0.45505844011832 0.09425589755218 0.06871491871608 15.999 49 O 0.82120180274684 0.25733956805732 0.37969004398831 15.999 50 O 0.17879819725316 0.75733956805732 0.12030995601169 15.999 51 O 0.17879819725316 0.74266043194268 0.62030995601169 15.999 52 O 0.82120180274684 0.24266043194268 0.87969004398831 15.999 53 O 0.83267844801525 0.42586117433982 0.40648808830979 15.999 54 O 0.16732155198475 0.92586117433982 0.09351191169021 15.999 55 O 0.16732155198475 0.57413882566018 0.59351191169021 15.999 56 O 0.83267844801525 0.07413882566018 0.90648808830979 15.999 57 O 0.99436324908221 0.33171737745659 0.63294335273274 15.999 58 O 0.00563675091779 0.83171737745659 0.86705664726726 15.999 59 O 0.00563675091779 0.66828262254341 0.36705664726726 15.999 60 O 0.99436324908221 0.16828262254341 0.13294335273274 15.999 61 Pr 0.84719505610690 0.49767646199331 0.65961613855007 140.908 62 Pr 0.15280494389310 0.99767646199331 0.84038386144993 140.908 63 Pr 0.15280494389310 0.50232353800669 0.34038386144993 140.908 64 Pr 0.84719505610690 0.00232353800669 0.15961613855007 140.908 65 Pr 0.44217608387942 0.33589248140782 0.80808694496742 140.908 66 Pr 0.55782391612058 0.83589248140782 0.69191305503258 140.908 67 Pr 0.55782391612058 0.66410751859218 0.19191305503258 140.908 68 Pr 0.44217608387942 0.16410751859218 0.30808694496742 140.908 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.505017060004276 0.000000000000000 0.000000000000000 b 0.000000000000000 14.154411220000000 0.000000000000000 c -3.652139570540592 0.000000000000000 8.594594791009641 Atomic positions (fractional): 1 Li 0.27499354509065 0.11148277377018 0.70870447722962 6.941 > 1 2 Li 0.77499354509065 0.11148277377018 0.70870447722962 6.941 > 1 3 Li 0.22500645490935 0.61148277377018 0.79129552277038 6.941 > 3 4 Li 0.72500645490935 0.61148277377018 0.79129552277038 6.941 > 3 5 Li 0.22500645490935 0.88851722622982 0.29129552277039 6.941 > 5 6 Li 0.72500645490935 0.88851722622982 0.29129552277039 6.941 > 5 7 Li 0.27499354509065 0.38851722622982 0.20870447722961 6.941 > 7 8 Li 0.77499354509065 0.38851722622982 0.20870447722961 6.941 > 7 9 Li 0.03854402631093 0.16559442224658 0.50543936732596 6.941 > 9 10 Li 0.53854402631093 0.16559442224658 0.50543936732596 6.941 > 9 11 Li 0.46145597368907 0.66559442224658 0.99456063267404 6.941 > 11 12 Li 0.96145597368907 0.66559442224658 0.99456063267404 6.941 > 11 13 Li 0.46145597368907 0.83440557775342 0.49456063267404 6.941 > 13 14 Li 0.96145597368907 0.83440557775342 0.49456063267404 6.941 > 13 15 Li 0.03854402631093 0.33440557775342 0.00543936732596 6.941 > 15 16 Li 0.53854402631093 0.33440557775342 0.00543936732596 6.941 > 15 17 Li 0.45803896725476 0.21530455856040 0.70917044427915 6.941 > 17 18 Li 0.95803896725476 0.21530455856040 0.70917044427915 6.941 > 17 19 Li 0.04196103274524 0.71530455856040 0.79082955572085 6.941 > 19 20 Li 0.54196103274524 0.71530455856040 0.79082955572085 6.941 > 19 21 Li 0.04196103274524 0.78469544143960 0.29082955572084 6.941 > 21 22 Li 0.54196103274524 0.78469544143960 0.29082955572084 6.941 > 21 23 Li 0.45803896725476 0.28469544143960 0.20917044427916 6.941 > 23 24 Li 0.95803896725476 0.28469544143960 0.20917044427916 6.941 > 23 25 B 0.38149672449610 0.01462275843073 0.51319322433274 10.811 > 25 26 B 0.88149672449610 0.01462275843073 0.51319322433274 10.811 > 25 27 B 0.11850327550390 0.51462275843073 0.98680677566726 10.811 > 27 28 B 0.61850327550390 0.51462275843073 0.98680677566726 10.811 > 27 29 B 0.11850327550390 0.98537724156927 0.48680677566726 10.811 > 29 30 B 0.61850327550390 0.98537724156927 0.48680677566726 10.811 > 29 31 B 0.38149672449610 0.48537724156927 0.01319322433274 10.811 > 31 32 B 0.88149672449610 0.48537724156927 0.01319322433274 10.811 > 31 33 B 0.19315757018773 0.32314537612796 0.48214106960115 10.811 > 33 34 B 0.69315757018773 0.32314537612796 0.48214106960115 10.811 > 33 35 B 0.30684242981227 0.82314537612796 0.01785893039885 10.811 > 35 36 B 0.80684242981227 0.82314537612796 0.01785893039885 10.811 > 35 37 B 0.30684242981227 0.67685462387204 0.51785893039885 10.811 > 37 38 B 0.80684242981227 0.67685462387204 0.51785893039885 10.811 > 37 39 B 0.19315757018773 0.17685462387204 0.98214106960115 10.811 > 39 40 B 0.69315757018773 0.17685462387204 0.98214106960115 10.811 > 39 41 B 0.44203075007082 0.33671257294669 0.47241899839832 10.811 > 41 42 B 0.94203075007082 0.33671257294669 0.47241899839832 10.811 > 41 43 B 0.05796924992918 0.83671257294669 0.02758100160168 10.811 > 43 44 B 0.55796924992918 0.83671257294669 0.02758100160168 10.811 > 43 45 B 0.05796924992918 0.66328742705331 0.52758100160168 10.811 > 45 46 B 0.55796924992918 0.66328742705331 0.52758100160168 10.811 > 45 47 B 0.44203075007082 0.16328742705331 0.97241899839832 10.811 > 47 48 B 0.94203075007082 0.16328742705331 0.97241899839832 10.811 > 47 49 O 0.40486382300562 0.10260867614094 0.58175082471324 15.999 > 49 50 O 0.90486382300562 0.10260867614094 0.58175082471324 15.999 > 49 51 O 0.09513617699438 0.60260867614094 0.91824917528676 15.999 > 51 52 O 0.59513617699438 0.60260867614094 0.91824917528676 15.999 > 51 53 O 0.09513617699438 0.89739132385906 0.41824917528676 15.999 > 53 54 O 0.59513617699438 0.89739132385906 0.41824917528676 15.999 > 53 55 O 0.40486382300562 0.39739132385906 0.08175082471324 15.999 > 55 56 O 0.90486382300562 0.39739132385906 0.08175082471324 15.999 > 55 57 O 0.32708944114274 0.49313910234960 0.85280708509893 15.999 > 57 58 O 0.82708944114274 0.49313910234960 0.85280708509893 15.999 > 57 59 O 0.17291055885726 0.99313910234960 0.64719291490107 15.999 > 59 60 O 0.67291055885726 0.99313910234960 0.64719291490107 15.999 > 59 61 O 0.17291055885726 0.50686089765040 0.14719291490107 15.999 > 61 62 O 0.67291055885726 0.50686089765040 0.14719291490107 15.999 > 61 63 O 0.32708944114274 0.00686089765040 0.35280708509893 15.999 > 63 64 O 0.82708944114274 0.00686089765040 0.35280708509893 15.999 > 63 65 O 0.08818456774238 0.43420509106821 0.89529911339244 15.999 > 65 66 O 0.58818456774238 0.43420509106821 0.89529911339244 15.999 > 65 67 O 0.41181543225762 0.93420509106821 0.60470088660756 15.999 > 67 68 O 0.91181543225762 0.93420509106821 0.60470088660756 15.999 > 67 69 O 0.41181543225762 0.56579490893179 0.10470088660756 15.999 > 69 70 O 0.91181543225762 0.56579490893179 0.10470088660756 15.999 > 69 71 O 0.08818456774238 0.06579490893179 0.39529911339244 15.999 > 71 72 O 0.58818456774238 0.06579490893179 0.39529911339244 15.999 > 71 73 O 0.14349600907929 0.33040121827688 0.32114589929202 15.999 > 73 74 O 0.64349600907929 0.33040121827688 0.32114589929202 15.999 > 73 75 O 0.35650399092071 0.83040121827688 0.17885410070798 15.999 > 75 76 O 0.85650399092071 0.83040121827688 0.17885410070798 15.999 > 75 77 O 0.35650399092071 0.66959878172312 0.67885410070798 15.999 > 77 78 O 0.85650399092071 0.66959878172312 0.67885410070798 15.999 > 77 79 O 0.14349600907929 0.16959878172312 0.82114589929202 15.999 > 79 80 O 0.64349600907929 0.16959878172312 0.82114589929202 15.999 > 79 81 O 0.20425855507071 0.23747092859159 0.55606696796255 15.999 > 81 82 O 0.70425855507071 0.23747092859159 0.55606696796255 15.999 > 81 83 O 0.29574144492929 0.73747092859159 0.94393303203745 15.999 > 83 84 O 0.79574144492929 0.73747092859159 0.94393303203745 15.999 > 83 85 O 0.29574144492929 0.76252907140841 0.44393303203745 15.999 > 85 86 O 0.79574144492929 0.76252907140841 0.44393303203745 15.999 > 85 87 O 0.20425855507071 0.26252907140841 0.05606696796255 15.999 > 87 88 O 0.70425855507071 0.26252907140841 0.05606696796255 15.999 > 87 89 O 0.22752922005916 0.40574410244782 0.56871491871608 15.999 > 89 90 O 0.72752922005916 0.40574410244782 0.56871491871608 15.999 > 89 91 O 0.27247077994084 0.90574410244782 0.93128508128392 15.999 > 91 92 O 0.77247077994084 0.90574410244782 0.93128508128392 15.999 > 91 93 O 0.27247077994084 0.59425589755218 0.43128508128392 15.999 > 93 94 O 0.77247077994084 0.59425589755218 0.43128508128392 15.999 > 93 95 O 0.22752922005916 0.09425589755218 0.06871491871608 15.999 > 95 96 O 0.72752922005916 0.09425589755218 0.06871491871608 15.999 > 95 97 O 0.41060090137342 0.25733956805732 0.37969004398831 15.999 > 97 98 O 0.91060090137342 0.25733956805732 0.37969004398831 15.999 > 97 99 O 0.08939909862658 0.75733956805732 0.12030995601169 15.999 > 99 100 O 0.58939909862658 0.75733956805732 0.12030995601169 15.999 > 99 101 O 0.08939909862658 0.74266043194268 0.62030995601169 15.999 > 101 102 O 0.58939909862658 0.74266043194268 0.62030995601169 15.999 > 101 103 O 0.41060090137342 0.24266043194268 0.87969004398831 15.999 > 103 104 O 0.91060090137342 0.24266043194268 0.87969004398831 15.999 > 103 105 O 0.41633922400763 0.42586117433982 0.40648808830979 15.999 > 105 106 O 0.91633922400763 0.42586117433982 0.40648808830979 15.999 > 105 107 O 0.08366077599237 0.92586117433982 0.09351191169021 15.999 > 107 108 O 0.58366077599237 0.92586117433982 0.09351191169021 15.999 > 107 109 O 0.08366077599237 0.57413882566018 0.59351191169021 15.999 > 109 110 O 0.58366077599237 0.57413882566018 0.59351191169021 15.999 > 109 111 O 0.41633922400763 0.07413882566018 0.90648808830979 15.999 > 111 112 O 0.91633922400763 0.07413882566018 0.90648808830979 15.999 > 111 113 O 0.49718162454110 0.33171737745659 0.63294335273274 15.999 > 113 114 O 0.99718162454110 0.33171737745659 0.63294335273274 15.999 > 113 115 O 0.00281837545890 0.83171737745659 0.86705664726726 15.999 > 115 116 O 0.50281837545890 0.83171737745659 0.86705664726726 15.999 > 115 117 O 0.00281837545890 0.66828262254341 0.36705664726726 15.999 > 117 118 O 0.50281837545890 0.66828262254341 0.36705664726726 15.999 > 117 119 O 0.49718162454110 0.16828262254341 0.13294335273274 15.999 > 119 120 O 0.99718162454110 0.16828262254341 0.13294335273274 15.999 > 119 121 Pr 0.42359752805345 0.49767646199331 0.65961613855007 140.908 > 121 122 Pr 0.92359752805345 0.49767646199331 0.65961613855007 140.908 > 121 123 Pr 0.07640247194655 0.99767646199331 0.84038386144993 140.908 > 123 124 Pr 0.57640247194655 0.99767646199331 0.84038386144993 140.908 > 123 125 Pr 0.07640247194655 0.50232353800669 0.34038386144993 140.908 > 125 126 Pr 0.57640247194655 0.50232353800669 0.34038386144993 140.908 > 125 127 Pr 0.42359752805345 0.00232353800669 0.15961613855007 140.908 > 127 128 Pr 0.92359752805345 0.00232353800669 0.15961613855007 140.908 > 127 129 Pr 0.22108804193971 0.33589248140782 0.80808694496742 140.908 > 129 130 Pr 0.72108804193971 0.33589248140782 0.80808694496742 140.908 > 129 131 Pr 0.27891195806029 0.83589248140782 0.69191305503258 140.908 > 131 132 Pr 0.77891195806029 0.83589248140782 0.69191305503258 140.908 > 131 133 Pr 0.27891195806029 0.66410751859218 0.19191305503258 140.908 > 133 134 Pr 0.77891195806029 0.66410751859218 0.19191305503258 140.908 > 133 135 Pr 0.22108804193971 0.16410751859218 0.30808694496742 140.908 > 135 136 Pr 0.72108804193971 0.16410751859218 0.30808694496742 140.908 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.2764235 0.0000000 0.0001479 0.0000000 3.6123493 0.0000000 0.0001512 0.0000000 3.6525382 -------------------------- Born effective charges -------------------------- 1 Li 1.0770280 -0.0004670 0.0107780 -0.0345972 1.1290822 0.0294616 -0.0363487 0.0632657 1.2105906 2 Li 1.0770280 0.0004670 0.0107780 0.0345972 1.1290822 -0.0294616 -0.0363487 -0.0632657 1.2105906 3 Li 1.0770280 -0.0004670 0.0107780 -0.0345972 1.1290822 0.0294616 -0.0363487 0.0632657 1.2105906 4 Li 1.0770280 0.0004670 0.0107780 0.0345972 1.1290822 -0.0294616 -0.0363487 -0.0632657 1.2105906 5 Li 1.1226408 -0.0152735 -0.0065165 0.0582453 1.2370747 0.0048516 -0.0445816 0.0429514 0.9474558 6 Li 1.1226408 0.0152735 -0.0065165 -0.0582453 1.2370747 -0.0048516 -0.0445816 -0.0429514 0.9474558 7 Li 1.1226408 -0.0152735 -0.0065165 0.0582453 1.2370747 0.0048516 -0.0445816 0.0429514 0.9474558 8 Li 1.1226408 0.0152735 -0.0065165 -0.0582453 1.2370747 -0.0048516 -0.0445816 -0.0429514 0.9474558 9 Li 1.0274723 0.0263461 -0.0056186 0.0243666 1.0996287 -0.0586026 0.0701865 -0.0353291 1.1310028 10 Li 1.0274723 -0.0263461 -0.0056186 -0.0243666 1.0996287 0.0586026 0.0701865 0.0353291 1.1310028 11 Li 1.0274723 0.0263461 -0.0056186 0.0243666 1.0996287 -0.0586026 0.0701865 -0.0353291 1.1310028 12 Li 1.0274723 -0.0263461 -0.0056186 -0.0243666 1.0996287 0.0586026 0.0701865 0.0353291 1.1310028 13 B 0.7221731 0.0956583 -0.2355504 -0.0092234 2.4263136 -0.3146118 0.0625467 -0.2428553 2.8357912 14 B 0.7221731 -0.0956583 -0.2355504 0.0092234 2.4263136 0.3146118 0.0625467 0.2428553 2.8357912 15 B 0.7221731 0.0956583 -0.2355504 -0.0092234 2.4263136 -0.3146118 0.0625467 -0.2428553 2.8357912 16 B 0.7221731 -0.0956583 -0.2355504 0.0092234 2.4263136 0.3146118 0.0625467 0.2428553 2.8357912 17 B 0.7333551 0.2562956 0.0506686 0.1860470 2.4199813 0.0538938 -0.0289047 0.0691489 2.3525814 18 B 0.7333551 -0.2562956 0.0506686 -0.1860470 2.4199813 -0.0538938 -0.0289047 -0.0691489 2.3525814 19 B 0.7333551 0.2562956 0.0506686 0.1860470 2.4199813 0.0538938 -0.0289047 0.0691489 2.3525814 20 B 0.7333551 -0.2562956 0.0506686 -0.1860470 2.4199813 -0.0538938 -0.0289047 -0.0691489 2.3525814 21 B 0.7311759 0.4278381 0.3563950 -0.0352851 2.8006839 0.3090717 0.0601941 0.2337120 2.5830845 22 B 0.7311759 -0.4278381 0.3563950 0.0352851 2.8006839 -0.3090717 0.0601941 -0.2337120 2.5830845 23 B 0.7311759 0.4278381 0.3563950 -0.0352851 2.8006839 0.3090717 0.0601941 0.2337120 2.5830845 24 B 0.7311759 -0.4278381 0.3563950 0.0352851 2.8006839 -0.3090717 0.0601941 -0.2337120 2.5830845 25 O -1.2307319 0.0612044 -0.1193100 0.1259541 -2.1840320 -0.0861790 -0.2788999 -0.1577913 -2.0237167 26 O -1.2307319 -0.0612044 -0.1193100 -0.1259541 -2.1840320 0.0861790 -0.2788999 0.1577913 -2.0237167 27 O -1.2307319 0.0612044 -0.1193100 0.1259541 -2.1840320 -0.0861790 -0.2788999 -0.1577913 -2.0237167 28 O -1.2307319 -0.0612044 -0.1193100 -0.1259541 -2.1840320 0.0861790 -0.2788999 0.1577913 -2.0237167 29 O -1.5719959 -0.2275551 0.3160242 -0.2687491 -1.6634554 -0.0798872 0.3452941 -0.0137914 -2.6778782 30 O -1.5719959 0.2275551 0.3160242 0.2687491 -1.6634554 0.0798872 0.3452941 0.0137914 -2.6778782 31 O -1.5719959 -0.2275551 0.3160242 -0.2687491 -1.6634554 -0.0798872 0.3452941 -0.0137914 -2.6778782 32 O -1.5719959 0.2275551 0.3160242 0.2687491 -1.6634554 0.0798872 0.3452941 0.0137914 -2.6778782 33 O -1.5787425 0.3947605 -0.0105680 0.5020005 -2.2391693 -0.4965052 -0.0599471 -0.4658478 -2.1345919 34 O -1.5787425 -0.3947605 -0.0105680 -0.5020005 -2.2391693 0.4965052 -0.0599471 0.4658478 -2.1345919 35 O -1.5787425 0.3947605 -0.0105680 0.5020005 -2.2391693 -0.4965052 -0.0599471 -0.4658478 -2.1345919 36 O -1.5787425 -0.3947605 -0.0105680 -0.5020005 -2.2391693 0.4965052 -0.0599471 0.4658478 -2.1345919 37 O -1.3423835 0.3374070 -0.0002707 0.3735965 -2.1729007 -0.0487605 0.0025690 0.0115918 -2.2500319 38 O -1.3423835 -0.3374070 -0.0002707 -0.3735965 -2.1729007 0.0487605 0.0025690 -0.0115918 -2.2500319 39 O -1.3423835 0.3374070 -0.0002707 0.3735965 -2.1729007 -0.0487605 0.0025690 0.0115918 -2.2500319 40 O -1.3423835 -0.3374070 -0.0002707 -0.3735965 -2.1729007 0.0487605 0.0025690 -0.0115918 -2.2500319 41 O -1.2503962 0.0333065 0.2564000 0.0772008 -2.3093724 0.0649459 0.3525889 0.0380096 -2.0381281 42 O -1.2503962 -0.0333065 0.2564000 -0.0772008 -2.3093724 -0.0649459 0.3525889 -0.0380096 -2.0381281 43 O -1.2503962 0.0333065 0.2564000 0.0772008 -2.3093724 0.0649459 0.3525889 0.0380096 -2.0381281 44 O -1.2503962 -0.0333065 0.2564000 -0.0772008 -2.3093724 -0.0649459 0.3525889 -0.0380096 -2.0381281 45 O -1.6164966 -0.3194695 -0.1584012 -0.4186965 -2.2372245 -0.1718097 -0.1741182 -0.1042162 -2.2105303 46 O -1.6164966 0.3194695 -0.1584012 0.4186965 -2.2372245 0.1718097 -0.1741182 0.1042162 -2.2105303 47 O -1.6164966 -0.3194695 -0.1584012 -0.4186965 -2.2372245 -0.1718097 -0.1741182 -0.1042162 -2.2105303 48 O -1.6164966 0.3194695 -0.1584012 0.4186965 -2.2372245 0.1718097 -0.1741182 0.1042162 -2.2105303 49 O -1.6222876 -0.4858624 -0.2961454 -0.4367001 -2.3779845 -0.7047150 -0.2468664 -0.6448035 -1.7260399 50 O -1.6222876 0.4858624 -0.2961454 0.4367001 -2.3779845 0.7047150 -0.2468664 0.6448035 -1.7260399 51 O -1.6222876 -0.4858624 -0.2961454 -0.4367001 -2.3779845 -0.7047150 -0.2468664 -0.6448035 -1.7260399 52 O -1.6222876 0.4858624 -0.2961454 0.4367001 -2.3779845 0.7047150 -0.2468664 0.6448035 -1.7260399 53 O -1.6118941 -0.2976468 0.2605541 -0.2327810 -2.2625668 0.2160628 0.4045309 0.2521772 -1.7953716 54 O -1.6118941 0.2976468 0.2605541 0.2327810 -2.2625668 -0.2160628 0.4045309 -0.2521772 -1.7953716 55 O -1.6118941 -0.2976468 0.2605541 -0.2327810 -2.2625668 0.2160628 0.4045309 0.2521772 -1.7953716 56 O -1.6118941 0.2976468 0.2605541 0.2327810 -2.2625668 -0.2160628 0.4045309 -0.2521772 -1.7953716 57 O -1.5556593 0.1104015 -0.3894826 0.2486528 -1.7485029 -0.0016613 -0.4155969 -0.0247113 -2.4449501 58 O -1.5556593 -0.1104015 -0.3894826 -0.2486528 -1.7485029 0.0016613 -0.4155969 0.0247113 -2.4449501 59 O -1.5556593 0.1104015 -0.3894826 0.2486528 -1.7485029 -0.0016613 -0.4155969 -0.0247113 -2.4449501 60 O -1.5556593 -0.1104015 -0.3894826 -0.2486528 -1.7485029 0.0016613 -0.4155969 0.0247113 -2.4449501 61 Pr 4.0223305 -0.2114357 0.0335768 0.1243666 3.9018803 -0.0786773 -0.1343812 -0.1910530 4.1010881 62 Pr 4.0223305 0.2114357 0.0335768 -0.1243666 3.9018803 0.0786773 -0.1343812 0.1910530 4.1010881 63 Pr 4.0223305 -0.2114357 0.0335768 0.1243666 3.9018803 -0.0786773 -0.1343812 -0.1910530 4.1010881 64 Pr 4.0223305 0.2114357 0.0335768 -0.1243666 3.9018803 0.0786773 -0.1343812 0.1910530 4.1010881 65 Pr 3.9444119 0.1393147 -0.0625333 -0.1936161 4.1805640 -0.1866167 0.1217343 -0.1721852 4.1396444 66 Pr 3.9444119 -0.1393147 -0.0625333 0.1936161 4.1805640 0.1866167 0.1217343 0.1721852 4.1396444 67 Pr 3.9444119 0.1393147 -0.0625333 -0.1936161 4.1805640 -0.1866167 0.1217343 -0.1721852 4.1396444 68 Pr 3.9444119 -0.1393147 -0.0625333 0.1936161 4.1805640 0.1866167 0.1217343 0.1721852 4.1396444 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (xxx) -0.00000000 (xxx) -0.00000000 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.47, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 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 1.745 ( 0.000 0.000 0.000) 0.000 2.005 ( 0.000 0.000 0.000) 0.000 2.170 ( 0.000 0.000 0.000) 0.000 2.293 ( 0.000 0.000 0.000) 0.000 2.468 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.756 ( 0.000 0.000 0.000) 0.000 2.796 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.234 ( 0.000 0.000 0.000) 0.000 3.468 ( 0.000 0.000 0.000) 0.000 3.521 ( 0.000 0.000 0.000) 0.000 3.608 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.753 ( 0.000 0.000 0.000) 0.000 3.803 ( 0.000 0.000 0.000) 0.000 3.874 ( 0.000 0.000 0.000) 0.000 3.888 ( 0.000 0.000 0.000) 0.000 3.950 ( 0.000 0.000 0.000) 0.000 3.976 ( 0.000 0.000 0.000) 0.000 4.023 ( 0.000 0.000 0.000) 0.000 4.127 ( 0.000 0.000 0.000) 0.000 4.411 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.529 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.712 ( 0.000 0.000 0.000) 0.000 4.826 ( 0.000 0.000 0.000) 0.000 4.923 ( 0.000 0.000 0.000) 0.000 4.963 ( 0.000 0.000 0.000) 0.000 5.045 ( 0.000 0.000 0.000) 0.000 5.252 ( 0.000 0.000 0.000) 0.000 5.270 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.521 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.621 ( 0.000 0.000 0.000) 0.000 5.663 ( 0.000 0.000 0.000) 0.000 5.678 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 5.948 ( 0.000 0.000 0.000) 0.000 6.139 ( 0.000 0.000 0.000) 0.000 6.153 ( 0.000 0.000 0.000) 0.000 6.214 ( 0.000 0.000 0.000) 0.000 6.259 ( 0.000 0.000 0.000) 0.000 6.268 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.440 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 6.763 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 6.951 ( 0.000 0.000 0.000) 0.000 6.962 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.278 ( 0.000 0.000 0.000) 0.000 7.288 ( 0.000 0.000 0.000) 0.000 7.355 ( 0.000 0.000 0.000) 0.000 7.356 ( 0.000 0.000 0.000) 0.000 7.390 ( 0.000 0.000 0.000) 0.000 7.429 ( 0.000 0.000 0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.525 ( 0.000 0.000 0.000) 0.000 7.621 ( 0.000 0.000 0.000) 0.000 7.667 ( 0.000 0.000 0.000) 0.000 7.678 ( 0.000 0.000 0.000) 0.000 7.699 ( 0.000 0.000 0.000) 0.000 7.778 ( 0.000 0.000 0.000) 0.000 7.940 ( 0.000 0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 8.132 ( 0.000 0.000 0.000) 0.000 8.216 ( 0.000 0.000 0.000) 0.000 8.249 ( 0.000 0.000 0.000) 0.000 8.294 ( 0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 0.000) 0.000 8.470 ( 0.000 0.000 0.000) 0.000 8.531 ( 0.000 0.000 0.000) 0.000 8.683 ( 0.000 0.000 0.000) 0.000 8.688 ( 0.000 0.000 0.000) 0.000 8.697 ( 0.000 0.000 0.000) 0.000 8.879 ( 0.000 0.000 0.000) 0.000 8.890 ( 0.000 0.000 0.000) 0.000 9.062 ( 0.000 0.000 0.000) 0.000 9.103 ( 0.000 0.000 0.000) 0.000 9.161 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.346 ( 0.000 0.000 0.000) 0.000 9.362 ( 0.000 0.000 0.000) 0.000 9.452 ( 0.000 0.000 0.000) 0.000 9.542 ( 0.000 0.000 0.000) 0.000 9.593 ( 0.000 0.000 0.000) 0.000 9.609 ( 0.000 0.000 0.000) 0.000 9.630 ( 0.000 0.000 0.000) 0.000 9.791 ( 0.000 0.000 0.000) 0.000 9.845 ( 0.000 0.000 0.000) 0.000 9.856 ( 0.000 0.000 0.000) 0.000 9.877 ( 0.000 0.000 0.000) 0.000 9.971 ( 0.000 0.000 0.000) 0.000 10.148 ( 0.000 0.000 0.000) 0.000 10.329 ( 0.000 0.000 0.000) 0.000 10.387 ( 0.000 0.000 0.000) 0.000 10.688 ( 0.000 0.000 0.000) 0.000 10.851 ( 0.000 0.000 0.000) 0.000 11.107 ( 0.000 0.000 0.000) 0.000 11.117 ( 0.000 0.000 0.000) 0.000 11.176 ( 0.000 0.000 0.000) 0.000 11.268 ( 0.000 0.000 0.000) 0.000 11.310 ( 0.000 0.000 0.000) 0.000 11.387 ( 0.000 0.000 0.000) 0.000 11.667 ( 0.000 0.000 0.000) 0.000 11.982 ( 0.000 0.000 0.000) 0.000 12.016 ( 0.000 0.000 0.000) 0.000 12.059 ( 0.000 0.000 0.000) 0.000 12.353 ( 0.000 0.000 0.000) 0.000 12.482 ( 0.000 0.000 0.000) 0.000 12.725 ( 0.000 0.000 0.000) 0.000 13.580 ( 0.000 0.000 0.000) 0.000 14.281 ( 0.000 0.000 0.000) 0.000 14.329 ( 0.000 0.000 0.000) 0.000 14.477 ( 0.000 0.000 0.000) 0.000 14.489 ( 0.000 0.000 0.000) 0.000 14.489 ( 0.000 0.000 0.000) 0.000 14.719 ( 0.000 0.000 0.000) 0.000 14.833 ( 0.000 0.000 0.000) 0.000 16.060 ( 0.000 0.000 0.000) 0.000 16.141 ( 0.000 0.000 0.000) 0.000 16.541 ( 0.000 0.000 0.000) 0.000 16.593 ( 0.000 0.000 0.000) 0.000 16.970 ( 0.000 0.000 0.000) 0.000 17.021 ( 0.000 0.000 0.000) 0.000 17.188 ( 0.000 0.000 0.000) 0.000 17.298 ( 0.000 0.000 0.000) 0.000 17.309 ( 0.000 0.000 0.000) 0.000 17.325 ( 0.000 0.000 0.000) 0.000 17.430 ( 0.000 0.000 0.000) 0.000 17.440 ( 0.000 0.000 0.000) 0.000 17.632 ( 0.000 0.000 0.000) 0.000 17.682 ( 0.000 0.000 0.000) 0.000 17.718 ( 0.000 0.000 0.000) 0.000 17.766 ( 0.000 0.000 0.000) 0.000 17.879 ( 0.000 0.000 0.000) 0.000 17.921 ( 0.000 0.000 0.000) 0.000 17.975 ( 0.000 0.000 0.000) 0.000 18.012 ( 0.000 0.000 0.000) 0.000 18.053 ( 0.000 0.000 0.000) 0.000 18.210 ( 0.000 0.000 0.000) 0.000 18.212 ( 0.000 0.000 0.000) 0.000 18.347 ( 0.000 0.000 0.000) 0.000 18.412 ( 0.000 0.000 0.000) 0.000 18.578 ( 0.000 0.000 0.000) 0.000 18.661 ( 0.000 0.000 0.000) 0.000 18.756 ( 0.000 0.000 0.000) 0.000 20.122 ( 0.000 0.000 0.000) 0.000 20.122 ( 0.000 0.000 0.000) 0.000 20.145 ( 0.000 0.000 0.000) 0.000 20.146 ( 0.000 0.000 0.000) 0.000 20.151 ( 0.000 0.000 0.000) 0.000 20.152 ( 0.000 0.000 0.000) 0.000 22.103 ( 0.000 0.000 0.000) 0.000 22.131 ( 0.000 0.000 0.000) 0.000 22.146 ( 0.000 0.000 0.000) 0.000 22.151 ( 0.000 0.000 0.000) 0.000 22.155 ( 0.000 0.000 0.000) 0.000 22.164 ( 0.000 0.000 0.000) 0.000 26.899 ( 0.000 0.000 0.000) 0.000 26.931 ( 0.000 0.000 0.000) 0.000 27.021 ( 0.000 0.000 0.000) 0.000 27.031 ( 0.000 0.000 0.000) 0.000 27.432 ( 0.000 0.000 0.000) 0.000 27.521 ( 0.000 0.000 0.000) 0.000 27.561 ( 0.000 0.000 0.000) 0.000 27.569 ( 0.000 0.000 0.000) 0.000 27.680 ( 0.000 0.000 0.000) 0.000 27.768 ( 0.000 0.000 0.000) 0.000 27.892 ( 0.000 0.000 0.000) 0.000 27.919 ( 0.000 0.000 0.000) 0.000 36.530 ( 0.000 0.000 0.000) 0.000 36.833 ( 0.000 0.000 0.000) 0.000 36.839 ( 0.000 0.000 0.000) 0.000 36.882 ( 0.000 0.000 0.000) 0.000 36.921 ( 0.000 0.000 0.000) 0.000 36.959 ( 0.000 0.000 0.000) 0.000 37.054 ( 0.000 0.000 0.000) 0.000 37.088 ( 0.000 0.000 0.000) 0.000 37.271 ( 0.000 0.000 0.000) 0.000 37.432 ( 0.000 0.000 0.000) 0.000 37.673 ( 0.000 0.000 0.000) 0.000 37.794 ( 0.000 0.000 0.000) 0.000 37.815 ( 0.000 0.000 0.000) 0.000 37.889 ( 0.000 0.000 0.000) 0.000 38.005 ( 0.000 0.000 0.000) 0.000 38.111 ( 0.000 0.000 0.000) 0.000 38.448 ( 0.000 0.000 0.000) 0.000 39.279 ( 0.000 0.000 0.000) 0.000 39.578 ( 0.000 0.000 0.000) 0.000 39.629 ( 0.000 0.000 0.000) 0.000 39.699 ( 0.000 0.000 0.000) 0.000 40.742 ( 0.000 0.000 0.000) 0.000 40.772 ( 0.000 0.000 0.000) 0.000 40.955 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 21.339 0.000 28.095) 35.280 0.663 ( 27.604 0.000 12.127) 30.150 1.130 ( 47.384 0.000 20.396) 51.587 1.778 ( 4.566 0.000 -2.384) 5.151 2.051 ( 3.120 0.000 4.109) 5.160 2.134 ( -1.671 0.000 -6.320) 6.537 2.466 ( -3.506 0.000 3.352) 4.851 2.513 ( 4.143 0.000 -0.539) 4.178 2.678 ( -7.099 0.000 -2.382) 7.488 2.689 ( 0.419 0.000 -5.159) 5.176 2.760 ( 1.704 0.000 -1.432) 2.226 3.047 ( -2.570 0.000 2.139) 3.344 3.156 ( -1.086 0.000 -1.956) 2.237 3.312 ( -8.495 0.000 -2.704) 8.915 3.389 ( -6.712 0.000 5.429) 8.632 3.445 ( -8.990 0.000 -2.075) 9.227 3.645 ( -6.861 0.000 4.645) 8.286 3.647 ( -6.865 0.000 -1.912) 7.126 3.750 ( -0.779 0.000 -3.962) 4.038 3.839 ( 3.113 0.000 -0.207) 3.120 3.933 ( 6.726 0.000 1.735) 6.947 4.043 ( 7.311 0.000 -1.451) 7.453 4.092 ( -4.062 0.000 5.370) 6.734 4.127 ( 8.390 0.000 -2.706) 8.816 4.140 ( 19.110 0.000 -1.608) 19.177 4.241 ( 4.833 0.000 1.613) 5.095 4.439 ( -0.704 0.000 0.596) 0.922 4.472 ( 6.038 0.000 1.644) 6.258 4.518 ( 1.251 0.000 -1.325) 1.822 4.598 ( 6.014 0.000 -3.807) 7.117 4.683 ( 2.988 0.000 -7.691) 8.251 4.800 ( -1.613 0.000 -2.599) 3.059 4.850 ( 6.721 0.000 -6.530) 9.371 4.979 ( 2.592 0.000 2.945) 3.923 5.019 ( 5.876 0.000 2.179) 6.267 5.093 ( 5.037 0.000 -3.510) 6.139 5.294 ( 2.864 0.000 2.208) 3.617 5.409 ( 4.324 0.000 2.707) 5.101 5.531 ( 0.040 0.000 -2.608) 2.609 5.537 ( 2.733 0.000 0.823) 2.854 5.665 ( 2.115 0.000 -4.247) 4.744 5.705 ( 6.961 0.000 4.404) 8.238 5.728 ( 1.520 0.000 7.640) 7.790 5.841 ( -3.118 0.000 1.757) 3.579 5.945 ( 8.604 0.000 -23.201) 24.745 5.970 ( 5.982 0.000 -4.550) 7.516 6.037 ( -4.267 0.000 0.598) 4.309 6.260 ( 7.926 0.000 -1.191) 8.015 6.308 ( 2.548 0.000 0.034) 2.548 6.352 ( 2.072 0.000 0.410) 2.112 6.380 ( 5.774 0.000 -0.862) 5.838 6.511 ( 4.555 0.000 3.947) 6.027 6.511 ( 12.914 0.000 1.054) 12.957 6.540 ( -0.790 0.000 0.999) 1.273 6.829 ( -1.441 0.000 0.707) 1.605 6.830 ( -3.366 0.000 1.347) 3.625 7.007 ( 1.184 0.000 -0.977) 1.535 7.048 ( 10.110 0.000 2.708) 10.466 7.085 ( 1.876 0.000 0.225) 1.889 7.269 ( -1.919 0.000 0.324) 1.946 7.283 ( 1.093 0.000 -5.669) 5.774 7.300 ( 2.317 0.000 -0.028) 2.318 7.320 ( -0.993 0.000 -9.173) 9.227 7.400 ( -1.067 0.000 -12.212) 12.259 7.507 ( 4.394 0.000 -3.207) 5.440 7.574 ( 3.928 0.000 -6.909) 7.948 7.616 ( 4.372 0.000 7.065) 8.308 7.647 ( 2.518 0.000 -1.121) 2.756 7.659 ( 0.195 0.000 0.368) 0.417 7.747 ( 2.613 0.000 11.630) 11.920 7.796 ( 0.770 0.000 2.359) 2.482 7.831 ( -0.131 0.000 -3.587) 3.589 8.024 ( 4.159 0.000 -0.082) 4.160 8.148 ( 0.466 0.000 1.914) 1.969 8.223 ( -0.253 0.000 -1.115) 1.144 8.243 ( 2.358 0.000 -2.509) 3.443 8.245 ( 2.843 0.000 -5.901) 6.550 8.345 ( 4.449 0.000 2.681) 5.194 8.402 ( -3.088 0.000 -5.491) 6.299 8.543 ( 1.863 0.000 0.466) 1.920 8.639 ( -3.800 0.000 -1.586) 4.118 8.675 ( -0.977 0.000 -2.839) 3.002 8.680 ( 2.471 0.000 -0.448) 2.512 8.738 ( -3.856 0.000 9.506) 10.259 8.892 ( 1.018 0.000 5.108) 5.209 9.019 ( -2.520 0.000 -4.127) 4.835 9.071 ( 1.199 0.000 1.468) 1.896 9.085 ( -4.234 0.000 -2.932) 5.150 9.159 ( -5.151 0.000 -2.221) 5.610 9.243 ( 1.062 0.000 2.147) 2.396 9.314 ( -2.258 0.000 -3.830) 4.446 9.325 ( -2.066 0.000 -1.110) 2.345 9.422 ( -4.364 0.000 -6.117) 7.515 9.462 ( -3.083 0.000 -0.137) 3.086 9.579 ( -2.768 0.000 1.867) 3.339 9.624 ( -0.980 0.000 1.005) 1.403 9.782 ( -5.456 0.000 -4.052) 6.796 9.811 ( -3.489 0.000 8.436) 9.129 9.851 ( 0.047 0.000 -0.798) 0.799 9.895 ( 1.488 0.000 3.830) 4.109 9.904 ( -0.343 0.000 -11.394) 11.399 9.989 ( -1.759 0.000 5.105) 5.400 10.175 ( 3.612 0.000 -1.036) 3.758 10.401 ( 2.509 0.000 8.015) 8.398 10.472 ( -2.084 0.000 -7.456) 7.742 10.598 ( -5.090 0.000 -5.058) 7.175 10.818 ( -20.027 0.000 18.554) 27.301 11.019 ( -9.984 0.000 1.462) 10.090 11.019 ( -10.666 0.000 2.464) 10.947 11.115 ( -7.461 0.000 3.894) 8.416 11.277 ( -4.668 0.000 2.090) 5.115 11.354 ( -1.362 0.000 -4.929) 5.113 11.469 ( 3.174 0.000 10.938) 11.389 11.655 ( -2.434 0.000 3.108) 3.947 11.788 ( -7.425 0.000 0.961) 7.487 12.254 ( -9.222 0.000 -2.556) 9.570 12.395 ( 16.185 0.000 7.217) 17.721 12.485 ( 1.052 0.000 -1.697) 1.997 12.692 ( -0.866 0.000 -5.166) 5.238 13.585 ( -8.297 0.000 15.521) 17.599 13.595 ( 1.347 0.000 -0.054) 1.348 14.251 ( -4.361 0.000 2.383) 4.969 14.305 ( -5.431 0.000 1.957) 5.773 14.361 ( -7.083 0.000 -5.274) 8.831 14.423 ( -3.384 0.000 -2.073) 3.969 14.500 ( -0.554 0.000 3.082) 3.131 14.742 ( 0.343 0.000 0.618) 0.707 14.873 ( 2.048 0.000 -2.119) 2.947 16.084 ( -0.108 0.000 4.593) 4.594 16.148 ( 1.585 0.000 -2.239) 2.743 16.539 ( 1.265 0.000 -1.663) 2.090 16.629 ( 2.535 0.000 0.616) 2.608 16.984 ( 2.300 0.000 -2.384) 3.313 17.018 ( -0.808 0.000 1.305) 1.535 17.192 ( 1.051 0.000 -1.606) 1.920 17.225 ( -1.355 0.000 -10.405) 10.493 17.309 ( -0.014 0.000 1.710) 1.710 17.319 ( -0.666 0.000 0.477) 0.819 17.456 ( 0.494 0.000 2.104) 2.162 17.473 ( 0.716 0.000 4.229) 4.289 17.617 ( 1.347 0.000 -5.261) 5.431 17.672 ( -2.066 0.000 1.059) 2.322 17.749 ( -0.565 0.000 1.925) 2.006 17.769 ( 0.238 0.000 5.693) 5.698 17.853 ( -0.084 0.000 -4.953) 4.954 17.910 ( -0.671 0.000 -1.409) 1.561 17.947 ( -3.715 0.000 -4.691) 5.984 17.969 ( -1.588 0.000 2.728) 3.157 18.094 ( 1.390 0.000 5.881) 6.043 18.207 ( -1.072 0.000 1.350) 1.724 18.267 ( 1.844 0.000 5.526) 5.825 18.343 ( 0.035 0.000 -0.955) 0.956 18.405 ( -0.863 0.000 0.205) 0.887 18.543 ( -3.546 0.000 1.198) 3.743 18.666 ( 0.512 0.000 0.082) 0.518 18.751 ( -1.071 0.000 0.814) 1.345 20.233 ( 9.709 0.000 0.006) 9.709 20.237 ( 10.649 0.000 0.052) 10.649 20.248 ( 10.030 0.000 0.953) 10.075 20.296 ( 13.697 0.000 -0.158) 13.698 20.299 ( 14.962 0.000 -0.882) 14.988 21.591 ( 26.990 0.000 -61.937) 67.562 22.080 ( -2.808 0.000 0.885) 2.944 22.104 ( -2.575 0.000 -0.848) 2.711 22.116 ( -3.671 0.000 1.468) 3.954 22.127 ( -2.901 0.000 0.362) 2.924 22.147 ( -0.550 0.000 -3.940) 3.978 22.157 ( -0.744 0.000 -1.561) 1.730 26.901 ( 0.279 0.000 -0.171) 0.328 26.936 ( 0.183 0.000 0.755) 0.777 27.024 ( 0.302 0.000 0.076) 0.311 27.033 ( 0.382 0.000 -0.422) 0.569 27.430 ( -0.473 0.000 0.195) 0.512 27.516 ( -0.461 0.000 -0.353) 0.581 27.551 ( -0.882 0.000 -0.273) 0.923 27.557 ( -1.002 0.000 0.015) 1.002 27.692 ( 0.872 0.000 0.517) 1.014 27.763 ( -0.384 0.000 -0.251) 0.459 27.881 ( -1.111 0.000 -0.078) 1.114 27.902 ( -1.823 0.000 0.348) 1.856 36.562 ( 3.119 0.000 0.107) 3.120 36.834 ( 3.281 0.000 -6.465) 7.250 36.880 ( 3.172 0.000 2.306) 3.921 36.938 ( 1.316 0.000 8.029) 8.136 36.943 ( 0.483 0.000 2.455) 2.502 36.981 ( 1.761 0.000 3.097) 3.563 37.098 ( 0.504 0.000 1.683) 1.757 37.198 ( -5.722 0.000 17.260) 18.184 37.306 ( 3.732 0.000 -0.476) 3.763 37.469 ( 3.254 0.000 0.782) 3.346 37.661 ( -2.667 0.000 3.961) 4.775 37.831 ( 1.369 0.000 1.074) 1.740 37.918 ( -0.497 0.000 8.790) 8.804 37.935 ( 4.474 0.000 0.820) 4.548 38.131 ( 3.578 0.000 -2.714) 4.491 38.413 ( -1.405 0.000 -4.701) 4.907 38.506 ( -36.993 0.000 85.283) 92.961 39.107 ( -9.605 0.000 -13.504) 16.572 39.456 ( -6.533 0.000 -15.526) 16.845 39.593 ( -5.882 0.000 12.525) 13.837 39.734 ( -6.418 0.000 13.191) 14.669 40.613 ( -17.707 0.000 5.591) 18.569 40.628 ( -15.088 0.000 0.393) 15.093 40.726 ( -20.623 0.000 -3.377) 20.898 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.230 ( 22.341 0.000 6.839) 23.365 1.275 ( 20.802 0.000 24.974) 32.503 1.918 ( 10.830 0.000 4.049) 11.562 2.038 ( 11.400 0.000 -9.876) 15.083 2.114 ( 24.861 0.000 15.973) 29.550 2.190 ( 7.014 0.000 5.092) 8.667 2.466 ( 0.570 0.000 5.054) 5.086 2.510 ( -8.039 0.000 2.834) 8.524 2.628 ( 6.415 0.000 -5.199) 8.257 2.638 ( 1.007 0.000 -9.597) 9.650 2.790 ( 1.471 0.000 0.825) 1.687 2.961 ( -8.541 0.000 5.150) 9.974 3.081 ( -4.839 0.000 -1.628) 5.105 3.222 ( -13.487 0.000 7.835) 15.598 3.227 ( 5.540 0.000 -6.113) 8.250 3.309 ( -4.075 0.000 -1.403) 4.310 3.484 ( -8.335 0.000 -2.126) 8.602 3.651 ( 2.812 0.000 0.412) 2.842 3.723 ( 0.621 0.000 -3.064) 3.126 3.856 ( 1.117 0.000 -4.700) 4.831 3.977 ( -6.721 0.000 -0.415) 6.734 4.040 ( -4.441 0.000 -2.838) 5.270 4.078 ( 0.164 0.000 3.441) 3.444 4.251 ( 5.676 0.000 -0.582) 5.706 4.302 ( 5.703 0.000 2.617) 6.275 4.491 ( 4.165 0.000 -2.958) 5.108 4.500 ( 15.838 0.000 -0.813) 15.859 4.564 ( 1.577 0.000 -4.941) 5.187 4.609 ( 4.582 0.000 -2.462) 5.201 4.674 ( 7.098 0.000 -6.101) 9.359 4.745 ( 1.979 0.000 -0.916) 2.181 4.782 ( 7.871 0.000 4.532) 9.082 4.944 ( 6.862 0.000 -0.645) 6.892 5.086 ( 5.102 0.000 4.893) 7.069 5.161 ( 5.232 0.000 -2.361) 5.740 5.166 ( 7.022 0.000 1.242) 7.131 5.295 ( 0.540 0.000 -8.991) 9.008 5.520 ( 3.686 0.000 3.294) 4.943 5.572 ( -0.671 0.000 3.018) 3.092 5.620 ( 4.826 0.000 4.488) 6.591 5.681 ( 4.604 0.000 -7.923) 9.164 5.811 ( 2.249 0.000 8.008) 8.318 5.839 ( -0.240 0.000 7.457) 7.461 5.864 ( 3.057 0.000 -10.168) 10.618 5.981 ( 12.059 0.000 -2.839) 12.388 5.991 ( -2.093 0.000 2.408) 3.190 6.158 ( 12.940 0.000 0.942) 12.975 6.228 ( -1.486 0.000 -7.163) 7.315 6.317 ( 1.591 0.000 -2.503) 2.966 6.468 ( 6.134 0.000 -2.220) 6.524 6.519 ( 11.012 0.000 4.064) 11.738 6.595 ( -0.257 0.000 -4.098) 4.106 6.703 ( 12.685 0.000 0.117) 12.685 6.721 ( -1.504 0.000 6.424) 6.597 6.869 ( 8.823 0.000 4.827) 10.057 6.873 ( 7.630 0.000 6.064) 9.746 7.029 ( 7.706 0.000 -6.374) 10.000 7.131 ( 0.158 0.000 -2.815) 2.819 7.189 ( -1.690 0.000 2.701) 3.186 7.222 ( -2.037 0.000 -11.173) 11.357 7.259 ( 3.436 0.000 -5.783) 6.727 7.303 ( 2.984 0.000 -1.295) 3.253 7.346 ( 8.261 0.000 -0.770) 8.297 7.451 ( 9.467 0.000 3.416) 10.065 7.540 ( -0.055 0.000 0.409) 0.413 7.560 ( 3.979 0.000 -1.161) 4.145 7.727 ( 8.280 0.000 -3.668) 9.056 7.753 ( 4.074 0.000 4.787) 6.286 7.771 ( -2.724 0.000 -1.359) 3.044 7.778 ( 5.554 0.000 7.329) 9.196 7.856 ( 4.199 0.000 0.259) 4.207 7.877 ( 1.712 0.000 8.374) 8.547 8.082 ( 3.040 0.000 -3.112) 4.350 8.147 ( -1.662 0.000 -0.714) 1.809 8.159 ( 1.016 0.000 -10.163) 10.213 8.275 ( -0.361 0.000 -5.087) 5.100 8.328 ( 2.984 0.000 -0.899) 3.116 8.330 ( 4.424 0.000 3.736) 5.790 8.446 ( 2.287 0.000 1.651) 2.821 8.542 ( -3.457 0.000 -2.122) 4.056 8.586 ( 2.082 0.000 -0.395) 2.119 8.626 ( -2.318 0.000 -2.023) 3.076 8.683 ( -0.127 0.000 -1.280) 1.286 8.744 ( -1.276 0.000 2.305) 2.635 8.903 ( -4.717 0.000 -2.749) 5.459 8.984 ( -4.681 0.000 -0.870) 4.761 8.988 ( -7.156 0.000 -6.823) 9.887 9.008 ( 3.612 0.000 5.392) 6.490 9.096 ( -0.125 0.000 2.926) 2.929 9.203 ( -6.212 0.000 -6.417) 8.931 9.236 ( -5.531 0.000 -0.595) 5.563 9.258 ( -5.476 0.000 -1.919) 5.802 9.305 ( 4.216 0.000 -0.659) 4.267 9.391 ( -5.011 0.000 -1.151) 5.142 9.516 ( -5.010 0.000 2.251) 5.493 9.605 ( -1.940 0.000 0.337) 1.969 9.628 ( -6.159 0.000 -3.777) 7.225 9.755 ( -6.510 0.000 -6.059) 8.893 9.810 ( -4.148 0.000 9.392) 10.267 9.853 ( -0.778 0.000 0.028) 0.779 9.905 ( -3.667 0.000 3.123) 4.816 9.989 ( -2.020 0.000 3.031) 3.642 10.259 ( 3.354 0.000 0.566) 3.401 10.274 ( -11.509 0.000 -2.407) 11.758 10.466 ( -8.700 0.000 -0.816) 8.738 10.494 ( 0.427 0.000 3.863) 3.887 10.574 ( -12.039 0.000 2.077) 12.217 10.791 ( -13.269 0.000 0.298) 13.272 10.796 ( -10.936 0.000 -1.547) 11.044 10.992 ( -8.321 0.000 6.722) 10.697 11.132 ( -10.787 0.000 2.355) 11.041 11.266 ( -1.503 0.000 -7.941) 8.082 11.609 ( 2.620 0.000 6.762) 7.252 11.623 ( -4.842 0.000 5.554) 7.368 11.768 ( 0.891 0.000 8.203) 8.251 11.971 ( -16.152 0.000 -4.371) 16.733 12.496 ( 1.798 0.000 -2.360) 2.967 12.620 ( -0.928 0.000 -7.438) 7.496 12.723 ( 10.735 0.000 5.820) 12.211 13.524 ( -7.330 0.000 6.354) 9.701 13.622 ( 1.560 0.000 -0.709) 1.714 14.061 ( -12.187 0.000 -3.301) 12.626 14.161 ( -6.714 0.000 4.266) 7.955 14.328 ( 2.932 0.000 -4.895) 5.706 14.353 ( -2.007 0.000 -1.932) 2.785 14.513 ( -1.115 0.000 3.494) 3.667 14.730 ( -1.049 0.000 -0.820) 1.332 14.893 ( -0.082 0.000 1.338) 1.340 16.127 ( 1.447 0.000 2.379) 2.784 16.162 ( 2.055 0.000 -2.865) 3.525 16.571 ( 3.320 0.000 -1.778) 3.766 16.679 ( 2.185 0.000 -0.223) 2.196 17.002 ( 1.907 0.000 -3.414) 3.910 17.033 ( 0.970 0.000 1.863) 2.100 17.134 ( 0.315 0.000 -7.940) 7.946 17.201 ( 1.507 0.000 -2.368) 2.807 17.308 ( -1.092 0.000 0.743) 1.321 17.323 ( -0.339 0.000 1.607) 1.642 17.485 ( 0.496 0.000 2.472) 2.521 17.498 ( -0.213 0.000 0.538) 0.578 17.614 ( 2.053 0.000 -3.238) 3.834 17.643 ( -1.505 0.000 0.965) 1.788 17.738 ( -0.216 0.000 -0.185) 0.284 17.791 ( -2.730 0.000 -5.011) 5.707 17.844 ( -1.796 0.000 -5.020) 5.331 17.849 ( 0.467 0.000 6.766) 6.782 17.876 ( -0.824 0.000 0.032) 0.825 17.963 ( -1.788 0.000 3.827) 4.224 18.175 ( 1.446 0.000 6.467) 6.626 18.186 ( -2.233 0.000 1.257) 2.563 18.335 ( 0.594 0.000 -2.467) 2.537 18.342 ( 1.269 0.000 4.818) 4.982 18.378 ( -1.911 0.000 -0.397) 1.952 18.486 ( -3.412 0.000 2.421) 4.183 18.679 ( 0.718 0.000 0.064) 0.721 18.737 ( -1.223 0.000 1.476) 1.917 20.497 ( 16.659 0.000 0.916) 16.684 20.499 ( 16.226 0.000 0.642) 16.239 20.548 ( 18.019 0.000 2.616) 18.208 20.626 ( 19.844 0.000 -1.478) 19.899 20.643 ( 20.537 0.000 -2.329) 20.669 21.611 ( 14.134 0.000 -29.911) 33.082 22.007 ( -5.849 0.000 1.675) 6.084 22.012 ( -6.107 0.000 -1.311) 6.246 22.037 ( -6.100 0.000 1.994) 6.418 22.048 ( -5.603 0.000 -0.203) 5.607 22.081 ( -3.769 0.000 -1.399) 4.020 22.099 ( -3.547 0.000 -2.908) 4.587 26.908 ( 0.467 0.000 0.125) 0.484 26.946 ( 0.111 0.000 0.740) 0.748 27.033 ( 0.435 0.000 0.170) 0.467 27.038 ( 0.556 0.000 -0.646) 0.852 27.423 ( -0.465 0.000 0.607) 0.765 27.498 ( -0.961 0.000 -0.496) 1.081 27.525 ( -1.393 0.000 -0.437) 1.460 27.538 ( -0.846 0.000 -0.088) 0.851 27.717 ( 1.119 0.000 0.604) 1.271 27.751 ( -0.499 0.000 -0.375) 0.625 27.850 ( -1.868 0.000 -0.134) 1.873 27.862 ( -2.485 0.000 0.659) 2.571 36.645 ( 5.520 0.000 -0.741) 5.569 36.860 ( 4.756 0.000 -6.534) 8.081 36.961 ( -1.441 0.000 4.905) 5.112 36.990 ( 4.798 0.000 3.598) 5.997 37.041 ( 1.799 0.000 8.895) 9.075 37.102 ( 7.043 0.000 5.983) 9.241 37.139 ( 1.585 0.000 2.998) 3.391 37.238 ( -0.691 0.000 7.834) 7.865 37.400 ( 6.236 0.000 -0.731) 6.278 37.561 ( 5.433 0.000 0.996) 5.524 37.644 ( -2.325 0.000 3.809) 4.463 37.886 ( 2.537 0.000 3.111) 4.014 37.996 ( 3.293 0.000 3.883) 5.091 38.080 ( 9.676 0.000 1.339) 9.768 38.216 ( 7.551 0.000 -3.178) 8.192 38.330 ( -1.369 0.000 -7.688) 7.809 38.477 ( -16.524 0.000 32.843) 36.766 38.759 ( -14.899 0.000 -9.782) 17.823 39.166 ( -9.903 0.000 -15.265) 18.196 39.520 ( -11.742 0.000 11.218) 16.239 39.644 ( -12.735 0.000 10.401) 16.443 40.169 ( -31.014 0.000 0.151) 31.014 40.238 ( -24.700 0.000 -5.183) 25.237 40.238 ( -24.351 0.000 5.761) 25.023 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 19.090 0.000 6.013) 20.014 1.843 ( 18.467 0.000 19.331) 26.735 2.101 ( 8.874 0.000 -6.474) 10.984 2.253 ( 13.164 0.000 9.124) 16.017 2.358 ( -0.481 0.000 1.697) 1.764 2.393 ( 5.296 0.000 0.276) 5.303 2.402 ( -2.487 0.000 3.631) 4.401 2.560 ( 3.546 0.000 -6.406) 7.322 2.658 ( -0.278 0.000 -6.296) 6.302 2.737 ( 4.155 0.000 8.105) 9.108 2.822 ( -0.881 0.000 4.112) 4.206 2.893 ( -1.504 0.000 5.195) 5.409 2.944 ( -9.068 0.000 2.300) 9.355 3.157 ( 6.120 0.000 2.598) 6.649 3.169 ( -8.961 0.000 -2.334) 9.260 3.329 ( -3.326 0.000 1.277) 3.562 3.442 ( 13.504 0.000 1.808) 13.624 3.615 ( -4.957 0.000 -7.813) 9.253 3.726 ( -15.434 0.000 0.877) 15.458 3.736 ( 3.617 0.000 1.740) 4.014 3.890 ( -7.739 0.000 -7.641) 10.875 3.907 ( 7.785 0.000 -4.823) 9.158 4.144 ( 2.364 0.000 2.460) 3.412 4.301 ( 0.055 0.000 1.029) 1.031 4.381 ( -8.364 0.000 -10.170) 13.167 4.482 ( 9.046 0.000 3.304) 9.631 4.551 ( 4.221 0.000 -7.399) 8.518 4.597 ( 0.192 0.000 0.815) 0.837 4.757 ( 10.094 0.000 -3.553) 10.701 4.757 ( 2.720 0.000 0.271) 2.734 4.892 ( 1.695 0.000 0.127) 1.699 4.892 ( 7.266 0.000 -0.089) 7.267 5.128 ( 8.904 0.000 2.046) 9.136 5.225 ( 5.005 0.000 3.404) 6.053 5.241 ( 4.075 0.000 -5.164) 6.578 5.290 ( 5.653 0.000 0.598) 5.685 5.333 ( 10.155 0.000 1.268) 10.234 5.584 ( -2.425 0.000 -2.615) 3.567 5.587 ( -1.579 0.000 3.531) 3.868 5.594 ( 1.016 0.000 -1.385) 1.718 5.734 ( 0.733 0.000 -2.871) 2.963 5.771 ( -2.174 0.000 -3.515) 4.133 5.922 ( 3.176 0.000 2.116) 3.816 5.954 ( 3.891 0.000 3.273) 5.085 5.997 ( 0.954 0.000 3.273) 3.409 6.108 ( 1.907 0.000 -4.281) 4.687 6.229 ( 8.661 0.000 0.436) 8.672 6.407 ( 4.265 0.000 7.999) 9.065 6.459 ( 11.143 0.000 0.440) 11.151 6.514 ( -1.820 0.000 0.509) 1.890 6.540 ( 1.387 0.000 -1.766) 2.245 6.747 ( 0.008 0.000 6.939) 6.939 6.797 ( 11.229 0.000 3.040) 11.633 6.870 ( 4.959 0.000 -9.351) 10.584 7.015 ( 0.351 0.000 -0.452) 0.572 7.033 ( 9.079 0.000 -3.624) 9.776 7.091 ( 2.776 0.000 -2.619) 3.816 7.178 ( 5.486 0.000 5.823) 8.000 7.208 ( 6.621 0.000 -5.028) 8.314 7.238 ( 3.480 0.000 5.121) 6.191 7.313 ( 9.850 0.000 -3.400) 10.420 7.318 ( 2.039 0.000 -2.942) 3.580 7.513 ( 6.041 0.000 0.681) 6.079 7.600 ( 4.120 0.000 1.416) 4.356 7.625 ( 2.681 0.000 6.131) 6.692 7.720 ( 10.452 0.000 0.903) 10.491 7.721 ( 2.005 0.000 -0.821) 2.166 7.869 ( 4.790 0.000 1.777) 5.109 7.888 ( 4.988 0.000 3.519) 6.105 7.901 ( 5.083 0.000 -1.578) 5.323 7.963 ( 2.888 0.000 1.406) 3.212 7.966 ( 6.537 0.000 -1.693) 6.752 8.080 ( 0.146 0.000 -5.649) 5.651 8.091 ( 1.368 0.000 -6.474) 6.617 8.196 ( 9.440 0.000 0.775) 9.472 8.232 ( -1.011 0.000 -1.638) 1.924 8.366 ( -5.837 0.000 3.948) 7.047 8.394 ( 2.406 0.000 -1.821) 3.017 8.414 ( -3.087 0.000 -4.660) 5.590 8.522 ( -0.222 0.000 -0.499) 0.546 8.551 ( -2.504 0.000 1.029) 2.707 8.602 ( -2.100 0.000 3.229) 3.852 8.627 ( -2.553 0.000 -6.345) 6.839 8.730 ( -0.184 0.000 -0.592) 0.620 8.827 ( -5.421 0.000 -2.888) 6.142 8.831 ( -2.388 0.000 2.015) 3.125 8.861 ( -4.918 0.000 -3.244) 5.892 9.041 ( -4.529 0.000 -4.161) 6.151 9.045 ( -4.027 0.000 3.220) 5.156 9.144 ( 1.704 0.000 3.991) 4.340 9.155 ( -0.292 0.000 -0.357) 0.461 9.178 ( -5.776 0.000 -0.047) 5.776 9.260 ( -4.167 0.000 -1.709) 4.504 9.399 ( 5.370 0.000 -0.189) 5.373 9.440 ( -4.328 0.000 1.175) 4.484 9.514 ( -2.494 0.000 -0.785) 2.615 9.538 ( -4.537 0.000 -1.614) 4.816 9.583 ( -6.371 0.000 -2.945) 7.019 9.766 ( -7.686 0.000 -2.510) 8.086 9.778 ( -6.832 0.000 3.150) 7.523 9.846 ( -3.188 0.000 4.616) 5.610 9.932 ( -5.959 0.000 -0.067) 5.959 10.093 ( -6.935 0.000 1.671) 7.134 10.230 ( -7.177 0.000 0.898) 7.233 10.250 ( -10.892 0.000 4.372) 11.736 10.388 ( -9.161 0.000 -5.899) 10.896 10.416 ( -4.883 0.000 -2.108) 5.318 10.605 ( -5.207 0.000 -6.736) 8.514 10.668 ( -1.372 0.000 6.663) 6.802 10.929 ( -3.023 0.000 2.580) 3.974 10.952 ( -8.974 0.000 2.429) 9.297 11.197 ( -0.294 0.000 -3.582) 3.594 11.548 ( -5.993 0.000 0.350) 6.003 11.619 ( -15.606 0.000 -0.391) 15.611 11.686 ( 1.417 0.000 4.537) 4.753 11.907 ( 3.318 0.000 11.784) 12.242 12.516 ( 1.941 0.000 -1.784) 2.636 12.546 ( -0.653 0.000 -6.118) 6.153 12.854 ( 0.699 0.000 -1.580) 1.728 13.413 ( -7.450 0.000 2.046) 7.726 13.638 ( 0.724 0.000 -0.899) 1.154 13.894 ( -1.823 0.000 -1.027) 2.093 14.094 ( -3.420 0.000 3.791) 5.106 14.306 ( -1.526 0.000 -1.325) 2.021 14.342 ( 1.422 0.000 -3.689) 3.953 14.512 ( -1.509 0.000 2.687) 3.082 14.711 ( 0.279 0.000 -0.491) 0.565 14.885 ( -1.884 0.000 1.251) 2.261 16.168 ( 1.592 0.000 -0.457) 1.657 16.181 ( 1.346 0.000 -0.249) 1.369 16.627 ( 3.586 0.000 -1.479) 3.879 16.705 ( 1.060 0.000 -0.910) 1.397 17.015 ( 1.263 0.000 -0.950) 1.581 17.063 ( 1.148 0.000 -0.425) 1.224 17.115 ( 2.406 0.000 -3.302) 4.085 17.217 ( 1.964 0.000 -1.478) 2.458 17.290 ( -1.203 0.000 0.588) 1.339 17.310 ( -2.069 0.000 0.391) 2.106 17.488 ( -0.471 0.000 -0.332) 0.577 17.508 ( -0.361 0.000 1.954) 1.987 17.631 ( -0.917 0.000 1.554) 1.804 17.635 ( 2.211 0.000 -2.304) 3.193 17.692 ( -1.658 0.000 -5.867) 6.096 17.746 ( 0.144 0.000 2.098) 2.103 17.786 ( -1.660 0.000 -2.260) 2.804 17.820 ( -0.896 0.000 -3.171) 3.295 17.940 ( 1.298 0.000 1.831) 2.244 17.977 ( -1.125 0.000 9.399) 9.467 18.143 ( -2.821 0.000 0.807) 2.934 18.249 ( 1.394 0.000 4.696) 4.898 18.307 ( 0.040 0.000 -7.070) 7.071 18.344 ( -1.415 0.000 1.862) 2.339 18.390 ( 0.423 0.000 2.697) 2.730 18.457 ( -1.892 0.000 2.534) 3.162 18.693 ( 0.589 0.000 -0.028) 0.590 18.729 ( -0.838 0.000 1.400) 1.632 20.854 ( 18.978 0.000 1.335) 19.025 20.864 ( 19.392 0.000 1.866) 19.481 20.950 ( 19.557 0.000 4.682) 20.110 20.998 ( 19.659 0.000 -2.591) 19.829 21.012 ( 19.290 0.000 -3.200) 19.554 21.640 ( 8.023 0.000 -16.496) 18.343 21.843 ( -10.162 0.000 -1.837) 10.327 21.877 ( -9.169 0.000 1.879) 9.360 21.900 ( -7.928 0.000 -3.059) 8.498 21.911 ( -8.812 0.000 2.610) 9.191 21.964 ( -7.456 0.000 -4.593) 8.758 21.994 ( -5.306 0.000 2.246) 5.761 26.919 ( 0.450 0.000 0.395) 0.599 26.951 ( -0.096 0.000 0.321) 0.335 27.042 ( 0.467 0.000 -0.275) 0.542 27.043 ( 0.368 0.000 -0.117) 0.386 27.423 ( -0.032 0.000 0.557) 0.558 27.477 ( -0.624 0.000 -0.321) 0.702 27.494 ( -1.292 0.000 -0.391) 1.350 27.521 ( -0.777 0.000 -0.359) 0.856 27.740 ( -0.254 0.000 -0.415) 0.486 27.743 ( 1.151 0.000 0.346) 1.202 27.811 ( -1.923 0.000 -0.084) 1.925 27.823 ( -2.057 0.000 0.789) 2.203 36.753 ( 6.756 0.000 -2.325) 7.145 36.903 ( 4.467 0.000 -5.401) 7.009 36.962 ( -3.243 0.000 6.315) 7.099 37.101 ( 3.941 0.000 1.663) 4.277 37.137 ( 0.293 0.000 8.195) 8.200 37.190 ( 0.758 0.000 2.807) 2.908 37.317 ( 3.782 0.000 5.922) 7.027 37.349 ( 11.250 0.000 9.663) 14.830 37.517 ( 6.332 0.000 -2.352) 6.755 37.637 ( -1.345 0.000 3.963) 4.185 37.693 ( 7.042 0.000 0.772) 7.084 37.980 ( 3.655 0.000 5.018) 6.208 38.114 ( 6.395 0.000 -1.332) 6.532 38.250 ( -6.952 0.000 -9.478) 11.754 38.253 ( 1.162 0.000 -5.983) 6.094 38.328 ( 13.824 0.000 -0.091) 13.824 38.424 ( 5.907 0.000 -2.752) 6.517 38.503 ( -12.700 0.000 17.743) 21.820 38.848 ( -9.824 0.000 -13.625) 16.797 39.345 ( -13.349 0.000 7.412) 15.269 39.427 ( -16.559 0.000 6.698) 17.862 39.579 ( -28.693 0.000 0.638) 28.700 39.666 ( -27.485 0.000 -7.175) 28.406 39.817 ( -23.061 0.000 5.833) 23.787 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.083 ( 16.196 0.000 8.251) 18.177 2.223 ( 9.486 0.000 -4.441) 10.475 2.249 ( -1.807 0.000 -1.866) 2.598 2.273 ( 6.908 0.000 8.407) 10.881 2.352 ( -1.388 0.000 5.751) 5.916 2.441 ( -4.776 0.000 -3.663) 6.019 2.568 ( -0.649 0.000 -6.523) 6.555 2.595 ( 9.299 0.000 2.906) 9.743 2.631 ( 2.544 0.000 0.373) 2.571 2.740 ( -3.882 0.000 5.483) 6.718 2.804 ( -0.531 0.000 0.391) 0.660 2.832 ( -8.380 0.000 -4.111) 9.335 2.844 ( -3.997 0.000 2.995) 4.994 3.065 ( 1.648 0.000 5.046) 5.309 3.310 ( 4.342 0.000 0.066) 4.343 3.374 ( 4.735 0.000 4.225) 6.346 3.443 ( -4.359 0.000 -5.493) 7.012 3.463 ( -9.985 0.000 1.438) 10.088 3.636 ( -9.755 0.000 -9.408) 13.552 3.749 ( 12.782 0.000 4.966) 13.712 3.862 ( 5.757 0.000 2.560) 6.300 3.973 ( 0.429 0.000 -3.621) 3.647 4.109 ( -11.014 0.000 -6.771) 12.929 4.154 ( 0.256 0.000 -0.531) 0.589 4.355 ( 2.565 0.000 1.545) 2.995 4.584 ( 2.505 0.000 -2.520) 3.553 4.588 ( 0.107 0.000 -1.367) 1.371 4.674 ( 6.003 0.000 2.643) 6.559 4.780 ( -0.428 0.000 1.373) 1.438 4.852 ( 2.880 0.000 -3.013) 4.168 4.895 ( -0.331 0.000 -0.451) 0.559 4.958 ( 0.611 0.000 -0.203) 0.644 5.274 ( 5.841 0.000 -1.055) 5.936 5.284 ( 2.598 0.000 -1.834) 3.180 5.321 ( 3.562 0.000 0.563) 3.606 5.420 ( 3.358 0.000 5.167) 6.163 5.427 ( -5.938 0.000 1.461) 6.115 5.488 ( -1.479 0.000 -5.185) 5.392 5.583 ( -2.460 0.000 -2.030) 3.189 5.612 ( 5.306 0.000 1.439) 5.498 5.721 ( 1.071 0.000 0.466) 1.168 5.809 ( 3.625 0.000 4.123) 5.490 5.980 ( 1.029 0.000 -0.512) 1.149 5.992 ( 0.986 0.000 -1.754) 2.012 6.052 ( -2.336 0.000 -3.727) 4.398 6.069 ( 2.019 0.000 1.831) 2.725 6.449 ( -1.877 0.000 -3.414) 3.895 6.456 ( 8.139 0.000 3.702) 8.941 6.492 ( 0.072 0.000 10.475) 10.475 6.503 ( -0.368 0.000 0.282) 0.463 6.690 ( 4.717 0.000 2.657) 5.414 6.704 ( -5.721 0.000 -3.362) 6.636 6.839 ( 0.517 0.000 -3.591) 3.628 6.910 ( 1.934 0.000 -2.225) 2.948 7.014 ( 0.033 0.000 -0.685) 0.686 7.081 ( -0.782 0.000 -4.992) 5.053 7.288 ( 13.571 0.000 -0.025) 13.571 7.317 ( 3.495 0.000 3.156) 4.709 7.328 ( 10.095 0.000 2.950) 10.518 7.341 ( 3.377 0.000 -2.193) 4.027 7.346 ( 0.007 0.000 4.233) 4.233 7.520 ( 3.145 0.000 1.128) 3.341 7.553 ( -2.211 0.000 0.707) 2.321 7.661 ( 4.655 0.000 -1.371) 4.853 7.671 ( 2.468 0.000 3.472) 4.259 7.828 ( -8.415 0.000 0.992) 8.474 7.868 ( 3.293 0.000 3.217) 4.604 7.872 ( 3.584 0.000 0.257) 3.593 7.956 ( -0.721 0.000 -4.059) 4.122 7.969 ( 9.129 0.000 -7.186) 11.618 7.992 ( 1.448 0.000 -0.194) 1.461 8.056 ( 4.885 0.000 -2.180) 5.349 8.130 ( 3.524 0.000 -0.987) 3.660 8.140 ( 4.342 0.000 0.912) 4.436 8.164 ( -5.090 0.000 0.857) 5.162 8.252 ( 3.104 0.000 -5.823) 6.599 8.319 ( -3.173 0.000 1.982) 3.741 8.358 ( -4.080 0.000 -2.550) 4.811 8.386 ( 0.445 0.000 -2.794) 2.830 8.440 ( -7.878 0.000 5.094) 9.381 8.556 ( -1.143 0.000 -0.195) 1.159 8.587 ( -0.281 0.000 4.942) 4.950 8.625 ( 9.482 0.000 4.592) 10.535 8.692 ( -3.811 0.000 -3.284) 5.031 8.694 ( -2.939 0.000 -2.038) 3.577 8.845 ( 4.392 0.000 -1.285) 4.576 8.868 ( 2.723 0.000 1.992) 3.374 8.942 ( -4.971 0.000 -2.486) 5.558 8.964 ( -9.443 0.000 -3.036) 9.919 8.970 ( -5.402 0.000 2.578) 5.985 9.175 ( 1.109 0.000 -0.056) 1.111 9.230 ( 4.924 0.000 1.501) 5.148 9.262 ( 2.909 0.000 -2.188) 3.640 9.381 ( -2.474 0.000 0.708) 2.574 9.406 ( -6.110 0.000 -2.523) 6.611 9.440 ( -2.478 0.000 1.159) 2.735 9.514 ( 1.862 0.000 -0.030) 1.863 9.527 ( -0.806 0.000 1.492) 1.696 9.620 ( -8.575 0.000 0.842) 8.616 9.632 ( 1.962 0.000 -4.052) 4.502 9.782 ( -7.829 0.000 -0.859) 7.876 9.857 ( 0.452 0.000 2.190) 2.236 9.962 ( -5.771 0.000 1.537) 5.972 10.059 ( -6.989 0.000 -1.428) 7.134 10.188 ( -0.815 0.000 1.899) 2.066 10.244 ( -2.558 0.000 -0.041) 2.558 10.364 ( -0.934 0.000 1.849) 2.071 10.484 ( -1.622 0.000 -5.619) 5.849 10.701 ( -0.771 0.000 2.905) 3.005 10.844 ( -3.420 0.000 1.073) 3.584 10.904 ( 0.489 0.000 -1.840) 1.904 11.171 ( -1.892 0.000 0.009) 1.892 11.396 ( -1.934 0.000 -3.274) 3.802 11.466 ( -5.717 0.000 3.215) 6.559 11.741 ( 0.982 0.000 2.139) 2.354 12.041 ( 1.727 0.000 6.404) 6.633 12.502 ( -0.173 0.000 -2.372) 2.378 12.536 ( 0.860 0.000 -0.505) 0.997 12.788 ( -2.212 0.000 -3.887) 4.472 13.304 ( -3.588 0.000 0.249) 3.597 13.639 ( 0.117 0.000 -0.342) 0.362 13.931 ( 2.572 0.000 1.476) 2.965 14.080 ( -0.699 0.000 1.396) 1.561 14.276 ( -0.675 0.000 -0.468) 0.821 14.314 ( -1.002 0.000 -2.195) 2.413 14.504 ( -0.762 0.000 0.981) 1.242 14.738 ( 1.995 0.000 0.058) 1.996 14.846 ( -2.260 0.000 0.371) 2.290 16.182 ( 0.657 0.000 -0.853) 1.076 16.203 ( 0.459 0.000 0.605) 0.760 16.673 ( 1.730 0.000 -0.608) 1.834 16.709 ( 0.091 0.000 -0.510) 0.518 17.032 ( 0.616 0.000 0.286) 0.679 17.067 ( 0.161 0.000 -1.057) 1.069 17.158 ( 2.899 0.000 -0.314) 2.916 17.249 ( 1.710 0.000 -0.327) 1.741 17.255 ( -2.874 0.000 -0.451) 2.910 17.275 ( -0.883 0.000 0.532) 1.031 17.481 ( -0.100 0.000 0.017) 0.101 17.497 ( -1.149 0.000 0.103) 1.154 17.621 ( -0.965 0.000 0.722) 1.205 17.655 ( 1.123 0.000 -1.158) 1.613 17.663 ( 1.550 0.000 -2.221) 2.709 17.740 ( -1.568 0.000 -0.538) 1.657 17.760 ( -1.131 0.000 2.733) 2.957 17.793 ( 0.748 0.000 -2.558) 2.665 17.960 ( 1.269 0.000 -1.088) 1.671 18.033 ( -1.364 0.000 5.792) 5.950 18.111 ( -0.712 0.000 1.526) 1.684 18.247 ( -0.543 0.000 -4.615) 4.646 18.298 ( 0.666 0.000 1.841) 1.958 18.340 ( -0.202 0.000 0.382) 0.432 18.406 ( -0.020 0.000 0.690) 0.690 18.448 ( -0.615 0.000 1.020) 1.191 18.700 ( 0.224 0.000 -0.031) 0.226 18.727 ( -0.293 0.000 0.584) 0.653 21.221 ( 16.458 0.000 1.159) 16.499 21.248 ( 17.786 0.000 2.392) 17.946 21.302 ( 12.189 0.000 -1.614) 12.295 21.314 ( 13.716 0.000 -2.308) 13.909 21.348 ( 15.368 0.000 5.576) 16.348 21.565 ( -10.084 0.000 -3.658) 10.727 21.591 ( -13.583 0.000 -2.336) 13.783 21.693 ( -9.738 0.000 1.443) 9.845 21.738 ( -10.878 0.000 -5.232) 12.071 21.758 ( -7.682 0.000 2.112) 7.967 21.772 ( 0.761 0.000 -5.726) 5.776 21.924 ( -3.563 0.000 2.631) 4.429 26.929 ( 0.236 0.000 0.282) 0.368 26.949 ( -0.142 0.000 -0.014) 0.142 27.045 ( 0.195 0.000 -0.260) 0.325 27.049 ( 0.128 0.000 0.112) 0.170 27.428 ( 0.116 0.000 0.212) 0.242 27.470 ( -0.062 0.000 -0.067) 0.091 27.473 ( -0.555 0.000 -0.149) 0.575 27.505 ( -0.471 0.000 -0.256) 0.536 27.736 ( 0.045 0.000 -0.233) 0.237 27.766 ( 0.944 0.000 -0.046) 0.946 27.781 ( -0.940 0.000 0.018) 0.941 27.797 ( -1.204 0.000 0.510) 1.308 36.855 ( 5.980 0.000 -3.821) 7.096 36.935 ( 1.947 0.000 -2.271) 2.992 36.936 ( -4.479 0.000 5.457) 7.060 37.160 ( 1.313 0.000 0.376) 1.366 37.179 ( -0.606 0.000 3.387) 3.441 37.213 ( 0.065 0.000 1.073) 1.075 37.482 ( 6.503 0.000 6.218) 8.997 37.571 ( 1.654 0.000 -2.396) 2.911 37.641 ( 8.725 0.000 7.818) 11.715 37.667 ( 0.348 0.000 3.182) 3.201 37.801 ( 2.803 0.000 -0.054) 2.803 37.915 ( -8.956 0.000 -10.547) 13.837 38.065 ( 0.962 0.000 -2.148) 2.354 38.290 ( 6.394 0.000 -0.869) 6.453 38.291 ( 5.234 0.000 2.622) 5.854 38.443 ( -5.323 0.000 7.791) 9.436 38.562 ( 6.167 0.000 -1.355) 6.314 38.590 ( 5.577 0.000 -3.707) 6.696 38.647 ( 5.631 0.000 -2.981) 6.371 39.040 ( -22.275 0.000 -4.362) 22.698 39.174 ( -7.020 0.000 2.811) 7.562 39.176 ( -12.122 0.000 2.459) 12.369 39.220 ( -11.975 0.000 -1.076) 12.023 39.499 ( -11.508 0.000 2.898) 11.867 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.531 ( 0.000 30.279 0.000) 30.279 0.596 ( 0.000 33.360 0.000) 33.360 1.067 ( 0.000 57.287 0.000) 57.287 1.573 ( 0.000 -23.039 0.000) 23.039 1.687 ( 0.000 -25.416 0.000) 25.416 2.331 ( 0.000 7.997 0.000) 7.997 2.336 ( 0.000 2.084 0.000) 2.084 2.553 ( 0.000 3.471 0.000) 3.471 2.718 ( 0.000 7.062 0.000) 7.062 2.882 ( 0.000 12.357 0.000) 12.357 3.022 ( 0.000 -1.051 0.000) 1.051 3.069 ( 0.000 -19.098 0.000) 19.098 3.146 ( 0.000 20.266 0.000) 20.266 3.223 ( 0.000 4.914 0.000) 4.914 3.374 ( 0.000 -9.736 0.000) 9.736 3.441 ( 0.000 -1.989 0.000) 1.989 3.555 ( 0.000 -4.588 0.000) 4.588 3.656 ( 0.000 -5.909 0.000) 5.909 3.751 ( 0.000 -5.414 0.000) 5.414 3.827 ( 0.000 2.594 0.000) 2.594 3.842 ( 0.000 -6.421 0.000) 6.421 3.868 ( 0.000 0.040 0.000) 0.040 3.902 ( 0.000 -9.113 0.000) 9.113 3.965 ( 0.000 -2.433 0.000) 2.433 4.075 ( 0.000 9.102 0.000) 9.102 4.138 ( 0.000 3.092 0.000) 3.092 4.362 ( 0.000 -5.733 0.000) 5.733 4.413 ( 0.000 -6.973 0.000) 6.973 4.474 ( 0.000 -2.575 0.000) 2.575 4.509 ( 0.000 -2.394 0.000) 2.394 4.718 ( 0.000 2.348 0.000) 2.348 4.741 ( 0.000 2.598 0.000) 2.598 4.904 ( 0.000 4.094 0.000) 4.094 4.923 ( 0.000 0.286 0.000) 0.286 4.986 ( 0.000 2.199 0.000) 2.199 5.056 ( 0.000 -0.143 0.000) 0.143 5.242 ( 0.000 -0.610 0.000) 0.610 5.268 ( 0.000 1.092 0.000) 1.092 5.527 ( 0.000 0.422 0.000) 0.422 5.528 ( 0.000 1.043 0.000) 1.043 5.607 ( 0.000 2.230 0.000) 2.230 5.696 ( 0.000 5.486 0.000) 5.486 5.744 ( 0.000 8.858 0.000) 8.858 5.787 ( 0.000 -7.227 0.000) 7.227 5.853 ( 0.000 -4.210 0.000) 4.210 5.935 ( 0.000 -1.591 0.000) 1.591 6.073 ( 0.000 -4.227 0.000) 4.227 6.142 ( 0.000 -6.336 0.000) 6.336 6.229 ( 0.000 5.074 0.000) 5.074 6.287 ( 0.000 2.766 0.000) 2.766 6.354 ( 0.000 1.364 0.000) 1.364 6.408 ( 0.000 9.349 0.000) 9.349 6.593 ( 0.000 9.418 0.000) 9.418 6.607 ( 0.000 -1.183 0.000) 1.183 6.860 ( 0.000 8.645 0.000) 8.645 6.922 ( 0.000 -7.079 0.000) 7.079 6.950 ( 0.000 -0.202 0.000) 0.202 6.980 ( 0.000 -2.723 0.000) 2.723 7.049 ( 0.000 -15.085 0.000) 15.085 7.213 ( 0.000 -10.102 0.000) 10.102 7.216 ( 0.000 -2.539 0.000) 2.539 7.324 ( 0.000 -1.648 0.000) 1.648 7.353 ( 0.000 -1.222 0.000) 1.222 7.392 ( 0.000 -5.209 0.000) 5.209 7.498 ( 0.000 1.528 0.000) 1.528 7.517 ( 0.000 1.212 0.000) 1.212 7.519 ( 0.000 -3.831 0.000) 3.831 7.615 ( 0.000 -5.868 0.000) 5.868 7.709 ( 0.000 6.180 0.000) 6.180 7.773 ( 0.000 5.352 0.000) 5.352 7.788 ( 0.000 5.635 0.000) 5.635 7.870 ( 0.000 6.042 0.000) 6.042 7.955 ( 0.000 -2.969 0.000) 2.969 8.008 ( 0.000 6.483 0.000) 6.483 8.082 ( 0.000 -4.241 0.000) 4.241 8.202 ( 0.000 -7.966 0.000) 7.966 8.220 ( 0.000 1.255 0.000) 1.255 8.410 ( 0.000 -5.418 0.000) 5.418 8.501 ( 0.000 4.963 0.000) 4.963 8.529 ( 0.000 2.609 0.000) 2.609 8.627 ( 0.000 6.437 0.000) 6.437 8.659 ( 0.000 0.508 0.000) 0.508 8.745 ( 0.000 2.996 0.000) 2.996 8.843 ( 0.000 -4.170 0.000) 4.170 8.898 ( 0.000 0.127 0.000) 0.127 8.928 ( 0.000 -0.595 0.000) 0.595 9.025 ( 0.000 -1.899 0.000) 1.899 9.089 ( 0.000 -1.780 0.000) 1.780 9.189 ( 0.000 3.218 0.000) 3.218 9.338 ( 0.000 -2.743 0.000) 2.743 9.373 ( 0.000 3.082 0.000) 3.082 9.428 ( 0.000 -1.310 0.000) 1.310 9.436 ( 0.000 4.314 0.000) 4.314 9.519 ( 0.000 -1.814 0.000) 1.814 9.567 ( 0.000 -4.138 0.000) 4.138 9.603 ( 0.000 -2.583 0.000) 2.583 9.767 ( 0.000 4.741 0.000) 4.741 9.826 ( 0.000 1.049 0.000) 1.049 9.874 ( 0.000 1.518 0.000) 1.518 9.893 ( 0.000 1.193 0.000) 1.193 10.029 ( 0.000 2.811 0.000) 2.811 10.083 ( 0.000 -1.637 0.000) 1.637 10.148 ( 0.000 1.158 0.000) 1.158 10.316 ( 0.000 -3.446 0.000) 3.446 10.463 ( 0.000 8.324 0.000) 8.324 10.700 ( 0.000 0.767 0.000) 0.767 10.836 ( 0.000 -1.533 0.000) 1.533 10.920 ( 0.000 -10.931 0.000) 10.931 11.161 ( 0.000 -1.652 0.000) 1.652 11.170 ( 0.000 -1.112 0.000) 1.112 11.288 ( 0.000 2.698 0.000) 2.698 11.445 ( 0.000 -3.706 0.000) 3.706 11.481 ( 0.000 14.398 0.000) 14.398 11.968 ( 0.000 -8.741 0.000) 8.741 11.989 ( 0.000 -0.340 0.000) 0.340 12.010 ( 0.000 -0.560 0.000) 0.560 12.240 ( 0.000 2.437 0.000) 2.437 12.335 ( 0.000 -1.969 0.000) 1.969 12.537 ( 0.000 3.504 0.000) 3.504 12.694 ( 0.000 -3.395 0.000) 3.395 14.242 ( 0.000 -2.825 0.000) 2.825 14.289 ( 0.000 -3.759 0.000) 3.759 14.403 ( 0.000 -0.431 0.000) 0.431 14.457 ( 0.000 -1.637 0.000) 1.637 14.686 ( 0.000 12.032 0.000) 12.032 14.744 ( 0.000 2.335 0.000) 2.335 14.826 ( 0.000 -0.570 0.000) 0.570 15.034 ( 0.000 -5.032 0.000) 5.032 16.072 ( 0.000 1.355 0.000) 1.355 16.130 ( 0.000 -1.200 0.000) 1.200 16.585 ( 0.000 4.870 0.000) 4.870 16.841 ( 0.000 -6.853 0.000) 6.853 17.000 ( 0.000 2.210 0.000) 2.210 17.026 ( 0.000 0.421 0.000) 0.421 17.186 ( 0.000 0.212 0.000) 0.212 17.280 ( 0.000 -3.188 0.000) 3.188 17.332 ( 0.000 2.287 0.000) 2.287 17.350 ( 0.000 0.930 0.000) 0.930 17.420 ( 0.000 -1.244 0.000) 1.244 17.440 ( 0.000 -1.273 0.000) 1.273 17.651 ( 0.000 -1.021 0.000) 1.021 17.724 ( 0.000 -3.929 0.000) 3.929 17.765 ( 0.000 2.717 0.000) 2.717 17.783 ( 0.000 1.056 0.000) 1.056 17.917 ( 0.000 2.650 0.000) 2.650 17.970 ( 0.000 -0.501 0.000) 0.501 17.986 ( 0.000 2.710 0.000) 2.710 18.019 ( 0.000 0.532 0.000) 0.532 18.080 ( 0.000 3.439 0.000) 3.439 18.196 ( 0.000 -1.736 0.000) 1.736 18.263 ( 0.000 3.852 0.000) 3.852 18.365 ( 0.000 0.447 0.000) 0.447 18.400 ( 0.000 -1.170 0.000) 1.170 18.514 ( 0.000 -6.683 0.000) 6.683 18.674 ( 0.000 1.460 0.000) 1.460 18.744 ( 0.000 -1.477 0.000) 1.477 20.122 ( 0.000 0.072 0.000) 0.072 20.124 ( 0.000 -0.019 0.000) 0.019 20.144 ( 0.000 -0.108 0.000) 0.108 20.145 ( 0.000 -0.196 0.000) 0.196 20.154 ( 0.000 0.150 0.000) 0.150 20.154 ( 0.000 0.110 0.000) 0.110 22.106 ( 0.000 0.304 0.000) 0.304 22.124 ( 0.000 -0.598 0.000) 0.598 22.153 ( 0.000 0.517 0.000) 0.517 22.156 ( 0.000 0.127 0.000) 0.127 22.163 ( 0.000 -0.158 0.000) 0.158 22.168 ( 0.000 -0.227 0.000) 0.227 26.904 ( 0.000 0.508 0.000) 0.508 26.926 ( 0.000 -0.493 0.000) 0.493 27.021 ( 0.000 0.079 0.000) 0.079 27.028 ( 0.000 -0.242 0.000) 0.242 27.443 ( 0.000 1.170 0.000) 1.170 27.503 ( 0.000 -1.768 0.000) 1.768 27.568 ( 0.000 0.427 0.000) 0.427 27.570 ( 0.000 0.094 0.000) 0.094 27.701 ( 0.000 1.277 0.000) 1.277 27.757 ( 0.000 -1.189 0.000) 1.189 27.897 ( 0.000 0.480 0.000) 0.480 27.916 ( 0.000 -0.370 0.000) 0.370 36.619 ( 0.000 1.929 0.000) 1.929 36.747 ( 0.000 -4.997 0.000) 4.997 36.883 ( 0.000 0.804 0.000) 0.804 36.885 ( 0.000 0.271 0.000) 0.271 36.958 ( 0.000 3.532 0.000) 3.532 36.991 ( 0.000 0.651 0.000) 0.651 37.048 ( 0.000 -0.673 0.000) 0.673 37.076 ( 0.000 -1.361 0.000) 1.361 37.276 ( 0.000 0.684 0.000) 0.684 37.371 ( 0.000 -4.897 0.000) 4.897 37.690 ( 0.000 1.855 0.000) 1.855 37.798 ( 0.000 -3.095 0.000) 3.095 37.883 ( 0.000 4.042 0.000) 4.042 38.059 ( 0.000 -4.741 0.000) 4.741 38.204 ( 0.000 18.950 0.000) 18.950 38.547 ( 0.000 10.324 0.000) 10.324 39.069 ( 0.000 -16.922 0.000) 16.922 39.117 ( 0.000 -28.407 0.000) 28.407 39.910 ( 0.000 16.512 0.000) 16.512 39.981 ( 0.000 17.214 0.000) 17.214 40.627 ( 0.000 -5.702 0.000) 5.702 40.672 ( 0.000 -6.750 0.000) 6.750 40.988 ( 0.000 2.898 0.000) 2.898 41.083 ( 0.000 -1.955 0.000) 1.955 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 19.410 11.818 8.915) 24.411 0.857 ( 15.838 21.199 18.424) 32.244 1.502 ( 10.674 -7.719 1.269) 13.234 1.613 ( 22.694 20.081 6.865) 31.071 1.768 ( 5.992 -19.617 6.672) 21.569 2.287 ( 2.480 7.466 -5.973) 9.877 2.450 ( 3.820 0.701 -0.005) 3.884 2.555 ( 1.028 3.587 0.338) 3.747 2.738 ( -1.111 7.544 5.461) 9.379 2.828 ( -12.215 8.677 -0.536) 14.993 2.884 ( -0.721 10.214 -3.858) 10.942 3.116 ( -5.925 0.988 1.474) 6.185 3.167 ( 3.937 -13.424 -3.382) 14.393 3.206 ( 0.218 7.513 2.090) 7.801 3.336 ( -5.386 -7.307 -4.303) 10.046 3.399 ( -5.223 -1.653 3.580) 6.545 3.567 ( -8.404 -5.744 -2.895) 10.583 3.621 ( -1.511 -4.476 8.745) 9.940 3.713 ( 0.681 -1.324 -2.044) 2.528 3.762 ( 2.141 -11.518 2.793) 12.044 3.885 ( 1.788 0.982 -3.100) 3.711 3.988 ( 10.269 -6.604 -6.863) 14.006 4.009 ( 2.406 -3.185 3.147) 5.083 4.088 ( 7.443 -3.635 1.838) 8.485 4.211 ( 10.475 1.256 -1.934) 10.725 4.224 ( 6.117 6.512 -1.208) 9.016 4.370 ( 6.060 -6.376 -0.115) 8.798 4.452 ( 0.298 -4.035 -0.742) 4.114 4.496 ( 5.896 -1.052 2.094) 6.344 4.549 ( 5.561 -4.754 -1.812) 7.537 4.737 ( 2.429 4.741 -3.709) 6.491 4.800 ( 3.085 0.351 0.211) 3.112 4.900 ( 1.056 3.077 -2.687) 4.219 4.958 ( 1.991 -1.649 1.188) 2.845 5.032 ( 5.554 3.026 1.544) 6.511 5.152 ( 5.750 4.718 -1.784) 7.649 5.265 ( 3.678 -3.276 -2.440) 5.497 5.383 ( 7.897 -5.861 1.652) 9.972 5.511 ( -0.173 1.024 1.331) 1.688 5.563 ( 1.910 -0.837 1.901) 2.822 5.633 ( 2.707 3.314 0.256) 4.287 5.717 ( 0.394 1.765 -4.121) 4.500 5.783 ( 7.819 6.232 1.396) 10.095 5.813 ( 1.360 0.341 6.191) 6.348 5.894 ( 3.056 0.049 -7.840) 8.414 6.048 ( -1.574 0.573 2.250) 2.805 6.121 ( 11.520 -3.872 1.953) 12.309 6.169 ( 3.468 -0.282 -5.458) 6.473 6.252 ( 5.223 -5.905 -0.619) 7.908 6.323 ( 2.698 2.737 -4.122) 5.636 6.380 ( 7.139 -0.995 -0.782) 7.250 6.463 ( 2.578 2.427 3.905) 5.271 6.534 ( -2.992 3.377 -2.466) 5.142 6.660 ( 7.563 6.211 -0.311) 9.792 6.841 ( -1.186 -0.050 -3.214) 3.426 6.903 ( 3.512 -3.943 -3.544) 6.360 6.964 ( -4.490 -1.056 -0.240) 4.619 7.051 ( 7.059 -0.124 2.272) 7.417 7.065 ( 1.496 -2.235 4.490) 5.234 7.191 ( -0.853 -6.591 -1.090) 6.735 7.223 ( -0.444 -4.849 -6.058) 7.772 7.299 ( 3.200 -0.786 4.402) 5.498 7.360 ( -2.191 0.473 -7.960) 8.269 7.409 ( 4.406 0.861 -5.417) 7.035 7.451 ( 0.949 -4.283 -0.798) 4.459 7.507 ( 2.028 -0.458 -0.632) 2.173 7.587 ( -0.908 -1.764 -2.826) 3.453 7.612 ( 1.175 -1.464 10.005) 10.180 7.702 ( 2.703 3.606 0.164) 4.510 7.810 ( -0.623 4.469 6.446) 7.869 7.823 ( 1.080 1.318 0.912) 1.933 7.933 ( 4.095 -3.578 1.027) 5.534 7.983 ( 1.201 5.994 -1.094) 6.211 8.010 ( 5.109 -0.588 -2.130) 5.567 8.179 ( 2.716 -6.803 -0.368) 7.335 8.198 ( 2.090 -5.650 -2.622) 6.570 8.246 ( 2.017 -0.844 -4.014) 4.571 8.401 ( -0.042 -1.336 -2.084) 2.476 8.463 ( -0.017 7.603 1.188) 7.695 8.558 ( 0.491 1.415 0.479) 1.573 8.625 ( -0.479 0.702 -2.359) 2.507 8.665 ( 0.505 1.686 3.652) 4.054 8.736 ( -0.147 3.266 -1.775) 3.720 8.799 ( -4.876 4.259 1.689) 6.691 8.871 ( 1.798 -1.542 -0.771) 2.491 8.956 ( 0.773 -6.004 -0.522) 6.076 8.987 ( -2.024 -1.603 -2.326) 3.475 9.081 ( -0.413 -1.922 -0.998) 2.205 9.178 ( -3.489 2.626 -0.816) 4.442 9.281 ( -0.186 0.702 -2.085) 2.208 9.333 ( -1.699 1.412 -4.828) 5.309 9.385 ( -2.804 2.247 -2.960) 4.655 9.423 ( -4.732 0.503 -1.553) 5.006 9.528 ( -3.223 3.010 5.390) 6.964 9.573 ( -0.800 -2.544 3.215) 4.177 9.622 ( -0.264 -4.583 -0.037) 4.591 9.682 ( -4.712 5.058 -3.856) 7.915 9.817 ( -3.405 0.681 -2.603) 4.339 9.844 ( -0.462 -0.491 2.125) 2.229 9.881 ( -1.807 -0.725 1.777) 2.636 10.000 ( -3.270 2.273 3.016) 4.996 10.079 ( 0.688 6.729 -1.975) 7.046 10.190 ( 3.658 0.563 -3.370) 5.005 10.343 ( -0.929 -6.797 3.395) 7.655 10.461 ( -1.619 3.539 4.767) 6.154 10.609 ( -6.206 1.088 -3.509) 7.212 10.719 ( -12.176 -5.216 7.455) 15.200 10.816 ( -9.232 -9.016 0.095) 12.905 11.122 ( -6.464 0.510 2.286) 6.875 11.156 ( -6.797 0.549 4.190) 8.004 11.272 ( -4.331 1.719 4.943) 6.793 11.391 ( -4.790 -1.354 -0.201) 4.981 11.527 ( 2.667 8.342 3.420) 9.402 11.756 ( -8.293 5.710 0.105) 10.069 11.774 ( -6.687 1.183 0.513) 6.811 12.148 ( -5.002 -10.132 -2.283) 11.527 12.406 ( 9.145 1.592 4.757) 10.430 12.537 ( 5.283 3.706 -0.085) 6.454 12.637 ( 1.859 -7.170 -0.658) 7.436 12.806 ( 17.644 -20.039 8.109) 27.904 14.186 ( -4.052 -2.203 -3.694) 5.908 14.229 ( -5.785 -2.200 -1.713) 6.422 14.365 ( -9.362 4.734 0.351) 10.497 14.469 ( -5.354 6.071 2.185) 8.385 14.475 ( -13.614 8.935 -3.974) 16.762 14.526 ( -11.605 7.108 -0.402) 13.615 14.788 ( -1.196 3.983 1.416) 4.393 14.870 ( 1.252 -0.494 -2.724) 3.039 16.089 ( 1.212 0.905 0.923) 1.772 16.138 ( 1.637 -1.077 -2.068) 2.850 16.610 ( 0.763 4.570 1.699) 4.935 16.697 ( -3.341 4.024 -3.171) 6.116 17.006 ( 1.684 1.969 -2.261) 3.439 17.024 ( -0.621 0.591 1.316) 1.570 17.186 ( 0.671 0.084 -2.363) 2.458 17.230 ( -0.484 0.448 -8.496) 8.521 17.301 ( -1.067 -1.347 0.268) 1.739 17.340 ( -0.732 2.219 1.734) 2.909 17.402 ( 0.587 -3.022 0.037) 3.079 17.481 ( -0.070 -1.390 5.233) 5.415 17.628 ( -0.807 0.071 -2.532) 2.659 17.658 ( -2.174 -0.821 -0.442) 2.366 17.776 ( -0.226 1.806 -0.858) 2.012 17.785 ( 0.198 1.354 3.628) 3.877 17.901 ( -0.737 1.801 -1.869) 2.699 17.912 ( -1.571 2.781 -2.632) 4.139 17.944 ( -2.448 1.478 -4.800) 5.587 18.002 ( -1.842 2.718 4.817) 5.830 18.095 ( -0.002 0.281 5.084) 5.092 18.204 ( -1.389 -1.441 3.578) 4.100 18.277 ( 1.788 2.139 1.918) 3.384 18.349 ( -0.060 0.626 -1.578) 1.699 18.393 ( -1.127 -1.224 0.696) 1.803 18.487 ( -3.142 -5.852 2.096) 6.965 18.677 ( 0.380 1.214 0.213) 1.290 18.739 ( -0.821 -1.342 0.816) 1.772 20.233 ( 9.911 0.030 0.073) 9.911 20.237 ( 10.684 -0.109 0.140) 10.685 20.250 ( 9.851 0.231 0.708) 9.879 20.270 ( 11.456 -1.024 -0.010) 11.502 20.363 ( 20.221 5.620 -1.482) 21.040 20.979 ( 45.703 -38.908 -20.783) 63.518 22.082 ( -2.801 0.314 0.807) 2.932 22.102 ( -2.571 -0.641 0.429) 2.684 22.120 ( -3.423 0.404 0.792) 3.537 22.128 ( -3.121 -0.032 0.524) 3.165 22.139 ( -1.641 0.214 -1.323) 2.118 22.158 ( -0.910 -0.338 -1.844) 2.084 26.906 ( 0.270 0.565 -0.059) 0.629 26.931 ( 0.192 -0.558 0.590) 0.835 27.024 ( 0.286 0.037 0.065) 0.296 27.030 ( 0.300 -0.237 -0.220) 0.441 27.439 ( -0.484 1.093 0.304) 1.234 27.498 ( -0.480 -1.716 -0.137) 1.787 27.555 ( -1.068 0.408 -0.042) 1.144 27.559 ( -1.006 0.142 0.014) 1.016 27.706 ( 0.526 1.211 0.207) 1.336 27.754 ( -0.238 -1.012 -0.177) 1.055 27.881 ( -1.513 0.252 0.343) 1.571 27.898 ( -1.826 -0.387 0.361) 1.901 36.619 ( 2.190 3.642 -2.403) 4.883 36.768 ( 2.846 -4.979 -2.071) 6.097 36.897 ( 2.474 0.765 -0.156) 2.594 36.919 ( 1.237 -0.699 2.504) 2.879 36.989 ( 2.252 2.485 1.764) 3.790 37.011 ( 0.751 2.134 4.359) 4.911 37.076 ( 0.638 -0.843 5.327) 5.430 37.143 ( 0.984 -2.267 10.396) 10.686 37.304 ( 3.774 0.329 -1.914) 4.244 37.397 ( 2.915 -5.230 -0.733) 6.033 37.700 ( 0.015 3.766 3.008) 4.819 37.835 ( 1.844 -3.192 4.254) 5.629 37.931 ( 4.900 2.968 -0.153) 5.731 38.079 ( 2.808 -3.489 -2.169) 4.976 38.176 ( -1.205 17.872 -2.398) 18.073 38.507 ( -1.920 9.608 -4.631) 10.838 38.918 ( -7.605 -15.520 -13.904) 22.182 39.084 ( -5.527 -22.778 0.649) 23.448 39.571 ( -68.468 60.172 26.082) 94.809 39.864 ( -11.123 20.090 2.565) 23.106 39.923 ( -8.753 13.257 5.066) 16.674 40.539 ( -15.436 -7.545 2.113) 17.311 40.594 ( -18.306 -3.445 3.801) 19.011 40.691 ( -25.369 -4.272 -2.317) 25.831 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.239 ( 21.762 1.145 12.355) 25.050 1.363 ( 18.701 10.026 20.176) 29.280 1.649 ( 12.466 -18.890 3.912) 22.968 1.959 ( 9.276 -14.686 7.965) 19.109 2.222 ( 16.383 11.629 0.009) 20.091 2.299 ( 2.922 7.528 -2.185) 8.366 2.498 ( 1.294 5.020 5.920) 7.869 2.616 ( 3.290 2.115 0.132) 3.913 2.664 ( 1.147 11.433 1.435) 11.579 2.740 ( 0.406 8.924 -7.556) 11.700 2.862 ( -0.833 6.850 2.653) 7.393 2.937 ( -8.368 -1.795 -3.340) 9.187 3.102 ( -8.016 -1.285 2.694) 8.554 3.170 ( -4.597 -0.611 0.251) 4.644 3.256 ( -2.467 -2.798 0.003) 3.731 3.369 ( 1.394 7.616 0.035) 7.742 3.484 ( -4.535 1.231 1.900) 5.068 3.645 ( 3.529 -1.774 3.921) 5.565 3.719 ( -1.481 -2.033 -0.414) 2.549 3.833 ( 4.252 -11.905 -1.569) 12.738 3.878 ( 2.436 -0.160 -3.425) 4.205 4.004 ( -6.826 -2.075 -0.302) 7.140 4.038 ( -0.282 -3.573 -1.701) 3.967 4.161 ( 6.226 -10.515 -0.520) 12.231 4.294 ( 3.391 3.633 -1.809) 5.289 4.427 ( 6.234 -3.440 -2.192) 7.450 4.502 ( 9.371 1.341 -1.574) 9.596 4.555 ( 6.774 -0.138 -4.941) 8.386 4.631 ( 4.771 -4.396 -4.858) 8.104 4.681 ( 8.095 -0.222 2.523) 8.482 4.735 ( 4.104 3.838 -3.021) 6.379 4.828 ( 2.155 0.416 -0.972) 2.400 4.943 ( 6.010 -0.040 -1.618) 6.224 5.033 ( 4.826 -4.440 0.801) 6.607 5.178 ( 6.227 4.428 4.079) 8.661 5.252 ( 6.712 6.295 -1.396) 9.307 5.304 ( 2.752 0.394 -4.153) 4.997 5.514 ( 3.862 -5.676 0.603) 6.892 5.569 ( 2.148 1.463 2.627) 3.695 5.640 ( 4.216 -0.155 2.094) 4.710 5.678 ( 2.113 3.220 -0.588) 3.896 5.734 ( 4.001 -1.655 -0.723) 4.390 5.863 ( 1.615 1.254 -5.597) 5.959 5.906 ( 1.960 1.403 9.154) 9.466 5.985 ( 2.387 1.866 2.782) 4.113 6.065 ( 5.534 7.087 -1.036) 9.052 6.174 ( 4.432 -0.720 -6.140) 7.606 6.252 ( 4.235 4.390 -5.014) 7.896 6.330 ( 5.242 -1.554 -0.170) 5.470 6.438 ( 7.568 -3.408 -2.805) 8.761 6.454 ( 0.624 -6.653 0.412) 6.694 6.561 ( 11.301 -4.089 0.288) 12.022 6.645 ( 9.634 1.989 3.551) 10.458 6.821 ( -4.966 6.398 3.453) 8.804 6.855 ( 9.977 -0.743 -0.688) 10.028 6.919 ( 4.834 -0.311 2.232) 5.334 6.997 ( 9.436 -2.924 -4.116) 10.702 7.098 ( 0.609 -1.212 -2.054) 2.461 7.123 ( -3.448 -6.052 -4.595) 8.344 7.174 ( 4.093 -2.872 -4.000) 6.403 7.253 ( 1.424 -3.129 -1.055) 3.596 7.306 ( 7.013 -0.241 2.726) 7.528 7.384 ( 2.959 3.597 -1.838) 5.007 7.462 ( 6.777 0.897 1.572) 7.015 7.524 ( 3.707 0.275 1.025) 3.856 7.551 ( 0.868 0.241 2.571) 2.724 7.605 ( 5.749 -5.340 -0.040) 7.847 7.724 ( 2.302 -3.560 7.923) 8.986 7.779 ( 2.523 -0.320 2.830) 3.805 7.838 ( 1.457 2.127 2.736) 3.759 7.864 ( 1.482 -0.724 2.528) 3.019 7.981 ( 3.284 4.023 -3.245) 6.124 8.036 ( 3.387 -0.139 -2.764) 4.374 8.085 ( 3.370 -1.144 -4.681) 5.880 8.199 ( 2.897 -5.826 -1.849) 6.764 8.206 ( 0.035 2.431 -7.037) 7.446 8.261 ( 5.661 -2.813 -0.277) 6.327 8.397 ( -0.430 -1.909 1.524) 2.480 8.460 ( 0.705 4.545 -5.960) 7.528 8.560 ( -3.366 2.577 -0.435) 4.261 8.600 ( 0.263 1.164 4.637) 4.788 8.679 ( -0.023 -1.271 -4.811) 4.976 8.714 ( -2.005 5.050 -0.426) 5.450 8.758 ( -0.675 2.273 1.123) 2.623 8.881 ( -0.589 -3.915 -0.625) 4.009 8.927 ( -1.208 1.702 -1.862) 2.797 9.000 ( 1.855 -2.366 2.997) 4.246 9.036 ( -7.391 3.570 -3.202) 8.810 9.062 ( -1.805 -1.648 -0.603) 2.517 9.210 ( -7.059 -2.133 -6.882) 10.086 9.258 ( -1.957 2.114 -2.185) 3.615 9.296 ( -2.725 1.661 1.190) 3.406 9.336 ( -2.701 4.258 1.111) 5.163 9.462 ( -5.655 4.783 -0.166) 7.408 9.525 ( -4.287 0.889 0.792) 4.450 9.557 ( -4.817 -6.349 -0.414) 7.980 9.607 ( -3.009 1.540 -0.553) 3.425 9.706 ( -5.429 0.504 -2.122) 5.851 9.837 ( -1.321 -1.227 0.324) 1.832 9.876 ( -1.848 -1.503 2.833) 3.701 9.951 ( -4.158 4.193 1.619) 6.123 10.034 ( -4.837 6.976 1.145) 8.566 10.167 ( -4.619 -5.493 -2.490) 7.596 10.321 ( -3.559 -6.014 2.068) 7.287 10.419 ( -8.095 1.253 1.844) 8.397 10.470 ( -5.145 -0.157 -2.400) 5.680 10.570 ( -8.492 -0.921 2.738) 8.970 10.642 ( -6.144 -4.935 4.043) 8.857 10.960 ( -14.091 3.779 2.552) 14.810 10.986 ( -9.785 -0.750 4.742) 10.899 11.171 ( -8.724 5.334 4.031) 10.991 11.283 ( -2.979 1.233 -6.974) 7.684 11.570 ( -2.202 0.542 -0.547) 2.333 11.685 ( -2.397 3.221 9.346) 10.172 11.761 ( 0.759 -0.935 7.046) 7.148 11.902 ( -13.792 -7.237 -4.978) 16.351 12.504 ( 2.306 1.434 -2.141) 3.458 12.601 ( -0.176 -2.074 -6.417) 6.746 12.753 ( 9.785 3.411 5.109) 11.553 13.124 ( 7.407 -20.925 5.958) 22.983 13.973 ( -12.188 15.285 -2.162) 19.668 14.045 ( -9.750 -0.918 -1.730) 9.945 14.140 ( -6.146 -1.347 0.345) 6.301 14.292 ( -4.988 -1.914 -5.610) 7.747 14.422 ( -0.404 4.095 1.237) 4.297 14.498 ( -0.149 -0.994 3.180) 3.335 14.767 ( -1.532 3.549 -0.217) 3.872 14.878 ( -0.392 -1.662 1.047) 2.003 16.128 ( 1.947 0.290 0.678) 2.082 16.156 ( 2.136 -0.716 -2.574) 3.420 16.627 ( 1.528 4.691 -0.866) 5.009 16.687 ( 1.599 0.697 -0.759) 1.902 17.013 ( 1.322 1.090 -2.617) 3.128 17.039 ( 0.896 0.346 0.701) 1.189 17.143 ( 0.554 1.647 -6.235) 6.472 17.211 ( 1.706 1.050 -2.547) 3.241 17.284 ( -0.922 -2.038 0.262) 2.252 17.343 ( -0.140 0.658 0.750) 1.007 17.435 ( 1.610 -2.483 1.857) 3.493 17.509 ( -0.752 -0.793 3.079) 3.268 17.600 ( 0.097 -1.037 -2.026) 2.278 17.626 ( -0.967 -1.600 -0.243) 1.885 17.759 ( -1.257 1.915 -0.984) 2.493 17.800 ( -1.015 0.652 0.381) 1.265 17.830 ( -1.731 -0.473 -5.603) 5.883 17.863 ( -1.425 -1.094 -2.809) 3.334 17.922 ( 0.650 6.901 3.152) 7.615 18.002 ( -2.534 3.696 5.614) 7.184 18.141 ( -0.885 -2.370 6.021) 6.531 18.201 ( -1.052 -1.431 2.451) 3.027 18.318 ( 0.525 -1.113 0.918) 1.536 18.338 ( 1.506 -0.097 -5.112) 5.330 18.371 ( -2.025 -0.226 3.026) 3.648 18.457 ( -2.116 -2.898 3.765) 5.201 18.689 ( 0.575 1.021 0.380) 1.231 18.731 ( -0.891 -0.757 1.356) 1.790 20.499 ( 16.514 0.379 0.466) 16.525 20.505 ( 16.774 0.580 1.050) 16.816 20.541 ( 17.812 -0.747 2.203) 17.963 20.562 ( 17.994 -2.690 -0.273) 18.196 20.777 ( 23.113 10.721 -4.528) 25.878 21.391 ( 20.782 -20.644 -21.567) 36.376 22.009 ( -5.773 0.293 1.175) 5.899 22.023 ( -5.669 0.170 -1.052) 5.768 22.038 ( -6.174 0.411 2.210) 6.571 22.052 ( -5.447 0.318 0.393) 5.470 22.067 ( -4.603 -0.617 -0.713) 4.698 22.095 ( -3.818 -0.678 -2.905) 4.845 26.913 ( 0.404 0.585 0.182) 0.734 26.940 ( 0.151 -0.633 0.611) 0.892 27.032 ( 0.452 -0.004 0.108) 0.465 27.036 ( 0.537 -0.168 -0.382) 0.680 27.432 ( -0.536 0.981 0.537) 1.240 27.484 ( -0.833 -1.408 -0.179) 1.646 27.528 ( -1.387 0.394 -0.369) 1.488 27.539 ( -0.959 -0.005 -0.123) 0.967 27.722 ( 0.803 0.520 0.370) 1.026 27.746 ( -0.311 -0.564 -0.272) 0.699 27.849 ( -1.991 -0.013 0.260) 2.008 27.859 ( -2.389 -0.304 0.644) 2.492 36.675 ( 4.930 2.907 -1.605) 5.944 36.814 ( 4.165 -4.270 -3.577) 6.955 36.958 ( 0.376 -0.103 3.060) 3.085 36.971 ( 3.457 -0.833 2.458) 4.323 37.077 ( 2.434 0.165 4.216) 4.871 37.085 ( 4.552 0.694 5.806) 7.410 37.163 ( 2.613 2.744 7.112) 8.058 37.259 ( 1.946 0.749 11.619) 11.804 37.385 ( 6.260 -0.837 -2.543) 6.808 37.468 ( 4.646 -5.394 -0.098) 7.120 37.741 ( 1.315 6.706 3.185) 7.539 37.929 ( 4.278 -2.191 3.818) 6.138 38.066 ( 7.938 2.672 -1.197) 8.461 38.085 ( 0.651 8.021 -1.027) 8.113 38.191 ( 5.488 0.240 -2.301) 5.956 38.412 ( -2.310 7.582 -7.465) 10.888 38.602 ( -11.611 -5.986 -12.446) 18.043 38.881 ( -23.103 15.339 18.847) 33.530 38.974 ( -13.115 -1.817 1.391) 13.313 39.659 ( -14.612 11.849 3.572) 19.148 39.724 ( -17.041 2.857 5.896) 18.257 40.069 ( -30.309 -9.609 3.317) 31.968 40.171 ( -24.634 -4.292 -1.609) 25.057 40.238 ( -23.210 -2.474 2.367) 23.461 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 18.091 3.894 9.502) 20.803 1.883 ( 17.499 4.017 18.512) 25.789 1.987 ( 13.356 -9.203 6.331) 17.412 2.211 ( 7.973 -7.495 6.501) 12.728 2.299 ( 3.455 -0.166 -0.102) 3.460 2.379 ( 7.620 0.338 -0.385) 7.637 2.487 ( -4.173 3.554 0.912) 5.557 2.632 ( -0.756 2.476 -10.764) 11.071 2.655 ( 0.003 2.360 -6.057) 6.500 2.794 ( -0.469 -1.159 5.233) 5.380 2.832 ( -2.157 4.646 3.982) 6.488 2.877 ( -4.193 1.536 6.090) 7.552 2.985 ( -6.020 3.593 6.100) 9.293 3.107 ( -2.438 -1.385 -3.228) 4.275 3.259 ( 3.705 7.572 1.637) 8.587 3.370 ( -3.064 4.229 -0.508) 5.247 3.511 ( 6.722 3.567 1.570) 7.770 3.597 ( -5.721 -1.489 -0.615) 5.944 3.731 ( -3.281 3.202 -1.809) 4.928 3.822 ( -2.389 5.569 0.460) 6.077 3.863 ( -4.450 -1.439 -8.540) 9.737 3.924 ( 6.219 -1.359 -3.953) 7.493 4.076 ( 5.194 -5.384 3.208) 8.140 4.237 ( 0.467 -3.904 -2.767) 4.808 4.368 ( 2.532 -6.898 -1.485) 7.497 4.423 ( -1.399 -2.451 -4.319) 5.159 4.513 ( 4.472 -1.324 -3.951) 6.112 4.601 ( 0.006 -0.317 -0.406) 0.515 4.740 ( 8.438 -0.019 -4.618) 9.619 4.793 ( 4.090 3.460 -0.044) 5.357 4.862 ( 5.674 -3.213 -0.606) 6.549 4.904 ( 4.540 -0.342 -0.857) 4.633 5.092 ( 9.306 -1.731 -1.397) 9.569 5.169 ( 8.293 -4.011 1.859) 9.398 5.300 ( 1.750 4.112 0.789) 4.538 5.343 ( 4.425 4.593 2.126) 6.723 5.388 ( 8.248 4.266 -1.587) 9.421 5.541 ( -1.044 -3.568 -0.891) 3.823 5.577 ( -1.893 -0.636 -4.640) 5.052 5.626 ( -2.772 0.656 1.834) 3.388 5.753 ( 2.254 3.464 -2.447) 4.803 5.808 ( 3.700 2.252 0.840) 4.412 5.917 ( 4.846 1.012 2.743) 5.660 5.997 ( -1.652 1.362 5.671) 6.062 6.013 ( 2.678 5.330 3.202) 6.769 6.127 ( 3.646 -0.219 -2.479) 4.415 6.182 ( 3.612 -3.090 -2.258) 5.262 6.330 ( -0.624 -8.316 5.868) 10.197 6.480 ( 5.899 0.268 -4.970) 7.719 6.518 ( 4.124 -0.525 -1.464) 4.407 6.564 ( 9.192 5.326 2.765) 10.978 6.761 ( -0.848 0.807 5.890) 6.005 6.795 ( 5.150 -6.479 -2.423) 8.624 6.851 ( 9.180 4.720 0.940) 10.365 6.920 ( -1.346 -6.044 -4.417) 7.606 7.033 ( 8.636 -1.578 -1.541) 8.913 7.044 ( 1.732 -8.482 -1.718) 8.826 7.139 ( 6.516 4.172 -1.866) 7.959 7.177 ( 6.379 -2.961 2.705) 7.535 7.276 ( 9.586 -1.315 -3.234) 10.202 7.300 ( 4.993 2.964 1.405) 5.974 7.437 ( 4.117 6.634 1.684) 7.987 7.515 ( 5.220 1.227 -0.456) 5.382 7.570 ( 0.892 -6.621 5.920) 8.926 7.619 ( 3.940 0.660 0.645) 4.047 7.654 ( 8.699 -0.026 5.634) 10.364 7.740 ( 6.975 -0.332 -0.921) 7.043 7.835 ( 6.637 -4.674 3.895) 9.004 7.843 ( 0.020 -3.869 1.081) 4.018 7.899 ( 3.713 -0.455 0.215) 3.747 7.925 ( 4.070 -2.681 0.785) 4.936 8.031 ( 2.216 -2.237 -1.964) 3.711 8.074 ( 2.940 4.786 -2.486) 6.143 8.093 ( 4.262 2.329 -5.104) 7.045 8.166 ( 3.390 2.169 -6.181) 7.376 8.270 ( 3.788 -3.560 -0.648) 5.238 8.338 ( 1.132 -3.105 -5.586) 6.490 8.378 ( -0.851 -1.567 0.096) 1.786 8.430 ( 0.056 4.918 -2.258) 5.411 8.506 ( -1.965 2.078 1.593) 3.274 8.592 ( -3.630 0.579 -6.413) 7.392 8.615 ( -2.855 -1.036 3.091) 4.333 8.666 ( -3.985 3.087 1.580) 5.283 8.732 ( -0.905 -1.212 -0.209) 1.527 8.810 ( -9.829 1.468 -1.576) 10.062 8.865 ( -4.172 3.115 -3.078) 6.049 8.899 ( 2.030 4.800 -0.718) 5.261 9.000 ( -5.476 -3.378 1.310) 6.566 9.030 ( -3.891 -1.845 -2.475) 4.967 9.097 ( 2.211 -3.403 3.630) 5.445 9.205 ( -2.409 4.594 -0.450) 5.207 9.262 ( -0.282 3.462 -0.201) 3.480 9.296 ( -6.537 4.656 -1.554) 8.175 9.378 ( -1.106 -1.266 3.578) 3.953 9.466 ( -0.960 -1.214 -0.051) 1.549 9.470 ( -3.253 1.250 -2.243) 4.145 9.519 ( -3.828 -3.485 -0.852) 5.246 9.593 ( -4.254 0.284 -2.073) 4.741 9.755 ( -9.479 -0.845 -0.135) 9.518 9.781 ( -6.661 0.791 -1.065) 6.792 9.904 ( -1.961 2.694 1.246) 3.558 9.933 ( -6.431 2.649 1.152) 7.050 10.061 ( -6.671 -2.612 2.120) 7.471 10.191 ( -6.691 -6.609 2.698) 9.784 10.269 ( -7.774 2.157 -0.035) 8.068 10.316 ( -8.751 -3.601 -2.782) 9.864 10.432 ( -4.620 2.792 -2.404) 5.909 10.606 ( -4.820 -2.552 -2.028) 5.818 10.734 ( -7.066 5.764 4.889) 10.347 10.885 ( -6.213 -2.089 5.747) 8.717 11.055 ( -4.461 8.071 1.335) 9.318 11.192 ( -0.569 -0.091 -5.270) 5.301 11.475 ( -5.850 -5.083 -2.836) 8.252 11.558 ( -14.397 -6.312 1.571) 15.799 11.764 ( 1.274 5.722 5.149) 7.802 11.895 ( 2.806 -1.434 10.586) 11.045 12.525 ( 1.981 0.946 -2.676) 3.461 12.545 ( -0.067 -0.088 -5.863) 5.864 12.875 ( 0.569 2.869 -0.766) 3.023 13.207 ( -1.238 -15.030 1.901) 15.200 13.796 ( -5.299 9.967 -0.372) 11.295 13.905 ( -1.736 1.305 -0.741) 2.295 14.067 ( -3.010 -2.329 2.126) 4.360 14.196 ( -1.648 -6.899 -4.518) 8.410 14.432 ( 0.267 4.775 1.027) 4.892 14.523 ( 0.221 0.568 2.349) 2.426 14.734 ( -1.249 2.666 -0.276) 2.957 14.862 ( -2.091 -2.511 0.787) 3.361 16.167 ( 1.744 -0.024 -0.477) 1.809 16.177 ( 1.565 -0.378 -0.901) 1.845 16.660 ( 2.405 2.872 -1.125) 3.912 16.707 ( 1.020 0.088 -0.931) 1.384 17.022 ( 1.087 0.765 -0.946) 1.631 17.056 ( 0.922 -0.716 -0.899) 1.473 17.135 ( 2.155 2.137 -2.744) 4.092 17.220 ( 0.693 -0.233 -1.852) 1.992 17.276 ( -0.022 -0.157 0.709) 0.727 17.339 ( -0.853 1.752 0.267) 1.967 17.484 ( 1.723 -1.528 1.608) 2.809 17.505 ( -1.247 1.135 1.519) 2.269 17.596 ( -0.100 -2.863 0.273) 2.878 17.618 ( 0.768 -2.160 -1.455) 2.715 17.688 ( -3.172 0.697 -2.517) 4.109 17.766 ( -2.343 -1.806 -2.100) 3.628 17.793 ( 0.717 3.034 -0.523) 3.161 17.827 ( 0.142 0.507 -3.152) 3.196 17.959 ( 0.290 2.817 1.280) 3.108 18.015 ( -1.445 3.593 7.955) 8.848 18.135 ( -3.067 -1.045 3.841) 5.025 18.222 ( 1.168 -4.009 0.617) 4.221 18.300 ( -0.654 -1.040 -3.998) 4.182 18.327 ( -0.074 -1.956 0.609) 2.050 18.376 ( -0.324 1.380 1.801) 2.292 18.462 ( -0.579 -0.655 2.931) 3.059 18.702 ( 0.482 0.945 0.283) 1.098 18.727 ( -0.608 -0.236 1.293) 1.448 20.853 ( 19.018 0.319 0.721) 19.034 20.877 ( 19.434 0.949 2.215) 19.582 20.921 ( 19.409 -2.847 -0.534) 19.624 20.941 ( 19.489 -1.293 4.239) 19.987 21.143 ( 18.868 9.539 -5.855) 21.938 21.542 ( 10.983 -9.857 -14.453) 20.656 21.863 ( -8.827 1.391 -2.545) 9.292 21.877 ( -8.962 -0.064 0.655) 8.986 21.903 ( -8.549 0.605 -2.541) 8.939 21.920 ( -8.638 0.887 3.312) 9.294 21.952 ( -7.734 -1.222 -4.072) 8.826 21.975 ( -6.466 -1.800 3.399) 7.524 26.923 ( 0.350 0.428 0.359) 0.660 26.945 ( -0.031 -0.574 0.299) 0.648 27.042 ( 0.475 0.007 -0.171) 0.505 27.043 ( 0.410 -0.013 -0.083) 0.419 27.429 ( -0.168 0.692 0.492) 0.865 27.468 ( -0.632 -1.039 -0.021) 1.216 27.499 ( -1.141 0.586 -0.525) 1.386 27.520 ( -0.809 -0.227 -0.375) 0.920 27.736 ( 0.032 -0.174 -0.156) 0.236 27.744 ( 0.637 -0.211 0.032) 0.672 27.812 ( -1.892 0.192 0.253) 1.919 27.823 ( -1.823 -0.105 0.671) 1.946 36.768 ( 6.026 1.615 -2.273) 6.640 36.866 ( 3.700 -3.283 -2.820) 5.694 36.975 ( -1.333 1.101 3.320) 3.743 37.046 ( 1.904 -3.324 2.038) 4.339 37.169 ( 2.507 2.100 6.255) 7.059 37.254 ( 5.250 -2.321 5.481) 7.937 37.263 ( 2.842 5.508 8.097) 10.197 37.428 ( 7.088 4.310 6.617) 10.611 37.491 ( 5.529 -3.375 0.589) 6.504 37.563 ( 3.799 -4.298 1.832) 6.022 37.801 ( 3.934 8.729 -0.061) 9.575 38.031 ( 2.538 3.127 0.404) 4.048 38.097 ( 5.545 -1.507 -2.206) 6.155 38.225 ( -8.453 -2.574 -9.943) 13.302 38.264 ( 4.689 0.482 -1.134) 4.848 38.291 ( 9.273 -0.820 -1.667) 9.458 38.435 ( 4.304 1.723 -3.711) 5.939 38.657 ( -12.892 8.866 11.146) 19.210 38.771 ( -7.382 -1.591 -3.248) 8.220 39.343 ( -19.827 -1.677 0.509) 19.904 39.390 ( -19.490 -5.901 5.935) 21.211 39.602 ( -22.313 -2.854 -1.355) 22.535 39.629 ( -26.046 4.257 0.006) 26.392 39.814 ( -22.758 -1.388 4.792) 23.298 ======================= Grid point 13 (10/84) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 11.636 -0.236 5.700) 12.959 2.139 ( 1.005 -4.605 -0.274) 4.722 2.281 ( 10.303 3.671 7.620) 13.330 2.359 ( 7.900 5.278 5.254) 10.857 2.402 ( -1.406 4.080 3.547) 5.586 2.448 ( -2.010 0.320 -4.115) 4.591 2.521 ( 4.960 -4.362 2.799) 7.174 2.575 ( 1.143 -2.014 -3.522) 4.215 2.600 ( 0.705 -1.498 -3.723) 4.075 2.729 ( -6.388 -4.777 -1.819) 8.181 2.805 ( -3.252 2.675 5.539) 6.958 2.868 ( 0.134 3.544 -0.725) 3.620 2.919 ( -6.042 5.953 2.661) 8.890 3.101 ( 6.385 -0.814 6.551) 9.185 3.284 ( -2.024 5.409 -3.368) 6.686 3.360 ( -2.707 -1.650 -0.656) 3.237 3.468 ( 1.964 1.781 -0.595) 2.717 3.507 ( -8.407 1.441 -0.691) 8.558 3.620 ( -6.720 -0.455 -10.330) 12.332 3.756 ( 5.730 -1.331 4.022) 7.126 3.935 ( 4.161 5.947 3.215) 7.938 3.987 ( 2.084 3.447 -2.309) 4.643 4.118 ( -4.240 2.167 -5.797) 7.502 4.184 ( 1.871 1.926 -0.214) 2.694 4.298 ( -1.630 -5.354 -1.358) 5.759 4.488 ( 3.267 -11.252 -0.051) 11.716 4.597 ( 1.296 -1.482 2.302) 3.029 4.614 ( 2.618 -1.184 -1.644) 3.310 4.795 ( 0.792 2.641 -0.378) 2.783 4.879 ( 5.085 3.064 -2.527) 6.452 4.909 ( 0.726 -0.806 -0.347) 1.139 4.952 ( 0.427 -0.631 -0.300) 0.819 5.236 ( 5.058 -0.877 -0.897) 5.211 5.321 ( 3.742 -2.309 2.528) 5.072 5.336 ( 2.888 2.613 -0.445) 3.920 5.414 ( 0.121 -1.144 3.357) 3.548 5.464 ( -2.122 4.685 -2.229) 5.605 5.483 ( -1.722 -0.078 -4.224) 4.562 5.512 ( -0.013 -2.157 0.164) 2.163 5.595 ( 0.687 -2.073 0.139) 2.188 5.790 ( 2.363 5.105 1.081) 5.728 5.872 ( 2.099 -0.144 -1.127) 2.387 5.968 ( -1.631 6.449 2.428) 7.081 6.032 ( 0.669 1.783 -0.130) 1.908 6.073 ( 2.943 5.660 -0.097) 6.380 6.143 ( 1.355 2.418 0.600) 2.836 6.314 ( 2.130 -12.389 4.055) 13.208 6.401 ( 3.341 -6.596 7.521) 10.547 6.454 ( -0.709 0.515 -2.600) 2.744 6.533 ( -0.092 -1.307 -3.659) 3.887 6.688 ( -3.839 0.319 -0.250) 3.860 6.707 ( 0.812 0.407 -1.242) 1.539 6.819 ( -0.199 -2.664 -0.609) 2.740 6.871 ( 1.310 -3.435 0.438) 3.702 7.011 ( 2.009 -0.153 -1.532) 2.531 7.031 ( 1.032 -3.061 -3.883) 5.051 7.279 ( 10.846 -0.812 2.340) 11.125 7.298 ( 8.720 1.336 0.702) 8.850 7.331 ( 5.855 -0.266 2.126) 6.234 7.374 ( 4.595 1.749 -1.235) 5.069 7.436 ( 1.462 6.005 3.577) 7.141 7.508 ( 2.412 -0.167 0.315) 2.438 7.552 ( -2.897 -0.669 3.014) 4.234 7.613 ( -0.279 -1.219 1.030) 1.620 7.670 ( 3.462 -2.352 0.766) 4.255 7.778 ( -0.019 -5.339 0.653) 5.379 7.843 ( 0.039 -2.412 0.817) 2.547 7.879 ( 4.511 -0.510 0.582) 4.577 7.950 ( -2.767 -0.270 -4.282) 5.105 7.968 ( 5.652 -2.414 -2.125) 6.503 8.016 ( 5.393 2.049 -0.478) 5.789 8.054 ( 3.889 1.887 0.148) 4.325 8.105 ( 2.081 1.270 -4.494) 5.113 8.120 ( 5.780 0.317 -0.493) 5.810 8.204 ( -1.437 1.228 0.708) 2.018 8.300 ( -1.642 -0.491 -3.274) 3.695 8.325 ( 2.588 0.249 -2.621) 3.692 8.361 ( -3.615 -0.717 -1.361) 3.929 8.384 ( -3.337 4.187 2.315) 5.833 8.469 ( -2.460 2.293 4.683) 5.765 8.495 ( 0.910 -1.970 -4.373) 4.882 8.571 ( -2.205 -3.480 1.593) 4.417 8.606 ( -1.251 -0.304 1.718) 2.147 8.665 ( -2.546 -3.374 -2.132) 4.734 8.728 ( -0.688 1.501 -0.529) 1.734 8.813 ( -2.539 -3.723 3.415) 5.654 8.913 ( -1.092 2.114 -0.732) 2.490 8.942 ( -1.507 -0.088 -2.778) 3.162 8.948 ( 0.963 6.022 1.365) 6.249 9.106 ( -6.286 7.988 0.214) 10.167 9.184 ( 2.353 -0.095 -1.045) 2.577 9.218 ( 0.798 -1.190 -0.112) 1.437 9.264 ( 2.343 1.796 -0.689) 3.031 9.355 ( -2.395 -3.763 2.463) 5.095 9.381 ( -3.047 -1.189 -2.746) 4.271 9.451 ( -4.220 3.034 0.714) 5.246 9.486 ( -2.367 -5.187 -0.865) 5.766 9.538 ( -2.959 -2.214 1.769) 4.097 9.611 ( 2.397 2.843 -0.728) 3.789 9.663 ( -1.412 2.171 -1.996) 3.269 9.790 ( -7.139 1.183 -1.074) 7.316 9.866 ( -3.891 -0.429 0.214) 3.920 9.970 ( -1.307 2.174 2.345) 3.454 10.081 ( -6.722 0.975 -1.801) 7.027 10.181 ( -0.150 -1.094 1.761) 2.079 10.211 ( -2.739 -2.105 1.959) 3.971 10.358 ( -1.408 -0.069 0.197) 1.423 10.453 ( -3.876 -3.574 -4.999) 7.266 10.732 ( -0.930 3.337 4.428) 5.622 10.812 ( -3.066 -0.579 -0.111) 3.122 11.031 ( 1.063 9.463 -0.789) 9.556 11.162 ( -1.548 -0.579 -0.149) 1.659 11.317 ( -3.036 -6.443 -3.405) 7.894 11.410 ( -4.847 -5.784 2.510) 7.953 11.823 ( 0.883 6.928 2.628) 7.462 12.012 ( 1.421 -3.127 5.548) 6.525 12.509 ( 0.090 0.768 -2.398) 2.520 12.536 ( 0.712 -0.160 -1.354) 1.538 12.824 ( -1.887 4.448 -2.525) 5.452 13.166 ( -2.148 -12.080 0.133) 12.271 13.742 ( -0.923 8.487 -0.105) 8.538 13.939 ( 2.640 0.705 2.177) 3.494 14.034 ( -1.745 -4.284 -0.387) 4.642 14.143 ( -0.924 -7.835 -1.644) 8.059 14.445 ( 0.428 7.547 0.327) 7.566 14.533 ( -0.557 2.587 0.710) 2.740 14.734 ( 1.231 -0.273 0.267) 1.289 14.816 ( -2.486 -3.171 -0.047) 4.029 16.184 ( 0.685 0.220 -0.716) 1.015 16.198 ( 0.570 -0.510 0.257) 0.806 16.691 ( 1.223 1.578 -0.445) 2.045 16.712 ( 0.177 0.254 -0.510) 0.596 17.036 ( 0.561 0.422 0.108) 0.710 17.060 ( 0.244 -0.663 -0.808) 1.073 17.168 ( 2.234 0.495 -0.347) 2.315 17.204 ( -0.914 -1.699 -1.104) 2.223 17.285 ( -0.125 1.893 0.434) 1.947 17.326 ( -0.181 3.706 0.234) 3.718 17.493 ( -0.723 1.608 0.804) 1.938 17.523 ( 1.228 1.804 0.314) 2.204 17.583 ( -1.736 -1.988 -0.102) 2.642 17.612 ( 0.457 -3.167 -1.041) 3.364 17.660 ( 1.463 -2.581 -0.479) 3.005 17.704 ( -2.589 -2.502 -0.781) 3.684 17.802 ( -0.174 2.700 0.655) 2.784 17.816 ( 0.801 2.488 -1.852) 3.203 17.966 ( 0.487 0.908 -0.343) 1.086 18.039 ( -1.537 0.202 3.236) 3.589 18.129 ( -0.655 1.875 4.144) 4.596 18.220 ( 0.260 -2.876 -4.128) 5.038 18.275 ( -0.056 -1.798 0.054) 1.799 18.331 ( -0.337 -4.480 1.237) 4.660 18.381 ( 0.074 3.148 -0.013) 3.149 18.473 ( -0.105 0.118 1.017) 1.029 18.711 ( 0.187 0.935 0.092) 0.957 18.727 ( -0.216 0.039 0.547) 0.590 21.216 ( 16.738 -0.161 0.651) 16.752 21.245 ( 15.772 -1.440 0.002) 15.837 21.280 ( 17.046 1.019 2.232) 17.222 21.336 ( 15.814 -1.080 5.352) 16.729 21.381 ( 7.394 4.405 -3.047) 9.130 21.523 ( -8.151 -3.165 -2.785) 9.177 21.629 ( -13.021 2.722 -3.816) 13.839 21.706 ( -5.952 1.164 -1.411) 6.227 21.722 ( -11.119 -1.571 -5.031) 12.305 21.762 ( 0.868 -1.075 -5.977) 6.134 21.772 ( -9.055 1.658 4.238) 10.134 21.889 ( -5.192 -3.538 4.303) 7.615 26.931 ( 0.168 0.197 0.226) 0.344 26.945 ( -0.092 -0.424 0.018) 0.434 27.047 ( 0.202 0.123 -0.181) 0.298 27.049 ( 0.148 0.013 0.080) 0.169 27.432 ( 0.039 0.421 0.198) 0.467 27.460 ( -0.185 -0.940 0.115) 0.965 27.480 ( -0.432 0.742 -0.322) 0.917 27.504 ( -0.406 -0.219 -0.238) 0.519 27.733 ( -0.013 -0.053 -0.152) 0.161 27.757 ( 0.520 -1.038 -0.113) 1.167 27.786 ( -0.873 0.752 0.246) 1.178 27.802 ( -0.758 0.193 0.325) 0.847 36.855 ( 4.668 0.161 -2.821) 5.456 36.899 ( 0.396 -2.213 0.251) 2.262 36.965 ( -1.499 1.927 1.780) 3.021 37.078 ( 0.301 -4.779 0.913) 4.875 37.250 ( 0.882 6.713 3.740) 7.735 37.312 ( 0.780 6.828 1.872) 7.123 37.456 ( 5.954 -2.705 9.419) 11.467 37.518 ( 3.723 -2.059 -6.713) 7.947 37.611 ( -0.289 -5.471 5.311) 7.630 37.633 ( 0.879 -4.664 0.384) 4.761 37.879 ( 3.508 9.799 -0.441) 10.417 37.982 ( -2.563 5.883 -4.890) 8.068 38.071 ( 1.308 -0.138 -2.087) 2.466 38.239 ( 5.659 -3.175 -1.281) 6.614 38.363 ( 7.307 1.913 0.787) 7.595 38.414 ( -3.798 1.505 3.588) 5.437 38.480 ( 2.105 -7.063 -0.384) 7.380 38.626 ( 4.421 -3.488 -2.966) 6.365 38.692 ( 1.912 9.254 1.207) 9.526 39.002 ( -15.052 -3.025 -1.788) 15.457 39.109 ( -11.369 -5.775 2.590) 13.012 39.126 ( -12.465 -3.188 -3.805) 13.417 39.327 ( -10.604 7.328 2.480) 13.126 39.489 ( -11.922 -1.444 2.743) 12.319 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( 0.000 -29.682 0.000) 29.682 1.065 ( 0.000 29.682 0.000) 29.682 1.170 ( 0.000 -31.276 0.000) 31.276 1.170 ( 0.000 31.276 0.000) 31.276 2.040 ( 0.000 -44.977 0.000) 44.977 2.040 ( 0.000 44.977 0.000) 44.977 2.421 ( 0.000 -3.551 0.000) 3.551 2.421 ( 0.000 3.551 0.000) 3.551 2.868 ( 0.000 -7.755 0.000) 7.755 2.868 ( 0.000 7.755 0.000) 7.755 3.078 ( 0.000 -1.593 0.000) 1.593 3.078 ( 0.000 1.593 0.000) 1.593 3.219 ( 0.000 -1.220 0.000) 1.220 3.219 ( 0.000 1.220 0.000) 1.220 3.426 ( 0.000 -4.529 0.000) 4.529 3.426 ( 0.000 4.529 0.000) 4.529 3.565 ( 0.000 -10.159 0.000) 10.159 3.565 ( 0.000 10.159 0.000) 10.159 3.668 ( 0.000 -9.668 0.000) 9.668 3.668 ( 0.000 9.668 0.000) 9.668 3.831 ( 0.000 -0.211 0.000) 0.211 3.831 ( 0.000 0.211 0.000) 0.211 3.921 ( 0.000 -3.233 0.000) 3.233 3.921 ( 0.000 3.233 0.000) 3.233 4.212 ( 0.000 -1.008 0.000) 1.008 4.212 ( 0.000 1.008 0.000) 1.008 4.274 ( 0.000 -4.101 0.000) 4.101 4.274 ( 0.000 4.101 0.000) 4.101 4.468 ( 0.000 -1.555 0.000) 1.555 4.468 ( 0.000 1.555 0.000) 1.555 4.752 ( 0.000 -1.159 0.000) 1.159 4.752 ( 0.000 1.159 0.000) 1.159 4.937 ( 0.000 -0.471 0.000) 0.471 4.937 ( 0.000 0.471 0.000) 0.471 5.022 ( 0.000 -2.001 0.000) 2.001 5.022 ( 0.000 2.001 0.000) 2.001 5.267 ( 0.000 -1.490 0.000) 1.490 5.267 ( 0.000 1.490 0.000) 1.490 5.538 ( 0.000 -0.213 0.000) 0.213 5.538 ( 0.000 0.213 0.000) 0.213 5.632 ( 0.000 -4.228 0.000) 4.228 5.632 ( 0.000 4.228 0.000) 4.228 5.820 ( 0.000 -2.440 0.000) 2.440 5.820 ( 0.000 2.440 0.000) 2.440 5.894 ( 0.000 -3.418 0.000) 3.418 5.894 ( 0.000 3.418 0.000) 3.418 6.038 ( 0.000 -3.508 0.000) 3.508 6.038 ( 0.000 3.508 0.000) 3.508 6.323 ( 0.000 -3.489 0.000) 3.489 6.323 ( 0.000 3.489 0.000) 3.489 6.417 ( 0.000 -6.802 0.000) 6.802 6.417 ( 0.000 6.802 0.000) 6.802 6.642 ( 0.000 -4.522 0.000) 4.522 6.642 ( 0.000 4.522 0.000) 4.522 6.855 ( 0.000 -1.153 0.000) 1.153 6.855 ( 0.000 1.153 0.000) 1.153 6.960 ( 0.000 -1.118 0.000) 1.118 6.960 ( 0.000 1.118 0.000) 1.118 7.036 ( 0.000 -8.765 0.000) 8.765 7.036 ( 0.000 8.765 0.000) 8.765 7.230 ( 0.000 -4.335 0.000) 4.335 7.230 ( 0.000 4.335 0.000) 4.335 7.346 ( 0.000 -1.620 0.000) 1.620 7.346 ( 0.000 1.620 0.000) 1.620 7.496 ( 0.000 -4.292 0.000) 4.292 7.496 ( 0.000 4.292 0.000) 4.292 7.548 ( 0.000 -0.365 0.000) 0.365 7.548 ( 0.000 0.365 0.000) 0.365 7.812 ( 0.000 -2.580 0.000) 2.580 7.812 ( 0.000 2.580 0.000) 2.580 7.863 ( 0.000 -6.666 0.000) 6.666 7.863 ( 0.000 6.666 0.000) 6.666 7.991 ( 0.000 -6.617 0.000) 6.617 7.991 ( 0.000 6.617 0.000) 6.617 8.096 ( 0.000 -3.735 0.000) 3.735 8.096 ( 0.000 3.735 0.000) 3.735 8.290 ( 0.000 -6.680 0.000) 6.680 8.290 ( 0.000 6.680 0.000) 6.680 8.557 ( 0.000 -0.506 0.000) 0.506 8.557 ( 0.000 0.506 0.000) 0.506 8.722 ( 0.000 -2.880 0.000) 2.880 8.722 ( 0.000 2.880 0.000) 2.880 8.748 ( 0.000 -0.390 0.000) 0.390 8.748 ( 0.000 0.390 0.000) 0.390 8.899 ( 0.000 -1.081 0.000) 1.081 8.899 ( 0.000 1.081 0.000) 1.081 9.043 ( 0.000 -2.740 0.000) 2.740 9.043 ( 0.000 2.740 0.000) 2.740 9.265 ( 0.000 -4.790 0.000) 4.790 9.265 ( 0.000 4.790 0.000) 4.790 9.424 ( 0.000 -0.585 0.000) 0.585 9.424 ( 0.000 0.585 0.000) 0.585 9.486 ( 0.000 -1.446 0.000) 1.446 9.486 ( 0.000 1.446 0.000) 1.446 9.544 ( 0.000 -2.729 0.000) 2.729 9.544 ( 0.000 2.729 0.000) 2.729 9.838 ( 0.000 -2.107 0.000) 2.107 9.838 ( 0.000 2.107 0.000) 2.107 9.888 ( 0.000 -0.466 0.000) 0.466 9.888 ( 0.000 0.466 0.000) 0.466 10.061 ( 0.000 -0.969 0.000) 0.969 10.061 ( 0.000 0.969 0.000) 0.969 10.218 ( 0.000 -6.447 0.000) 6.447 10.218 ( 0.000 6.447 0.000) 6.447 10.638 ( 0.000 -9.288 0.000) 9.288 10.638 ( 0.000 9.288 0.000) 9.288 10.813 ( 0.000 -0.138 0.000) 0.138 10.813 ( 0.000 0.138 0.000) 0.138 11.147 ( 0.000 -0.672 0.000) 0.672 11.147 ( 0.000 0.672 0.000) 0.672 11.361 ( 0.000 -5.047 0.000) 5.047 11.361 ( 0.000 5.047 0.000) 5.047 11.747 ( 0.000 -14.710 0.000) 14.710 11.747 ( 0.000 14.710 0.000) 14.710 11.999 ( 0.000 -0.661 0.000) 0.661 11.999 ( 0.000 0.661 0.000) 0.661 12.290 ( 0.000 -2.926 0.000) 2.926 12.290 ( 0.000 2.926 0.000) 2.926 12.616 ( 0.000 -4.965 0.000) 4.965 12.616 ( 0.000 4.965 0.000) 4.965 14.231 ( 0.000 -1.825 0.000) 1.825 14.231 ( 0.000 1.825 0.000) 1.825 14.423 ( 0.000 -1.963 0.000) 1.963 14.423 ( 0.000 1.963 0.000) 1.963 14.783 ( 0.000 -1.514 0.000) 1.514 14.783 ( 0.000 1.514 0.000) 1.514 14.904 ( 0.000 -9.239 0.000) 9.239 14.904 ( 0.000 9.239 0.000) 9.239 16.102 ( 0.000 -1.805 0.000) 1.805 16.102 ( 0.000 1.805 0.000) 1.805 16.702 ( 0.000 -7.935 0.000) 7.935 16.702 ( 0.000 7.935 0.000) 7.935 17.027 ( 0.000 -0.591 0.000) 0.591 17.027 ( 0.000 0.591 0.000) 0.591 17.215 ( 0.000 -3.224 0.000) 3.224 17.215 ( 0.000 3.224 0.000) 3.224 17.382 ( 0.000 -0.795 0.000) 0.795 17.382 ( 0.000 0.795 0.000) 0.795 17.393 ( 0.000 -2.027 0.000) 2.027 17.393 ( 0.000 2.027 0.000) 2.027 17.663 ( 0.000 -2.343 0.000) 2.343 17.663 ( 0.000 2.343 0.000) 2.343 17.793 ( 0.000 -0.445 0.000) 0.445 17.793 ( 0.000 0.445 0.000) 0.445 17.956 ( 0.000 -1.363 0.000) 1.363 17.956 ( 0.000 1.363 0.000) 1.363 18.017 ( 0.000 -0.935 0.000) 0.935 18.017 ( 0.000 0.935 0.000) 0.935 18.150 ( 0.000 -3.520 0.000) 3.520 18.150 ( 0.000 3.520 0.000) 3.520 18.367 ( 0.000 -5.976 0.000) 5.976 18.367 ( 0.000 5.976 0.000) 5.976 18.383 ( 0.000 -3.299 0.000) 3.299 18.383 ( 0.000 3.299 0.000) 3.299 18.708 ( 0.000 -2.254 0.000) 2.254 18.708 ( 0.000 2.254 0.000) 2.254 20.124 ( 0.000 -0.068 0.000) 0.068 20.124 ( 0.000 0.068 0.000) 0.068 20.143 ( 0.000 -0.032 0.000) 0.032 20.143 ( 0.000 0.032 0.000) 0.032 20.155 ( 0.000 -0.002 0.000) 0.002 20.155 ( 0.000 0.002 0.000) 0.002 22.113 ( 0.000 -0.533 0.000) 0.533 22.113 ( 0.000 0.533 0.000) 0.533 22.159 ( 0.000 -0.116 0.000) 0.116 22.159 ( 0.000 0.116 0.000) 0.116 22.162 ( 0.000 -0.337 0.000) 0.337 22.162 ( 0.000 0.337 0.000) 0.337 26.915 ( 0.000 -0.716 0.000) 0.716 26.915 ( 0.000 0.716 0.000) 0.716 27.024 ( 0.000 -0.214 0.000) 0.214 27.024 ( 0.000 0.214 0.000) 0.214 27.470 ( 0.000 -1.848 0.000) 1.848 27.470 ( 0.000 1.848 0.000) 1.848 27.571 ( 0.000 -0.016 0.000) 0.016 27.571 ( 0.000 0.016 0.000) 0.016 27.729 ( 0.000 -1.762 0.000) 1.762 27.729 ( 0.000 1.762 0.000) 1.762 27.907 ( 0.000 -0.598 0.000) 0.598 27.907 ( 0.000 0.598 0.000) 0.598 36.669 ( 0.000 -3.712 0.000) 3.712 36.669 ( 0.000 3.712 0.000) 3.712 36.888 ( 0.000 -0.008 0.000) 0.008 36.888 ( 0.000 0.008 0.000) 0.008 37.001 ( 0.000 -0.300 0.000) 0.300 37.001 ( 0.000 0.300 0.000) 0.300 37.046 ( 0.000 -1.362 0.000) 1.362 37.046 ( 0.000 1.362 0.000) 1.362 37.302 ( 0.000 -2.589 0.000) 2.589 37.302 ( 0.000 2.589 0.000) 2.589 37.736 ( 0.000 -3.229 0.000) 3.229 37.736 ( 0.000 3.229 0.000) 3.229 37.970 ( 0.000 -5.100 0.000) 5.100 37.970 ( 0.000 5.100 0.000) 5.100 38.618 ( 0.000 -26.468 0.000) 26.468 38.618 ( 0.000 26.468 0.000) 26.468 38.779 ( 0.000 -14.827 0.000) 14.827 38.779 ( 0.000 14.827 0.000) 14.827 40.126 ( 0.000 -3.748 0.000) 3.748 40.126 ( 0.000 3.748 0.000) 3.748 40.566 ( 0.000 -2.195 0.000) 2.195 40.566 ( 0.000 2.195 0.000) 2.195 41.040 ( 0.000 -2.759 0.000) 2.759 41.040 ( 0.000 2.759 0.000) 2.759 ======================= Grid point 20 (12/84) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 6.251 -24.662 -4.135) 25.775 1.062 ( 6.251 24.662 -4.135) 25.775 1.309 ( 8.859 -26.232 11.605) 30.021 1.309 ( 8.859 26.232 11.605) 30.021 2.240 ( 11.585 -24.451 5.324) 27.575 2.240 ( 11.585 24.451 5.324) 27.575 2.490 ( 6.303 -6.980 2.517) 9.736 2.490 ( 6.303 6.980 2.517) 9.736 2.831 ( -1.746 -8.026 1.323) 8.319 2.831 ( -1.746 8.026 1.323) 8.319 3.061 ( -3.179 -8.732 -0.745) 9.322 3.061 ( -3.179 8.732 -0.745) 9.322 3.109 ( -7.352 -13.975 -3.768) 16.234 3.109 ( -7.352 13.975 -3.768) 16.234 3.447 ( -6.833 -7.262 -3.100) 10.442 3.447 ( -6.833 7.262 -3.100) 10.442 3.475 ( 2.635 -6.783 3.448) 8.052 3.475 ( 2.635 6.783 3.448) 8.052 3.672 ( 0.468 -4.119 3.711) 5.564 3.672 ( 0.468 4.119 3.711) 5.564 3.904 ( 5.518 -1.895 -5.450) 7.984 3.904 ( 5.518 1.895 -5.450) 7.984 4.022 ( 2.364 -3.369 1.466) 4.369 4.022 ( 2.364 3.369 1.466) 4.369 4.260 ( 10.010 -4.108 -1.447) 10.917 4.260 ( 10.010 4.108 -1.447) 10.917 4.358 ( 4.949 -6.371 -0.310) 8.073 4.358 ( 4.949 6.371 -0.310) 8.073 4.488 ( 4.141 -1.351 1.707) 4.678 4.488 ( 4.141 1.351 1.707) 4.678 4.795 ( 3.531 -1.634 -1.640) 4.222 4.795 ( 3.531 1.634 -1.640) 4.222 4.933 ( -0.578 -1.628 -0.745) 1.881 4.933 ( -0.578 1.628 -0.745) 1.881 5.117 ( 7.728 -6.083 0.884) 9.875 5.117 ( 7.728 6.083 0.884) 9.875 5.290 ( 3.724 -4.773 -2.203) 6.443 5.290 ( 3.724 4.773 -2.203) 6.443 5.539 ( 0.414 -2.014 3.873) 4.385 5.539 ( 0.414 2.014 3.873) 4.385 5.693 ( 4.036 -4.051 -2.814) 6.373 5.693 ( 4.036 4.051 -2.814) 6.373 5.869 ( 2.149 -2.459 -1.100) 3.447 5.869 ( 2.149 2.459 -1.100) 3.447 5.952 ( 7.308 -9.615 3.143) 12.480 5.952 ( 7.308 9.615 3.143) 12.480 6.108 ( 6.833 -5.081 -0.855) 8.558 6.108 ( 6.833 5.081 -0.855) 8.558 6.315 ( -0.351 -8.165 -0.122) 8.173 6.315 ( -0.351 8.165 -0.122) 8.173 6.389 ( 1.600 -2.419 -7.810) 8.331 6.389 ( 1.600 2.419 -7.810) 8.331 6.673 ( 2.001 -5.190 3.112) 6.374 6.673 ( 2.001 5.190 3.112) 6.374 6.827 ( 2.790 -2.421 -4.989) 6.208 6.827 ( 2.790 2.421 -4.989) 6.208 7.009 ( 1.772 -3.616 0.921) 4.131 7.009 ( 1.772 3.616 0.921) 4.131 7.077 ( 1.667 -3.647 4.294) 5.875 7.077 ( 1.667 3.647 4.294) 5.875 7.226 ( -1.574 -5.021 -4.486) 6.915 7.226 ( -1.574 5.021 -4.486) 6.915 7.365 ( 4.240 -2.469 2.672) 5.587 7.365 ( 4.240 2.469 2.672) 5.587 7.482 ( 0.950 -1.543 -2.020) 2.713 7.482 ( 0.950 1.543 -2.020) 2.713 7.593 ( 0.728 -1.388 3.946) 4.246 7.593 ( 0.728 1.388 3.946) 4.246 7.794 ( -1.514 -5.250 0.107) 5.465 7.794 ( -1.514 5.250 0.107) 5.465 7.860 ( 1.634 -3.370 0.434) 3.770 7.860 ( 1.634 3.370 0.434) 3.770 8.061 ( 3.688 -5.716 1.221) 6.912 8.061 ( 3.688 5.716 1.221) 6.912 8.099 ( 3.243 -4.794 -4.584) 7.383 8.099 ( 3.243 4.794 -4.584) 7.383 8.308 ( 1.818 -6.492 -1.975) 7.025 8.308 ( 1.818 6.492 -1.975) 7.025 8.548 ( -1.636 -2.171 4.715) 5.442 8.548 ( -1.636 2.171 4.715) 5.442 8.686 ( 0.024 -3.657 -7.983) 8.780 8.686 ( 0.024 3.657 -7.983) 8.780 8.797 ( 1.999 -4.515 3.020) 5.788 8.797 ( 1.999 4.515 3.020) 5.788 8.866 ( -2.662 -2.847 0.379) 3.916 8.866 ( -2.662 2.847 0.379) 3.916 9.026 ( -0.287 -3.941 -1.842) 4.359 9.026 ( -0.287 3.941 -1.842) 4.359 9.246 ( -1.465 -4.273 -1.935) 4.914 9.246 ( -1.465 4.273 -1.935) 4.914 9.357 ( -2.447 -1.946 -4.562) 5.531 9.357 ( -2.447 1.946 -4.562) 5.531 9.503 ( -3.565 -4.933 0.971) 6.163 9.503 ( -3.565 4.933 0.971) 6.163 9.560 ( 0.066 -0.643 4.316) 4.364 9.560 ( 0.066 0.643 4.316) 4.364 9.799 ( -2.139 -4.368 -0.541) 4.893 9.799 ( -2.139 4.368 -0.541) 4.893 9.847 ( -4.159 -2.301 -1.210) 4.905 9.847 ( -4.159 2.301 -1.210) 4.905 10.072 ( 0.640 -4.905 0.905) 5.029 10.072 ( 0.640 4.905 0.905) 5.029 10.237 ( 0.511 -5.045 -0.211) 5.075 10.237 ( 0.511 5.045 -0.211) 5.075 10.580 ( -6.510 -6.665 3.270) 9.874 10.580 ( -6.510 6.665 3.270) 9.874 10.693 ( -8.759 -3.145 -0.121) 9.307 10.693 ( -8.759 3.145 -0.121) 9.307 11.135 ( -5.148 -1.314 2.424) 5.840 11.135 ( -5.148 1.314 2.424) 5.840 11.330 ( -4.156 -4.194 3.540) 6.885 11.330 ( -4.156 4.194 3.540) 6.885 11.683 ( -3.424 -7.342 3.050) 8.657 11.683 ( -3.424 7.342 3.050) 8.657 11.947 ( -6.221 -11.468 -3.851) 13.603 11.947 ( -6.221 11.468 -3.851) 13.603 12.466 ( 9.711 -5.799 5.592) 12.618 12.466 ( 9.711 5.799 5.592) 12.618 12.644 ( 5.471 -5.364 -0.873) 7.712 12.644 ( 5.471 5.364 -0.873) 7.712 14.178 ( -4.020 -1.823 -2.341) 4.997 14.178 ( -4.020 1.823 -2.341) 4.997 14.422 ( -1.471 -2.998 0.248) 3.348 14.422 ( -1.471 2.998 0.248) 3.348 14.606 ( -16.864 -0.412 -1.286) 16.918 14.606 ( -16.864 0.412 -1.286) 16.918 14.846 ( -0.604 -2.387 -0.961) 2.643 14.846 ( -0.604 2.387 -0.961) 2.643 16.113 ( 1.668 -1.568 -1.391) 2.679 16.113 ( 1.668 1.568 -1.391) 2.679 16.688 ( -0.721 -3.756 -0.235) 3.832 16.688 ( -0.721 3.756 -0.235) 3.832 17.029 ( 0.356 -0.392 -0.409) 0.669 17.029 ( 0.356 0.392 -0.409) 0.669 17.211 ( 0.715 -2.415 -2.835) 3.792 17.211 ( 0.715 2.415 -2.835) 3.792 17.315 ( -1.084 -3.113 -4.931) 5.931 17.315 ( -1.084 3.113 -4.931) 5.931 17.429 ( -0.639 -3.924 5.495) 6.783 17.429 ( -0.639 3.924 5.495) 6.783 17.636 ( -1.628 -1.163 -0.981) 2.228 17.636 ( -1.628 1.163 -0.981) 2.228 17.796 ( 0.235 -0.321 -0.020) 0.398 17.796 ( 0.235 0.321 -0.020) 0.398 17.915 ( -2.242 -0.901 -3.748) 4.459 17.915 ( -2.242 0.901 -3.748) 4.459 18.019 ( -0.973 -2.291 4.667) 5.289 18.019 ( -0.973 2.291 4.667) 5.289 18.140 ( -2.002 -4.993 2.337) 5.865 18.140 ( -2.002 4.993 2.337) 5.865 18.347 ( 1.634 -3.578 -6.735) 7.799 18.347 ( 1.634 3.578 -6.735) 7.799 18.382 ( -2.980 -2.700 7.791) 8.767 18.382 ( -2.980 2.700 7.791) 8.767 18.707 ( -0.210 -2.025 0.585) 2.119 18.707 ( -0.210 2.025 0.585) 2.119 20.234 ( 10.350 -0.127 0.167) 10.352 20.234 ( 10.350 0.127 0.167) 10.352 20.256 ( 10.180 -0.521 0.342) 10.199 20.256 ( 10.180 0.521 0.342) 10.199 20.529 ( 31.694 -14.844 -4.587) 35.297 20.529 ( 31.694 14.844 -4.587) 35.297 22.090 ( -2.715 -0.592 0.695) 2.865 22.090 ( -2.715 0.592 0.695) 2.865 22.125 ( -3.309 -0.210 0.825) 3.417 22.125 ( -3.309 0.210 0.825) 3.417 22.149 ( -1.333 -0.660 -1.560) 2.155 22.149 ( -1.333 0.660 -1.560) 2.155 26.919 ( 0.231 -0.790 0.247) 0.860 26.919 ( 0.231 0.790 0.247) 0.860 27.026 ( 0.261 -0.156 -0.032) 0.306 27.026 ( 0.261 0.156 -0.032) 0.306 27.466 ( -0.522 -1.802 0.204) 1.887 27.466 ( -0.522 1.802 0.204) 1.887 27.560 ( -1.036 -0.134 -0.042) 1.046 27.560 ( -1.036 0.134 -0.042) 1.046 27.731 ( 0.123 -1.479 0.006) 1.484 27.731 ( 0.123 1.479 0.006) 1.484 27.889 ( -1.798 -0.589 0.391) 1.932 27.889 ( -1.798 0.589 0.391) 1.932 36.686 ( 2.520 -4.190 -1.704) 5.178 36.686 ( 2.520 4.190 -1.704) 5.178 36.908 ( 1.761 -0.577 0.789) 2.014 36.908 ( 1.761 0.577 0.789) 2.014 37.019 ( 1.611 -1.015 0.933) 2.120 37.019 ( 1.611 1.015 0.933) 2.120 37.101 ( 1.229 -2.690 9.163) 9.628 37.101 ( 1.229 2.690 9.163) 9.628 37.327 ( 3.490 -2.520 -2.151) 4.812 37.327 ( 3.490 2.520 -2.151) 4.812 37.767 ( 1.497 -3.921 3.872) 5.710 37.767 ( 1.497 3.921 3.872) 5.710 38.003 ( 3.942 -4.455 -1.030) 6.037 38.003 ( 3.942 4.455 -1.030) 6.037 38.553 ( -4.474 -22.703 -5.173) 23.711 38.553 ( -4.474 22.703 -5.173) 23.711 38.735 ( -2.732 -14.871 -3.737) 15.574 38.735 ( -2.732 14.871 -3.737) 15.574 40.012 ( -14.950 -5.625 2.567) 16.178 40.012 ( -14.950 5.625 2.567) 16.178 40.334 ( -28.436 -18.602 1.097) 33.998 40.334 ( -28.436 18.602 1.097) 33.998 40.587 ( -27.133 -4.912 2.433) 27.681 40.587 ( -27.133 4.912 2.433) 27.681 ======================= Grid point 22 (13/84) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 17.455 -11.084 11.175) 23.503 1.337 ( 17.455 11.084 11.175) 23.503 1.650 ( 14.730 -17.600 12.880) 26.318 1.650 ( 14.730 17.600 12.880) 26.318 2.351 ( 0.426 -1.710 -3.401) 3.831 2.351 ( 0.426 1.710 -3.401) 3.831 2.597 ( 1.830 -4.187 1.320) 4.757 2.597 ( 1.830 4.187 1.320) 4.757 2.873 ( -6.998 -3.437 -8.907) 11.837 2.873 ( -6.998 3.437 -8.907) 11.837 2.928 ( 1.320 -9.333 8.798) 12.894 2.928 ( 1.320 9.333 8.798) 12.894 3.073 ( 0.100 -4.925 0.295) 4.934 3.073 ( 0.100 4.925 0.295) 4.934 3.325 ( 2.235 -9.128 0.516) 9.412 3.325 ( 2.235 9.128 0.516) 9.412 3.595 ( 0.921 -11.252 5.190) 12.426 3.595 ( 0.921 11.252 5.190) 12.426 3.664 ( -1.343 -4.022 3.400) 5.435 3.664 ( -1.343 4.022 3.400) 5.435 3.945 ( 3.926 -4.292 -9.076) 10.780 3.945 ( 3.926 4.292 -9.076) 10.780 4.026 ( 0.831 -3.063 0.403) 3.199 4.026 ( 0.831 3.063 0.403) 3.199 4.364 ( 1.387 -3.758 -1.521) 4.285 4.364 ( 1.387 3.758 -1.521) 4.285 4.543 ( 12.186 -3.027 -5.159) 13.575 4.543 ( 12.186 3.027 -5.159) 13.575 4.615 ( 5.671 -4.778 0.289) 7.421 4.615 ( 5.671 4.778 0.289) 7.421 4.806 ( 1.770 -2.857 -2.813) 4.383 4.806 ( 1.770 2.857 -2.813) 4.383 4.962 ( 5.026 -2.765 -0.790) 5.791 4.962 ( 5.026 2.765 -0.790) 5.791 5.271 ( 5.782 -4.412 3.037) 7.882 5.271 ( 5.782 4.412 3.037) 7.882 5.375 ( 6.406 -7.559 -2.425) 10.201 5.375 ( 6.406 7.559 -2.425) 10.201 5.613 ( 1.728 -2.587 3.478) 4.666 5.613 ( 1.728 2.587 3.478) 4.666 5.728 ( 3.387 -0.583 -1.826) 3.892 5.728 ( 3.387 0.583 -1.826) 3.892 5.890 ( 2.093 -2.756 -0.002) 3.461 5.890 ( 2.093 2.756 -0.002) 3.461 6.102 ( 1.778 -8.470 2.620) 9.042 6.102 ( 1.778 8.470 2.620) 9.042 6.237 ( -2.907 -9.002 -4.604) 10.520 6.237 ( -2.907 9.002 -4.604) 10.520 6.296 ( 13.245 -6.466 -0.513) 14.748 6.296 ( 13.245 6.466 -0.513) 14.748 6.466 ( 9.008 -3.547 -2.556) 10.013 6.466 ( 9.008 3.547 -2.556) 10.013 6.776 ( 5.782 -7.760 2.111) 9.905 6.776 ( 5.782 7.760 2.111) 9.905 6.904 ( 7.564 -3.763 -2.841) 8.913 6.904 ( 7.564 3.763 -2.841) 8.913 6.997 ( -5.906 -7.463 1.550) 9.642 6.997 ( -5.906 7.463 1.550) 9.642 7.126 ( 5.739 -2.212 -4.724) 7.756 7.126 ( 5.739 2.212 -4.724) 7.756 7.240 ( 5.353 -2.875 3.740) 7.136 7.240 ( 5.353 2.875 3.740) 7.136 7.457 ( 2.851 -1.993 0.080) 3.480 7.457 ( 2.851 1.993 0.080) 3.480 7.545 ( 5.741 -1.156 2.818) 6.499 7.545 ( 5.741 1.156 2.818) 6.499 7.632 ( -0.007 -5.961 5.285) 7.967 7.632 ( -0.007 5.961 5.285) 7.967 7.786 ( 1.183 -3.340 -0.613) 3.596 7.786 ( 1.183 3.340 -0.613) 3.596 7.919 ( 3.176 -4.899 -0.176) 5.842 7.919 ( 3.176 4.899 -0.176) 5.842 8.101 ( 4.047 -2.150 -4.941) 6.739 8.101 ( 4.047 2.150 -4.941) 6.739 8.169 ( 3.884 -4.426 -0.648) 5.924 8.169 ( 3.884 4.426 -0.648) 5.924 8.307 ( 0.781 -6.001 -2.882) 6.702 8.307 ( 0.781 6.001 -2.882) 6.702 8.565 ( -0.705 -4.406 1.176) 4.615 8.565 ( -0.705 4.406 1.176) 4.615 8.624 ( -0.301 -3.672 -4.635) 5.921 8.624 ( -0.301 3.672 -4.635) 5.921 8.764 ( -3.276 -1.664 -2.180) 4.272 8.764 ( -3.276 1.664 -2.180) 4.272 8.906 ( 2.404 -5.020 4.873) 7.398 8.906 ( 2.404 5.020 4.873) 7.398 9.013 ( -0.492 -3.845 -0.832) 3.965 9.013 ( -0.492 3.845 -0.832) 3.965 9.132 ( -7.474 -5.818 -5.804) 11.109 9.132 ( -7.474 5.818 -5.804) 11.109 9.294 ( -1.028 -1.195 -0.603) 1.688 9.294 ( -1.028 1.195 -0.603) 1.688 9.421 ( -5.567 -5.309 1.964) 7.940 9.421 ( -5.567 5.309 1.964) 7.940 9.535 ( -2.957 -0.799 -0.963) 3.211 9.535 ( -2.957 0.799 -0.963) 3.211 9.685 ( -8.176 -4.142 -0.439) 9.176 9.685 ( -8.176 4.142 -0.439) 9.176 9.826 ( 1.103 -1.637 -0.252) 1.990 9.826 ( 1.103 1.637 -0.252) 1.990 10.054 ( -4.177 -7.158 0.664) 8.314 10.054 ( -4.177 7.158 0.664) 8.314 10.171 ( -5.873 -7.809 -1.197) 9.844 10.171 ( -5.873 7.809 -1.197) 9.844 10.467 ( -8.809 -1.559 -0.381) 8.954 10.467 ( -8.809 1.559 -0.381) 8.954 10.578 ( -3.450 -2.988 6.147) 7.657 10.578 ( -3.450 2.988 6.147) 7.657 10.974 ( -12.200 -0.244 3.766) 12.771 10.974 ( -12.200 0.244 3.766) 12.771 11.264 ( -4.590 -3.764 0.675) 5.974 11.264 ( -4.590 3.764 0.675) 5.974 11.661 ( -6.788 -7.212 0.262) 9.907 11.661 ( -6.788 7.212 0.262) 9.907 11.777 ( -3.283 -4.507 2.007) 5.926 11.777 ( -3.283 4.507 2.007) 5.926 12.551 ( 1.672 -3.340 -3.625) 5.205 12.551 ( 1.672 3.340 -3.625) 5.205 12.859 ( 9.310 -9.515 5.101) 14.256 12.859 ( 9.310 9.515 5.101) 14.256 14.049 ( -7.981 -1.296 -1.189) 8.173 14.049 ( -7.981 1.296 -1.189) 8.173 14.221 ( -10.008 -6.655 -4.936) 12.993 14.221 ( -10.008 6.655 -4.936) 12.993 14.477 ( -0.762 -2.026 2.966) 3.672 14.477 ( -0.762 2.026 2.966) 3.672 14.833 ( -1.202 -3.413 0.497) 3.652 14.833 ( -1.202 3.413 0.497) 3.652 16.140 ( 2.236 -0.943 -1.503) 2.854 16.140 ( 2.236 0.943 -1.503) 2.854 16.685 ( 0.769 -1.492 -0.717) 1.825 16.685 ( 0.769 1.492 -0.717) 1.825 17.033 ( 0.738 -0.954 -1.186) 1.692 17.033 ( 0.738 0.954 -1.186) 1.692 17.196 ( 0.537 -3.367 -3.254) 4.713 17.196 ( 0.537 3.367 -3.254) 4.713 17.293 ( 1.049 -3.927 -1.007) 4.187 17.293 ( 1.049 3.927 -1.007) 4.187 17.463 ( 0.310 -3.750 3.621) 5.222 17.463 ( 0.310 3.750 3.621) 5.222 17.600 ( -1.259 -1.011 -0.921) 1.859 17.600 ( -1.259 1.011 -0.921) 1.859 17.792 ( -1.042 -1.503 -0.997) 2.083 17.792 ( -1.042 1.503 -0.997) 2.083 17.839 ( -1.498 -1.303 -3.402) 3.939 17.839 ( -1.498 1.303 -3.402) 3.939 18.046 ( -1.267 -2.897 5.493) 6.338 18.046 ( -1.267 2.897 5.493) 6.338 18.119 ( -1.863 -3.797 2.835) 5.092 18.119 ( -1.863 3.797 2.835) 5.092 18.325 ( 0.677 -1.168 -4.525) 4.722 18.325 ( 0.677 1.168 -4.525) 4.722 18.399 ( -0.926 -3.154 5.268) 6.210 18.399 ( -0.926 3.154 5.268) 6.210 18.711 ( -0.062 -1.330 0.973) 1.649 18.711 ( -0.062 1.330 0.973) 1.649 20.509 ( 17.042 -0.492 0.475) 17.056 20.509 ( 17.042 0.492 0.475) 17.056 20.534 ( 17.184 -0.559 1.391) 17.249 20.534 ( 17.184 0.559 1.391) 17.249 21.029 ( 24.975 -18.053 -10.280) 32.486 21.029 ( 24.975 18.053 -10.280) 32.486 22.016 ( -5.655 -0.522 0.503) 5.701 22.016 ( -5.655 0.522 0.503) 5.701 22.047 ( -5.791 -0.509 1.969) 6.138 22.047 ( -5.791 0.509 1.969) 6.138 22.077 ( -4.456 -1.148 -2.585) 5.278 22.077 ( -4.456 1.148 -2.585) 5.278 26.926 ( 0.268 -0.841 0.366) 0.956 26.926 ( 0.268 0.841 0.366) 0.956 27.033 ( 0.488 -0.092 -0.052) 0.500 27.033 ( 0.488 0.092 -0.052) 0.500 27.455 ( -0.686 -1.596 0.291) 1.761 27.455 ( -0.686 1.596 0.291) 1.761 27.536 ( -1.202 -0.355 -0.253) 1.279 27.536 ( -1.202 0.355 -0.253) 1.279 27.734 ( 0.191 -0.743 0.005) 0.767 27.734 ( 0.191 0.743 0.005) 0.767 27.853 ( -2.219 -0.400 0.579) 2.327 27.853 ( -2.219 0.400 0.579) 2.327 36.737 ( 4.310 -4.090 -2.164) 6.324 36.737 ( 4.310 4.090 -2.164) 6.324 36.961 ( 2.060 -0.383 1.921) 2.842 36.961 ( 2.060 0.383 1.921) 2.842 37.083 ( 3.434 -0.712 3.234) 4.770 37.083 ( 3.434 0.712 3.234) 4.770 37.230 ( 2.425 -3.687 12.922) 13.654 37.230 ( 2.425 3.687 12.922) 13.654 37.399 ( 6.090 -2.483 -3.223) 7.324 37.399 ( 6.090 2.483 -3.223) 7.324 37.850 ( 3.534 -5.599 3.963) 7.716 37.850 ( 3.534 5.599 3.963) 7.716 38.108 ( 7.768 -2.429 -1.232) 8.231 38.108 ( 7.768 2.429 -1.232) 8.231 38.373 ( -7.289 -13.886 -9.230) 18.197 38.373 ( -7.289 13.886 -9.230) 18.197 38.632 ( -3.765 -14.308 -4.803) 15.556 38.632 ( -3.765 14.308 -4.803) 15.556 39.504 ( -33.733 -26.939 9.963) 44.304 39.504 ( -33.733 26.939 9.963) 44.304 39.886 ( -18.843 -11.789 0.906) 22.246 39.886 ( -18.843 11.789 0.906) 22.246 40.168 ( -23.162 -4.105 2.850) 23.695 40.168 ( -23.162 4.105 2.850) 23.695 ======================= Grid point 24 (14/84) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 16.687 -7.696 14.432) 23.366 1.802 ( 16.687 7.696 14.432) 23.366 2.038 ( 14.197 -10.098 10.445) 20.313 2.038 ( 14.197 10.098 10.445) 20.313 2.341 ( 2.538 -3.688 1.267) 4.653 2.341 ( 2.538 3.688 1.267) 4.653 2.582 ( -2.424 -5.915 -8.798) 10.876 2.582 ( -2.424 5.915 -8.798) 10.876 2.726 ( -1.099 -3.884 -3.315) 5.224 2.726 ( -1.099 3.884 -3.315) 5.224 2.900 ( -7.349 -1.028 8.847) 11.547 2.900 ( -7.349 1.028 8.847) 11.547 3.061 ( -2.744 -4.274 1.337) 5.252 3.061 ( -2.744 4.274 1.337) 5.252 3.448 ( 3.773 -6.563 -1.661) 7.750 3.448 ( 3.773 6.563 -1.661) 7.750 3.502 ( -4.277 -9.822 1.518) 10.820 3.502 ( -4.277 9.822 1.518) 10.820 3.805 ( -1.980 -5.187 -6.743) 8.734 3.805 ( -1.980 5.187 -6.743) 8.734 3.888 ( 5.666 -0.671 3.013) 6.452 3.888 ( 5.666 0.671 3.013) 6.452 4.104 ( 6.305 -8.224 -0.990) 10.410 4.104 ( 6.305 8.224 -0.990) 10.410 4.348 ( -2.086 -4.059 -4.823) 6.640 4.348 ( -2.086 4.059 -4.823) 6.640 4.555 ( 1.650 -4.274 -3.470) 5.747 4.555 ( 1.650 4.274 -3.470) 5.747 4.780 ( 7.474 -4.205 -0.853) 8.619 4.780 ( 7.474 4.205 -0.853) 8.619 4.869 ( 4.554 -3.719 -1.771) 6.140 4.869 ( 4.554 3.719 -1.771) 6.140 5.102 ( 9.055 -2.673 0.195) 9.443 5.102 ( 9.055 2.673 0.195) 9.443 5.368 ( 1.660 -2.145 1.789) 3.250 5.368 ( 1.660 2.145 1.789) 3.250 5.468 ( 5.077 -4.553 -2.976) 7.441 5.468 ( 5.077 4.553 -2.976) 7.441 5.595 ( -2.838 -2.775 -1.132) 4.127 5.595 ( -2.838 2.775 -1.132) 4.127 5.811 ( 3.019 -1.758 1.485) 3.796 5.811 ( 3.019 1.758 1.485) 3.796 5.990 ( 6.138 -5.644 5.238) 9.847 5.990 ( 6.138 5.644 5.238) 9.847 6.104 ( -1.293 -6.763 -0.597) 6.911 6.104 ( -1.293 6.763 -0.597) 6.911 6.173 ( -0.621 -6.770 1.210) 6.906 6.173 ( -0.621 6.770 1.210) 6.906 6.496 ( 5.731 -1.505 -3.578) 6.922 6.496 ( 5.731 1.505 -3.578) 6.922 6.669 ( 11.281 -6.230 -0.880) 12.917 6.669 ( 11.281 6.230 -0.880) 12.917 6.814 ( -3.906 -5.327 0.516) 6.625 6.814 ( -3.906 5.327 0.516) 6.625 6.935 ( 2.275 -3.726 0.366) 4.381 6.935 ( 2.275 3.726 0.366) 4.381 7.075 ( 10.060 -6.567 1.738) 12.139 7.075 ( 10.060 6.567 1.738) 12.139 7.224 ( 8.402 -4.232 -4.921) 10.617 7.224 ( 8.402 4.232 -4.921) 10.617 7.395 ( 4.490 -7.321 5.413) 10.152 7.395 ( 4.490 7.321 5.413) 10.152 7.537 ( 4.154 -2.711 2.043) 5.365 7.537 ( 4.154 2.711 2.043) 5.365 7.658 ( 0.828 -2.764 2.792) 4.015 7.658 ( 0.828 2.764 2.792) 4.015 7.741 ( 8.624 -3.506 2.985) 9.776 7.741 ( 8.624 3.506 2.985) 9.776 7.829 ( 4.163 -3.186 0.543) 5.270 7.829 ( 4.163 3.186 0.543) 5.270 7.965 ( 3.711 -4.070 -1.849) 5.810 7.965 ( 3.711 4.070 -1.849) 5.810 8.140 ( 1.458 -3.235 -2.370) 4.268 8.140 ( 1.458 3.235 -2.370) 4.268 8.206 ( 2.910 -2.015 -6.522) 7.420 8.206 ( 2.910 2.015 -6.522) 7.420 8.319 ( 2.777 -2.372 -1.168) 3.834 8.319 ( 2.777 2.372 -1.168) 3.834 8.534 ( -0.051 -4.772 -5.336) 7.159 8.534 ( -0.051 4.772 -5.336) 7.159 8.583 ( -3.387 -3.924 1.856) 5.506 8.583 ( -3.387 3.924 1.856) 5.506 8.694 ( -3.148 -1.366 -0.376) 3.452 8.694 ( -3.148 1.366 -0.376) 3.452 8.876 ( -11.567 -4.061 -0.324) 12.263 8.876 ( -11.567 4.061 -0.324) 12.263 8.976 ( -0.397 -2.112 -0.130) 2.153 8.976 ( -0.397 2.112 -0.130) 2.153 9.017 ( 1.653 -4.366 -0.056) 4.669 9.017 ( 1.653 4.366 -0.056) 4.669 9.270 ( -2.551 -2.096 0.471) 3.335 9.270 ( -2.551 2.096 0.471) 3.335 9.358 ( -1.996 -1.655 0.469) 2.635 9.358 ( -1.996 1.655 0.469) 2.635 9.477 ( -1.821 -0.792 0.229) 1.998 9.477 ( -1.821 0.792 0.229) 1.998 9.524 ( -6.511 -5.710 -1.711) 8.828 9.524 ( -6.511 5.710 -1.711) 8.828 9.775 ( -6.945 -1.983 -1.792) 7.442 9.775 ( -6.945 1.983 -1.792) 7.442 9.948 ( -4.722 -3.173 -0.210) 5.692 9.948 ( -4.722 3.173 -0.210) 5.692 10.074 ( -4.646 -5.391 2.363) 7.499 10.074 ( -4.646 5.391 2.363) 7.499 10.284 ( -7.673 -0.550 -0.678) 7.723 10.284 ( -7.673 0.550 -0.678) 7.723 10.522 ( -6.659 -6.145 -1.421) 9.172 10.522 ( -6.659 6.145 -1.421) 9.172 10.827 ( -6.549 -4.643 7.884) 11.252 10.827 ( -6.549 4.643 7.884) 11.252 11.178 ( -2.245 -3.507 -3.507) 5.445 11.178 ( -2.245 3.507 -3.507) 5.445 11.446 ( -10.192 -3.545 -1.538) 10.900 11.446 ( -10.192 3.545 -1.538) 10.900 11.850 ( 2.096 -3.784 7.979) 9.076 11.850 ( 2.096 3.784 7.979) 9.076 12.541 ( 1.192 -0.596 -4.706) 4.891 12.541 ( 1.192 0.596 -4.706) 4.891 12.981 ( 0.638 -9.645 1.124) 9.731 12.981 ( 0.638 9.645 1.124) 9.731 13.907 ( -4.532 -2.702 1.092) 5.389 13.907 ( -4.532 2.702 1.092) 5.389 14.082 ( -2.505 -5.136 -3.639) 6.775 14.082 ( -2.505 5.136 -3.639) 6.775 14.502 ( 0.834 -2.979 2.655) 4.077 14.502 ( 0.834 2.979 2.655) 4.077 14.800 ( -2.365 -4.213 0.024) 4.831 14.800 ( -2.365 4.213 0.024) 4.831 16.170 ( 1.807 -0.320 -0.986) 2.083 16.170 ( 1.807 0.320 -0.986) 2.083 16.699 ( 1.186 -1.253 -0.877) 1.935 16.699 ( 1.186 1.253 -0.877) 1.935 17.039 ( 0.865 -1.109 -1.120) 1.798 17.039 ( 0.865 1.109 -1.120) 1.798 17.184 ( 0.450 -3.073 -1.949) 3.667 17.184 ( 0.450 3.073 -1.949) 3.667 17.317 ( 1.431 -3.647 -0.021) 3.917 17.317 ( 1.431 3.647 -0.021) 3.917 17.498 ( 0.426 -2.643 3.211) 4.180 17.498 ( 0.426 2.643 3.211) 4.180 17.576 ( -0.314 -1.720 -1.118) 2.075 17.576 ( -0.314 1.720 -1.118) 2.075 17.723 ( -3.303 -2.738 -2.467) 4.949 17.723 ( -3.303 2.738 -2.467) 4.949 17.825 ( 1.041 -0.938 -1.469) 2.031 17.825 ( 1.041 0.938 -1.469) 2.031 18.039 ( -2.724 -3.783 2.899) 5.490 18.039 ( -2.724 3.783 2.899) 5.490 18.133 ( 0.220 -3.481 3.758) 5.127 18.133 ( 0.220 3.481 3.758) 5.127 18.298 ( -0.388 -1.050 -2.746) 2.965 18.298 ( -0.388 1.050 -2.746) 2.965 18.425 ( 0.137 -3.098 2.595) 4.044 18.425 ( 0.137 3.098 2.595) 4.044 18.719 ( 0.005 -0.749 0.898) 1.170 18.719 ( 0.005 0.749 0.898) 1.170 20.868 ( 19.159 -1.347 0.083) 19.206 20.868 ( 19.159 1.347 0.083) 19.206 20.916 ( 19.493 -1.431 3.460) 19.849 20.916 ( 19.493 1.431 3.460) 19.849 21.338 ( 16.198 -12.092 -10.069) 22.583 21.338 ( 16.198 12.092 -10.069) 22.583 21.875 ( -8.434 -0.184 -1.109) 8.508 21.875 ( -8.434 0.184 -1.109) 8.508 21.925 ( -8.510 -1.582 -3.438) 9.313 21.925 ( -8.510 1.582 -3.438) 9.313 21.943 ( -7.970 -1.605 4.153) 9.129 21.943 ( -7.970 1.605 4.153) 9.129 26.933 ( 0.142 -0.685 0.301) 0.762 26.933 ( 0.142 0.685 0.301) 0.762 27.042 ( 0.467 -0.042 -0.061) 0.473 27.042 ( 0.467 0.042 -0.061) 0.473 27.447 ( -0.447 -1.193 0.296) 1.308 27.447 ( -0.447 1.193 0.296) 1.308 27.512 ( -0.943 -0.677 -0.472) 1.254 27.512 ( -0.943 0.677 -0.472) 1.254 27.737 ( 0.198 -0.343 -0.077) 0.404 27.737 ( 0.198 0.343 -0.077) 0.404 27.818 ( -1.706 -0.419 0.552) 1.842 27.818 ( -1.706 0.419 0.552) 1.842 36.808 ( 4.615 -2.902 -2.131) 5.854 36.808 ( 4.615 2.902 -2.131) 5.854 37.001 ( 0.297 -1.920 1.931) 2.740 37.001 ( 0.297 1.920 1.931) 2.740 37.207 ( 5.107 -2.331 6.429) 8.535 37.207 ( 5.107 2.331 6.429) 8.535 37.384 ( 2.638 -6.837 9.835) 12.265 37.384 ( 2.638 6.837 9.835) 12.265 37.503 ( 6.341 -3.249 -1.533) 7.288 37.503 ( 6.341 3.249 -1.533) 7.288 37.958 ( 5.566 -8.186 -0.506) 9.912 37.958 ( 5.566 8.186 -0.506) 9.912 38.155 ( -4.482 -5.068 -7.092) 9.802 38.155 ( -4.482 5.068 -7.092) 9.802 38.281 ( 8.199 -1.018 -0.787) 8.299 38.281 ( 8.199 1.018 -0.787) 8.299 38.532 ( -1.939 -9.338 -4.168) 10.408 38.532 ( -1.939 9.338 -4.168) 10.408 39.064 ( -20.068 -20.842 9.499) 30.452 39.064 ( -20.068 20.842 9.499) 30.452 39.481 ( -21.921 -7.887 -3.500) 23.558 39.481 ( -21.921 7.887 -3.500) 23.558 39.750 ( -21.985 -5.822 4.637) 23.211 39.750 ( -21.985 5.822 4.637) 23.211 ======================= Grid point 26 (15/84) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.087 ( 4.597 -1.502 2.683) 5.530 2.087 ( 4.597 1.502 2.683) 5.530 2.364 ( 9.118 -5.025 12.801) 16.500 2.364 ( 9.118 5.025 12.801) 16.500 2.452 ( 3.296 -1.189 -4.102) 5.395 2.452 ( 3.296 1.189 -4.102) 5.395 2.507 ( 3.243 -2.736 1.584) 4.529 2.507 ( 3.243 2.736 1.584) 4.529 2.636 ( -5.262 -4.567 -5.422) 8.829 2.636 ( -5.262 4.567 -5.422) 8.829 2.863 ( -4.491 -3.264 3.808) 6.733 2.863 ( -4.491 3.264 3.808) 6.733 3.031 ( 1.311 -5.744 1.796) 6.159 3.031 ( 1.311 5.744 1.796) 6.159 3.378 ( -2.960 -2.007 0.679) 3.640 3.378 ( -2.960 2.007 0.679) 3.640 3.488 ( -4.980 -3.696 -5.353) 8.192 3.488 ( -4.980 3.696 -5.353) 8.192 3.671 ( 1.054 -6.067 -2.490) 6.642 3.671 ( 1.054 6.067 -2.490) 6.642 4.020 ( 1.855 -3.736 1.208) 4.343 4.020 ( 1.855 3.736 1.208) 4.343 4.206 ( 2.092 -4.933 -0.772) 5.413 4.206 ( 2.092 4.933 -0.772) 5.413 4.261 ( 0.039 -10.806 -2.416) 11.073 4.261 ( 0.039 10.806 -2.416) 11.073 4.597 ( 2.054 -1.352 0.235) 2.471 4.597 ( 2.054 1.352 0.235) 2.471 4.863 ( 1.667 -3.882 -0.277) 4.233 4.863 ( 1.666 3.882 -0.277) 4.233 4.927 ( 2.923 -2.231 -1.794) 4.092 4.927 ( 2.923 2.231 -1.794) 4.092 5.257 ( 4.740 -3.189 1.271) 5.853 5.257 ( 4.740 3.189 1.271) 5.853 5.378 ( -0.471 -2.182 0.412) 2.270 5.378 ( -0.471 2.182 0.412) 2.270 5.492 ( -0.374 -0.921 -2.262) 2.471 5.492 ( -0.374 0.921 -2.262) 2.471 5.555 ( 0.062 -3.047 -0.490) 3.087 5.555 ( 0.062 3.047 -0.490) 3.087 5.851 ( 0.692 -1.766 0.337) 1.927 5.851 ( 0.692 1.766 0.337) 1.927 6.076 ( -0.421 -1.506 0.954) 1.832 6.076 ( -0.421 1.506 0.954) 1.832 6.128 ( 2.309 -1.867 -0.027) 2.969 6.128 ( 2.309 1.867 -0.027) 2.969 6.243 ( 3.682 -10.018 7.005) 12.766 6.243 ( 3.682 10.018 7.005) 12.766 6.485 ( -1.551 -2.848 -5.172) 6.104 6.485 ( -1.551 2.848 -5.172) 6.104 6.713 ( -1.590 -1.397 -0.999) 2.341 6.713 ( -1.590 1.397 -0.999) 2.341 6.798 ( 0.311 -3.513 1.347) 3.775 6.798 ( 0.311 3.513 1.347) 3.775 7.010 ( 3.100 -0.867 -2.016) 3.798 7.010 ( 3.100 0.867 -2.016) 3.798 7.293 ( 8.960 -1.663 1.012) 9.169 7.293 ( 8.960 1.663 1.012) 9.169 7.360 ( 5.933 -2.896 0.437) 6.617 7.360 ( 5.933 2.896 0.437) 6.617 7.508 ( 1.326 -2.992 5.874) 6.724 7.508 ( 1.326 2.992 5.874) 6.724 7.577 ( -1.499 -4.533 -0.235) 4.780 7.577 ( -1.499 4.533 -0.235) 4.780 7.670 ( 1.951 -4.719 -0.201) 5.110 7.670 ( 1.951 4.719 -0.201) 5.110 7.837 ( 1.331 -2.236 0.963) 2.775 7.837 ( 1.331 2.236 0.963) 2.775 7.946 ( 0.313 -0.556 -2.768) 2.841 7.946 ( 0.313 0.556 -2.768) 2.841 8.060 ( 8.254 -2.700 -3.162) 9.242 8.060 ( 8.254 2.700 -3.162) 9.242 8.145 ( 0.856 -1.857 0.585) 2.127 8.145 ( 0.856 1.857 0.585) 2.127 8.219 ( 4.180 -2.948 -0.169) 5.118 8.219 ( 4.180 2.948 -0.169) 5.118 8.358 ( -0.469 -1.495 -0.641) 1.693 8.358 ( -0.469 1.495 -0.641) 1.693 8.455 ( -6.011 -2.276 -0.947) 6.497 8.455 ( -6.011 2.277 -0.947) 6.497 8.522 ( -0.006 -2.553 -2.963) 3.911 8.522 ( -0.006 2.553 -2.963) 3.911 8.608 ( -4.255 -2.909 0.410) 5.171 8.608 ( -4.255 2.909 0.410) 5.171 8.754 ( -2.305 -2.153 2.340) 3.928 8.754 ( -2.305 2.153 2.340) 3.928 8.940 ( -0.447 -0.737 -0.643) 1.075 8.940 ( -0.447 0.737 -0.643) 1.075 9.073 ( 1.427 -7.041 0.391) 7.195 9.073 ( 1.427 7.041 0.391) 7.195 9.236 ( -0.579 -3.344 0.155) 3.397 9.236 ( -0.579 3.344 0.155) 3.397 9.310 ( -2.288 -6.085 0.668) 6.535 9.310 ( -2.288 6.085 0.668) 6.535 9.374 ( -3.772 -2.063 -3.186) 5.351 9.374 ( -3.772 2.063 -3.186) 5.351 9.497 ( -2.650 -2.113 2.695) 4.330 9.497 ( -2.650 2.113 2.695) 4.330 9.666 ( 1.734 -2.225 -2.010) 3.464 9.666 ( 1.734 2.225 -2.010) 3.464 9.830 ( -6.627 -2.946 -0.506) 7.270 9.830 ( -6.627 2.946 -0.506) 7.270 10.039 ( -0.308 -4.657 0.214) 4.673 10.039 ( -0.308 4.657 0.214) 4.673 10.186 ( -3.646 -1.425 2.407) 4.595 10.186 ( -3.646 1.425 2.407) 4.595 10.384 ( -3.364 -3.195 -2.647) 5.342 10.384 ( -3.364 3.195 -2.647) 5.342 10.793 ( -2.490 -2.518 3.189) 4.766 10.793 ( -2.490 2.518 3.189) 4.766 11.150 ( 1.758 -2.646 -2.830) 4.254 11.150 ( 1.758 2.646 -2.830) 4.254 11.288 ( -5.456 -5.825 0.896) 8.032 11.288 ( -5.456 5.825 0.896) 8.032 11.936 ( 1.053 -5.428 3.892) 6.761 11.936 ( 1.053 5.428 3.892) 6.761 12.526 ( 0.423 -0.951 -2.323) 2.545 12.526 ( 0.423 0.951 -2.323) 2.545 12.956 ( -1.493 -10.399 -0.562) 10.521 12.956 ( -1.493 10.399 -0.562) 10.521 13.885 ( -0.115 -7.094 1.326) 7.218 13.885 ( -0.115 7.094 1.326) 7.218 14.029 ( -0.890 -4.510 -1.645) 4.883 14.029 ( -0.890 4.510 -1.645) 4.883 14.543 ( 1.148 -2.709 1.319) 3.224 14.543 ( 1.148 2.709 1.319) 3.224 14.753 ( -1.746 -3.002 -0.354) 3.491 14.753 ( -1.746 3.002 -0.354) 3.491 16.189 ( 0.688 -0.400 -0.327) 0.860 16.189 ( 0.688 0.400 -0.327) 0.860 16.711 ( 0.513 -0.546 -0.391) 0.845 16.711 ( 0.513 0.546 -0.391) 0.845 17.047 ( 0.423 -0.768 -0.354) 0.945 17.047 ( 0.423 0.768 -0.354) 0.945 17.179 ( 0.162 -1.103 -0.755) 1.346 17.179 ( 0.162 1.103 -0.755) 1.346 17.338 ( 0.541 -2.645 0.085) 2.701 17.338 ( 0.541 2.645 0.085) 2.701 17.534 ( 0.376 -2.948 3.264) 4.414 17.534 ( 0.376 2.948 3.264) 4.414 17.566 ( 0.525 -2.692 -2.242) 3.543 17.566 ( 0.525 2.692 -2.242) 3.543 17.650 ( -2.140 -2.795 -1.153) 3.704 17.650 ( -2.140 2.795 -1.153) 3.704 17.836 ( 0.779 -0.876 -0.694) 1.363 17.836 ( 0.779 0.876 -0.694) 1.363 18.011 ( -1.449 -3.470 1.015) 3.895 18.011 ( -1.449 3.470 1.015) 3.895 18.168 ( 0.437 -2.502 1.993) 3.228 18.168 ( 0.437 2.502 1.993) 3.228 18.270 ( -0.451 -1.870 -1.349) 2.349 18.270 ( -0.451 1.870 -1.349) 2.349 18.443 ( 0.150 -3.147 0.757) 3.241 18.443 ( 0.150 3.147 0.757) 3.241 18.724 ( 0.008 -0.461 0.365) 0.588 18.724 ( 0.008 0.461 0.365) 0.588 21.222 ( 16.457 -0.857 -0.055) 16.479 21.222 ( 16.457 0.857 -0.055) 16.479 21.309 ( 16.722 -1.810 4.373) 17.378 21.309 ( 16.722 1.810 4.373) 17.378 21.459 ( -1.101 -4.134 -3.154) 5.315 21.459 ( -1.101 4.134 -3.154) 5.315 21.678 ( -12.126 -2.714 -4.658) 13.270 21.678 ( -12.126 2.714 -4.658) 13.270 21.737 ( -0.108 -1.661 -5.688) 5.926 21.737 ( -0.108 1.661 -5.688) 5.926 21.820 ( -9.080 -3.700 6.673) 11.860 21.820 ( -9.080 3.700 6.673) 11.860 26.937 ( 0.029 -0.426 0.111) 0.441 26.937 ( 0.029 0.426 0.111) 0.441 27.049 ( 0.189 -0.067 -0.027) 0.203 27.049 ( 0.189 0.067 -0.027) 0.203 27.443 ( -0.114 -0.878 0.157) 0.899 27.443 ( -0.114 0.878 0.157) 0.899 27.495 ( -0.385 -0.815 -0.276) 0.943 27.495 ( -0.385 0.815 -0.276) 0.943 27.739 ( 0.072 -0.777 -0.084) 0.784 27.739 ( 0.072 0.777 -0.084) 0.784 27.799 ( -0.619 -0.543 0.265) 0.865 27.799 ( -0.619 0.543 0.265) 0.865 36.867 ( 2.406 -1.242 -1.209) 2.965 36.867 ( 2.406 1.242 -1.209) 2.965 37.009 ( -0.567 -3.099 1.259) 3.393 37.009 ( -0.567 3.099 1.259) 3.393 37.367 ( 4.796 -4.422 7.314) 9.801 37.367 ( 4.796 4.422 7.314) 9.801 37.457 ( 0.681 -5.816 -0.778) 5.907 37.457 ( 0.681 5.816 -0.778) 5.907 37.558 ( -0.826 -2.021 -0.890) 2.358 37.558 ( -0.826 2.021 -0.890) 2.358 38.025 ( 3.324 -4.760 -1.283) 5.946 38.025 ( 3.324 4.760 -1.283) 5.946 38.130 ( 3.293 -9.284 -1.740) 10.003 38.130 ( 3.293 9.284 -1.740) 10.003 38.375 ( 0.746 -3.149 0.739) 3.319 38.375 ( 0.746 3.149 0.739) 3.319 38.524 ( 2.712 -7.146 -1.284) 7.750 38.524 ( 2.712 7.146 -1.284) 7.750 38.878 ( -5.404 -10.634 2.969) 12.292 38.878 ( -5.404 10.634 2.969) 12.292 39.075 ( -12.628 -1.992 -3.126) 13.160 39.075 ( -12.628 1.992 -3.126) 13.160 39.436 ( -11.803 -4.703 2.669) 12.983 39.436 ( -11.803 4.703 2.669) 12.983 ======================= Grid point 45 (16/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( -0.946 0.000 23.591) 23.610 0.549 ( 2.977 0.000 27.169) 27.332 1.284 ( 2.117 0.000 63.138) 63.173 1.776 ( -3.318 0.000 2.686) 4.269 2.000 ( 4.252 0.000 -0.433) 4.274 2.069 ( 3.194 0.000 -18.360) 18.636 2.215 ( 10.934 0.000 -7.278) 13.135 2.394 ( -0.269 0.000 -6.082) 6.088 2.487 ( 2.551 0.000 -16.258) 16.457 2.808 ( -5.568 0.000 0.769) 5.621 2.849 ( -0.867 0.000 5.265) 5.336 3.062 ( 3.218 0.000 1.208) 3.437 3.126 ( 2.164 0.000 -0.554) 2.233 3.315 ( 4.318 0.000 4.676) 6.365 3.419 ( 4.101 0.000 -8.123) 9.099 3.554 ( -5.150 0.000 -4.242) 6.672 3.687 ( 3.500 0.000 -3.312) 4.819 3.727 ( 3.862 0.000 -4.536) 5.957 3.800 ( -2.846 0.000 -0.576) 2.903 3.821 ( -1.319 0.000 2.536) 2.859 3.852 ( -4.376 0.000 -2.219) 4.907 3.889 ( -0.255 0.000 -0.536) 0.594 3.922 ( -2.239 0.000 12.020) 12.227 4.000 ( -3.483 0.000 2.963) 4.573 4.113 ( 2.013 0.000 -0.790) 2.162 4.213 ( -1.206 0.000 10.128) 10.200 4.407 ( 0.736 0.000 -7.759) 7.794 4.470 ( 2.442 0.000 -0.329) 2.464 4.479 ( 5.031 0.000 -2.792) 5.753 4.559 ( -3.568 0.000 1.874) 4.030 4.766 ( 0.443 0.000 -1.906) 1.957 4.776 ( 3.955 0.000 0.539) 3.991 4.881 ( -19.557 0.000 0.833) 19.575 4.914 ( -2.524 0.000 0.896) 2.679 5.012 ( 0.103 0.000 -1.669) 1.672 5.042 ( -6.413 0.000 5.447) 8.414 5.289 ( -0.433 0.000 -3.566) 3.593 5.345 ( 11.438 0.000 -0.112) 11.439 5.409 ( 0.479 0.000 7.424) 7.439 5.491 ( -0.101 0.000 -1.837) 1.840 5.656 ( -3.326 0.000 1.421) 3.617 5.671 ( -2.699 0.000 4.351) 5.120 5.724 ( -3.098 0.000 2.662) 4.085 5.790 ( 1.849 0.000 3.082) 3.594 5.900 ( -4.045 0.000 -0.757) 4.116 5.902 ( 3.486 0.000 2.088) 4.064 6.152 ( 1.049 0.000 1.945) 2.210 6.166 ( 1.093 0.000 0.728) 1.314 6.219 ( -1.229 0.000 -0.167) 1.240 6.239 ( 3.526 0.000 -3.639) 5.067 6.289 ( 1.046 0.000 -2.398) 2.616 6.405 ( 0.016 0.000 -4.323) 4.323 6.428 ( -2.024 0.000 -1.295) 2.402 6.598 ( -4.824 0.000 -1.309) 4.998 6.831 ( 6.520 0.000 5.819) 8.739 6.856 ( 0.071 0.000 2.253) 2.254 6.976 ( 2.201 0.000 1.654) 2.754 6.985 ( -0.054 0.000 -1.774) 1.775 7.118 ( -0.070 0.000 -1.501) 1.502 7.244 ( -3.216 0.000 -1.795) 3.683 7.245 ( 0.512 0.000 -4.653) 4.681 7.278 ( -1.352 0.000 -3.226) 3.498 7.325 ( -8.267 0.000 -3.718) 9.065 7.411 ( -13.630 0.000 -5.954) 14.874 7.420 ( 3.449 0.000 1.699) 3.845 7.474 ( 1.428 0.000 -1.299) 1.931 7.594 ( -1.973 0.000 -2.045) 2.842 7.616 ( 0.153 0.000 -4.586) 4.589 7.694 ( -0.478 0.000 6.122) 6.140 7.810 ( 3.252 0.000 11.813) 12.252 7.827 ( -0.918 0.000 5.101) 5.183 7.878 ( -1.491 0.000 4.998) 5.216 7.906 ( 4.004 0.000 -2.567) 4.757 8.154 ( 1.041 0.000 -2.890) 3.072 8.178 ( 3.101 0.000 3.638) 4.780 8.245 ( -2.931 0.000 -1.917) 3.502 8.262 ( -3.908 0.000 0.234) 3.915 8.373 ( -1.663 0.000 -8.584) 8.743 8.393 ( -2.234 0.000 6.703) 7.066 8.504 ( 2.508 0.000 -1.710) 3.035 8.618 ( 0.284 0.000 -3.070) 3.083 8.633 ( -0.486 0.000 -2.918) 2.958 8.706 ( -2.276 0.000 0.225) 2.287 8.867 ( -0.738 0.000 -3.100) 3.186 8.897 ( 4.185 0.000 3.705) 5.590 9.005 ( -1.756 0.000 -4.407) 4.744 9.086 ( 0.453 0.000 0.507) 0.680 9.100 ( -0.680 0.000 -8.345) 8.373 9.164 ( -2.554 0.000 -4.489) 5.165 9.247 ( -0.596 0.000 -1.691) 1.793 9.315 ( -0.112 0.000 -0.908) 0.915 9.348 ( -1.799 0.000 1.010) 2.063 9.397 ( 0.012 0.000 -6.790) 6.790 9.429 ( 2.108 0.000 -5.165) 5.579 9.619 ( 2.206 0.000 -0.479) 2.258 9.648 ( 7.683 0.000 0.875) 7.732 9.659 ( -1.096 0.000 3.605) 3.768 9.796 ( -2.265 0.000 -5.453) 5.905 9.863 ( 0.201 0.000 0.745) 0.772 9.878 ( 4.581 0.000 5.361) 7.051 9.972 ( -0.585 0.000 10.590) 10.606 10.057 ( -0.720 0.000 0.563) 0.914 10.124 ( 0.262 0.000 -1.654) 1.675 10.417 ( 1.274 0.000 0.986) 1.611 10.421 ( 4.109 0.000 7.335) 8.407 10.722 ( -6.105 0.000 2.313) 6.529 11.069 ( -4.192 0.000 -4.492) 6.144 11.088 ( 5.168 0.000 -7.657) 9.238 11.102 ( -0.449 0.000 -0.182) 0.484 11.239 ( 5.548 0.000 -0.123) 5.550 11.270 ( 0.631 0.000 -3.139) 3.202 11.440 ( -0.923 0.000 2.770) 2.919 11.655 ( -0.526 0.000 0.952) 1.087 11.936 ( -17.875 0.000 1.647) 17.950 12.019 ( -14.391 0.000 1.162) 14.438 12.144 ( 15.865 0.000 7.212) 17.427 12.378 ( -2.596 0.000 1.191) 2.856 12.488 ( -1.357 0.000 -0.477) 1.439 12.696 ( -5.602 0.000 -1.575) 5.819 12.949 ( 49.876 0.000 -2.046) 49.918 13.626 ( -1.527 0.000 4.920) 5.151 14.297 ( 1.485 0.000 1.773) 2.313 14.321 ( -0.768 0.000 -1.133) 1.368 14.449 ( -0.953 0.000 -0.299) 0.999 14.576 ( -0.751 0.000 5.597) 5.647 14.579 ( 0.089 0.000 -7.957) 7.957 14.671 ( 0.271 0.000 -4.415) 4.423 14.913 ( -0.701 0.000 -1.305) 1.481 16.125 ( -1.803 0.000 -1.907) 2.625 16.455 ( -9.849 0.000 -6.497) 11.799 16.462 ( 1.074 0.000 -8.483) 8.551 16.545 ( 3.467 0.000 -4.134) 5.396 16.930 ( -0.429 0.000 -2.697) 2.731 17.085 ( -1.828 0.000 0.545) 1.908 17.091 ( 0.397 0.000 -13.953) 13.958 17.245 ( -3.862 0.000 4.281) 5.765 17.280 ( 2.584 0.000 -3.170) 4.090 17.393 ( -1.843 0.000 3.829) 4.250 17.457 ( 1.506 0.000 1.170) 1.907 17.473 ( 0.833 0.000 3.956) 4.043 17.542 ( 0.741 0.000 -4.071) 4.138 17.731 ( 1.663 0.000 0.892) 1.888 17.770 ( -0.662 0.000 0.139) 0.677 17.821 ( 1.101 0.000 3.749) 3.908 17.852 ( -1.976 0.000 -0.388) 2.014 17.906 ( -0.325 0.000 -1.362) 1.401 17.965 ( -3.863 0.000 -5.950) 7.094 18.033 ( 0.131 0.000 4.491) 4.493 18.160 ( 1.322 0.000 5.348) 5.509 18.212 ( 0.559 0.000 -0.690) 0.888 18.299 ( 0.831 0.000 5.736) 5.796 18.326 ( -0.223 0.000 0.015) 0.223 18.444 ( -1.165 0.000 2.933) 3.156 18.649 ( 0.752 0.000 -1.017) 1.265 18.698 ( -2.902 0.000 9.604) 10.033 18.811 ( -1.890 0.000 4.402) 4.791 20.116 ( 0.444 0.000 -0.516) 0.681 20.116 ( -3.737 0.000 -0.478) 3.768 20.144 ( 0.028 0.000 -0.074) 0.079 20.144 ( 2.196 0.000 -0.109) 2.199 20.159 ( 0.270 0.000 0.537) 0.601 20.159 ( -0.364 0.000 0.517) 0.632 22.108 ( 0.589 0.000 0.432) 0.731 22.120 ( 0.238 0.000 -0.654) 0.696 22.133 ( 0.697 0.000 -0.703) 0.990 22.149 ( 0.365 0.000 -0.241) 0.437 22.172 ( -0.607 0.000 1.153) 1.303 22.182 ( -1.633 0.000 1.279) 2.074 26.903 ( -0.263 0.000 0.613) 0.667 26.951 ( -0.176 0.000 1.821) 1.830 27.020 ( 0.034 0.000 -0.605) 0.606 27.028 ( -0.126 0.000 0.206) 0.241 27.450 ( -0.448 0.000 1.767) 1.823 27.531 ( -0.748 0.000 1.030) 1.273 27.569 ( -0.134 0.000 0.824) 0.835 27.579 ( -0.500 0.000 0.898) 1.028 27.668 ( 1.163 0.000 -1.258) 1.713 27.748 ( 0.597 0.000 -1.956) 2.045 27.898 ( 0.178 0.000 0.539) 0.568 27.919 ( 0.289 0.000 0.003) 0.289 36.520 ( 0.744 0.000 -0.748) 1.054 36.709 ( 1.334 0.000 -6.632) 6.765 36.886 ( 0.201 0.000 4.371) 4.375 36.942 ( 0.709 0.000 2.049) 2.169 37.011 ( -0.006 0.000 5.831) 5.831 37.046 ( -0.314 0.000 8.042) 8.048 37.101 ( -0.855 0.000 1.635) 1.845 37.256 ( -1.312 0.000 -1.674) 2.127 37.379 ( -2.143 0.000 3.715) 4.288 37.436 ( 1.047 0.000 0.684) 1.250 37.756 ( -1.147 0.000 6.974) 7.068 37.799 ( 1.378 0.000 -1.080) 1.751 37.912 ( 0.012 0.000 1.994) 1.994 37.983 ( -0.181 0.000 2.644) 2.650 38.070 ( -1.468 0.000 -3.234) 3.552 38.363 ( -0.702 0.000 -8.036) 8.067 38.932 ( 0.439 0.000 -18.839) 18.844 39.336 ( -0.645 0.000 -18.081) 18.092 39.782 ( 2.912 0.000 14.807) 15.091 39.933 ( 0.811 0.000 11.939) 11.967 40.492 ( -2.266 0.000 -1.302) 2.613 40.741 ( 1.216 0.000 -3.525) 3.729 40.944 ( -2.721 0.000 -0.771) 2.828 41.150 ( 10.981 0.000 -3.256) 11.454 ======================= Grid point 46 (17/84) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.959 ( 16.192 0.000 15.996) 22.761 1.020 ( 28.761 0.000 13.767) 31.886 1.825 ( 5.613 0.000 6.832) 8.842 1.843 ( 1.268 0.000 8.908) 8.998 2.006 ( 12.447 0.000 27.546) 30.228 2.121 ( 6.764 0.000 2.037) 7.065 2.304 ( 8.322 0.000 -17.783) 19.634 2.406 ( 7.369 0.000 -7.781) 10.717 2.520 ( 7.690 0.000 -1.939) 7.930 2.665 ( -8.980 0.000 -3.409) 9.605 2.794 ( -4.577 0.000 0.714) 4.633 3.046 ( -0.520 0.000 -1.634) 1.714 3.172 ( -1.823 0.000 2.318) 2.949 3.287 ( -10.908 0.000 -1.878) 11.068 3.360 ( -4.468 0.000 -3.968) 5.976 3.479 ( 8.560 0.000 -1.835) 8.755 3.561 ( -11.824 0.000 -2.640) 12.115 3.649 ( -7.777 0.000 4.569) 9.019 3.689 ( -2.688 0.000 -8.667) 9.075 3.848 ( -0.268 0.000 4.639) 4.647 3.901 ( 4.347 0.000 -7.337) 8.528 3.995 ( 9.156 0.000 -0.489) 9.169 4.120 ( 12.152 0.000 -2.658) 12.440 4.131 ( 6.832 0.000 1.696) 7.040 4.170 ( -1.698 0.000 3.181) 3.606 4.247 ( 9.596 0.000 1.342) 9.690 4.454 ( -4.330 0.000 0.650) 4.379 4.457 ( 3.653 0.000 -4.366) 5.692 4.515 ( 3.690 0.000 0.817) 3.780 4.540 ( 2.986 0.000 1.292) 3.254 4.728 ( 0.180 0.000 10.013) 10.015 4.756 ( -1.759 0.000 0.309) 1.786 4.866 ( 3.801 0.000 1.912) 4.255 5.013 ( 6.557 0.000 -0.302) 6.564 5.044 ( 3.896 0.000 -2.133) 4.441 5.090 ( 2.922 0.000 6.499) 7.126 5.213 ( -1.323 0.000 -8.727) 8.826 5.508 ( 4.050 0.000 2.044) 4.536 5.528 ( 2.462 0.000 6.451) 6.905 5.530 ( 10.289 0.000 -7.363) 12.652 5.617 ( -0.657 0.000 0.240) 0.700 5.679 ( -1.316 0.000 1.634) 2.098 5.797 ( 7.827 0.000 4.082) 8.828 5.856 ( 0.881 0.000 -0.548) 1.038 5.885 ( 6.196 0.000 -1.754) 6.440 5.957 ( -0.899 0.000 7.281) 7.336 6.137 ( -0.737 0.000 8.712) 8.743 6.186 ( -2.475 0.000 -8.282) 8.644 6.231 ( 3.753 0.000 -4.946) 6.209 6.299 ( 5.502 0.000 -3.769) 6.670 6.345 ( 7.508 0.000 -2.724) 7.986 6.479 ( 8.526 0.000 -1.286) 8.622 6.515 ( 15.076 0.000 -0.502) 15.084 6.545 ( -0.801 0.000 -0.688) 1.056 6.891 ( 1.026 0.000 5.065) 5.168 6.893 ( 0.311 0.000 2.216) 2.238 7.037 ( -1.767 0.000 3.841) 4.228 7.044 ( 6.208 0.000 -2.884) 6.845 7.123 ( -0.167 0.000 2.621) 2.626 7.156 ( -2.209 0.000 -5.072) 5.532 7.191 ( 0.781 0.000 -5.906) 5.958 7.235 ( -0.863 0.000 -1.456) 1.693 7.287 ( -0.111 0.000 1.009) 1.015 7.306 ( 7.221 0.000 -1.972) 7.485 7.499 ( 5.830 0.000 -6.378) 8.641 7.519 ( 1.444 0.000 -1.502) 2.083 7.534 ( -0.559 0.000 1.926) 2.005 7.646 ( 6.425 0.000 -0.639) 6.457 7.776 ( 3.423 0.000 5.176) 6.206 7.848 ( -2.267 0.000 4.371) 4.924 7.880 ( -0.942 0.000 4.236) 4.340 7.945 ( 1.328 0.000 7.888) 7.999 7.978 ( 4.297 0.000 -1.788) 4.654 8.077 ( -3.129 0.000 -7.108) 7.767 8.180 ( -3.614 0.000 -4.628) 5.872 8.218 ( 0.403 0.000 -5.304) 5.319 8.300 ( 4.073 0.000 4.397) 5.994 8.306 ( 1.243 0.000 1.965) 2.325 8.424 ( 1.017 0.000 5.243) 5.340 8.551 ( 1.759 0.000 1.754) 2.484 8.603 ( -2.424 0.000 -0.283) 2.440 8.612 ( 2.119 0.000 -4.904) 5.342 8.654 ( -2.136 0.000 0.603) 2.219 8.810 ( -2.471 0.000 -2.274) 3.358 8.929 ( -1.627 0.000 -3.282) 3.663 8.961 ( -3.047 0.000 -13.886) 14.216 9.008 ( 2.088 0.000 5.576) 5.954 9.076 ( -4.839 0.000 0.172) 4.842 9.106 ( 1.526 0.000 2.383) 2.829 9.228 ( 1.830 0.000 -2.879) 3.412 9.251 ( -4.503 0.000 -5.314) 6.966 9.309 ( -2.594 0.000 -4.128) 4.875 9.322 ( -2.881 0.000 0.874) 3.010 9.416 ( -0.651 0.000 -4.127) 4.178 9.626 ( -4.066 0.000 1.569) 4.358 9.630 ( -0.548 0.000 -0.899) 1.053 9.710 ( -3.755 0.000 -0.842) 3.848 9.724 ( 0.996 0.000 -4.177) 4.294 9.868 ( -0.329 0.000 0.875) 0.935 9.963 ( -0.168 0.000 1.475) 1.485 10.001 ( -3.923 0.000 8.567) 9.422 10.047 ( -1.283 0.000 1.835) 2.238 10.176 ( 4.877 0.000 1.725) 5.173 10.409 ( -2.690 0.000 -1.350) 3.009 10.543 ( 1.399 0.000 6.498) 6.646 10.552 ( -9.809 0.000 -1.455) 9.916 10.886 ( -10.742 0.000 -2.464) 11.021 11.001 ( -9.016 0.000 -1.212) 9.097 11.081 ( -15.727 0.000 -1.791) 15.828 11.086 ( 0.764 0.000 -6.381) 6.427 11.289 ( -3.756 0.000 -1.033) 3.895 11.357 ( -9.621 0.000 5.207) 10.940 11.663 ( 0.629 0.000 -1.584) 1.704 11.718 ( -6.121 0.000 10.872) 12.476 11.877 ( -3.406 0.000 8.242) 8.918 12.262 ( -11.804 0.000 2.358) 12.037 12.459 ( -0.344 0.000 -1.406) 1.448 12.529 ( 15.986 0.000 5.586) 16.934 12.561 ( -2.969 0.000 -7.890) 8.430 13.460 ( 14.442 0.000 -12.915) 19.375 13.646 ( -1.132 0.000 5.719) 5.830 14.254 ( -3.413 0.000 -3.566) 4.936 14.309 ( -2.778 0.000 3.564) 4.519 14.323 ( -14.422 0.000 -5.024) 15.272 14.390 ( -3.816 0.000 -0.968) 3.937 14.595 ( -1.849 0.000 5.568) 5.867 14.677 ( 2.297 0.000 -5.417) 5.884 14.903 ( 0.001 0.000 1.236) 1.236 16.094 ( 0.950 0.000 -3.186) 3.325 16.226 ( -7.101 0.000 2.908) 7.674 16.446 ( 4.090 0.000 -7.530) 8.569 16.585 ( 4.274 0.000 -5.042) 6.609 16.926 ( 1.623 0.000 -0.979) 1.896 17.019 ( 1.693 0.000 -7.779) 7.961 17.052 ( -1.162 0.000 0.089) 1.166 17.209 ( -2.220 0.000 3.793) 4.395 17.307 ( 2.328 0.000 -2.337) 3.299 17.385 ( -2.653 0.000 4.680) 5.380 17.467 ( 0.594 0.000 -2.534) 2.603 17.514 ( 0.078 0.000 3.925) 3.926 17.547 ( 1.815 0.000 -1.465) 2.332 17.708 ( -3.860 0.000 3.122) 4.964 17.745 ( -1.285 0.000 -0.620) 1.426 17.808 ( -1.380 0.000 0.103) 1.383 17.837 ( -3.730 0.000 -5.096) 6.315 17.869 ( -0.270 0.000 -0.409) 0.490 17.887 ( 1.114 0.000 0.113) 1.119 18.072 ( -0.542 0.000 6.494) 6.517 18.200 ( -0.739 0.000 -1.694) 1.848 18.222 ( 0.926 0.000 5.147) 5.230 18.296 ( -2.094 0.000 -1.920) 2.841 18.365 ( 1.318 0.000 4.257) 4.456 18.437 ( -2.021 0.000 2.951) 3.577 18.657 ( 0.981 0.000 -0.927) 1.350 18.685 ( -6.283 0.000 10.001) 11.811 18.805 ( -2.362 0.000 4.030) 4.671 20.233 ( 10.831 0.000 -0.037) 10.831 20.239 ( 11.149 0.000 0.162) 11.151 20.270 ( 11.618 0.000 0.916) 11.654 20.282 ( 13.524 0.000 -0.359) 13.529 20.290 ( 12.388 0.000 -0.359) 12.393 20.665 ( 38.430 0.000 -26.025) 46.413 22.087 ( -3.059 0.000 -0.716) 3.142 22.098 ( -2.163 0.000 0.949) 2.362 22.111 ( -2.470 0.000 -1.057) 2.687 22.129 ( -1.901 0.000 -1.334) 2.322 22.147 ( -3.259 0.000 1.538) 3.604 22.157 ( -2.138 0.000 1.913) 2.868 26.909 ( 0.130 0.000 1.051) 1.059 26.962 ( -0.291 0.000 1.697) 1.722 27.016 ( 0.369 0.000 -1.107) 1.167 27.031 ( 0.119 0.000 0.323) 0.344 27.453 ( -0.899 0.000 2.012) 2.204 27.520 ( -1.218 0.000 0.785) 1.449 27.559 ( -1.565 0.000 0.909) 1.810 27.564 ( -1.379 0.000 0.630) 1.516 27.688 ( 1.662 0.000 -0.946) 1.912 27.740 ( 0.308 0.000 -2.058) 2.081 27.887 ( -1.611 0.000 0.589) 1.716 27.907 ( -1.493 0.000 0.151) 1.501 36.553 ( 3.083 0.000 -0.649) 3.150 36.701 ( 3.352 0.000 -6.363) 7.191 36.950 ( 2.411 0.000 4.156) 4.805 37.015 ( 4.013 0.000 4.875) 6.314 37.085 ( 2.971 0.000 4.922) 5.749 37.105 ( -0.175 0.000 8.076) 8.077 37.112 ( 0.784 0.000 1.660) 1.836 37.234 ( 0.891 0.000 -3.479) 3.591 37.404 ( 0.306 0.000 7.681) 7.687 37.498 ( 3.510 0.000 2.859) 4.527 37.749 ( -3.356 0.000 3.285) 4.696 37.843 ( 3.581 0.000 0.563) 3.625 37.968 ( 4.020 0.000 2.318) 4.641 38.029 ( -0.618 0.000 -0.229) 0.659 38.069 ( 4.605 0.000 4.492) 6.433 38.268 ( -1.558 0.000 -8.940) 9.075 38.688 ( -7.398 0.000 -19.729) 21.070 39.124 ( -5.335 0.000 -18.554) 19.306 39.845 ( -8.563 0.000 13.431) 15.929 39.941 ( -51.760 0.000 33.092) 61.434 39.958 ( -7.523 0.000 9.669) 12.251 40.563 ( -15.164 0.000 -7.140) 16.761 40.689 ( -21.446 0.000 -0.514) 21.452 40.739 ( -23.730 0.000 6.407) 24.579 ======================= Grid point 47 (18/84) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 17.445 0.000 8.199) 19.276 1.648 ( 24.900 0.000 11.014) 27.227 1.849 ( 5.153 0.000 -3.378) 6.162 2.102 ( 13.405 0.000 10.488) 17.020 2.267 ( 6.531 0.000 0.897) 6.592 2.304 ( 7.951 0.000 -13.314) 15.508 2.418 ( -7.410 0.000 -10.248) 12.646 2.484 ( 3.297 0.000 4.941) 5.940 2.522 ( 7.568 0.000 -3.828) 8.481 2.717 ( 7.022 0.000 20.199) 21.385 2.814 ( 7.296 0.000 3.292) 8.004 3.049 ( -5.800 0.000 0.941) 5.876 3.084 ( -7.466 0.000 0.797) 7.509 3.165 ( 5.269 0.000 -1.173) 5.398 3.287 ( -2.176 0.000 1.304) 2.536 3.330 ( -11.006 0.000 4.026) 11.719 3.539 ( -8.308 0.000 9.176) 12.379 3.566 ( -2.189 0.000 -9.812) 10.053 3.638 ( 8.556 0.000 -2.446) 8.899 3.803 ( -0.774 0.000 -4.431) 4.498 3.869 ( -0.834 0.000 -9.187) 9.225 3.990 ( -7.865 0.000 -2.064) 8.131 4.121 ( -1.374 0.000 3.342) 3.613 4.280 ( 6.760 0.000 -6.328) 9.259 4.311 ( 0.504 0.000 -2.179) 2.237 4.390 ( 2.075 0.000 -3.863) 4.385 4.455 ( 4.220 0.000 4.878) 6.450 4.505 ( 10.938 0.000 2.528) 11.226 4.653 ( 0.795 0.000 2.731) 2.844 4.669 ( 7.006 0.000 4.252) 8.195 4.721 ( 4.552 0.000 -1.481) 4.787 4.857 ( 3.104 0.000 3.168) 4.435 5.000 ( 8.927 0.000 6.212) 10.875 5.089 ( 4.025 0.000 -7.080) 8.144 5.128 ( 7.219 0.000 -3.095) 7.854 5.187 ( 4.266 0.000 0.178) 4.270 5.219 ( 4.345 0.000 6.565) 7.873 5.517 ( -0.492 0.000 -5.862) 5.882 5.618 ( 1.779 0.000 1.276) 2.189 5.624 ( 5.316 0.000 -6.916) 8.723 5.680 ( 2.925 0.000 2.311) 3.727 5.690 ( 0.071 0.000 4.766) 4.767 5.907 ( 2.374 0.000 2.445) 3.408 5.932 ( 2.303 0.000 2.848) 3.663 5.986 ( 5.664 0.000 -4.986) 7.546 6.056 ( 3.599 0.000 4.990) 6.152 6.114 ( 5.818 0.000 0.757) 5.867 6.261 ( 6.016 0.000 -5.593) 8.214 6.329 ( 7.940 0.000 14.154) 16.229 6.396 ( 5.722 0.000 -3.289) 6.600 6.530 ( 1.766 0.000 -1.665) 2.427 6.532 ( 14.165 0.000 -2.403) 14.368 6.641 ( 8.294 0.000 -5.906) 10.182 6.802 ( 9.413 0.000 1.248) 9.495 6.951 ( 1.159 0.000 -0.222) 1.180 7.006 ( 1.966 0.000 2.643) 3.294 7.039 ( 2.707 0.000 -4.657) 5.386 7.052 ( 8.772 0.000 9.002) 12.569 7.126 ( -1.782 0.000 6.595) 6.832 7.130 ( 1.043 0.000 -7.179) 7.255 7.191 ( 1.145 0.000 -2.255) 2.529 7.265 ( 3.216 0.000 -3.730) 4.925 7.346 ( 6.271 0.000 1.579) 6.467 7.427 ( 9.114 0.000 -6.961) 11.468 7.559 ( 4.551 0.000 -0.484) 4.576 7.593 ( 7.557 0.000 2.719) 8.031 7.671 ( 9.863 0.000 2.641) 10.211 7.769 ( 1.992 0.000 0.243) 2.006 7.844 ( 0.596 0.000 4.699) 4.736 7.885 ( 3.480 0.000 0.088) 3.481 7.897 ( 0.144 0.000 0.849) 0.861 7.961 ( -1.215 0.000 1.815) 2.184 8.028 ( 2.094 0.000 -0.966) 2.306 8.038 ( 4.058 0.000 -0.059) 4.059 8.043 ( -4.027 0.000 -3.369) 5.250 8.198 ( 1.492 0.000 -2.631) 3.024 8.371 ( 1.452 0.000 1.705) 2.240 8.402 ( 1.348 0.000 -0.707) 1.522 8.496 ( 0.929 0.000 -0.455) 1.034 8.549 ( -3.432 0.000 9.637) 10.230 8.581 ( 0.129 0.000 -0.028) 0.132 8.598 ( -2.683 0.000 -3.144) 4.133 8.602 ( 0.842 0.000 -3.756) 3.850 8.751 ( -1.641 0.000 -0.318) 1.672 8.818 ( -2.250 0.000 -6.126) 6.526 8.898 ( -0.363 0.000 0.700) 0.789 8.969 ( -6.128 0.000 -1.909) 6.419 9.083 ( -6.469 0.000 -5.422) 8.441 9.086 ( 2.254 0.000 1.463) 2.687 9.151 ( 0.439 0.000 1.509) 1.571 9.237 ( -2.642 0.000 -0.973) 2.815 9.241 ( -4.357 0.000 0.142) 4.360 9.277 ( 3.817 0.000 -0.065) 3.818 9.346 ( -2.603 0.000 -3.820) 4.623 9.534 ( -6.884 0.000 0.022) 6.884 9.578 ( -2.944 0.000 -4.104) 5.051 9.633 ( -4.606 0.000 3.283) 5.656 9.643 ( -4.667 0.000 -3.771) 6.000 9.860 ( -2.586 0.000 0.458) 2.626 9.906 ( -4.067 0.000 -1.593) 4.367 9.987 ( -4.823 0.000 6.605) 8.178 10.021 ( -3.194 0.000 0.668) 3.263 10.265 ( -9.750 0.000 2.007) 9.954 10.269 ( 2.521 0.000 -0.642) 2.602 10.412 ( -2.630 0.000 -4.330) 5.066 10.518 ( -9.113 0.000 0.488) 9.126 10.618 ( -16.628 0.000 1.495) 16.696 10.744 ( -14.056 0.000 -3.480) 14.480 10.807 ( -7.263 0.000 1.271) 7.373 11.011 ( -4.051 0.000 -4.572) 6.108 11.129 ( -9.397 0.000 -2.898) 9.834 11.236 ( -5.459 0.000 4.083) 6.817 11.608 ( -4.245 0.000 -4.463) 6.159 11.741 ( -0.844 0.000 7.044) 7.094 11.976 ( -17.865 0.000 2.166) 17.996 11.981 ( 3.134 0.000 12.009) 12.412 12.460 ( 1.549 0.000 -2.835) 3.231 12.484 ( 0.868 0.000 -4.490) 4.573 12.784 ( 6.499 0.000 -0.218) 6.503 13.482 ( -0.631 0.000 -7.852) 7.878 13.671 ( -1.368 0.000 5.859) 6.017 13.997 ( -10.747 0.000 -3.429) 11.280 14.239 ( -6.338 0.000 3.594) 7.286 14.240 ( 2.267 0.000 -3.935) 4.541 14.332 ( -2.028 0.000 0.054) 2.029 14.591 ( -2.722 0.000 3.825) 4.694 14.668 ( 1.289 0.000 -4.219) 4.411 14.906 ( -0.255 0.000 -0.900) 0.935 16.106 ( 2.411 0.000 -2.242) 3.292 16.185 ( -0.532 0.000 1.372) 1.472 16.492 ( 5.980 0.000 -5.659) 8.233 16.622 ( 3.863 0.000 -5.040) 6.350 16.965 ( 2.380 0.000 0.323) 2.402 17.030 ( 3.157 0.000 -1.689) 3.581 17.037 ( 0.232 0.000 -2.020) 2.033 17.219 ( -0.414 0.000 4.599) 4.617 17.321 ( 0.862 0.000 -2.361) 2.514 17.365 ( -3.148 0.000 4.433) 5.437 17.456 ( 0.768 0.000 -2.906) 3.006 17.540 ( -0.316 0.000 2.377) 2.398 17.576 ( 2.190 0.000 -0.980) 2.400 17.663 ( -2.821 0.000 0.994) 2.990 17.719 ( -3.781 0.000 -0.917) 3.891 17.725 ( 0.370 0.000 -1.033) 1.098 17.806 ( -0.917 0.000 1.068) 1.407 17.824 ( -2.120 0.000 -1.935) 2.870 17.920 ( 1.399 0.000 -1.123) 1.793 18.125 ( 0.052 0.000 7.306) 7.306 18.159 ( -1.508 0.000 -3.028) 3.383 18.222 ( -2.694 0.000 -3.966) 4.794 18.272 ( 0.838 0.000 2.895) 3.014 18.407 ( 0.350 0.000 1.832) 1.866 18.414 ( -2.701 0.000 2.677) 3.803 18.641 ( -6.364 0.000 9.644) 11.555 18.670 ( 1.093 0.000 -0.909) 1.422 18.788 ( -2.334 0.000 3.096) 3.877 20.517 ( 16.864 0.000 1.295) 16.914 20.520 ( 17.694 0.000 1.333) 17.744 20.586 ( 19.306 0.000 -2.107) 19.420 20.591 ( 18.595 0.000 -1.821) 18.684 20.626 ( 19.975 0.000 4.466) 20.469 21.054 ( 24.729 0.000 -23.193) 33.904 21.988 ( -6.639 0.000 -1.032) 6.719 22.016 ( -6.182 0.000 -1.642) 6.396 22.038 ( -5.319 0.000 1.355) 5.489 22.047 ( -5.139 0.000 -2.467) 5.700 22.077 ( -5.555 0.000 1.939) 5.883 22.126 ( -3.293 0.000 3.437) 4.760 26.923 ( 0.228 0.000 1.350) 1.369 26.966 ( -0.563 0.000 1.209) 1.334 27.018 ( 0.780 0.000 -1.241) 1.466 27.036 ( 0.309 0.000 0.013) 0.309 27.450 ( -1.046 0.000 2.070) 2.320 27.498 ( -1.447 0.000 0.520) 1.537 27.530 ( -2.016 0.000 0.836) 2.182 27.542 ( -1.301 0.000 0.515) 1.399 27.712 ( 1.645 0.000 -1.134) 1.998 27.728 ( 0.258 0.000 -1.942) 1.959 27.851 ( -2.267 0.000 0.226) 2.278 27.871 ( -2.196 0.000 0.167) 2.203 36.621 ( 4.644 0.000 -1.258) 4.811 36.729 ( 4.846 0.000 -6.554) 8.151 37.034 ( 2.713 0.000 3.220) 4.210 37.112 ( -0.432 0.000 6.983) 6.997 37.154 ( 2.237 0.000 -0.298) 2.256 37.195 ( 3.292 0.000 5.719) 6.599 37.233 ( 3.043 0.000 -4.290) 5.260 37.241 ( 8.957 0.000 7.349) 11.586 37.507 ( 2.517 0.000 9.489) 9.817 37.605 ( 4.629 0.000 3.684) 5.916 37.709 ( -2.297 0.000 1.668) 2.839 37.943 ( 4.928 0.000 2.631) 5.586 38.029 ( 1.729 0.000 -3.200) 3.637 38.110 ( 8.957 0.000 1.580) 9.095 38.175 ( -0.653 0.000 -6.657) 6.689 38.212 ( 4.016 0.000 6.822) 7.917 38.375 ( -7.880 0.000 -15.069) 17.005 38.845 ( -7.597 0.000 -17.550) 19.124 39.347 ( -38.319 0.000 34.361) 51.469 39.710 ( -14.534 0.000 7.972) 16.577 39.806 ( -14.635 0.000 6.230) 15.906 40.083 ( -25.259 0.000 -9.584) 27.016 40.160 ( -30.823 0.000 -2.908) 30.960 40.333 ( -23.755 0.000 3.684) 24.039 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.799 ( 19.602 0.000 7.156) 20.868 1.965 ( 9.851 0.000 -4.490) 10.826 2.157 ( 16.768 0.000 11.218) 20.175 2.207 ( -1.291 0.000 -11.610) 11.681 2.350 ( 6.029 0.000 -10.608) 12.201 2.355 ( 5.524 0.000 -7.499) 9.314 2.443 ( 8.581 0.000 5.215) 10.041 2.488 ( -1.471 0.000 3.662) 3.946 2.632 ( 2.348 0.000 4.820) 5.361 2.814 ( -3.531 0.000 -3.104) 4.702 2.930 ( -5.492 0.000 1.628) 5.728 2.954 ( -4.268 0.000 2.749) 5.077 2.979 ( -2.534 0.000 2.074) 3.274 3.162 ( -3.900 0.000 1.313) 4.115 3.256 ( -0.612 0.000 5.732) 5.764 3.370 ( 4.611 0.000 1.300) 4.791 3.452 ( -2.887 0.000 -4.260) 5.146 3.554 ( 2.246 0.000 8.327) 8.624 3.711 ( -7.551 0.000 -5.631) 9.419 3.767 ( -11.392 0.000 -0.617) 11.409 3.773 ( 6.397 0.000 2.925) 7.035 3.850 ( 7.961 0.000 -4.940) 9.369 4.139 ( 0.171 0.000 0.173) 0.243 4.201 ( -5.475 0.000 -6.584) 8.563 4.225 ( 0.690 0.000 -5.578) 5.620 4.519 ( 9.322 0.000 -0.504) 9.335 4.611 ( -1.384 0.000 1.116) 1.778 4.641 ( 1.838 0.000 15.078) 15.189 4.683 ( 7.227 0.000 -2.589) 7.676 4.813 ( 3.130 0.000 3.518) 4.709 4.882 ( 8.159 0.000 -1.369) 8.273 4.887 ( 0.889 0.000 0.293) 0.936 5.144 ( 6.670 0.000 -4.680) 8.148 5.158 ( 4.777 0.000 -0.498) 4.802 5.311 ( 4.395 0.000 5.856) 7.322 5.327 ( 7.924 0.000 2.009) 8.174 5.393 ( 11.929 0.000 5.076) 12.964 5.449 ( -1.426 0.000 -4.916) 5.119 5.569 ( -1.687 0.000 -9.487) 9.636 5.601 ( -3.644 0.000 -0.668) 3.705 5.726 ( 0.217 0.000 4.469) 4.474 5.767 ( 4.137 0.000 2.920) 5.064 5.968 ( 2.094 0.000 2.113) 2.975 5.993 ( 0.117 0.000 4.778) 4.780 6.066 ( -1.813 0.000 -1.018) 2.079 6.080 ( 3.769 0.000 2.537) 4.543 6.343 ( 10.489 0.000 7.642) 12.977 6.357 ( 7.469 0.000 -7.758) 10.769 6.429 ( 0.583 0.000 -3.559) 3.606 6.583 ( 4.839 0.000 9.522) 10.681 6.612 ( 5.695 0.000 -0.200) 5.698 6.701 ( 5.744 0.000 -7.501) 9.448 6.770 ( -3.558 0.000 -2.548) 4.376 6.849 ( 9.049 0.000 0.424) 9.059 6.936 ( 4.094 0.000 -4.345) 5.970 7.067 ( -1.029 0.000 5.534) 5.629 7.097 ( 4.419 0.000 1.470) 4.657 7.159 ( 7.210 0.000 0.464) 7.225 7.211 ( 5.675 0.000 -3.792) 6.826 7.289 ( 6.646 0.000 -2.649) 7.155 7.308 ( 13.895 0.000 4.911) 14.738 7.359 ( 3.606 0.000 9.278) 9.954 7.510 ( 12.442 0.000 -1.652) 12.552 7.569 ( 8.600 0.000 -4.958) 9.927 7.627 ( 2.641 0.000 -4.096) 4.874 7.739 ( -2.456 0.000 2.136) 3.255 7.748 ( 5.718 0.000 4.378) 7.201 7.845 ( 4.565 0.000 -3.588) 5.806 7.892 ( 2.693 0.000 -2.516) 3.685 7.917 ( 3.117 0.000 -1.084) 3.300 7.940 ( 2.662 0.000 1.128) 2.891 7.959 ( -1.387 0.000 0.452) 1.459 8.038 ( 2.564 0.000 3.959) 4.717 8.095 ( 4.322 0.000 3.587) 5.617 8.216 ( 0.201 0.000 -1.272) 1.288 8.231 ( -3.185 0.000 -5.854) 6.664 8.237 ( 6.510 0.000 -0.178) 6.513 8.363 ( 0.048 0.000 -0.421) 0.424 8.475 ( -4.768 0.000 2.384) 5.330 8.546 ( -0.093 0.000 0.734) 0.740 8.574 ( -0.292 0.000 0.563) 0.634 8.623 ( -1.966 0.000 6.952) 7.225 8.634 ( 3.545 0.000 0.748) 3.623 8.717 ( -3.085 0.000 0.547) 3.133 8.743 ( -3.494 0.000 -3.954) 5.277 8.811 ( -3.437 0.000 -1.186) 3.635 8.889 ( -3.994 0.000 2.647) 4.792 8.974 ( -2.065 0.000 -3.244) 3.846 9.087 ( -3.218 0.000 0.717) 3.297 9.124 ( 0.434 0.000 -3.021) 3.052 9.195 ( -2.319 0.000 1.522) 2.773 9.205 ( -0.897 0.000 1.425) 1.684 9.245 ( -7.781 0.000 -0.368) 7.790 9.378 ( -4.291 0.000 -4.183) 5.993 9.389 ( 5.670 0.000 0.210) 5.674 9.461 ( -1.003 0.000 -7.600) 7.666 9.539 ( -4.532 0.000 0.642) 4.577 9.604 ( -3.021 0.000 6.514) 7.181 9.720 ( -10.002 0.000 -2.019) 10.204 9.798 ( -5.974 0.000 -0.877) 6.038 9.919 ( -7.259 0.000 -1.055) 7.335 9.927 ( -4.904 0.000 2.862) 5.678 10.140 ( -7.651 0.000 3.262) 8.317 10.223 ( -11.420 0.000 -1.522) 11.521 10.265 ( -4.834 0.000 -5.857) 7.595 10.310 ( -8.780 0.000 -5.107) 10.157 10.356 ( -4.300 0.000 1.805) 4.664 10.540 ( -5.311 0.000 0.944) 5.394 10.777 ( -1.897 0.000 4.003) 4.430 10.873 ( -3.580 0.000 -5.587) 6.636 10.924 ( -7.583 0.000 -5.267) 9.233 11.204 ( -1.526 0.000 1.091) 1.876 11.445 ( -6.861 0.000 -4.312) 8.104 11.678 ( -13.070 0.000 0.428) 13.077 11.777 ( -0.804 0.000 4.455) 4.527 12.116 ( 0.253 0.000 8.374) 8.378 12.463 ( 1.861 0.000 -1.722) 2.535 12.516 ( 2.021 0.000 1.498) 2.516 12.777 ( -1.959 0.000 -5.103) 5.466 13.365 ( -4.479 0.000 -6.229) 7.672 13.688 ( -1.863 0.000 5.866) 6.154 13.900 ( 0.855 0.000 0.986) 1.305 14.161 ( -4.561 0.000 3.310) 5.636 14.254 ( 2.415 0.000 -5.060) 5.606 14.297 ( -1.702 0.000 0.325) 1.733 14.554 ( -3.052 0.000 1.261) 3.302 14.675 ( 2.539 0.000 -2.527) 3.582 14.872 ( -1.602 0.000 -2.871) 3.288 16.143 ( 2.392 0.000 -0.338) 2.416 16.196 ( 0.609 0.000 0.216) 0.646 16.571 ( 5.805 0.000 -3.737) 6.904 16.652 ( 3.007 0.000 -3.731) 4.792 17.014 ( 1.604 0.000 1.159) 1.979 17.028 ( 1.342 0.000 -3.095) 3.374 17.097 ( 3.641 0.000 1.229) 3.843 17.260 ( 0.089 0.000 5.391) 5.392 17.294 ( -1.446 0.000 -2.498) 2.886 17.343 ( -2.844 0.000 4.707) 5.500 17.451 ( 0.924 0.000 -2.514) 2.678 17.525 ( -2.078 0.000 -0.402) 2.117 17.612 ( 2.663 0.000 -2.207) 3.459 17.613 ( -0.974 0.000 -2.722) 2.891 17.693 ( -1.482 0.000 5.560) 5.754 17.750 ( 2.660 0.000 -0.908) 2.810 17.768 ( -2.185 0.000 -0.634) 2.276 17.794 ( -1.957 0.000 2.694) 3.329 17.920 ( 0.374 0.000 -2.438) 2.467 18.089 ( -1.415 0.000 -6.650) 6.799 18.143 ( -1.315 0.000 -4.561) 4.746 18.192 ( -0.260 0.000 7.981) 7.986 18.298 ( 0.451 0.000 0.030) 0.452 18.381 ( -2.589 0.000 2.146) 3.362 18.411 ( -0.327 0.000 -0.394) 0.512 18.602 ( -5.461 0.000 8.905) 10.446 18.682 ( 0.836 0.000 -0.871) 1.207 18.768 ( -1.896 0.000 1.990) 2.749 20.887 ( 19.112 0.000 2.032) 19.220 20.906 ( 19.983 0.000 1.825) 20.066 20.943 ( 19.413 0.000 -3.185) 19.673 20.946 ( 19.218 0.000 -1.918) 19.313 21.080 ( 20.129 0.000 8.550) 21.869 21.294 ( 17.666 0.000 -16.365) 24.082 21.810 ( -10.806 0.000 -1.376) 10.893 21.841 ( -10.225 0.000 -2.334) 10.488 21.886 ( -9.050 0.000 -3.433) 9.679 21.914 ( -8.769 0.000 1.685) 8.929 21.961 ( -8.318 0.000 2.304) 8.632 22.091 ( -4.010 0.000 5.544) 6.842 26.936 ( -0.012 0.000 1.259) 1.259 26.961 ( -0.701 0.000 0.714) 1.000 27.025 ( 0.968 0.000 -1.065) 1.439 27.041 ( 0.347 0.000 -0.415) 0.541 27.448 ( -0.867 0.000 1.883) 2.073 27.479 ( -0.804 0.000 0.445) 0.919 27.500 ( -1.693 0.000 0.896) 1.915 27.523 ( -1.122 0.000 0.644) 1.294 27.721 ( 0.570 0.000 -1.511) 1.615 27.732 ( 1.552 0.000 -1.455) 2.127 27.808 ( -2.063 0.000 -0.210) 2.074 27.831 ( -1.935 0.000 -0.086) 1.937 36.704 ( 5.228 0.000 -2.267) 5.698 36.777 ( 5.687 0.000 -6.777) 8.847 37.081 ( -1.825 0.000 4.731) 5.071 37.154 ( 0.560 0.000 3.820) 3.860 37.160 ( 1.021 0.000 -4.994) 5.098 37.249 ( 0.458 0.000 1.551) 1.617 37.348 ( 7.201 0.000 2.240) 7.542 37.516 ( 11.791 0.000 6.743) 13.583 37.611 ( -0.084 0.000 6.179) 6.180 37.722 ( 1.836 0.000 5.315) 5.623 37.730 ( 5.305 0.000 2.247) 5.762 37.934 ( -6.325 0.000 -11.761) 13.354 38.026 ( 1.250 0.000 -0.248) 1.274 38.188 ( 6.241 0.000 1.389) 6.393 38.206 ( 1.846 0.000 1.870) 2.627 38.338 ( 12.998 0.000 0.133) 12.999 38.403 ( 7.805 0.000 2.628) 8.235 38.584 ( -4.498 0.000 -12.730) 13.501 38.964 ( -27.243 0.000 23.977) 36.292 39.449 ( -16.238 0.000 3.073) 16.526 39.452 ( -29.000 0.000 -14.234) 32.305 39.515 ( -18.458 0.000 2.419) 18.615 39.566 ( -25.064 0.000 -3.293) 25.279 39.890 ( -23.489 0.000 1.393) 23.531 ======================= Grid point 49 (20/84) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.110 ( 0.592 0.000 -9.789) 9.807 2.116 ( 9.694 0.000 -5.056) 10.933 2.201 ( 13.093 0.000 1.533) 13.183 2.323 ( -1.554 0.000 -5.325) 5.547 2.330 ( -1.798 0.000 -7.449) 7.663 2.401 ( -4.115 0.000 1.041) 4.245 2.521 ( 6.341 0.000 3.037) 7.031 2.591 ( 2.885 0.000 -2.919) 4.105 2.650 ( -4.508 0.000 -8.068) 9.242 2.670 ( 3.814 0.000 1.614) 4.141 2.819 ( -3.459 0.000 -2.544) 4.294 2.860 ( -7.074 0.000 5.724) 9.099 2.915 ( -5.516 0.000 2.968) 6.264 3.178 ( -3.011 0.000 3.831) 4.872 3.328 ( 4.484 0.000 1.946) 4.889 3.361 ( -7.066 0.000 -4.061) 8.149 3.413 ( -0.507 0.000 2.587) 2.637 3.445 ( -4.746 0.000 -0.898) 4.830 3.607 ( 1.465 0.000 3.560) 3.850 3.841 ( 5.985 0.000 4.196) 7.310 3.919 ( 0.295 0.000 -1.537) 1.565 3.931 ( 8.068 0.000 0.595) 8.090 4.045 ( -3.798 0.000 1.266) 4.004 4.127 ( 1.869 0.000 -1.979) 2.723 4.284 ( 2.901 0.000 1.258) 3.162 4.582 ( 1.286 0.000 -0.445) 1.361 4.684 ( -4.419 0.000 1.785) 4.766 4.706 ( 2.098 0.000 0.615) 2.186 4.774 ( 7.013 0.000 -3.093) 7.665 4.837 ( -3.200 0.000 7.907) 8.530 4.956 ( 2.285 0.000 4.189) 4.771 4.983 ( 2.384 0.000 1.880) 3.036 5.230 ( 5.774 0.000 -4.687) 7.437 5.270 ( 6.969 0.000 1.068) 7.050 5.349 ( -3.052 0.000 2.678) 4.061 5.385 ( -0.956 0.000 -5.137) 5.226 5.456 ( 4.424 0.000 -5.334) 6.930 5.481 ( -6.445 0.000 4.148) 7.664 5.539 ( 3.224 0.000 5.733) 6.577 5.646 ( 3.745 0.000 1.171) 3.924 5.748 ( -1.250 0.000 2.101) 2.445 5.841 ( -1.630 0.000 -0.282) 1.655 5.966 ( 1.298 0.000 0.039) 1.299 6.015 ( 1.302 0.000 0.957) 1.616 6.080 ( -0.300 0.000 5.654) 5.662 6.141 ( 0.269 0.000 4.540) 4.548 6.401 ( 3.621 0.000 -7.450) 8.284 6.438 ( 2.782 0.000 2.280) 3.597 6.463 ( -10.028 0.000 -8.727) 13.294 6.583 ( 0.458 0.000 0.055) 0.461 6.631 ( -1.292 0.000 3.930) 4.137 6.646 ( 2.623 0.000 -8.452) 8.849 6.799 ( 6.694 0.000 -0.190) 6.697 7.006 ( 1.986 0.000 11.846) 12.011 7.074 ( -2.066 0.000 3.722) 4.257 7.082 ( 3.308 0.000 2.951) 4.433 7.258 ( 13.085 0.000 -2.111) 13.255 7.262 ( 2.039 0.000 -4.316) 4.774 7.385 ( 7.606 0.000 1.739) 7.802 7.386 ( 1.265 0.000 1.498) 1.961 7.411 ( -0.404 0.000 3.252) 3.277 7.508 ( -0.164 0.000 -1.817) 1.824 7.572 ( -5.285 0.000 1.423) 5.473 7.639 ( 5.697 0.000 -0.945) 5.775 7.690 ( -0.823 0.000 -0.336) 0.889 7.785 ( -4.874 0.000 -5.831) 7.600 7.830 ( 9.468 0.000 -5.025) 10.719 7.874 ( 4.669 0.000 -2.630) 5.359 7.908 ( -0.962 0.000 1.529) 1.807 7.925 ( 5.482 0.000 1.937) 5.814 7.983 ( 2.071 0.000 -1.300) 2.446 8.011 ( 5.326 0.000 -1.422) 5.512 8.124 ( 8.880 0.000 -3.594) 9.580 8.141 ( 0.010 0.000 -1.634) 1.634 8.180 ( 1.036 0.000 1.643) 1.942 8.222 ( 2.839 0.000 8.710) 9.161 8.341 ( -3.332 0.000 -0.403) 3.356 8.398 ( -0.697 0.000 2.700) 2.788 8.399 ( -5.134 0.000 3.810) 6.393 8.513 ( -5.214 0.000 2.307) 5.702 8.555 ( -2.287 0.000 -1.182) 2.574 8.636 ( 0.188 0.000 -3.354) 3.359 8.641 ( -4.116 0.000 2.240) 4.686 8.684 ( -1.922 0.000 3.909) 4.356 8.697 ( 3.907 0.000 0.525) 3.942 8.847 ( 1.852 0.000 0.335) 1.882 8.851 ( 3.214 0.000 0.465) 3.248 8.918 ( -4.592 0.000 0.315) 4.603 9.011 ( -5.350 0.000 1.961) 5.698 9.019 ( -7.634 0.000 5.945) 9.675 9.136 ( 2.611 0.000 -3.426) 4.308 9.231 ( 4.620 0.000 -2.037) 5.049 9.237 ( 3.835 0.000 -1.012) 3.966 9.327 ( -3.804 0.000 -5.665) 6.824 9.341 ( 1.470 0.000 -1.870) 2.378 9.454 ( -1.388 0.000 -0.481) 1.469 9.533 ( -4.599 0.000 -1.537) 4.849 9.580 ( -5.362 0.000 4.848) 7.229 9.625 ( 8.310 0.000 6.214) 10.376 9.688 ( -5.698 0.000 5.274) 7.765 9.754 ( -6.794 0.000 -2.325) 7.180 9.869 ( -2.027 0.000 -1.069) 2.292 9.979 ( -8.073 0.000 0.337) 8.080 9.991 ( -4.260 0.000 -4.286) 6.044 10.170 ( -1.982 0.000 -5.972) 6.293 10.191 ( -1.199 0.000 -5.313) 5.447 10.334 ( -0.471 0.000 1.576) 1.645 10.544 ( 0.860 0.000 7.118) 7.169 10.680 ( -2.570 0.000 -5.849) 6.389 10.773 ( -1.881 0.000 -7.888) 8.109 10.881 ( 2.351 0.000 -0.268) 2.366 11.157 ( -1.755 0.000 -1.359) 2.220 11.367 ( 0.767 0.000 -0.157) 0.783 11.484 ( -6.805 0.000 -0.535) 6.826 11.765 ( -2.567 0.000 -0.043) 2.567 12.066 ( -6.823 0.000 -3.944) 7.881 12.510 ( 2.237 0.000 3.200) 3.904 12.562 ( 0.476 0.000 3.124) 3.161 12.766 ( 3.349 0.000 1.754) 3.780 13.255 ( -1.314 0.000 -5.032) 5.200 13.698 ( -2.059 0.000 6.077) 6.416 13.939 ( 0.552 0.000 -0.756) 0.937 14.107 ( -3.384 0.000 1.367) 3.649 14.267 ( 3.259 0.000 -2.665) 4.210 14.281 ( -0.369 0.000 1.146) 1.204 14.505 ( -1.920 0.000 -0.778) 2.072 14.716 ( 2.949 0.000 -2.443) 3.830 14.807 ( -1.329 0.000 -4.299) 4.500 16.187 ( 1.421 0.000 1.722) 2.233 16.204 ( -0.070 0.000 0.249) 0.259 16.641 ( 3.676 0.000 -2.407) 4.394 16.675 ( 1.990 0.000 -2.726) 3.375 17.019 ( 0.730 0.000 -2.139) 2.260 17.060 ( 1.487 0.000 0.457) 1.556 17.176 ( 2.719 0.000 1.771) 3.245 17.240 ( -1.702 0.000 -1.779) 2.462 17.294 ( -1.214 0.000 4.825) 4.976 17.336 ( -2.528 0.000 5.820) 6.345 17.448 ( 1.018 0.000 -2.684) 2.871 17.489 ( -0.768 0.000 0.230) 0.802 17.582 ( 0.324 0.000 -3.605) 3.620 17.631 ( 3.324 0.000 -8.023) 8.684 17.730 ( -2.308 0.000 4.137) 4.737 17.733 ( 0.221 0.000 6.382) 6.385 17.779 ( -2.466 0.000 4.518) 5.147 17.808 ( 2.265 0.000 0.743) 2.384 17.910 ( 1.314 0.000 -3.378) 3.625 18.004 ( -0.904 0.000 -7.621) 7.674 18.088 ( -1.754 0.000 -1.711) 2.450 18.242 ( 0.938 0.000 2.181) 2.375 18.284 ( -0.706 0.000 -3.023) 3.105 18.359 ( -1.632 0.000 3.021) 3.434 18.393 ( -0.341 0.000 -2.372) 2.396 18.575 ( -4.705 0.000 8.408) 9.635 18.688 ( 0.526 0.000 -0.756) 0.921 18.748 ( -1.447 0.000 0.975) 1.745 21.233 ( 13.909 0.000 -0.559) 13.920 21.267 ( 16.064 0.000 -2.360) 16.236 21.285 ( 17.119 0.000 0.708) 17.133 21.302 ( 16.986 0.000 3.025) 17.254 21.460 ( 5.552 0.000 -7.435) 9.279 21.474 ( 8.487 0.000 6.279) 10.557 21.550 ( -14.507 0.000 -1.681) 14.605 21.608 ( -6.121 0.000 -5.694) 8.359 21.672 ( -5.835 0.000 -0.547) 5.861 21.733 ( -10.716 0.000 1.687) 10.848 21.801 ( -9.385 0.000 1.996) 9.595 22.066 ( -4.071 0.000 7.694) 8.705 26.940 ( -0.541 0.000 0.736) 0.914 26.955 ( -0.380 0.000 0.680) 0.779 27.036 ( 0.845 0.000 -0.685) 1.088 27.042 ( 0.252 0.000 -0.779) 0.819 27.447 ( -0.833 0.000 1.625) 1.826 27.475 ( -0.196 0.000 0.546) 0.580 27.483 ( -0.829 0.000 1.036) 1.327 27.513 ( -0.535 0.000 1.062) 1.189 27.727 ( 0.945 0.000 -0.684) 1.166 27.748 ( 1.409 0.000 -1.677) 2.190 27.774 ( -0.933 0.000 -0.747) 1.196 27.796 ( -1.368 0.000 -0.624) 1.503 36.779 ( 4.690 0.000 -3.140) 5.644 36.833 ( 5.741 0.000 -6.578) 8.731 37.042 ( -5.907 0.000 4.389) 7.359 37.131 ( 0.964 0.000 -6.157) 6.232 37.184 ( -0.249 0.000 2.003) 2.018 37.237 ( -2.825 0.000 0.594) 2.887 37.437 ( 0.424 0.000 -6.553) 6.567 37.624 ( -0.783 0.000 1.308) 1.524 37.656 ( -1.399 0.000 -7.025) 7.163 37.780 ( -4.021 0.000 6.147) 7.346 37.827 ( 2.089 0.000 2.693) 3.408 37.852 ( 6.588 0.000 7.451) 9.946 38.082 ( 3.977 0.000 5.569) 6.843 38.291 ( 0.879 0.000 -4.228) 4.318 38.307 ( 4.208 0.000 2.183) 4.740 38.562 ( 9.986 0.000 3.289) 10.514 38.573 ( 6.176 0.000 2.576) 6.692 38.630 ( 14.177 0.000 -0.802) 14.200 38.664 ( -19.816 0.000 13.658) 24.067 38.888 ( -12.990 0.000 -10.662) 16.805 39.174 ( -14.117 0.000 -2.529) 14.342 39.176 ( -10.671 0.000 -2.667) 10.999 39.179 ( -10.908 0.000 -3.435) 11.436 39.499 ( -14.322 0.000 -2.864) 14.606 ======================= Grid point 50 (21/84) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( -12.483 0.000 -6.400) 14.028 2.016 ( -17.752 0.000 -15.464) 23.543 2.218 ( 1.769 0.000 -3.014) 3.495 2.239 ( -3.585 0.000 -3.233) 4.828 2.267 ( 4.663 0.000 -4.543) 6.510 2.403 ( 2.317 0.000 -5.587) 6.049 2.469 ( -8.085 0.000 -8.684) 11.865 2.592 ( 1.831 0.000 -3.651) 4.084 2.672 ( 5.557 0.000 1.187) 5.682 2.716 ( -4.905 0.000 6.447) 8.101 2.779 ( 0.562 0.000 -0.781) 0.962 2.836 ( -3.712 0.000 2.560) 4.510 2.964 ( 12.533 0.000 4.577) 13.343 3.020 ( -11.651 0.000 2.168) 11.851 3.232 ( 2.974 0.000 -7.046) 7.648 3.358 ( -6.749 0.000 4.641) 8.191 3.496 ( 6.282 0.000 1.925) 6.570 3.520 ( 9.065 0.000 1.084) 9.130 3.681 ( -8.436 0.000 0.477) 8.450 3.822 ( 5.000 0.000 7.426) 8.952 3.841 ( -6.575 0.000 0.578) 6.600 4.078 ( 3.448 0.000 3.985) 5.270 4.111 ( -2.520 0.000 -4.546) 5.198 4.249 ( 12.708 0.000 6.399) 14.228 4.330 ( 0.099 0.000 5.703) 5.704 4.573 ( -2.208 0.000 -5.839) 6.243 4.584 ( -1.514 0.000 -7.005) 7.167 4.649 ( -4.921 0.000 1.944) 5.291 4.822 ( -3.472 0.000 4.095) 5.368 4.861 ( 1.575 0.000 -0.154) 1.583 5.002 ( -2.913 0.000 2.576) 3.889 5.009 ( -2.934 0.000 9.118) 9.579 5.244 ( -7.078 0.000 -3.993) 8.127 5.292 ( 3.203 0.000 -6.243) 7.017 5.343 ( -0.469 0.000 3.487) 3.519 5.367 ( -8.759 0.000 3.705) 9.511 5.404 ( 3.707 0.000 -0.937) 3.824 5.507 ( 4.102 0.000 -1.499) 4.367 5.609 ( -5.453 0.000 0.399) 5.468 5.656 ( 0.977 0.000 6.683) 6.754 5.737 ( 0.039 0.000 1.875) 1.875 5.741 ( -2.426 0.000 -0.543) 2.486 5.990 ( -4.548 0.000 -3.467) 5.718 6.004 ( -2.554 0.000 3.528) 4.356 6.139 ( -8.744 0.000 5.173) 10.159 6.159 ( 3.636 0.000 3.531) 5.068 6.256 ( 4.550 0.000 -9.040) 10.120 6.398 ( 1.354 0.000 -3.160) 3.438 6.437 ( -10.851 0.000 2.655) 11.171 6.546 ( 2.718 0.000 4.024) 4.856 6.629 ( 0.794 0.000 -3.706) 3.790 6.722 ( 1.268 0.000 0.976) 1.600 6.931 ( 6.142 0.000 4.530) 7.632 6.937 ( -7.823 0.000 -4.617) 9.084 7.052 ( -2.215 0.000 1.305) 2.571 7.189 ( -4.361 0.000 -7.214) 8.430 7.230 ( -7.930 0.000 1.449) 8.061 7.263 ( -5.481 0.000 3.359) 6.428 7.317 ( -8.802 0.000 2.606) 9.180 7.348 ( -0.878 0.000 6.920) 6.976 7.420 ( -3.999 0.000 3.905) 5.590 7.478 ( -6.047 0.000 -1.333) 6.193 7.518 ( 2.069 0.000 -3.337) 3.927 7.586 ( -4.283 0.000 -2.907) 5.177 7.662 ( -3.144 0.000 -1.078) 3.324 7.748 ( 6.629 0.000 -7.464) 9.982 7.809 ( -2.938 0.000 -1.096) 3.136 7.860 ( -4.646 0.000 -1.362) 4.842 7.987 ( 0.013 0.000 0.188) 0.189 8.028 ( -6.789 0.000 -2.748) 7.325 8.089 ( 0.799 0.000 5.944) 5.997 8.101 ( 0.750 0.000 2.607) 2.713 8.127 ( 10.642 0.000 -0.161) 10.643 8.155 ( 0.107 0.000 0.522) 0.533 8.187 ( -6.730 0.000 1.152) 6.828 8.235 ( -3.943 0.000 -4.004) 5.620 8.312 ( -0.297 0.000 -0.995) 1.039 8.412 ( 5.132 0.000 5.129) 7.256 8.460 ( -1.968 0.000 -5.445) 5.789 8.463 ( 3.952 0.000 3.274) 5.132 8.485 ( 1.289 0.000 8.212) 8.312 8.565 ( -5.687 0.000 -0.747) 5.736 8.654 ( 2.708 0.000 7.503) 7.977 8.728 ( 1.308 0.000 2.078) 2.455 8.730 ( 0.932 0.000 1.674) 1.916 8.799 ( 3.450 0.000 -3.352) 4.810 8.870 ( 0.503 0.000 -3.799) 3.832 8.927 ( -2.395 0.000 1.748) 2.965 9.033 ( 7.163 0.000 4.200) 8.304 9.048 ( 0.862 0.000 5.562) 5.628 9.142 ( -0.674 0.000 -2.717) 2.800 9.171 ( -3.832 0.000 -4.567) 5.962 9.294 ( 3.014 0.000 -2.265) 3.771 9.349 ( -1.620 0.000 2.982) 3.394 9.367 ( 7.481 0.000 -4.889) 8.937 9.480 ( 2.937 0.000 3.257) 4.386 9.530 ( 2.312 0.000 1.635) 2.832 9.564 ( -0.144 0.000 2.755) 2.758 9.665 ( 0.059 0.000 5.226) 5.227 9.666 ( 1.669 0.000 -1.146) 2.025 9.785 ( -2.952 0.000 -5.026) 5.828 9.830 ( 5.020 0.000 5.184) 7.216 9.921 ( 5.278 0.000 -2.395) 5.796 10.047 ( 9.119 0.000 -1.744) 9.284 10.114 ( 1.163 0.000 -5.654) 5.772 10.189 ( 9.087 0.000 -5.425) 10.583 10.361 ( 1.920 0.000 3.324) 3.838 10.617 ( -0.976 0.000 -5.768) 5.850 10.642 ( 1.885 0.000 7.846) 8.070 10.741 ( 5.831 0.000 -8.269) 10.118 10.870 ( -0.791 0.000 -6.058) 6.110 11.196 ( 5.609 0.000 1.897) 5.921 11.364 ( 0.271 0.000 -5.229) 5.236 11.495 ( 6.489 0.000 6.610) 9.263 11.686 ( -3.286 0.000 -3.676) 4.931 11.870 ( -6.002 0.000 -9.742) 11.442 12.577 ( -1.155 0.000 4.009) 4.172 12.599 ( 1.713 0.000 6.985) 7.192 12.863 ( 2.270 0.000 2.393) 3.299 13.240 ( 4.234 0.000 -6.373) 7.652 13.710 ( -2.122 0.000 6.589) 6.922 13.906 ( -1.543 0.000 -0.363) 1.585 14.048 ( -2.198 0.000 -2.061) 3.013 14.302 ( 0.891 0.000 2.430) 2.588 14.335 ( 4.054 0.000 -0.470) 4.081 14.476 ( -0.129 0.000 -1.470) 1.475 14.697 ( -0.825 0.000 -4.602) 4.675 14.801 ( 3.417 0.000 -4.216) 5.426 16.197 ( -1.272 0.000 1.453) 1.931 16.223 ( -0.057 0.000 3.667) 3.667 16.657 ( -0.042 0.000 -2.235) 2.236 16.687 ( 1.486 0.000 -2.822) 3.189 17.015 ( 0.429 0.000 -1.752) 1.804 17.078 ( 0.227 0.000 -0.172) 0.284 17.184 ( -1.517 0.000 1.467) 2.110 17.255 ( 2.724 0.000 -0.825) 2.847 17.297 ( -2.337 0.000 4.789) 5.328 17.338 ( -2.421 0.000 6.978) 7.386 17.444 ( 1.378 0.000 -4.433) 4.642 17.492 ( 0.014 0.000 0.237) 0.237 17.569 ( 1.757 0.000 -3.894) 4.272 17.613 ( 2.926 0.000 -9.467) 9.909 17.742 ( -1.499 0.000 6.413) 6.586 17.783 ( -1.682 0.000 7.172) 7.366 17.799 ( 1.240 0.000 5.997) 6.123 17.840 ( 0.778 0.000 1.008) 1.274 17.876 ( -1.405 0.000 -6.703) 6.848 17.970 ( 0.846 0.000 -0.826) 1.182 18.056 ( 0.953 0.000 -2.654) 2.820 18.225 ( -1.768 0.000 -5.166) 5.460 18.264 ( 1.785 0.000 -2.825) 3.342 18.358 ( -0.417 0.000 -4.595) 4.614 18.370 ( -0.765 0.000 4.676) 4.738 18.559 ( -3.994 0.000 8.217) 9.137 18.689 ( 0.223 0.000 -0.899) 0.926 18.730 ( -0.922 0.000 0.661) 1.135 21.202 ( -17.683 0.000 -0.718) 17.697 21.211 ( -17.935 0.000 -1.395) 17.989 21.258 ( -16.676 0.000 -3.225) 16.985 21.341 ( -8.209 0.000 1.761) 8.396 21.352 ( -11.633 0.000 1.516) 11.731 21.599 ( 12.810 0.000 -0.569) 12.823 21.621 ( 14.035 0.000 0.140) 14.036 21.679 ( 9.038 0.000 -3.038) 9.535 21.705 ( 10.883 0.000 -1.915) 11.051 21.731 ( 4.687 0.000 -0.063) 4.688 21.866 ( 9.603 0.000 7.640) 12.272 22.066 ( -2.794 0.000 8.790) 9.223 26.932 ( -0.719 0.000 0.582) 0.925 26.955 ( -0.327 0.000 0.554) 0.643 27.038 ( 0.127 0.000 -0.912) 0.921 27.045 ( 0.455 0.000 -0.324) 0.559 27.440 ( -1.140 0.000 1.413) 1.815 27.478 ( 0.045 0.000 0.814) 0.816 27.488 ( 0.372 0.000 1.214) 1.270 27.521 ( 0.188 0.000 1.190) 1.205 27.736 ( 0.115 0.000 -0.249) 0.275 27.750 ( -0.372 0.000 -1.555) 1.599 27.772 ( 1.652 0.000 -0.969) 1.915 27.778 ( 1.000 0.000 -1.287) 1.629 36.832 ( 3.221 0.000 -2.838) 4.293 36.886 ( 4.774 0.000 -5.463) 7.255 36.933 ( -7.591 0.000 1.814) 7.805 37.100 ( -0.134 0.000 -3.638) 3.640 37.144 ( -3.882 0.000 -6.605) 7.661 37.167 ( -2.954 0.000 0.933) 3.098 37.328 ( -4.191 0.000 -3.826) 5.674 37.435 ( -9.679 0.000 -11.913) 15.349 37.604 ( -1.454 0.000 -1.426) 2.037 37.765 ( -7.073 0.000 12.200) 14.102 37.834 ( -4.095 0.000 2.851) 4.990 38.005 ( -8.240 0.000 -7.178) 10.928 38.148 ( 13.549 0.000 12.017) 18.110 38.329 ( 1.063 0.000 4.957) 5.070 38.332 ( -2.503 0.000 0.760) 2.616 38.391 ( -15.620 0.000 4.217) 16.179 38.606 ( -12.263 0.000 0.217) 12.265 38.611 ( -6.695 0.000 3.016) 7.343 38.789 ( 8.792 0.000 9.046) 12.615 39.038 ( 16.747 0.000 -4.984) 17.473 39.076 ( 4.938 0.000 -6.733) 8.350 39.086 ( 15.826 0.000 -5.622) 16.795 39.233 ( 19.410 0.000 0.115) 19.410 39.392 ( 9.593 0.000 -7.726) 12.317 ======================= Grid point 51 (22/84) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -22.960 0.000 -12.618) 26.199 1.601 ( -19.045 0.000 -0.462) 19.050 2.092 ( -3.350 0.000 -6.588) 7.391 2.108 ( -11.594 0.000 -3.963) 12.253 2.297 ( 3.600 0.000 -4.425) 5.704 2.334 ( -6.751 0.000 -4.101) 7.899 2.352 ( 3.073 0.000 -2.138) 3.743 2.561 ( -8.022 0.000 -3.188) 8.632 2.708 ( -2.050 0.000 3.942) 4.444 2.744 ( 5.293 0.000 0.103) 5.294 2.830 ( 0.565 0.000 4.928) 4.960 2.833 ( -8.759 0.000 1.997) 8.984 2.873 ( 8.794 0.000 -4.787) 10.012 3.158 ( -11.655 0.000 1.777) 11.790 3.186 ( 8.023 0.000 -3.676) 8.825 3.345 ( 8.329 0.000 2.803) 8.788 3.486 ( -9.827 0.000 6.405) 11.730 3.677 ( 5.575 0.000 -1.425) 5.754 3.710 ( 13.367 0.000 -0.443) 13.374 3.748 ( -4.049 0.000 4.013) 5.700 3.966 ( -5.972 0.000 -1.939) 6.279 3.983 ( 4.522 0.000 -0.030) 4.522 4.114 ( -2.964 0.000 2.737) 4.034 4.375 ( -2.484 0.000 6.786) 7.226 4.433 ( -5.964 0.000 -0.373) 5.975 4.506 ( 8.390 0.000 0.381) 8.398 4.559 ( -5.145 0.000 -1.996) 5.519 4.565 ( 4.472 0.000 -4.191) 6.129 4.768 ( -3.160 0.000 -2.532) 4.049 4.826 ( -6.617 0.000 4.242) 7.860 4.907 ( -8.402 0.000 1.929) 8.620 4.934 ( -11.264 0.000 0.883) 11.298 5.079 ( -4.165 0.000 -1.655) 4.482 5.201 ( -10.049 0.000 2.288) 10.306 5.262 ( -2.045 0.000 0.921) 2.243 5.319 ( -9.250 0.000 -0.676) 9.275 5.410 ( 0.924 0.000 7.202) 7.261 5.559 ( 0.445 0.000 0.235) 0.503 5.562 ( 0.387 0.000 0.842) 0.927 5.639 ( -3.658 0.000 -0.637) 3.713 5.725 ( -3.736 0.000 -7.474) 8.355 5.763 ( 0.993 0.000 -2.196) 2.410 5.893 ( -3.373 0.000 6.175) 7.036 5.979 ( -2.997 0.000 5.234) 6.031 6.003 ( -4.424 0.000 -0.649) 4.471 6.188 ( -2.365 0.000 1.486) 2.793 6.299 ( -3.411 0.000 4.444) 5.602 6.331 ( -1.125 0.000 1.737) 2.070 6.393 ( -2.070 0.000 4.518) 4.969 6.561 ( -3.069 0.000 -0.643) 3.136 6.615 ( -5.865 0.000 -4.603) 7.456 6.630 ( -0.265 0.000 7.663) 7.667 6.705 ( -11.265 0.000 -6.524) 13.018 6.943 ( -10.820 0.000 -4.327) 11.653 7.027 ( -10.170 0.000 -4.345) 11.059 7.068 ( -14.314 0.000 -0.739) 14.333 7.088 ( 2.240 0.000 -4.091) 4.664 7.143 ( 8.388 0.000 4.142) 9.355 7.160 ( -2.362 0.000 3.669) 4.363 7.308 ( -9.293 0.000 2.781) 9.701 7.392 ( -1.096 0.000 0.913) 1.426 7.422 ( -7.207 0.000 7.891) 10.687 7.479 ( -4.505 0.000 -4.360) 6.269 7.556 ( -0.254 0.000 6.820) 6.824 7.589 ( -6.093 0.000 -2.109) 6.448 7.623 ( -2.849 0.000 -5.424) 6.127 7.759 ( -2.466 0.000 1.915) 3.122 7.795 ( -1.848 0.000 -5.489) 5.792 7.862 ( -6.568 0.000 1.219) 6.680 7.896 ( -10.287 0.000 -0.169) 10.289 7.947 ( -10.166 0.000 0.991) 10.214 7.992 ( -8.686 0.000 -0.288) 8.691 8.113 ( 0.616 0.000 -1.966) 2.060 8.143 ( -1.485 0.000 -0.747) 1.662 8.253 ( 1.256 0.000 -2.086) 2.436 8.320 ( 2.661 0.000 5.180) 5.824 8.355 ( 4.656 0.000 10.536) 11.519 8.420 ( -1.945 0.000 -2.459) 3.135 8.468 ( -4.340 0.000 -0.454) 4.364 8.518 ( 3.135 0.000 -0.370) 3.156 8.550 ( 3.955 0.000 3.404) 5.218 8.584 ( 0.871 0.000 2.391) 2.544 8.687 ( -2.461 0.000 -3.503) 4.281 8.748 ( -1.927 0.000 -0.768) 2.075 8.832 ( 9.837 0.000 -0.804) 9.870 8.841 ( 3.437 0.000 1.746) 3.855 8.918 ( 6.674 0.000 2.110) 6.999 9.012 ( 4.295 0.000 2.701) 5.074 9.048 ( -3.083 0.000 -5.709) 6.489 9.144 ( 5.065 0.000 5.072) 7.168 9.153 ( 2.357 0.000 -0.201) 2.366 9.179 ( 5.647 0.000 -0.194) 5.650 9.325 ( 1.840 0.000 3.882) 4.296 9.384 ( -2.153 0.000 -1.981) 2.926 9.391 ( 4.405 0.000 -0.186) 4.408 9.564 ( 2.884 0.000 1.419) 3.215 9.602 ( 2.217 0.000 5.577) 6.002 9.610 ( 7.558 0.000 0.086) 7.559 9.676 ( 0.232 0.000 -5.744) 5.748 9.775 ( 4.867 0.000 -2.847) 5.638 9.804 ( 8.420 0.000 0.448) 8.432 9.919 ( 0.850 0.000 -0.468) 0.970 10.059 ( 9.122 0.000 -2.510) 9.461 10.176 ( 11.497 0.000 -2.397) 11.744 10.215 ( 7.537 0.000 -0.236) 7.541 10.455 ( 16.799 0.000 0.480) 16.805 10.488 ( 6.685 0.000 5.792) 8.845 10.504 ( -2.792 0.000 -10.580) 10.943 10.727 ( 2.653 0.000 3.962) 4.768 10.801 ( 1.323 0.000 -7.961) 8.070 10.863 ( 11.055 0.000 -4.028) 11.767 11.343 ( 0.601 0.000 1.636) 1.743 11.357 ( 9.790 0.000 -5.295) 11.131 11.598 ( -2.461 0.000 -4.945) 5.523 11.710 ( -2.350 0.000 -7.529) 7.887 11.774 ( 13.880 0.000 10.050) 17.137 12.570 ( -2.398 0.000 3.713) 4.420 12.695 ( 0.869 0.000 8.727) 8.770 12.825 ( -5.888 0.000 -4.106) 7.179 13.273 ( 5.533 0.000 -12.121) 13.324 13.713 ( -3.452 0.000 6.254) 7.144 13.945 ( 4.883 0.000 3.772) 6.170 14.015 ( 2.357 0.000 -4.003) 4.646 14.345 ( 1.294 0.000 2.556) 2.865 14.383 ( 0.916 0.000 0.423) 1.009 14.475 ( 0.726 0.000 -0.379) 0.819 14.669 ( 2.258 0.000 -4.602) 5.126 14.827 ( 3.125 0.000 -5.297) 6.150 16.182 ( -2.413 0.000 3.981) 4.656 16.243 ( -1.662 0.000 4.933) 5.206 16.615 ( -1.856 0.000 -2.730) 3.301 16.674 ( 0.076 0.000 -4.269) 4.269 17.003 ( -0.088 0.000 -2.245) 2.247 17.070 ( -0.768 0.000 -0.079) 0.772 17.193 ( 0.690 0.000 2.785) 2.869 17.284 ( 1.390 0.000 -1.501) 2.046 17.290 ( -2.945 0.000 5.888) 6.584 17.356 ( -1.890 0.000 7.138) 7.384 17.416 ( 1.701 0.000 -10.353) 10.492 17.475 ( -0.984 0.000 -1.692) 1.957 17.585 ( 2.524 0.000 -2.642) 3.653 17.612 ( 2.710 0.000 -3.823) 4.686 17.762 ( -0.915 0.000 2.461) 2.625 17.786 ( -2.329 0.000 -3.466) 4.175 17.837 ( 0.777 0.000 7.716) 7.755 17.871 ( 1.300 0.000 1.680) 2.124 17.875 ( 1.098 0.000 6.479) 6.572 17.963 ( -1.639 0.000 1.590) 2.283 18.091 ( 4.261 0.000 -3.188) 5.321 18.141 ( -1.989 0.000 -5.666) 6.005 18.275 ( 2.285 0.000 -3.699) 4.348 18.300 ( -0.832 0.000 -6.439) 6.493 18.396 ( -0.442 0.000 4.278) 4.301 18.559 ( -2.883 0.000 8.050) 8.551 18.679 ( -0.148 0.000 -1.548) 1.556 18.728 ( -0.145 0.000 1.378) 1.385 20.836 ( -18.836 0.000 -0.457) 18.842 20.838 ( -19.087 0.000 -0.859) 19.106 20.882 ( -19.006 0.000 -2.232) 19.137 21.035 ( -19.856 0.000 0.996) 19.881 21.065 ( -19.354 0.000 1.920) 19.449 21.799 ( 7.037 0.000 0.738) 7.076 21.833 ( 9.387 0.000 -2.940) 9.836 21.847 ( 10.321 0.000 -2.014) 10.516 21.895 ( 8.534 0.000 1.651) 8.692 21.906 ( 8.656 0.000 1.158) 8.733 22.060 ( 5.108 0.000 5.118) 7.231 22.105 ( 0.250 0.000 6.328) 6.333 26.923 ( -0.724 0.000 0.825) 1.098 26.950 ( -0.507 0.000 0.278) 0.579 27.033 ( 0.030 0.000 -0.692) 0.692 27.047 ( -0.023 0.000 -0.238) 0.239 27.430 ( -0.885 0.000 1.350) 1.614 27.493 ( 0.584 0.000 1.188) 1.324 27.512 ( 0.995 0.000 1.222) 1.576 27.534 ( 0.247 0.000 0.841) 0.876 27.721 ( -0.862 0.000 -1.832) 2.025 27.736 ( 0.517 0.000 -0.851) 0.995 27.804 ( 2.401 0.000 -1.041) 2.617 27.808 ( 2.387 0.000 -0.587) 2.458 36.775 ( -7.467 0.000 -0.585) 7.490 36.879 ( 2.244 0.000 -1.634) 2.776 36.927 ( 2.733 0.000 -1.850) 3.300 36.994 ( -4.125 0.000 -7.934) 8.942 37.076 ( -6.035 0.000 -1.837) 6.308 37.077 ( -0.631 0.000 -2.111) 2.203 37.183 ( -7.622 0.000 -5.639) 9.481 37.235 ( -3.985 0.000 -0.082) 3.986 37.540 ( -4.487 0.000 0.053) 4.488 37.698 ( -9.216 0.000 0.841) 9.254 37.711 ( -7.418 0.000 9.954) 12.414 37.874 ( -1.126 0.000 -5.319) 5.437 38.120 ( -12.354 0.000 -0.142) 12.354 38.214 ( -4.434 0.000 -3.630) 5.730 38.277 ( -10.346 0.000 -1.635) 10.475 38.412 ( -4.067 0.000 5.194) 6.597 38.435 ( -10.156 0.000 2.439) 10.444 38.605 ( 17.293 0.000 11.851) 20.964 39.090 ( 12.781 0.000 10.793) 16.729 39.181 ( 10.729 0.000 -8.674) 13.797 39.255 ( 14.616 0.000 -10.764) 18.152 39.554 ( 30.427 0.000 -0.874) 30.440 39.683 ( 24.034 0.000 -7.184) 25.085 39.756 ( 28.858 0.000 2.254) 28.946 ======================= Grid point 52 (23/84) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.976 ( -24.446 0.000 2.702) 24.595 1.141 ( -26.971 0.000 -0.850) 26.984 1.943 ( -26.661 0.000 -1.824) 26.723 1.952 ( -6.801 0.000 4.687) 8.260 2.099 ( -11.149 0.000 -4.529) 12.034 2.120 ( -9.376 0.000 -0.962) 9.425 2.375 ( -1.581 0.000 -3.880) 4.190 2.408 ( 9.809 0.000 -3.584) 10.444 2.702 ( -0.877 0.000 0.775) 1.170 2.703 ( -6.274 0.000 2.339) 6.696 2.866 ( -1.070 0.000 5.159) 5.269 2.889 ( 9.263 0.000 -3.452) 9.885 3.015 ( 9.540 0.000 -11.244) 14.746 3.143 ( 6.359 0.000 2.901) 6.990 3.283 ( 6.867 0.000 -3.590) 7.749 3.393 ( -5.387 0.000 9.026) 10.511 3.518 ( 6.543 0.000 -0.144) 6.545 3.687 ( -1.590 0.000 3.537) 3.878 3.743 ( -1.262 0.000 0.902) 1.551 3.901 ( -0.875 0.000 -0.488) 1.002 3.967 ( -0.066 0.000 -8.493) 8.493 3.979 ( 12.088 0.000 0.177) 12.089 4.057 ( -4.188 0.000 3.164) 5.249 4.288 ( -10.260 0.000 -0.168) 10.262 4.345 ( -5.197 0.000 6.816) 8.571 4.479 ( -1.439 0.000 -0.154) 1.447 4.520 ( -8.770 0.000 1.523) 8.901 4.586 ( -7.105 0.000 -2.008) 7.383 4.663 ( -1.355 0.000 -7.950) 8.065 4.706 ( -12.831 0.000 1.281) 12.895 4.708 ( -4.094 0.000 -4.677) 6.216 4.770 ( -0.711 0.000 2.999) 3.083 4.999 ( -3.720 0.000 -2.162) 4.303 5.087 ( -5.503 0.000 8.274) 9.937 5.132 ( -8.736 0.000 1.491) 8.863 5.247 ( -3.677 0.000 6.278) 7.275 5.393 ( -7.979 0.000 -2.984) 8.519 5.490 ( -5.604 0.000 -1.173) 5.726 5.552 ( -1.111 0.000 -3.214) 3.400 5.613 ( 3.729 0.000 1.666) 4.084 5.645 ( -0.386 0.000 5.640) 5.653 5.676 ( -5.745 0.000 -4.104) 7.060 5.850 ( -4.719 0.000 2.100) 5.165 5.883 ( -6.456 0.000 -0.518) 6.476 6.000 ( 0.277 0.000 2.718) 2.732 6.169 ( -10.723 0.000 -0.524) 10.736 6.234 ( -1.675 0.000 10.711) 10.841 6.325 ( 0.865 0.000 4.190) 4.278 6.420 ( 0.691 0.000 7.280) 7.313 6.421 ( -9.530 0.000 -5.076) 10.797 6.463 ( -5.988 0.000 -0.004) 5.988 6.568 ( -11.448 0.000 -11.420) 16.170 6.657 ( -14.004 0.000 -0.053) 14.004 6.670 ( 6.125 0.000 2.106) 6.476 6.770 ( -10.991 0.000 -6.507) 12.773 6.834 ( -3.696 0.000 2.362) 4.386 7.081 ( -6.230 0.000 -0.970) 6.305 7.155 ( 4.288 0.000 0.769) 4.356 7.210 ( -6.132 0.000 2.461) 6.608 7.264 ( -9.796 0.000 -4.995) 10.996 7.291 ( -4.418 0.000 -2.015) 4.856 7.337 ( 3.344 0.000 2.116) 3.957 7.387 ( 1.251 0.000 0.181) 1.264 7.475 ( -1.820 0.000 6.514) 6.764 7.605 ( -1.117 0.000 -6.807) 6.898 7.620 ( -0.189 0.000 3.777) 3.781 7.679 ( -8.757 0.000 2.849) 9.209 7.701 ( -5.528 0.000 -0.804) 5.587 7.733 ( -1.706 0.000 5.887) 6.129 7.785 ( -7.707 0.000 1.858) 7.928 7.855 ( 1.721 0.000 6.112) 6.349 7.868 ( -4.419 0.000 1.327) 4.614 8.065 ( -4.387 0.000 -4.776) 6.485 8.147 ( 3.322 0.000 2.281) 4.029 8.245 ( -3.105 0.000 -1.623) 3.503 8.301 ( -1.793 0.000 -2.405) 3.000 8.364 ( -2.695 0.000 3.410) 4.346 8.426 ( 0.944 0.000 4.065) 4.173 8.493 ( -5.526 0.000 7.554) 9.360 8.567 ( -0.285 0.000 -0.092) 0.300 8.575 ( 4.301 0.000 1.676) 4.616 8.627 ( 0.768 0.000 -6.658) 6.702 8.654 ( 3.036 0.000 0.055) 3.037 8.663 ( -1.397 0.000 -4.226) 4.451 8.910 ( -4.456 0.000 -0.912) 4.548 8.955 ( 4.905 0.000 -3.260) 5.889 9.021 ( 8.722 0.000 0.260) 8.726 9.045 ( 4.940 0.000 3.380) 5.986 9.081 ( -0.347 0.000 1.671) 1.707 9.204 ( 2.470 0.000 -3.334) 4.149 9.277 ( 4.967 0.000 0.423) 4.985 9.310 ( 7.868 0.000 -2.501) 8.255 9.340 ( -1.095 0.000 2.446) 2.680 9.411 ( 2.920 0.000 2.845) 4.077 9.486 ( 5.486 0.000 -0.450) 5.505 9.579 ( 1.091 0.000 -3.287) 3.463 9.670 ( 2.816 0.000 -2.444) 3.729 9.731 ( 5.497 0.000 5.222) 7.582 9.818 ( 8.585 0.000 0.352) 8.592 9.839 ( 3.654 0.000 -1.503) 3.952 9.864 ( -2.189 0.000 -2.772) 3.532 9.919 ( 3.900 0.000 0.210) 3.905 10.237 ( 12.285 0.000 -7.200) 14.240 10.264 ( -3.267 0.000 -0.242) 3.276 10.343 ( -1.854 0.000 -9.361) 9.543 10.476 ( 15.651 0.000 5.185) 16.487 10.652 ( 4.679 0.000 7.808) 9.103 10.793 ( 15.178 0.000 0.451) 15.185 10.849 ( 10.264 0.000 -7.538) 12.735 10.857 ( 7.321 0.000 6.701) 9.925 11.060 ( 11.471 0.000 -3.753) 12.069 11.350 ( 4.502 0.000 -8.594) 9.701 11.492 ( -4.238 0.000 -4.404) 6.112 11.524 ( 5.417 0.000 5.792) 7.930 11.679 ( 3.105 0.000 -2.114) 3.756 12.121 ( 12.030 0.000 9.211) 15.152 12.550 ( -2.544 0.000 2.872) 3.837 12.594 ( -12.367 0.000 -6.722) 14.076 12.762 ( -0.899 0.000 7.257) 7.312 13.207 ( 1.259 0.000 -22.879) 22.914 13.676 ( -4.361 0.000 4.059) 5.957 14.088 ( 7.549 0.000 -2.737) 8.030 14.125 ( 9.259 0.000 2.654) 9.632 14.392 ( 1.644 0.000 1.831) 2.461 14.405 ( 0.991 0.000 2.671) 2.849 14.494 ( 0.434 0.000 2.304) 2.344 14.693 ( 3.208 0.000 -4.025) 5.148 14.842 ( 3.222 0.000 -5.126) 6.054 16.182 ( -2.206 0.000 7.881) 8.184 16.240 ( -2.961 0.000 6.009) 6.699 16.557 ( -1.335 0.000 -2.927) 3.217 16.619 ( -0.973 0.000 -6.621) 6.692 16.974 ( -0.489 0.000 -3.170) 3.208 17.055 ( -0.781 0.000 0.479) 0.916 17.237 ( 2.313 0.000 -1.457) 2.733 17.275 ( -3.827 0.000 5.993) 7.111 17.302 ( 1.072 0.000 0.327) 1.121 17.344 ( 1.547 0.000 -12.171) 12.269 17.378 ( -1.818 0.000 6.839) 7.077 17.441 ( -0.489 0.000 -2.054) 2.111 17.620 ( 2.558 0.000 -1.108) 2.788 17.628 ( 0.959 0.000 -4.477) 4.579 17.719 ( -0.187 0.000 -0.597) 0.625 17.785 ( -1.028 0.000 4.150) 4.276 17.907 ( 0.714 0.000 1.185) 1.384 17.921 ( -0.789 0.000 0.981) 1.258 17.930 ( 2.267 0.000 7.428) 7.766 17.956 ( -0.035 0.000 1.850) 1.851 18.083 ( -0.530 0.000 0.070) 0.535 18.146 ( 3.370 0.000 -1.653) 3.754 18.225 ( -0.923 0.000 -6.765) 6.828 18.293 ( 2.221 0.000 -2.637) 3.448 18.420 ( -0.501 0.000 3.616) 3.651 18.585 ( -1.098 0.000 7.978) 8.053 18.663 ( -0.114 0.000 -1.677) 1.681 18.746 ( 0.462 0.000 2.287) 2.333 20.486 ( -16.196 0.000 -0.269) 16.199 20.492 ( -15.955 0.000 -0.149) 15.956 20.513 ( -17.194 0.000 -0.862) 17.216 20.641 ( -20.362 0.000 0.033) 20.362 20.675 ( -21.183 0.000 0.761) 21.196 21.881 ( 1.502 0.000 -3.134) 3.476 21.977 ( 6.688 0.000 -1.189) 6.793 21.998 ( 6.896 0.000 -1.548) 7.068 22.042 ( 5.215 0.000 1.350) 5.386 22.045 ( 5.363 0.000 -0.317) 5.372 22.156 ( 2.193 0.000 -2.014) 2.977 22.157 ( 1.830 0.000 2.865) 3.399 26.916 ( -0.750 0.000 0.856) 1.138 26.942 ( -0.511 0.000 0.491) 0.708 27.029 ( -0.082 0.000 -0.208) 0.223 27.041 ( -0.326 0.000 -0.486) 0.586 27.431 ( -0.203 0.000 1.487) 1.501 27.518 ( 0.653 0.000 1.550) 1.681 27.540 ( 0.946 0.000 0.667) 1.157 27.545 ( 0.450 0.000 0.502) 0.675 27.691 ( -0.563 0.000 -1.985) 2.063 27.742 ( 0.942 0.000 -1.284) 1.592 27.847 ( 2.088 0.000 -0.776) 2.228 27.849 ( 2.813 0.000 -0.554) 2.867 36.634 ( -5.455 0.000 -2.057) 5.830 36.859 ( -2.584 0.000 -8.565) 8.946 36.910 ( 0.775 0.000 0.262) 0.818 36.953 ( -4.129 0.000 0.115) 4.131 36.982 ( -0.301 0.000 9.291) 9.296 37.040 ( -5.300 0.000 -0.295) 5.309 37.056 ( -0.797 0.000 5.669) 5.725 37.170 ( -3.100 0.000 1.010) 3.260 37.440 ( -7.032 0.000 3.143) 7.702 37.550 ( -6.162 0.000 -0.521) 6.184 37.673 ( -2.618 0.000 7.187) 7.649 37.824 ( -0.559 0.000 -3.191) 3.239 37.930 ( -6.637 0.000 1.851) 6.891 38.062 ( -8.935 0.000 -0.550) 8.952 38.105 ( -3.600 0.000 -3.656) 5.131 38.266 ( -7.761 0.000 0.747) 7.797 38.421 ( 0.513 0.000 0.692) 0.861 39.022 ( 14.656 0.000 7.539) 16.481 39.328 ( 10.872 0.000 -3.894) 11.548 39.400 ( 10.552 0.000 -10.386) 14.806 39.438 ( 12.698 0.000 8.620) 15.347 40.127 ( 25.655 0.000 -5.255) 26.188 40.150 ( 29.622 0.000 -1.400) 29.655 40.316 ( 26.316 0.000 2.981) 26.485 ======================= Grid point 53 (24/84) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.634 ( -26.088 0.000 11.007) 28.315 0.696 ( -18.783 0.000 26.810) 32.735 1.188 ( -43.347 0.000 26.905) 51.019 1.857 ( -6.651 0.000 3.564) 7.546 1.989 ( -2.685 0.000 -1.338) 3.000 2.053 ( 6.077 0.000 -18.960) 19.910 2.258 ( -6.600 0.000 -1.402) 6.747 2.482 ( -3.357 0.000 -2.092) 3.955 2.642 ( -1.384 0.000 -13.347) 13.419 2.760 ( 9.807 0.000 4.898) 10.962 2.866 ( -4.440 0.000 5.925) 7.404 2.971 ( 2.858 0.000 -4.605) 5.420 3.065 ( 4.667 0.000 -2.792) 5.438 3.302 ( 7.506 0.000 -8.036) 10.996 3.386 ( 0.698 0.000 0.221) 0.732 3.434 ( 10.097 0.000 -0.064) 10.097 3.636 ( 7.564 0.000 -3.629) 8.390 3.677 ( -3.899 0.000 7.987) 8.888 3.752 ( 1.159 0.000 3.223) 3.425 3.886 ( -1.040 0.000 -0.439) 1.128 3.894 ( -1.381 0.000 -4.377) 4.589 4.010 ( -9.572 0.000 -0.445) 9.582 4.036 ( -2.513 0.000 5.873) 6.388 4.150 ( -6.858 0.000 -1.219) 6.965 4.240 ( -11.814 0.000 4.654) 12.698 4.267 ( -15.601 0.000 4.554) 16.252 4.419 ( -0.438 0.000 -1.644) 1.701 4.434 ( -1.273 0.000 -0.847) 1.529 4.509 ( -2.328 0.000 -10.734) 10.983 4.586 ( -2.191 0.000 4.003) 4.563 4.725 ( 2.345 0.000 -1.594) 2.835 4.779 ( 1.161 0.000 -3.810) 3.982 4.912 ( -2.920 0.000 -1.515) 3.289 5.017 ( -3.719 0.000 3.308) 4.978 5.107 ( -8.386 0.000 -2.442) 8.735 5.147 ( 2.620 0.000 9.684) 10.032 5.307 ( -2.151 0.000 4.440) 4.934 5.391 ( -3.405 0.000 1.516) 3.727 5.496 ( -6.610 0.000 -14.328) 15.779 5.527 ( 0.545 0.000 -5.267) 5.295 5.686 ( -2.499 0.000 7.096) 7.523 5.698 ( -1.831 0.000 9.349) 9.527 5.779 ( -3.917 0.000 4.199) 5.742 5.824 ( 0.893 0.000 0.716) 1.145 5.996 ( -3.653 0.000 -1.392) 3.909 6.052 ( 1.291 0.000 1.555) 2.021 6.071 ( -23.297 0.000 -20.129) 30.789 6.215 ( -3.555 0.000 -1.043) 3.705 6.260 ( -2.680 0.000 -3.687) 4.558 6.310 ( -5.850 0.000 0.521) 5.873 6.362 ( -2.942 0.000 0.989) 3.104 6.475 ( -6.239 0.000 9.796) 11.614 6.477 ( -9.690 0.000 -3.337) 10.248 6.602 ( 4.930 0.000 5.237) 7.193 6.802 ( 3.914 0.000 0.161) 3.917 6.811 ( -4.193 0.000 -0.863) 4.281 6.992 ( -5.901 0.000 -2.648) 6.468 6.996 ( -2.148 0.000 -1.123) 2.423 7.145 ( -4.348 0.000 3.185) 5.390 7.256 ( 5.328 0.000 -4.150) 6.753 7.269 ( 3.422 0.000 0.364) 3.442 7.325 ( -1.997 0.000 -2.263) 3.018 7.403 ( -3.887 0.000 -8.044) 8.934 7.471 ( 2.791 0.000 -2.002) 3.435 7.520 ( -8.372 0.000 -0.344) 8.380 7.583 ( -0.222 0.000 -4.708) 4.713 7.628 ( -3.204 0.000 9.933) 10.436 7.659 ( 1.240 0.000 5.520) 5.658 7.695 ( -3.579 0.000 5.161) 6.280 7.802 ( -0.256 0.000 7.872) 7.876 7.824 ( -3.032 0.000 4.927) 5.785 7.927 ( -2.899 0.000 -2.808) 4.036 7.929 ( -2.718 0.000 -6.951) 7.463 8.130 ( -2.816 0.000 -2.923) 4.058 8.171 ( -0.990 0.000 -3.760) 3.888 8.348 ( -3.149 0.000 1.602) 3.533 8.379 ( -0.184 0.000 -9.557) 9.559 8.404 ( -6.164 0.000 6.878) 9.236 8.421 ( 1.504 0.000 -3.374) 3.694 8.504 ( -1.542 0.000 -3.442) 3.772 8.637 ( 2.625 0.000 0.789) 2.741 8.659 ( 1.043 0.000 -1.867) 2.139 8.700 ( 1.610 0.000 2.627) 3.081 8.715 ( 9.239 0.000 5.416) 10.710 8.869 ( 1.647 0.000 5.953) 6.176 8.988 ( 1.053 0.000 -2.202) 2.441 9.058 ( -0.774 0.000 -1.447) 1.641 9.122 ( 2.970 0.000 -2.804) 4.085 9.175 ( 4.049 0.000 2.199) 4.608 9.201 ( 0.169 0.000 1.294) 1.305 9.322 ( 1.096 0.000 -5.435) 5.544 9.362 ( -0.236 0.000 2.845) 2.854 9.373 ( 4.217 0.000 -3.518) 5.491 9.463 ( 3.010 0.000 -8.122) 8.662 9.584 ( 2.657 0.000 -3.114) 4.094 9.601 ( 3.345 0.000 5.319) 6.284 9.721 ( -7.255 0.000 -15.293) 16.927 9.742 ( 4.202 0.000 3.802) 5.667 9.846 ( 2.090 0.000 0.044) 2.091 9.855 ( -0.049 0.000 0.233) 0.238 9.891 ( 1.357 0.000 3.872) 4.103 10.036 ( 3.980 0.000 0.052) 3.981 10.164 ( -2.537 0.000 -3.253) 4.125 10.315 ( 1.533 0.000 2.131) 2.625 10.363 ( 4.347 0.000 -1.356) 4.553 10.713 ( 2.713 0.000 7.504) 7.979 10.952 ( 16.097 0.000 3.705) 16.518 11.000 ( 10.004 0.000 -6.242) 11.792 11.027 ( 8.294 0.000 -0.932) 8.346 11.152 ( 10.994 0.000 1.834) 11.146 11.231 ( 10.597 0.000 8.505) 13.588 11.388 ( 5.084 0.000 -4.465) 6.766 11.438 ( 7.486 0.000 21.191) 22.474 11.636 ( 1.127 0.000 4.926) 5.053 11.811 ( 11.131 0.000 2.424) 11.392 12.280 ( -14.445 0.000 -4.131) 15.024 12.342 ( 4.439 0.000 4.761) 6.509 12.519 ( -2.297 0.000 1.276) 2.628 12.772 ( -3.098 0.000 3.857) 4.947 12.877 ( -14.291 0.000 -29.556) 32.829 13.633 ( -2.956 0.000 3.711) 4.745 14.219 ( 6.261 0.000 -0.744) 6.305 14.281 ( 5.198 0.000 -0.377) 5.211 14.436 ( 1.645 0.000 0.636) 1.763 14.494 ( 5.877 0.000 2.156) 6.260 14.532 ( 0.378 0.000 4.965) 4.980 14.708 ( 1.193 0.000 -3.584) 3.778 14.881 ( 4.740 0.000 -3.660) 5.989 16.180 ( -3.124 0.000 1.591) 3.506 16.339 ( 6.984 0.000 16.331) 17.761 16.524 ( -0.089 0.000 -3.494) 3.495 16.540 ( 0.226 0.000 -8.120) 8.123 16.945 ( 0.312 0.000 -2.195) 2.217 17.054 ( 0.414 0.000 1.751) 1.799 17.210 ( 0.185 0.000 -14.315) 14.317 17.243 ( -3.586 0.000 5.332) 6.426 17.264 ( 2.646 0.000 -5.869) 6.437 17.389 ( -1.586 0.000 3.896) 4.207 17.391 ( 2.524 0.000 4.415) 5.085 17.440 ( 0.192 0.000 2.265) 2.273 17.581 ( -0.313 0.000 -5.725) 5.733 17.662 ( 2.267 0.000 0.355) 2.295 17.749 ( 1.346 0.000 2.117) 2.509 17.796 ( -1.012 0.000 3.372) 3.521 17.871 ( -1.386 0.000 -3.580) 3.838 17.915 ( 0.078 0.000 -0.372) 0.381 17.990 ( 0.911 0.000 3.254) 3.380 18.044 ( 3.144 0.000 7.607) 8.231 18.068 ( -2.526 0.000 -2.757) 3.739 18.191 ( 2.036 0.000 -0.413) 2.077 18.209 ( 2.346 0.000 2.943) 3.763 18.315 ( 1.477 0.000 -0.941) 1.751 18.436 ( -0.718 0.000 3.193) 3.272 18.645 ( -0.051 0.000 8.597) 8.597 18.650 ( 0.174 0.000 -1.461) 1.471 18.782 ( 0.652 0.000 3.577) 3.636 20.227 ( -10.607 0.000 -0.739) 10.633 20.233 ( -9.315 0.000 -0.010) 9.315 20.245 ( -9.610 0.000 0.402) 9.618 20.295 ( -13.967 0.000 -0.241) 13.969 20.310 ( -15.305 0.000 0.235) 15.307 21.472 ( -37.334 0.000 -61.277) 71.755 22.068 ( 3.450 0.000 -0.275) 3.461 22.089 ( 3.620 0.000 -0.986) 3.752 22.107 ( 2.852 0.000 -2.223) 3.615 22.122 ( 2.323 0.000 0.691) 2.424 22.161 ( 0.979 0.000 -0.390) 1.053 22.189 ( -0.190 0.000 1.594) 1.605 26.908 ( -0.653 0.000 0.481) 0.810 26.942 ( -0.286 0.000 1.378) 1.408 27.025 ( -0.236 0.000 -0.162) 0.286 27.031 ( -0.171 0.000 -0.286) 0.333 27.443 ( -0.020 0.000 1.375) 1.375 27.533 ( -0.331 0.000 1.312) 1.353 27.557 ( 0.545 0.000 0.203) 0.582 27.565 ( 0.895 0.000 0.861) 1.242 27.669 ( 0.035 0.000 -1.795) 1.796 27.748 ( 0.907 0.000 -1.700) 1.927 27.875 ( 1.493 0.000 -0.267) 1.516 27.896 ( 2.098 0.000 -0.210) 2.109 36.543 ( -2.263 0.000 -1.568) 2.754 36.760 ( -0.749 0.000 -7.371) 7.409 36.879 ( -2.220 0.000 2.103) 3.058 36.941 ( -1.573 0.000 1.699) 2.315 36.991 ( -2.974 0.000 6.344) 7.006 36.993 ( -0.473 0.000 4.796) 4.819 37.117 ( -2.140 0.000 1.536) 2.635 37.297 ( 2.496 0.000 8.387) 8.750 37.350 ( -1.566 0.000 7.531) 7.692 37.455 ( -2.898 0.000 -0.761) 2.996 37.711 ( -0.712 0.000 5.227) 5.276 37.799 ( 0.143 0.000 -2.034) 2.039 37.938 ( -4.128 0.000 0.968) 4.240 38.018 ( -3.071 0.000 -1.330) 3.346 38.130 ( -1.050 0.000 1.839) 2.118 38.371 ( 42.610 0.000 75.855) 87.003 38.418 ( 0.432 0.000 -4.423) 4.444 39.260 ( 16.356 0.000 4.407) 16.939 39.435 ( 5.213 0.000 -16.376) 17.186 39.600 ( 11.644 0.000 18.285) 21.677 39.741 ( 8.089 0.000 12.672) 15.033 40.532 ( 18.769 0.000 -2.688) 18.960 40.589 ( 16.934 0.000 -3.152) 17.225 40.784 ( 17.595 0.000 2.296) 17.744 ======================= Grid point 54 (25/84) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.713 ( 11.494 17.716 18.587) 28.133 0.741 ( -5.048 20.846 17.155) 27.465 1.512 ( -2.897 -20.406 2.545) 20.767 1.637 ( 0.376 23.542 30.369) 38.427 1.713 ( 4.818 -15.603 8.434) 18.379 2.181 ( -4.165 11.347 -5.769) 13.393 2.370 ( 3.716 7.259 -2.206) 8.449 2.440 ( 4.285 4.717 -8.340) 10.496 2.596 ( 4.716 12.139 -13.822) 18.991 2.920 ( 0.540 6.020 0.778) 6.094 2.953 ( -2.761 4.849 -4.832) 7.381 3.089 ( 1.884 1.121 2.496) 3.322 3.172 ( 2.874 5.589 0.959) 6.358 3.258 ( 0.709 -8.319 6.851) 10.800 3.356 ( 0.669 -6.255 -7.291) 9.630 3.491 ( 4.180 -5.806 1.322) 7.276 3.596 ( -4.891 -4.892 -3.679) 7.835 3.627 ( -1.010 -9.459 8.670) 12.871 3.701 ( 3.643 -2.359 -5.561) 7.054 3.798 ( -1.117 -3.545 -2.102) 4.270 3.856 ( -2.379 0.995 2.112) 3.333 3.913 ( 0.914 0.866 -0.447) 1.336 3.937 ( -5.983 0.974 4.400) 7.490 4.005 ( -2.069 -4.997 6.298) 8.301 4.111 ( -0.593 2.710 -3.212) 4.244 4.197 ( -1.706 0.340 6.781) 7.001 4.346 ( 3.559 -4.764 -1.527) 6.140 4.458 ( -2.090 -6.288 -0.515) 6.647 4.476 ( -1.554 -0.439 2.459) 2.942 4.537 ( 4.730 -2.500 0.204) 5.353 4.692 ( -5.126 0.654 1.699) 5.440 4.793 ( 0.215 0.011 1.139) 1.160 4.862 ( -6.283 -0.400 -2.591) 6.808 4.947 ( -0.270 -0.256 -0.517) 0.637 4.981 ( 0.697 1.801 2.442) 3.114 5.098 ( 0.340 5.223 3.414) 6.248 5.194 ( 1.508 -6.296 0.377) 6.485 5.291 ( -0.673 -0.574 -3.513) 3.623 5.510 ( 1.089 1.568 -1.938) 2.721 5.516 ( 2.996 3.768 1.970) 5.201 5.651 ( -1.524 -1.209 1.134) 2.252 5.708 ( -2.263 -1.849 3.157) 4.302 5.742 ( -2.179 5.958 2.236) 6.727 5.837 ( 2.789 -1.363 1.130) 3.303 5.854 ( -1.680 2.872 3.260) 4.658 6.016 ( -1.947 2.620 -0.011) 3.264 6.053 ( 1.551 -4.903 -0.821) 5.208 6.135 ( -1.553 -5.318 -1.596) 5.765 6.201 ( -2.844 2.358 -0.890) 3.800 6.235 ( 2.666 0.371 -0.087) 2.693 6.305 ( -0.970 1.619 -4.594) 4.967 6.416 ( 1.649 2.542 -0.316) 3.046 6.537 ( -1.408 7.854 -4.968) 9.399 6.610 ( -3.002 2.690 0.683) 4.088 6.842 ( 2.753 -2.513 -0.439) 3.753 6.863 ( -3.965 -6.050 -1.766) 7.446 6.941 ( 3.494 -2.271 -1.737) 4.515 6.987 ( -0.353 0.613 -0.221) 0.741 7.050 ( 4.674 0.940 3.332) 5.816 7.188 ( -0.355 -4.986 -3.543) 6.127 7.230 ( -1.870 -0.901 0.987) 2.298 7.271 ( -5.273 1.681 -3.421) 6.506 7.326 ( 1.546 -5.079 3.777) 6.516 7.376 ( 0.203 -1.686 -4.256) 4.582 7.406 ( -3.141 0.238 -3.505) 4.713 7.556 ( -1.937 2.316 6.403) 7.079 7.580 ( -1.312 -3.616 0.091) 3.848 7.636 ( 0.913 3.684 -2.637) 4.622 7.680 ( 0.584 2.216 -1.872) 2.959 7.848 ( 1.248 6.616 3.770) 7.716 7.856 ( 0.383 -1.829 0.593) 1.960 7.892 ( -0.276 -1.917 2.819) 3.420 7.945 ( 0.619 -2.465 4.529) 5.193 8.006 ( -2.138 1.192 -1.120) 2.692 8.130 ( 1.910 -8.468 2.292) 8.978 8.210 ( -4.582 -4.384 -0.132) 6.342 8.263 ( -1.595 0.829 2.620) 3.178 8.366 ( 0.658 5.705 -4.512) 7.303 8.425 ( -0.594 -0.819 -2.405) 2.609 8.538 ( 2.491 2.594 -1.168) 3.781 8.592 ( 1.346 -1.105 -1.972) 2.631 8.653 ( -0.970 -1.132 -4.551) 4.789 8.765 ( -1.705 3.843 1.581) 4.492 8.861 ( -0.814 -0.695 -0.450) 1.161 8.889 ( 5.358 -2.630 2.192) 6.358 8.930 ( -3.751 -0.828 1.284) 4.051 8.999 ( -1.954 -2.295 -1.509) 3.371 9.070 ( 0.484 -1.527 -0.037) 1.603 9.169 ( -2.322 2.961 -11.024) 11.649 9.232 ( 2.423 -2.142 -2.801) 4.278 9.310 ( -0.907 0.321 -2.534) 2.711 9.385 ( -0.051 -1.775 -5.124) 5.423 9.458 ( -0.319 5.554 1.495) 5.761 9.559 ( 4.786 -0.583 1.459) 5.038 9.584 ( 3.019 -2.659 0.410) 4.044 9.614 ( -1.806 3.721 -1.282) 4.330 9.682 ( -1.049 3.551 -4.093) 5.519 9.816 ( -0.953 -0.261 -3.804) 3.930 9.859 ( 0.448 1.181 2.896) 3.160 9.929 ( -0.032 2.035 1.455) 2.502 10.021 ( 4.675 2.272 2.972) 5.987 10.065 ( -0.471 0.584 2.259) 2.381 10.134 ( -1.017 3.191 -0.673) 3.416 10.355 ( 1.753 -4.474 2.362) 5.355 10.537 ( 1.191 9.150 5.975) 10.993 10.735 ( -5.142 1.132 2.543) 5.848 10.916 ( -2.365 -7.851 -0.252) 8.203 10.994 ( -3.844 -8.159 -2.085) 9.257 11.140 ( 1.483 0.480 -2.861) 3.258 11.249 ( 6.404 -1.089 2.640) 7.012 11.373 ( -4.648 -3.215 7.612) 9.481 11.426 ( 3.041 -3.029 -1.511) 4.550 11.497 ( 5.441 5.470 3.776) 8.590 11.952 ( -6.280 -7.144 -0.097) 9.512 11.979 ( -10.029 2.265 1.301) 10.364 12.101 ( 7.030 -3.707 6.521) 10.280 12.360 ( 0.837 -1.832 2.346) 3.092 12.432 ( 13.383 -9.136 9.304) 18.685 12.559 ( 5.263 -1.986 3.861) 6.823 12.669 ( -4.933 -2.960 -1.533) 5.954 14.092 ( 3.360 9.864 -11.801) 15.743 14.274 ( -1.482 -5.084 -1.142) 5.417 14.392 ( 0.599 4.678 -0.012) 4.716 14.481 ( 0.946 3.037 -4.900) 5.842 14.544 ( 1.936 7.288 -3.137) 8.167 14.682 ( 0.893 4.859 -7.507) 8.987 14.726 ( 0.965 4.920 -2.272) 5.505 14.902 ( -0.928 -1.672 -2.946) 3.512 16.125 ( -2.291 0.199 -0.816) 2.440 16.234 ( -6.193 -8.873 4.322) 11.651 16.561 ( 3.473 1.818 -4.767) 6.172 16.594 ( 2.606 2.321 -16.190) 16.562 16.957 ( 0.228 2.800 -2.364) 3.671 17.047 ( -0.141 -2.311 -1.610) 2.820 17.109 ( 0.580 1.361 -10.323) 10.428 17.217 ( -2.310 0.507 4.143) 4.770 17.319 ( 2.245 -5.148 -1.055) 5.715 17.361 ( -0.842 -1.317 3.734) 4.048 17.432 ( -1.255 1.868 2.414) 3.301 17.501 ( 1.291 0.324 2.109) 2.494 17.609 ( -0.281 4.251 -3.671) 5.624 17.696 ( -0.245 -3.289 -0.041) 3.298 17.777 ( -0.056 0.279 -0.923) 0.966 17.791 ( 0.673 -1.329 0.776) 1.679 17.908 ( -0.308 5.054 0.312) 5.073 17.919 ( -0.408 2.293 -1.974) 3.053 17.948 ( -3.055 -0.061 -4.625) 5.543 18.088 ( 0.188 4.490 4.042) 6.044 18.157 ( 1.065 -0.671 4.949) 5.107 18.232 ( 0.270 1.799 0.370) 1.857 18.248 ( 2.047 -4.732 2.979) 5.955 18.319 ( 0.494 -1.916 -0.027) 1.979 18.490 ( -2.395 3.751 4.204) 6.122 18.648 ( -2.372 -3.356 6.279) 7.504 18.675 ( -0.465 1.367 3.288) 3.592 18.786 ( -1.123 -2.539 3.754) 4.669 20.116 ( -0.792 0.037 -0.486) 0.930 20.117 ( -1.000 0.025 -0.544) 1.139 20.143 ( 0.301 -0.067 -0.079) 0.318 20.144 ( 0.520 -0.087 -0.103) 0.537 20.160 ( 0.073 0.102 0.499) 0.515 20.161 ( -0.072 0.083 0.497) 0.509 22.108 ( 0.583 0.192 0.312) 0.688 22.120 ( 0.499 -0.239 -0.363) 0.662 22.138 ( 0.530 0.369 -0.806) 1.033 22.147 ( 0.483 -0.156 -0.531) 0.735 22.175 ( -0.896 0.264 1.064) 1.416 22.183 ( -1.507 -0.013 1.059) 1.842 26.909 ( -0.226 0.700 0.714) 1.025 26.943 ( -0.162 -0.841 1.505) 1.731 27.022 ( -0.020 0.151 -0.315) 0.350 27.027 ( -0.119 -0.098 0.190) 0.245 27.460 ( -0.398 1.059 1.702) 2.044 27.515 ( -0.551 -1.552 1.195) 2.035 27.575 ( -0.282 0.357 0.705) 0.839 27.579 ( -0.410 0.037 0.833) 0.929 27.682 ( 1.010 1.410 -1.557) 2.331 27.737 ( 0.651 -1.125 -1.893) 2.296 27.902 ( 0.197 0.376 0.449) 0.618 27.917 ( 0.275 -0.291 0.072) 0.406 36.557 ( 0.771 3.151 -2.620) 4.170 36.678 ( 1.262 -3.065 -5.110) 6.091 36.897 ( -0.356 1.116 3.383) 3.580 36.941 ( 0.078 -0.593 2.443) 2.516 36.990 ( 0.120 0.054 3.926) 3.929 37.063 ( -0.582 -2.154 3.557) 4.199 37.113 ( 0.898 3.479 6.336) 7.284 37.257 ( 0.783 -2.912 2.709) 4.054 37.268 ( -1.501 -2.373 6.317) 6.913 37.380 ( -0.340 -5.096 1.437) 5.306 37.773 ( -1.120 2.697 6.648) 7.261 37.867 ( 1.105 0.039 0.860) 1.401 37.899 ( -0.332 2.266 5.757) 6.196 38.031 ( -0.653 -3.308 -2.024) 3.933 38.187 ( -1.704 18.423 -0.944) 18.525 38.455 ( -0.453 9.340 -8.860) 12.882 38.825 ( -1.208 -11.310 -17.267) 20.677 39.081 ( -0.101 -22.618 -7.680) 23.886 39.955 ( 2.117 14.755 5.284) 15.815 40.076 ( 0.312 11.140 7.358) 13.354 40.500 ( -0.128 -0.296 -5.365) 5.375 40.659 ( 2.017 -8.562 -3.421) 9.439 40.950 ( -1.637 1.329 -2.114) 2.986 41.076 ( 5.264 -5.497 -2.088) 7.892 ======================= Grid point 55 (26/84) ======================= q-point: ( 0.11 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.040 ( 15.245 10.248 18.229) 25.879 1.217 ( 21.176 13.125 17.776) 30.605 1.538 ( 5.331 -17.975 8.313) 20.509 1.899 ( 9.547 -19.079 6.265) 22.235 2.030 ( 5.023 15.526 19.083) 25.109 2.140 ( 6.949 10.612 -4.056) 13.317 2.444 ( 7.380 9.813 0.661) 12.296 2.478 ( 5.443 8.158 -11.355) 15.004 2.576 ( 3.978 5.101 -8.126) 10.386 2.793 ( -8.489 8.989 -1.899) 12.509 2.867 ( -1.834 5.381 -7.784) 9.639 3.041 ( -5.283 1.007 1.272) 5.526 3.227 ( -0.948 3.384 1.492) 3.818 3.251 ( -2.817 -7.080 -1.483) 7.762 3.284 ( -7.261 -1.110 2.180) 7.662 3.504 ( 6.177 1.512 -0.872) 6.419 3.578 ( -5.769 -7.791 9.283) 13.422 3.638 ( -3.286 -0.053 0.150) 3.289 3.691 ( -0.167 -0.452 -6.597) 6.614 3.778 ( -0.010 -3.322 1.779) 3.769 3.845 ( 2.959 -5.472 1.961) 6.523 3.921 ( 0.427 -5.152 -1.774) 5.465 4.072 ( 3.509 -2.533 3.319) 5.454 4.117 ( 11.681 -2.966 1.917) 12.203 4.158 ( 7.752 0.060 -6.230) 9.946 4.235 ( 1.591 4.290 1.831) 4.928 4.355 ( 0.265 -7.116 -0.744) 7.160 4.458 ( -1.441 -3.225 0.707) 3.602 4.512 ( 8.255 -0.641 1.756) 8.464 4.603 ( -0.204 -7.016 5.380) 8.844 4.641 ( 2.169 7.150 -4.526) 8.736 4.797 ( -0.358 -1.255 -2.180) 2.541 4.863 ( 3.646 0.070 0.701) 3.713 4.949 ( 2.933 -4.667 -2.505) 6.055 5.095 ( 6.412 5.100 2.806) 8.660 5.150 ( 3.261 4.905 3.401) 6.801 5.237 ( 0.726 1.500 -2.777) 3.239 5.346 ( 9.186 -8.287 -1.135) 12.423 5.537 ( 3.440 1.456 -1.191) 3.920 5.599 ( 0.983 2.528 6.061) 6.640 5.642 ( 0.199 0.623 -2.464) 2.549 5.698 ( 0.843 -0.194 0.256) 0.903 5.817 ( 5.161 1.369 0.758) 5.393 5.877 ( 1.651 2.320 4.589) 5.401 5.899 ( 5.464 3.578 2.175) 6.884 6.031 ( 2.540 5.521 -3.104) 6.824 6.082 ( 1.442 -4.970 -1.595) 5.415 6.168 ( 0.802 2.300 0.754) 2.549 6.209 ( 6.789 -7.686 -1.049) 10.308 6.256 ( 4.460 0.438 -2.700) 5.232 6.364 ( 5.973 -6.313 0.129) 8.691 6.464 ( 0.077 0.272 -4.175) 4.184 6.500 ( 7.579 3.969 -0.204) 8.558 6.652 ( 6.755 7.971 -0.411) 10.456 6.820 ( 1.255 -4.806 1.335) 5.144 6.884 ( 2.076 -9.207 1.737) 9.596 6.963 ( 1.293 1.473 -2.785) 3.405 7.027 ( -1.250 0.153 -2.306) 2.627 7.104 ( -0.252 -1.312 0.009) 1.336 7.149 ( -1.247 -0.754 0.619) 1.583 7.210 ( 7.463 1.153 1.989) 7.809 7.255 ( -0.623 1.948 -3.120) 3.730 7.293 ( -1.898 -0.093 -0.307) 1.925 7.359 ( 2.256 -0.517 -5.564) 6.027 7.461 ( 4.819 0.923 4.056) 6.366 7.547 ( 0.919 -0.658 -1.127) 1.596 7.568 ( 1.360 4.061 2.899) 5.172 7.695 ( 4.991 3.261 0.026) 5.962 7.743 ( 3.339 -2.619 3.232) 5.334 7.867 ( 0.517 -1.317 -0.323) 1.451 7.904 ( 1.111 5.578 0.868) 5.753 7.929 ( -1.221 -1.987 6.752) 7.144 7.961 ( 0.381 -3.871 -2.071) 4.406 8.032 ( 2.292 -1.532 2.299) 3.589 8.106 ( -0.509 -5.974 -6.161) 8.597 8.193 ( 1.159 -2.332 1.749) 3.137 8.211 ( -2.326 -0.956 -1.696) 3.033 8.371 ( 1.289 4.150 -3.676) 5.692 8.426 ( 0.578 -2.477 4.110) 4.833 8.582 ( -0.918 -3.443 -4.624) 5.838 8.591 ( 0.213 2.304 -0.175) 2.321 8.606 ( 3.898 0.349 -4.345) 5.848 8.754 ( -1.564 5.518 4.209) 7.114 8.814 ( -2.747 0.764 -1.781) 3.362 8.889 ( -0.822 -3.054 0.728) 3.245 8.924 ( -1.143 1.260 -3.579) 3.963 8.978 ( -0.130 -1.694 -4.143) 4.478 9.073 ( -0.259 -0.572 -0.303) 0.697 9.085 ( 0.201 -0.744 0.885) 1.173 9.196 ( -1.610 -3.074 -7.295) 8.078 9.268 ( -1.680 2.802 -1.722) 3.694 9.333 ( -1.519 0.697 -2.790) 3.252 9.435 ( -3.190 7.601 1.151) 8.324 9.530 ( -3.712 7.265 -3.649) 8.937 9.601 ( -1.302 -1.768 -0.294) 2.215 9.615 ( -1.913 -1.148 -1.761) 2.843 9.639 ( -0.638 -2.587 1.596) 3.106 9.757 ( -2.636 2.570 -2.239) 4.309 9.865 ( -1.626 -0.751 0.968) 2.036 9.918 ( -0.931 -5.112 0.761) 5.252 10.036 ( -2.573 1.784 1.552) 3.494 10.109 ( -1.199 5.736 4.328) 7.285 10.156 ( 2.545 -1.346 0.246) 2.890 10.362 ( -1.796 -5.490 -0.536) 5.801 10.587 ( -9.774 3.965 -0.206) 10.550 10.592 ( -1.439 5.428 6.149) 8.327 10.814 ( -7.013 -5.770 0.135) 9.082 10.835 ( -11.742 -8.627 1.736) 14.673 11.123 ( -1.681 3.274 -2.873) 4.669 11.252 ( -11.303 4.271 1.935) 12.237 11.295 ( -3.946 -0.031 -0.289) 3.957 11.376 ( -7.487 2.574 0.423) 7.929 11.564 ( 1.019 -0.853 -0.401) 1.388 11.808 ( -5.782 5.209 5.282) 9.405 11.861 ( -2.444 -2.277 7.649) 8.347 12.135 ( -9.454 -12.425 0.987) 15.644 12.450 ( 1.808 0.990 -0.977) 2.281 12.539 ( 0.344 -1.693 -6.291) 6.524 12.600 ( 9.106 4.693 4.474) 11.178 12.974 ( 15.715 -23.609 6.525) 29.102 14.022 ( -1.943 11.244 -8.353) 14.141 14.191 ( -4.464 -5.063 -1.882) 7.008 14.307 ( -11.762 3.434 -5.947) 13.620 14.378 ( -4.829 3.967 -2.719) 6.815 14.477 ( -5.583 5.952 -1.445) 8.287 14.569 ( -2.507 -0.595 3.862) 4.642 14.744 ( 1.403 5.110 -3.389) 6.290 14.882 ( 0.136 -2.334 0.590) 2.411 16.094 ( 0.684 0.148 -2.407) 2.507 16.159 ( -2.865 -4.366 2.116) 5.635 16.524 ( 3.260 5.021 -10.738) 12.294 16.591 ( 4.136 0.362 -6.063) 7.349 16.952 ( 1.288 2.258 -2.189) 3.398 17.027 ( 0.150 -2.268 -2.510) 3.386 17.059 ( 0.764 4.752 -3.715) 6.080 17.219 ( -1.215 2.140 4.561) 5.183 17.322 ( -1.081 -4.000 1.135) 4.296 17.368 ( -1.102 0.635 2.673) 2.961 17.446 ( 0.101 -0.925 3.923) 4.032 17.532 ( 0.703 -0.609 1.382) 1.666 17.571 ( -0.340 3.564 -3.110) 4.743 17.663 ( -2.453 -3.440 1.381) 4.444 17.754 ( -0.986 0.895 -1.719) 2.174 17.802 ( 0.235 -0.475 -0.333) 0.626 17.840 ( -3.908 0.590 -3.552) 5.314 17.870 ( -1.880 -0.469 -1.981) 2.772 17.932 ( 1.217 5.728 0.266) 5.862 18.119 ( -0.391 4.258 4.312) 6.073 18.204 ( -0.099 -2.697 3.148) 4.146 18.223 ( -1.101 1.989 0.290) 2.292 18.273 ( -0.476 -2.758 -1.226) 3.056 18.330 ( 0.065 -3.017 3.512) 4.630 18.462 ( -2.910 2.813 4.311) 5.913 18.628 ( -4.463 -4.121 6.249) 8.715 18.690 ( -0.769 1.784 3.193) 3.737 18.787 ( -1.847 -2.055 3.566) 4.511 20.234 ( 10.916 0.126 0.020) 10.916 20.239 ( 11.118 -0.074 0.137) 11.119 20.267 ( 10.912 -0.149 0.599) 10.929 20.273 ( 11.707 -0.406 0.766) 11.739 20.324 ( 16.836 3.224 -2.129) 17.274 20.559 ( 33.457 -9.394 -16.288) 38.379 22.092 ( -2.782 0.352 -0.389) 2.831 22.099 ( -2.340 -0.000 0.437) 2.381 22.113 ( -2.409 0.305 -1.069) 2.653 22.126 ( -1.994 -0.272 -1.343) 2.419 22.148 ( -3.096 0.107 1.591) 3.483 22.155 ( -2.395 -0.220 1.777) 2.990 26.916 ( 0.091 0.758 1.073) 1.317 26.953 ( -0.185 -0.950 1.430) 1.727 27.020 ( 0.268 0.298 -0.684) 0.793 27.029 ( 0.125 -0.171 0.213) 0.300 27.462 ( -0.923 0.961 1.914) 2.332 27.509 ( -1.097 -1.172 1.162) 1.982 27.561 ( -1.606 0.219 0.600) 1.729 27.566 ( -1.374 0.076 0.609) 1.505 27.696 ( 1.409 0.828 -1.183) 2.018 27.732 ( 0.464 -0.804 -1.933) 2.144 27.890 ( -1.643 0.338 0.559) 1.768 27.904 ( -1.529 -0.291 0.221) 1.572 36.578 ( 3.003 2.478 -1.595) 4.208 36.680 ( 3.287 -2.263 -5.184) 6.542 36.946 ( 1.986 -0.259 3.456) 3.994 36.986 ( 1.676 -2.522 3.634) 4.730 37.055 ( 3.186 -0.181 4.838) 5.796 37.093 ( 1.176 -1.529 3.725) 4.195 37.191 ( 1.864 5.217 5.027) 7.481 37.247 ( 1.884 1.500 -2.888) 3.760 37.371 ( 1.929 -2.587 10.184) 10.683 37.430 ( 2.584 -5.589 4.973) 7.915 37.798 ( -0.550 4.825 4.403) 6.555 37.936 ( 4.288 1.776 0.592) 4.679 37.947 ( 0.314 1.107 4.918) 5.051 38.030 ( 2.293 -0.571 -1.104) 2.608 38.150 ( -1.402 10.813 0.529) 10.916 38.359 ( -1.455 9.355 -8.572) 12.772 38.599 ( -6.486 -8.774 -17.663) 20.761 38.957 ( -4.191 -16.881 -11.282) 20.732 39.935 ( -9.405 9.393 6.298) 14.709 40.049 ( -10.605 7.097 7.417) 14.760 40.068 ( -39.952 11.505 14.265) 43.955 40.484 ( -15.617 -8.663 -6.502) 19.006 40.672 ( -22.187 -1.055 0.786) 22.226 40.718 ( -24.247 -2.317 5.865) 25.054 ======================= Grid point 56 (27/84) ======================= q-point: ( 0.22 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( 16.671 9.884 12.539) 23.083 1.753 ( 19.539 8.731 14.968) 26.116 1.811 ( 10.870 -4.131 8.855) 14.616 2.123 ( 7.598 -3.020 9.230) 12.330 2.149 ( 9.483 -5.538 -2.626) 11.291 2.268 ( 3.145 -1.947 -3.766) 5.279 2.440 ( 3.443 6.456 -18.479) 19.875 2.536 ( 0.397 2.867 -8.708) 9.177 2.566 ( 0.457 0.887 0.666) 1.200 2.806 ( 1.905 2.855 -2.903) 4.495 2.838 ( 6.254 3.740 11.442) 13.566 3.025 ( -0.940 7.045 9.403) 11.787 3.143 ( -7.705 1.120 -0.454) 7.799 3.156 ( -4.549 -0.898 -0.321) 4.648 3.242 ( 1.778 -0.245 -0.284) 1.818 3.481 ( -9.124 8.991 4.310) 13.515 3.570 ( -4.211 3.666 8.781) 10.406 3.616 ( -1.457 3.444 -5.812) 6.911 3.660 ( 8.064 3.004 -2.048) 8.846 3.798 ( 1.904 -4.438 -6.481) 8.083 3.850 ( -0.075 1.938 1.340) 2.357 3.985 ( -9.258 -8.122 -0.623) 12.332 4.001 ( 2.266 -5.300 -0.861) 5.828 4.190 ( 2.672 -10.938 0.368) 11.266 4.272 ( 4.851 0.682 -2.748) 5.617 4.383 ( -0.144 -1.334 -3.427) 3.680 4.445 ( 7.126 -0.347 7.518) 10.364 4.468 ( 8.078 -2.634 -3.862) 9.333 4.618 ( -1.090 -4.564 0.312) 4.702 4.663 ( 7.617 -2.604 -3.685) 8.853 4.719 ( 8.248 2.744 2.251) 8.979 4.842 ( 4.188 -2.499 1.998) 5.270 4.941 ( 4.884 -2.010 1.275) 5.433 5.021 ( 6.618 -4.320 -1.516) 8.047 5.227 ( 5.956 4.167 -0.062) 7.270 5.243 ( 3.797 7.122 -3.105) 8.648 5.289 ( 5.510 4.623 5.423) 9.008 5.491 ( 4.898 -5.746 -1.566) 7.711 5.556 ( -0.202 0.536 -4.669) 4.704 5.642 ( 2.113 -2.331 -4.179) 5.231 5.683 ( 2.969 2.424 6.130) 7.230 5.733 ( 2.577 4.066 0.220) 4.819 5.899 ( 2.111 -0.465 4.155) 4.684 5.980 ( 7.698 -0.111 -2.760) 8.179 6.007 ( 1.214 5.275 1.765) 5.693 6.081 ( 2.261 2.191 -0.726) 3.231 6.134 ( 3.526 0.209 5.133) 6.231 6.238 ( 8.876 1.582 0.753) 9.047 6.340 ( 6.619 -0.028 -1.867) 6.878 6.386 ( 6.599 -2.709 2.640) 7.606 6.465 ( 3.433 -3.959 0.657) 5.282 6.527 ( 11.630 -5.355 -1.992) 12.957 6.677 ( 9.536 5.718 -1.392) 11.206 6.814 ( 6.657 -4.495 -1.648) 8.200 6.859 ( 1.718 -1.407 -1.140) 2.496 6.952 ( 3.615 -1.346 -4.855) 6.201 6.988 ( 2.934 -8.466 3.967) 9.799 7.016 ( 3.521 2.897 0.203) 4.564 7.080 ( 0.017 -1.861 3.725) 4.164 7.216 ( 1.224 -1.400 3.094) 3.610 7.234 ( 1.724 1.350 -0.785) 2.326 7.297 ( 6.977 5.650 -1.822) 9.161 7.349 ( 5.187 2.261 -4.810) 7.427 7.430 ( 9.642 -1.909 -2.543) 10.153 7.584 ( 5.538 2.646 0.942) 6.209 7.603 ( 3.962 2.097 4.269) 6.191 7.664 ( 3.253 -1.627 5.965) 6.986 7.788 ( 4.221 -2.747 -2.013) 5.424 7.839 ( 0.472 -1.616 2.033) 2.639 7.859 ( 0.520 -1.226 -0.976) 1.651 7.901 ( 3.122 3.638 1.122) 4.923 7.955 ( 1.066 -0.182 1.718) 2.030 8.018 ( 3.179 -2.529 5.246) 6.635 8.029 ( -0.159 2.753 -4.785) 5.523 8.057 ( -0.364 0.668 -3.309) 3.395 8.190 ( 1.980 -2.938 -0.483) 3.576 8.262 ( 1.993 -4.424 -1.028) 4.960 8.356 ( 0.620 -3.461 -1.654) 3.886 8.475 ( 0.616 -2.544 3.189) 4.126 8.498 ( -2.528 -2.045 -3.829) 5.023 8.584 ( -0.571 1.760 -0.832) 2.029 8.661 ( 1.782 0.494 0.341) 1.880 8.728 ( -2.169 0.505 -0.791) 2.363 8.773 ( -1.779 6.424 0.596) 6.692 8.823 ( -2.315 1.765 -8.077) 8.586 8.896 ( -0.054 2.016 1.079) 2.287 8.947 ( -1.886 1.396 0.648) 2.434 9.047 ( -4.284 -3.377 -5.629) 7.839 9.068 ( -0.756 -1.724 0.736) 2.021 9.139 ( -0.344 -3.471 2.468) 4.272 9.229 ( -0.642 2.466 -2.026) 3.256 9.281 ( -1.926 1.699 -2.769) 3.777 9.364 ( -4.236 6.940 1.430) 8.255 9.432 ( -2.794 6.878 -2.085) 7.711 9.532 ( -4.903 -0.444 -1.330) 5.100 9.565 ( -2.867 -0.288 -2.213) 3.633 9.579 ( -5.785 -4.343 2.408) 7.624 9.669 ( -5.104 2.380 -0.594) 5.663 9.832 ( -1.329 -4.061 -1.980) 4.710 9.896 ( -3.551 -1.882 0.207) 4.024 9.982 ( -4.072 1.411 1.532) 4.574 10.064 ( -5.627 3.652 1.725) 6.926 10.167 ( -2.574 -4.593 2.423) 5.796 10.292 ( -4.178 -7.655 -4.068) 9.623 10.403 ( -7.940 4.250 -0.599) 9.026 10.526 ( -9.774 2.544 3.665) 10.744 10.587 ( -12.631 -2.256 0.021) 12.831 10.706 ( -5.656 -1.981 0.967) 6.071 10.958 ( -13.069 8.551 -1.068) 15.655 11.045 ( -6.493 4.339 -3.541) 8.575 11.192 ( -9.204 5.837 -1.899) 11.063 11.210 ( -4.626 -2.368 3.667) 6.361 11.521 ( -3.648 -4.957 -4.385) 7.557 11.786 ( -4.392 -0.664 1.423) 4.665 11.893 ( -10.187 -5.352 5.679) 12.832 11.970 ( 1.170 -1.744 10.271) 10.484 12.456 ( 1.610 0.013 -4.058) 4.366 12.480 ( 0.938 -0.490 -4.162) 4.294 12.822 ( 5.980 4.254 1.151) 7.428 13.197 ( 4.735 -18.036 1.280) 18.691 13.893 ( -5.072 11.167 -2.762) 12.572 14.016 ( -11.104 2.648 -2.373) 11.659 14.131 ( -0.709 -6.192 -1.565) 6.426 14.220 ( -6.932 -3.003 -0.713) 7.588 14.440 ( -0.725 7.010 0.665) 7.079 14.569 ( -1.357 -1.445 3.277) 3.830 14.726 ( -0.206 4.884 -3.152) 5.816 14.881 ( -0.340 -2.773 -1.378) 3.115 16.108 ( 2.338 0.313 -1.812) 2.975 16.155 ( 0.717 -2.400 0.665) 2.592 16.539 ( 5.341 4.043 -6.926) 9.635 16.622 ( 3.991 -0.314 -5.577) 6.865 16.971 ( 2.273 0.591 -1.635) 2.862 17.016 ( 1.026 -1.900 -3.028) 3.719 17.076 ( 1.745 5.084 0.888) 5.448 17.242 ( -0.917 2.080 5.241) 5.713 17.308 ( -1.021 -2.600 1.099) 3.002 17.367 ( -1.357 0.762 2.471) 2.920 17.481 ( 0.470 1.074 2.266) 2.552 17.538 ( -0.823 1.232 -0.347) 1.522 17.568 ( 1.947 -1.406 -0.448) 2.443 17.638 ( -1.724 -3.149 2.768) 4.533 17.703 ( -1.556 1.524 -5.746) 6.146 17.758 ( -1.998 1.686 0.338) 2.636 17.798 ( -0.573 -1.153 -1.274) 1.811 17.813 ( -2.386 -1.206 -1.288) 2.968 17.951 ( 1.025 3.815 -1.253) 4.145 18.146 ( 1.161 0.288 -0.931) 1.515 18.179 ( -3.265 -0.264 2.984) 4.431 18.193 ( -1.684 1.429 -1.765) 2.827 18.276 ( 0.014 -0.784 2.553) 2.670 18.352 ( -0.383 -4.701 2.141) 5.180 18.442 ( -2.504 2.717 3.273) 4.936 18.596 ( -4.199 -3.918 6.916) 8.990 18.700 ( -0.226 2.320 1.511) 2.778 18.776 ( -1.883 -1.325 2.817) 3.638 20.511 ( 16.778 -0.153 0.699) 16.793 20.527 ( 17.786 -0.453 0.355) 17.796 20.558 ( 17.822 0.248 1.228) 17.866 20.610 ( 19.690 -1.254 4.482) 20.233 20.676 ( 21.143 6.109 -5.210) 22.616 20.972 ( 24.688 -8.213 -18.548) 31.953 21.997 ( -6.450 0.857 -1.068) 6.594 22.019 ( -6.046 0.312 -1.466) 6.229 22.030 ( -5.697 -0.633 0.331) 5.742 22.042 ( -5.327 -0.498 -2.201) 5.786 22.086 ( -5.039 0.827 2.424) 5.653 22.118 ( -3.572 -0.751 3.377) 4.973 26.928 ( 0.122 0.572 1.258) 1.387 26.958 ( -0.395 -0.822 1.069) 1.405 27.022 ( 0.642 0.395 -0.865) 1.147 27.034 ( 0.358 -0.210 -0.068) 0.421 27.458 ( -1.111 0.793 1.992) 2.415 27.493 ( -1.327 -0.671 1.094) 1.846 27.529 ( -1.947 0.124 0.390) 1.990 27.542 ( -1.439 -0.170 0.394) 1.502 27.713 ( 1.372 0.187 -1.246) 1.862 27.725 ( 0.460 -0.308 -1.799) 1.883 27.854 ( -2.264 0.309 0.278) 2.301 27.868 ( -2.190 -0.285 0.198) 2.217 36.638 ( 4.556 1.800 -1.865) 5.242 36.715 ( 4.722 -1.549 -5.559) 7.456 37.012 ( 2.319 -1.605 1.781) 3.336 37.042 ( 0.693 -3.917 3.834) 5.524 37.170 ( 3.494 0.623 5.178) 6.277 37.207 ( 6.123 -1.397 6.167) 8.801 37.262 ( 3.272 4.361 0.175) 5.455 37.288 ( 4.880 3.637 -1.349) 6.234 37.514 ( 3.733 -0.032 11.276) 11.878 37.544 ( 3.806 -4.050 6.820) 8.798 37.804 ( -1.783 7.692 1.371) 8.014 37.985 ( 1.843 0.716 0.152) 1.983 38.015 ( 3.729 2.119 -2.444) 4.937 38.125 ( 7.107 0.821 2.742) 7.662 38.153 ( 1.745 -0.549 -1.547) 2.396 38.265 ( -5.147 -0.052 -5.812) 7.764 38.356 ( -2.120 2.910 -7.533) 8.349 38.754 ( -6.077 -10.088 -12.362) 17.074 39.454 ( -36.065 11.151 23.957) 44.710 39.717 ( -17.508 3.391 2.344) 17.987 39.829 ( -17.924 -1.658 3.835) 18.405 40.014 ( -24.485 -7.324 -7.824) 26.728 40.172 ( -28.495 2.477 1.020) 28.621 40.313 ( -23.474 -2.379 3.826) 23.902 ======================= Grid point 57 (28/84) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 14.333 6.532 4.911) 16.499 2.007 ( 8.628 2.847 -2.508) 9.426 2.177 ( 7.723 1.996 6.188) 10.096 2.222 ( 7.357 1.388 -2.384) 7.857 2.328 ( 7.026 -2.461 -6.071) 9.606 2.384 ( 5.043 2.740 -8.213) 10.019 2.393 ( 8.445 -3.670 3.665) 9.911 2.496 ( 2.471 0.949 0.887) 2.791 2.630 ( 0.328 -0.142 3.852) 3.869 2.780 ( -1.844 -4.171 -3.508) 5.754 2.905 ( -4.384 0.193 2.373) 4.989 3.007 ( -7.220 1.379 2.356) 7.719 3.094 ( -0.105 -0.366 1.749) 1.790 3.112 ( -2.172 10.057 7.552) 12.764 3.271 ( 2.275 -0.454 -2.354) 3.305 3.348 ( -4.927 3.975 0.240) 6.335 3.517 ( -3.187 2.583 -1.775) 4.470 3.586 ( -4.179 -0.479 -0.170) 4.209 3.687 ( -6.647 -4.879 -6.267) 10.357 3.775 ( -3.836 4.662 5.365) 8.076 3.841 ( 6.095 4.790 -0.811) 7.794 3.919 ( 5.149 5.250 0.323) 7.361 4.042 ( 4.621 -4.106 -0.593) 6.210 4.182 ( -2.950 -0.481 -2.866) 4.141 4.249 ( -1.543 -1.471 -6.244) 6.598 4.454 ( 6.261 -11.155 4.956) 13.718 4.571 ( 5.667 -1.999 5.456) 8.117 4.604 ( -0.115 -0.600 1.413) 1.539 4.671 ( 7.042 0.365 2.531) 7.491 4.811 ( 7.623 -2.411 -1.020) 8.060 4.850 ( 2.285 -0.086 1.677) 2.836 4.909 ( 2.683 -0.212 1.019) 2.878 5.078 ( 8.611 -0.994 -0.615) 8.690 5.187 ( 8.825 -6.056 -0.542) 10.717 5.283 ( 3.777 7.238 -2.615) 8.573 5.390 ( 9.267 0.171 1.718) 9.426 5.416 ( 2.909 1.614 3.273) 4.667 5.470 ( -1.445 2.887 -3.914) 5.074 5.522 ( -2.170 -3.809 0.175) 4.388 5.602 ( -1.194 -1.541 -5.816) 6.134 5.779 ( 1.722 4.993 4.495) 6.935 5.804 ( 3.997 4.134 0.613) 5.783 5.969 ( 2.600 0.362 1.299) 2.929 6.032 ( -1.674 2.916 0.371) 3.383 6.072 ( 0.670 3.074 3.231) 4.510 6.133 ( 5.527 2.099 1.517) 6.104 6.288 ( 4.980 -4.296 6.589) 9.310 6.371 ( 6.938 -0.350 -0.175) 6.949 6.436 ( -0.484 -0.259 -3.141) 3.189 6.465 ( 4.263 -7.007 -0.570) 8.221 6.594 ( 6.301 0.388 -0.455) 6.329 6.718 ( 3.292 -4.760 -3.084) 6.558 6.773 ( -2.521 -0.702 -0.577) 2.680 6.883 ( 0.360 -1.613 0.913) 1.888 6.890 ( 13.935 2.940 -0.272) 14.245 6.995 ( -0.436 -4.730 -2.067) 5.181 7.065 ( 10.232 -1.273 2.521) 10.615 7.163 ( 4.774 2.723 4.783) 7.286 7.218 ( 11.210 -1.113 -0.291) 11.269 7.281 ( 5.189 -6.192 6.275) 10.230 7.359 ( 6.585 5.378 -2.301) 8.808 7.394 ( 6.579 5.177 -2.214) 8.659 7.499 ( 11.662 0.230 -1.819) 11.806 7.599 ( 9.460 0.701 -1.565) 9.614 7.643 ( 1.872 1.876 -3.077) 4.061 7.697 ( -1.949 -2.083 5.525) 6.218 7.754 ( 3.225 -1.184 2.985) 4.551 7.824 ( 0.085 -4.401 -2.825) 5.230 7.855 ( 4.078 -1.391 -0.619) 4.353 7.899 ( 4.459 0.862 -1.878) 4.915 7.970 ( -2.284 -0.594 -0.038) 2.361 7.988 ( 2.151 0.558 -4.656) 5.160 8.032 ( 4.218 -1.041 2.249) 4.892 8.057 ( 2.201 1.682 3.525) 4.483 8.171 ( 2.591 -2.786 0.898) 3.909 8.220 ( 5.451 -0.728 0.212) 5.503 8.285 ( 3.852 1.384 1.444) 4.340 8.363 ( -0.832 -0.242 0.200) 0.890 8.452 ( 0.241 -3.591 1.328) 3.837 8.466 ( -1.947 -1.133 -0.700) 2.358 8.578 ( -2.115 0.768 2.587) 3.429 8.647 ( -3.339 -0.717 -0.457) 3.445 8.679 ( -2.275 -1.959 -1.840) 3.521 8.719 ( -4.991 0.709 -1.331) 5.214 8.745 ( -0.416 1.712 -2.240) 2.849 8.837 ( -3.340 5.920 0.470) 6.814 8.931 ( -0.896 3.718 2.806) 4.743 8.969 ( -0.960 -0.098 -1.276) 1.599 9.060 ( -2.605 -3.612 1.870) 4.831 9.135 ( -0.524 -2.140 -1.104) 2.465 9.182 ( -1.932 0.975 -0.766) 2.296 9.225 ( -1.940 2.039 -3.431) 4.438 9.288 ( -6.042 4.462 -0.116) 7.511 9.386 ( -2.465 2.480 -3.341) 4.836 9.441 ( -0.227 -0.233 -2.949) 2.967 9.463 ( -1.746 3.997 1.118) 4.503 9.498 ( -4.551 -2.933 0.103) 5.416 9.613 ( -2.300 -0.644 5.724) 6.203 9.738 ( -9.540 -1.370 -1.217) 9.715 9.757 ( -6.090 -0.752 -1.821) 6.401 9.907 ( -5.392 -0.834 -0.819) 5.517 9.948 ( -6.251 0.944 -0.059) 6.322 10.090 ( -7.297 -3.575 0.190) 8.128 10.157 ( -4.408 -5.106 -2.880) 7.335 10.277 ( -6.385 2.920 -0.381) 7.031 10.334 ( -10.639 -0.603 1.845) 10.815 10.397 ( -5.553 3.999 -0.719) 6.881 10.549 ( -7.508 -0.917 -1.334) 7.681 10.819 ( -3.231 4.676 1.384) 5.850 10.869 ( -7.383 1.889 -5.913) 9.646 11.021 ( -4.332 7.195 -3.144) 8.967 11.199 ( -1.081 -0.617 3.600) 3.809 11.370 ( -6.501 -5.713 -4.947) 9.969 11.580 ( -10.678 -8.809 -1.048) 13.883 11.866 ( -1.569 6.935 4.041) 8.178 12.078 ( -0.154 -4.044 6.786) 7.901 12.463 ( 2.411 0.275 -1.578) 2.894 12.504 ( 2.178 -1.263 0.306) 2.536 12.832 ( -1.872 6.044 -2.798) 6.918 13.207 ( -2.171 -13.136 -2.102) 13.479 13.807 ( -3.772 9.128 2.233) 10.126 13.915 ( 0.696 1.718 1.112) 2.161 14.110 ( -4.975 -5.057 2.038) 7.381 14.121 ( 0.494 -7.626 -2.536) 8.052 14.433 ( 0.114 7.855 -0.682) 7.885 14.563 ( -1.485 0.416 1.279) 2.003 14.699 ( 0.581 2.602 -2.841) 3.896 14.841 ( -1.750 -3.351 -3.126) 4.905 16.147 ( 2.336 0.389 -0.233) 2.380 16.180 ( 1.234 -1.387 0.175) 1.865 16.599 ( 5.215 2.547 -4.413) 7.292 16.653 ( 3.201 -0.146 -3.941) 5.079 17.008 ( 1.939 -0.478 -0.412) 2.039 17.016 ( 1.841 -0.944 -3.106) 3.732 17.130 ( 2.320 3.260 2.246) 4.589 17.247 ( -2.231 -1.587 3.205) 4.215 17.320 ( 0.294 1.512 3.149) 3.506 17.350 ( -2.199 1.603 2.037) 3.400 17.491 ( 0.009 3.783 -0.924) 3.894 17.523 ( -0.633 -0.267 0.148) 0.703 17.605 ( 2.105 -0.727 -2.127) 3.079 17.622 ( -1.791 1.383 -1.660) 2.806 17.651 ( -0.712 -3.856 4.491) 5.962 17.745 ( -2.271 -2.589 -0.752) 3.526 17.754 ( 0.985 0.286 -1.921) 2.177 17.784 ( -0.467 -0.710 -0.239) 0.882 17.949 ( 0.312 3.191 -2.122) 3.845 18.107 ( -0.472 -3.522 -5.843) 6.839 18.134 ( -1.946 4.193 -2.537) 5.272 18.200 ( -0.582 1.409 5.958) 6.150 18.284 ( -0.767 -1.994 0.737) 2.260 18.354 ( -0.649 -5.446 0.490) 5.507 18.421 ( -2.035 4.083 2.861) 5.385 18.578 ( -3.651 -2.849 6.691) 8.137 18.705 ( -0.042 2.109 0.342) 2.137 18.762 ( -1.573 -0.726 1.752) 2.464 20.872 ( 19.094 -0.759 1.146) 19.143 20.887 ( 19.216 -1.682 -1.098) 19.321 20.953 ( 19.926 2.785 4.018) 20.517 21.022 ( 19.480 5.290 -5.483) 20.917 21.061 ( 20.119 -1.929 7.412) 21.528 21.245 ( 18.136 -5.138 -14.252) 23.631 21.822 ( -10.478 1.285 -1.632) 10.682 21.848 ( -10.096 0.719 -2.192) 10.356 21.876 ( -9.313 -1.059 -3.086) 9.868 21.891 ( -9.294 -1.698 0.363) 9.454 21.990 ( -7.386 2.466 3.377) 8.488 22.075 ( -4.575 -1.724 5.333) 7.235 26.938 ( -0.106 0.241 1.107) 1.138 26.955 ( -0.554 -0.558 0.692) 1.047 27.029 ( 0.830 0.380 -0.854) 1.250 27.040 ( 0.417 -0.133 -0.431) 0.614 27.453 ( -0.971 0.573 1.844) 2.162 27.480 ( -0.895 -0.274 1.157) 1.488 27.497 ( -1.546 0.120 0.349) 1.590 27.520 ( -1.077 -0.426 0.431) 1.236 27.720 ( 0.605 -0.003 -1.393) 1.519 27.730 ( 1.305 -0.280 -1.434) 1.959 27.812 ( -1.972 0.451 -0.180) 2.031 27.829 ( -1.834 -0.224 -0.133) 1.852 36.715 ( 5.125 1.165 -2.715) 5.915 36.767 ( 5.440 -1.081 -5.931) 8.120 37.048 ( -0.564 -1.908 1.931) 2.772 37.080 ( 0.578 -3.970 2.324) 4.636 37.250 ( 1.710 6.473 -0.710) 6.732 37.311 ( 1.591 3.768 0.827) 4.173 37.349 ( 6.226 0.109 1.259) 6.353 37.453 ( 7.290 -3.972 5.451) 9.932 37.645 ( 0.071 -1.227 6.118) 6.241 37.703 ( 4.629 -0.197 10.355) 11.344 37.789 ( 2.744 6.458 -1.736) 7.228 37.937 ( -2.803 -0.149 -9.489) 9.896 38.039 ( 0.843 1.560 0.344) 1.806 38.163 ( 2.066 -3.253 1.667) 4.199 38.234 ( 6.481 3.518 0.931) 7.432 38.328 ( 10.850 -1.037 1.897) 11.064 38.407 ( 5.316 0.865 1.870) 5.701 38.553 ( -3.741 -3.930 -9.728) 11.140 39.041 ( -25.096 8.184 17.577) 31.714 39.335 ( -20.621 -5.940 -1.688) 21.525 39.426 ( -26.081 -3.062 -12.622) 29.136 39.462 ( -20.713 -6.710 1.364) 21.815 39.686 ( -22.165 8.835 1.473) 23.906 39.877 ( -23.091 -1.753 1.345) 23.196 ======================= Grid point 58 (29/84) ======================= q-point: ( 0.44 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.044 ( 5.419 -1.935 -5.699) 8.099 2.133 ( 4.531 -5.285 -2.601) 7.432 2.205 ( 4.180 4.998 -9.394) 11.433 2.299 ( 0.186 -0.886 -8.880) 8.926 2.420 ( -1.514 1.509 -3.917) 4.462 2.453 ( 2.480 8.330 0.162) 8.693 2.483 ( 2.183 -3.419 -0.448) 4.081 2.569 ( -0.446 0.380 -3.716) 3.762 2.641 ( 2.834 -1.063 5.646) 6.406 2.685 ( 1.508 -0.599 -3.771) 4.106 2.852 ( -6.938 1.921 1.726) 7.403 2.874 ( -5.119 2.508 6.381) 8.556 3.006 ( -8.146 7.896 0.424) 11.353 3.213 ( -0.342 -7.365 1.344) 7.494 3.238 ( -3.261 3.424 -1.098) 4.854 3.338 ( 7.011 -1.730 -3.222) 7.907 3.382 ( -6.385 0.118 1.605) 6.585 3.529 ( -1.412 2.784 0.605) 3.180 3.587 ( 4.574 0.430 4.088) 6.149 3.830 ( -1.569 -3.544 4.001) 5.571 3.955 ( 4.807 2.938 -1.794) 5.912 3.982 ( 1.117 5.327 0.038) 5.443 4.106 ( 1.825 7.586 3.840) 8.696 4.153 ( 4.309 1.949 -2.126) 5.185 4.236 ( 1.073 -4.282 1.447) 4.645 4.556 ( -0.016 -12.203 1.183) 12.260 4.613 ( -0.894 0.944 2.342) 2.678 4.683 ( -1.943 -1.001 3.526) 4.148 4.775 ( 5.411 2.909 -0.611) 6.174 4.884 ( 0.899 2.988 4.142) 5.186 4.931 ( 3.483 -2.911 2.001) 4.961 4.970 ( 1.691 -1.729 2.342) 3.367 5.217 ( 5.431 0.105 -1.578) 5.656 5.283 ( 1.693 -2.840 -5.373) 6.309 5.347 ( 6.497 5.071 -1.190) 8.327 5.411 ( -1.404 0.603 0.709) 1.685 5.469 ( -2.331 -0.307 2.382) 3.347 5.490 ( -1.238 1.514 -0.235) 1.970 5.518 ( 1.017 -2.267 4.419) 5.070 5.601 ( 3.767 -2.423 0.889) 4.566 5.829 ( -0.505 5.504 2.594) 6.105 5.867 ( 3.690 -1.032 -0.357) 3.848 5.940 ( -4.648 4.422 -2.224) 6.790 6.017 ( 1.066 0.882 -1.488) 2.032 6.132 ( -0.419 4.698 5.730) 7.422 6.211 ( 1.807 1.477 1.351) 2.697 6.314 ( -5.228 -6.462 -2.540) 8.691 6.407 ( 0.418 -4.670 -2.650) 5.386 6.463 ( -0.535 -4.875 -1.479) 5.123 6.517 ( 1.486 2.463 -0.088) 2.878 6.594 ( 2.245 0.390 -1.880) 2.954 6.708 ( 3.166 -1.312 3.292) 4.752 6.767 ( 0.161 -0.514 -3.534) 3.575 6.910 ( -1.244 -9.037 1.011) 9.178 7.056 ( 4.340 0.666 8.315) 9.403 7.095 ( 3.144 -2.075 4.822) 6.119 7.262 ( 5.557 1.748 -5.692) 8.145 7.290 ( 7.907 1.634 -2.813) 8.550 7.365 ( 0.499 -1.968 1.535) 2.545 7.404 ( 5.311 0.164 3.171) 6.188 7.452 ( 2.687 4.701 0.579) 5.446 7.520 ( 1.617 1.758 0.094) 2.390 7.580 ( -7.851 1.946 0.671) 8.116 7.609 ( -0.207 -2.722 -1.331) 3.037 7.670 ( 1.974 -2.042 0.123) 2.843 7.774 ( -2.490 -0.505 -2.725) 3.726 7.810 ( 3.208 -4.496 -1.678) 5.772 7.879 ( 5.681 -3.889 0.443) 6.899 7.886 ( 7.206 0.865 -3.823) 8.203 7.919 ( 2.778 0.998 0.137) 2.955 7.975 ( 7.696 -1.354 -3.789) 8.684 7.998 ( 3.235 -2.199 -4.606) 6.043 8.109 ( 0.057 3.616 3.128) 4.782 8.146 ( 5.016 2.910 -0.298) 5.807 8.247 ( 5.132 3.984 2.557) 6.982 8.266 ( -2.408 2.278 4.903) 5.918 8.336 ( -1.691 -1.231 -0.626) 2.183 8.397 ( -3.825 -0.390 3.259) 5.040 8.412 ( -0.668 1.635 2.493) 3.055 8.499 ( -3.497 -2.030 2.003) 4.512 8.542 ( 0.382 -1.975 2.187) 2.971 8.569 ( -0.427 -5.972 0.409) 6.001 8.604 ( -2.210 -1.937 -0.532) 2.987 8.643 ( -1.249 -0.041 0.238) 1.272 8.750 ( -1.292 2.494 2.791) 3.960 8.869 ( -0.666 0.665 2.196) 2.390 8.898 ( -2.070 2.532 -1.955) 3.810 8.918 ( -3.159 0.525 1.646) 3.601 9.006 ( -1.612 1.446 4.159) 4.689 9.100 ( -3.000 6.615 -1.004) 7.333 9.153 ( 0.935 -0.348 -1.712) 1.981 9.199 ( 3.229 -0.148 -1.375) 3.512 9.236 ( 2.671 -0.085 -2.687) 3.790 9.338 ( -0.268 0.120 -1.281) 1.314 9.369 ( -0.825 1.828 -4.918) 5.311 9.416 ( -3.141 -1.719 0.697) 3.648 9.506 ( -3.566 -6.191 2.589) 7.599 9.549 ( -6.371 -0.666 -0.674) 6.442 9.665 ( 4.522 2.576 6.134) 8.045 9.700 ( -0.253 1.444 5.379) 5.575 9.755 ( -6.223 1.294 -2.632) 6.880 9.859 ( -3.494 -1.540 -1.116) 3.978 9.989 ( -1.260 1.418 -0.365) 1.932 10.024 ( -6.611 2.217 -3.020) 7.599 10.137 ( -1.195 -1.870 -5.706) 6.122 10.187 ( -4.848 -1.435 -5.886) 7.760 10.355 ( -1.040 2.648 3.532) 4.535 10.503 ( -0.521 -3.889 6.588) 7.668 10.694 ( -3.406 1.518 -7.825) 8.668 10.757 ( -0.985 -0.560 -6.013) 6.119 10.996 ( 1.986 9.685 -2.138) 10.115 11.171 ( -2.324 2.228 -0.341) 3.238 11.296 ( 1.253 -6.980 1.464) 7.241 11.410 ( -5.825 -7.069 -1.348) 9.258 11.838 ( -2.755 6.285 -1.372) 6.998 12.029 ( -5.659 -3.793 -3.759) 7.781 12.520 ( 2.365 1.040 3.415) 4.282 12.560 ( 1.504 -0.456 3.718) 4.036 12.811 ( 1.549 5.238 1.150) 5.582 13.143 ( -1.218 -10.436 -2.559) 10.814 13.781 ( -2.151 7.510 4.200) 8.870 13.951 ( 0.041 1.574 -1.044) 1.889 14.051 ( -2.284 -5.787 2.217) 6.605 14.123 ( 1.615 -7.685 -0.675) 7.882 14.434 ( 0.559 8.525 -1.215) 8.629 14.529 ( -1.471 2.229 -1.077) 2.879 14.712 ( 2.241 -0.524 -2.639) 3.502 14.774 ( -1.170 -3.451 -4.173) 5.540 16.189 ( 1.309 0.168 1.593) 2.069 16.199 ( 0.316 -0.398 0.618) 0.800 16.655 ( 3.327 1.273 -2.857) 4.566 16.677 ( 2.117 0.143 -2.832) 3.539 17.018 ( 1.117 0.089 -2.138) 2.414 17.046 ( 1.627 -1.209 -0.462) 2.079 17.197 ( 2.438 1.408 2.408) 3.704 17.225 ( -1.994 -0.681 1.903) 2.840 17.323 ( -2.409 1.371 3.146) 4.193 17.344 ( -0.780 1.956 2.798) 3.502 17.475 ( -0.450 2.827 -1.182) 3.097 17.521 ( 0.349 2.504 0.041) 2.529 17.566 ( -0.551 -0.303 -3.345) 3.404 17.625 ( 2.018 -1.468 -6.982) 7.414 17.687 ( -1.161 -4.352 6.963) 8.293 17.720 ( -0.938 -2.414 4.674) 5.344 17.752 ( 0.377 -0.180 -0.627) 0.753 17.804 ( 2.215 -0.860 -0.850) 2.524 17.937 ( 0.649 2.901 -2.277) 3.744 18.057 ( -0.006 -1.285 -4.802) 4.971 18.072 ( -2.814 4.497 -1.215) 5.442 18.233 ( 0.523 -0.612 1.387) 1.603 18.264 ( -0.715 -1.915 -1.733) 2.680 18.330 ( -1.047 -5.075 -1.442) 5.379 18.417 ( -1.328 4.437 3.455) 5.778 18.562 ( -3.605 -2.021 6.401) 7.619 18.705 ( -0.000 1.593 -0.278) 1.617 18.745 ( -1.243 -0.374 0.750) 1.499 21.222 ( 15.466 -0.533 -0.394) 15.481 21.244 ( 17.527 -1.772 0.660) 17.628 21.306 ( 12.668 2.901 -3.035) 13.345 21.354 ( 16.673 3.673 3.561) 17.440 21.427 ( 6.437 -3.004 -5.003) 8.689 21.461 ( 10.305 -1.709 4.453) 11.355 21.567 ( -13.635 1.780 -2.377) 13.955 21.620 ( -7.087 1.156 -4.721) 8.593 21.653 ( -7.099 -1.883 -0.960) 7.407 21.696 ( -9.523 -2.637 -0.154) 9.882 21.857 ( -9.149 4.823 3.855) 11.038 22.032 ( -5.096 -3.640 7.215) 9.554 26.940 ( -0.487 0.092 0.689) 0.849 26.951 ( -0.364 -0.409 0.639) 0.842 27.039 ( 0.713 0.210 -0.662) 0.995 27.042 ( 0.300 0.011 -0.742) 0.800 27.450 ( -0.886 0.358 1.569) 1.837 27.474 ( -0.998 -0.776 1.117) 1.687 27.482 ( -0.098 0.756 0.665) 1.011 27.511 ( -0.395 -0.395 0.839) 1.008 27.724 ( 0.730 -0.060 -0.760) 1.055 27.743 ( 1.235 -0.687 -1.316) 1.931 27.779 ( -0.992 0.688 -0.817) 1.457 27.797 ( -0.988 0.005 -0.785) 1.262 36.785 ( 4.536 0.657 -3.349) 5.676 36.823 ( 5.171 -1.063 -5.738) 7.797 37.022 ( -3.581 -0.655 1.946) 4.128 37.093 ( -0.520 -4.196 0.228) 4.235 37.235 ( -1.351 7.164 -3.275) 7.992 37.315 ( -1.054 5.096 -0.862) 5.275 37.416 ( -0.255 -2.032 -6.731) 7.036 37.543 ( 0.328 -5.811 -3.659) 6.875 37.666 ( -0.630 -1.496 6.596) 6.793 37.741 ( -4.362 -2.881 8.158) 9.689 37.901 ( 2.775 8.135 1.730) 8.768 37.934 ( 5.047 6.914 0.633) 8.584 38.096 ( 3.815 0.594 5.031) 6.342 38.264 ( 4.681 -4.026 3.455) 7.075 38.353 ( 1.349 6.165 -3.837) 7.386 38.490 ( 2.190 -6.152 3.719) 7.514 38.494 ( 3.556 -5.377 3.964) 7.568 38.605 ( 9.414 -3.197 0.362) 9.948 38.781 ( -11.117 8.652 7.197) 15.819 38.899 ( -10.096 1.064 -7.974) 12.909 39.036 ( -8.233 -5.977 -5.401) 11.519 39.118 ( -11.542 -6.238 -1.839) 13.248 39.328 ( -13.576 7.743 -2.305) 15.798 39.489 ( -14.576 -1.443 -2.782) 14.909 ======================= Grid point 59 (30/84) ======================= q-point: (-0.44 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -12.907 1.302 -6.393) 14.462 2.045 ( -15.872 1.846 -12.836) 20.496 2.112 ( -2.897 -6.186 -3.549) 7.698 2.190 ( -3.358 -4.456 -7.727) 9.531 2.289 ( 5.599 2.312 -6.272) 8.720 2.419 ( -3.584 -4.389 -5.823) 8.125 2.526 ( 0.637 8.897 -2.608) 9.293 2.614 ( -1.099 0.797 -7.453) 7.575 2.649 ( 0.354 -0.599 0.761) 1.031 2.694 ( 2.966 -1.070 5.225) 6.102 2.782 ( 0.071 -1.256 0.572) 1.383 2.845 ( -3.988 -2.887 3.716) 6.169 2.990 ( 2.979 3.335 5.078) 6.767 3.029 ( -4.796 2.457 -2.510) 5.945 3.264 ( 3.011 4.081 -4.739) 6.941 3.389 ( 3.545 1.221 4.459) 5.826 3.485 ( -0.649 1.774 0.817) 2.058 3.575 ( 7.233 2.628 3.316) 8.380 3.714 ( -3.573 3.282 1.082) 4.971 3.817 ( 5.179 0.130 7.627) 9.220 3.907 ( -5.373 5.934 0.676) 8.034 4.042 ( 1.145 -2.997 0.273) 3.220 4.145 ( -4.351 3.279 -0.766) 5.502 4.268 ( 4.352 1.075 8.661) 9.753 4.319 ( 7.361 -1.084 2.339) 7.800 4.481 ( -5.270 -9.462 -3.638) 11.425 4.571 ( -2.096 -0.891 -2.633) 3.482 4.632 ( -2.912 -0.625 -1.044) 3.156 4.825 ( -2.346 1.827 3.478) 4.576 4.912 ( -0.826 2.808 0.715) 3.013 4.986 ( -1.120 -2.064 6.108) 6.544 4.992 ( -3.247 -0.427 4.042) 5.202 5.226 ( -2.627 -2.572 -3.229) 4.893 5.256 ( -1.050 -2.712 -2.623) 3.916 5.348 ( -4.533 3.099 0.337) 5.502 5.400 ( -3.824 0.790 0.769) 3.980 5.475 ( 3.721 4.982 1.189) 6.331 5.517 ( 3.070 2.378 1.627) 4.211 5.593 ( -2.657 -1.717 2.441) 3.996 5.614 ( 0.294 -1.665 5.307) 5.570 5.791 ( -2.565 4.878 -0.968) 5.596 5.823 ( -2.902 4.879 -3.014) 6.427 5.955 ( 1.215 -4.696 1.767) 5.162 5.980 ( -3.582 -0.092 -2.880) 4.597 6.104 ( -6.669 0.674 -2.589) 7.186 6.154 ( 1.426 -5.574 -3.435) 6.701 6.274 ( -0.539 3.458 7.443) 8.225 6.333 ( -5.462 -6.883 3.453) 9.441 6.476 ( 2.586 4.476 -3.132) 6.044 6.551 ( 0.693 0.950 2.062) 2.374 6.685 ( 2.397 3.702 -2.566) 5.102 6.707 ( -0.076 -0.981 1.561) 1.846 6.853 ( 2.849 -7.018 4.577) 8.850 6.875 ( -0.883 -5.581 0.104) 5.651 7.051 ( -5.530 -0.511 -0.118) 5.555 7.149 ( -8.294 -3.301 0.398) 8.936 7.231 ( -5.021 -0.004 -2.990) 5.844 7.259 ( -5.116 -0.719 0.299) 5.175 7.316 ( -7.396 2.976 1.266) 8.072 7.377 ( -5.799 -0.781 0.656) 5.888 7.447 ( -1.302 -3.220 -1.682) 3.859 7.468 ( -4.933 0.214 3.529) 6.069 7.476 ( 0.943 1.994 -3.682) 4.293 7.599 ( -3.204 1.169 0.160) 3.414 7.653 ( -2.779 0.263 -0.868) 2.923 7.726 ( 2.700 -2.518 -5.794) 6.870 7.783 ( -7.055 -6.349 -4.662) 10.575 7.850 ( 0.256 0.472 -0.944) 1.086 7.932 ( -4.681 -3.035 -1.846) 5.876 7.993 ( -0.365 0.384 0.389) 0.658 8.047 ( -1.004 0.093 2.712) 2.893 8.106 ( 0.861 -1.666 -1.041) 2.145 8.163 ( -1.873 -0.972 2.445) 3.230 8.185 ( -1.590 1.192 3.607) 4.118 8.236 ( -3.544 3.286 1.839) 5.171 8.298 ( 8.961 3.704 -1.895) 9.880 8.326 ( 5.431 1.352 -2.247) 6.031 8.387 ( -4.263 -0.459 2.147) 4.795 8.440 ( 1.163 3.556 6.029) 7.095 8.495 ( -1.469 -0.637 5.335) 5.570 8.535 ( 3.696 2.775 -1.487) 4.855 8.545 ( -1.535 0.849 1.473) 2.290 8.634 ( 3.075 -1.364 5.556) 6.495 8.709 ( -1.226 -1.689 2.595) 3.330 8.737 ( 2.446 -3.430 -3.176) 5.276 8.757 ( 1.284 -1.408 0.776) 2.058 8.906 ( 2.620 3.896 -1.181) 4.842 8.953 ( -1.601 3.247 1.610) 3.962 9.026 ( 0.553 -1.851 5.273) 5.616 9.099 ( 0.653 2.883 -0.648) 3.026 9.165 ( 1.205 1.749 -2.391) 3.198 9.207 ( 0.299 4.483 -0.864) 4.575 9.261 ( 2.550 -3.189 -1.425) 4.324 9.338 ( 0.584 0.020 0.486) 0.760 9.385 ( 4.632 1.799 -3.738) 6.218 9.433 ( 2.900 -3.143 1.939) 4.695 9.509 ( 1.901 -2.487 2.114) 3.778 9.555 ( 3.669 -3.455 3.093) 5.913 9.653 ( -0.802 2.206 0.911) 2.518 9.715 ( -1.018 1.879 3.681) 4.257 9.798 ( 3.243 2.074 -1.393) 4.094 9.874 ( 3.374 2.559 2.491) 4.913 9.897 ( 1.775 -0.043 -4.456) 4.797 10.068 ( 4.623 -1.966 -4.298) 6.612 10.098 ( 5.353 1.152 -3.547) 6.524 10.173 ( 8.267 -1.487 -2.262) 8.699 10.389 ( 2.293 3.162 3.590) 5.305 10.570 ( 1.918 -4.880 0.439) 5.262 10.625 ( 0.638 -0.525 -0.638) 1.044 10.706 ( 2.553 -2.757 -10.217) 10.886 10.981 ( 0.347 9.804 -6.073) 11.538 11.222 ( 6.126 3.018 3.447) 7.650 11.311 ( 0.133 -5.895 -5.086) 7.787 11.417 ( 5.837 -6.573 6.672) 11.036 11.751 ( -2.847 5.008 -4.532) 7.330 11.859 ( -5.221 -1.247 -8.908) 10.400 12.594 ( -0.722 1.543 4.691) 4.991 12.607 ( 1.038 0.757 6.746) 6.868 12.877 ( 1.960 2.107 1.880) 3.437 13.132 ( 2.323 -9.879 -3.657) 10.788 13.781 ( -1.208 6.038 3.840) 7.257 13.910 ( -1.590 0.169 0.037) 1.600 14.028 ( -0.685 -1.264 -1.308) 1.944 14.188 ( 3.509 -7.451 2.643) 8.649 14.421 ( -0.505 4.882 -1.828) 5.237 14.509 ( 0.008 2.339 -1.508) 2.784 14.691 ( 0.407 -0.028 -4.366) 4.385 14.779 ( 3.553 -2.417 -3.918) 5.815 16.202 ( -1.058 0.518 1.934) 2.265 16.221 ( -0.213 -0.305 3.445) 3.465 16.668 ( 0.394 0.977 -2.687) 2.886 16.689 ( 1.382 0.090 -2.930) 3.241 17.020 ( 0.597 0.638 -1.628) 1.847 17.063 ( 0.562 -1.358 -0.552) 1.570 17.204 ( -1.504 1.618 1.895) 2.911 17.256 ( 1.680 -0.251 1.640) 2.361 17.310 ( -1.947 1.350 3.250) 4.022 17.345 ( -1.478 1.200 3.851) 4.296 17.459 ( 0.262 1.733 -2.525) 3.074 17.508 ( -1.853 0.734 -1.233) 2.344 17.552 ( 1.949 -1.292 -3.034) 3.830 17.597 ( 1.934 -2.128 -7.252) 7.802 17.721 ( -0.172 -3.094 5.588) 6.390 17.755 ( -0.152 1.221 4.454) 4.621 17.789 ( 1.846 -1.412 4.150) 4.756 17.830 ( 1.072 -0.973 -0.649) 1.586 17.936 ( 0.453 3.386 -1.831) 3.876 18.011 ( -2.878 3.893 0.413) 4.859 18.037 ( 1.772 -0.740 -3.553) 4.039 18.211 ( -1.316 -2.228 -4.197) 4.931 18.255 ( 1.498 -0.497 -2.829) 3.240 18.306 ( 0.333 -3.656 -2.607) 4.502 18.418 ( -1.678 3.753 3.911) 5.674 18.544 ( -3.671 -1.942 6.512) 7.724 18.701 ( -0.063 1.096 -0.598) 1.250 18.728 ( -0.841 -0.266 0.372) 0.957 21.206 ( -17.319 0.542 -0.372) 17.331 21.218 ( -17.662 0.589 -1.687) 17.753 21.253 ( -16.982 -0.488 -2.979) 17.248 21.278 ( -14.618 -3.046 0.676) 14.948 21.430 ( -1.083 4.599 1.960) 5.115 21.556 ( 12.575 -2.944 0.884) 12.946 21.657 ( 12.057 1.932 -3.935) 12.829 21.687 ( 10.793 0.057 -6.252) 12.473 21.723 ( 10.705 2.641 3.625) 11.606 21.757 ( 0.815 3.294 1.646) 3.772 21.844 ( 9.912 -2.225 7.298) 12.508 22.002 ( -4.064 -6.611 7.719) 10.945 26.934 ( -0.621 0.255 0.572) 0.882 26.950 ( -0.343 -0.477 0.549) 0.804 27.040 ( 0.120 0.132 -0.847) 0.866 27.045 ( 0.344 -0.084 -0.440) 0.565 27.443 ( -0.994 0.416 1.384) 1.754 27.471 ( -0.236 -0.822 1.067) 1.367 27.494 ( 0.443 0.655 1.034) 1.301 27.518 ( 0.245 -0.353 1.031) 1.117 27.730 ( 0.270 -0.222 -0.487) 0.600 27.749 ( -0.418 -0.807 -0.971) 1.330 27.770 ( 1.544 0.626 -1.255) 2.086 27.785 ( 0.858 0.188 -1.345) 1.607 36.831 ( 2.602 0.035 -2.681) 3.736 36.862 ( 2.045 -1.747 -3.335) 4.284 36.955 ( -3.338 1.840 0.025) 3.812 37.060 ( -2.025 -4.510 -2.434) 5.510 37.156 ( -3.043 5.110 -3.796) 7.056 37.246 ( -3.759 4.157 -5.886) 8.127 37.303 ( -4.462 -1.971 -2.757) 5.603 37.418 ( -5.839 -3.072 -11.416) 13.186 37.642 ( -5.479 3.648 1.460) 6.742 37.728 ( -5.833 -2.159 11.821) 13.358 37.929 ( -3.972 9.059 4.128) 10.718 38.059 ( -3.564 4.032 -3.268) 6.296 38.137 ( 10.193 -0.572 9.176) 13.727 38.326 ( -5.827 -0.588 5.612) 8.112 38.339 ( -4.460 -0.426 -1.070) 4.607 38.411 ( -5.758 3.723 3.812) 7.845 38.482 ( -3.572 -8.085 0.408) 8.848 38.681 ( -8.056 0.344 2.705) 8.505 38.733 ( 2.745 -2.773 3.083) 4.973 38.967 ( 11.251 -8.097 -5.129) 14.780 39.037 ( 13.184 2.034 -3.230) 13.725 39.177 ( 19.756 -0.352 0.857) 19.777 39.238 ( 10.039 4.826 -5.958) 12.632 39.389 ( 10.812 -0.974 -7.147) 12.997 ======================= Grid point 60 (31/84) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -20.980 2.950 -6.904) 22.283 1.607 ( -19.556 4.077 -5.255) 20.656 1.868 ( -13.199 -12.656 -3.816) 18.680 2.097 ( -9.410 -9.948 -5.238) 14.661 2.254 ( 0.684 -0.535 -3.207) 3.323 2.361 ( 1.326 0.050 -1.008) 1.666 2.446 ( -0.144 8.513 -4.473) 9.618 2.613 ( -0.563 2.716 -8.866) 9.289 2.722 ( 6.204 2.530 1.310) 6.826 2.781 ( 1.500 1.994 1.346) 2.836 2.813 ( -0.656 1.721 4.746) 5.091 2.878 ( -1.797 1.070 2.822) 3.512 2.915 ( 6.152 3.982 -0.429) 7.341 3.127 ( 4.997 -5.028 -2.422) 7.491 3.252 ( -9.569 10.584 0.719) 14.287 3.376 ( 2.943 3.998 0.327) 4.975 3.537 ( -5.063 3.082 2.590) 6.469 3.581 ( 5.158 -4.861 -0.217) 7.091 3.757 ( -5.877 0.973 2.039) 6.296 3.836 ( 8.052 6.090 0.433) 10.105 3.918 ( -4.470 -5.739 -2.775) 7.785 4.020 ( 0.132 0.156 -1.451) 1.465 4.059 ( -4.835 0.291 7.066) 8.566 4.327 ( -5.563 -9.038 3.340) 11.126 4.362 ( -0.813 -0.720 3.361) 3.532 4.482 ( -0.316 -4.595 -2.405) 5.196 4.537 ( 3.802 2.751 -1.074) 4.814 4.612 ( 2.651 0.582 -0.054) 2.715 4.765 ( -4.980 1.460 -0.390) 5.204 4.853 ( -6.749 -0.083 2.638) 7.247 4.907 ( -8.185 0.735 5.062) 9.652 4.952 ( -7.758 0.244 2.922) 8.294 5.097 ( -6.968 1.422 -2.489) 7.535 5.147 ( -7.240 -3.267 1.157) 8.027 5.264 ( -6.088 0.521 -1.368) 6.262 5.332 ( -2.126 0.824 -1.078) 2.522 5.453 ( -5.815 4.167 3.995) 8.194 5.557 ( -0.969 0.108 1.440) 1.739 5.600 ( 3.199 0.173 -3.689) 4.886 5.634 ( -2.722 2.233 4.458) 5.680 5.667 ( -4.556 -3.067 -8.858) 10.423 5.841 ( -0.077 5.089 3.058) 5.938 5.864 ( -4.482 -3.251 -1.112) 5.647 5.953 ( -1.564 1.739 -0.904) 2.508 6.021 ( -0.932 -0.112 7.750) 7.806 6.195 ( -0.722 -2.496 0.227) 2.608 6.298 ( -3.261 -0.350 8.727) 9.323 6.324 ( 1.175 0.866 4.564) 4.792 6.447 ( -4.606 1.444 -0.596) 4.864 6.529 ( -4.998 0.572 -2.689) 5.704 6.602 ( -7.722 0.584 2.169) 8.042 6.704 ( -0.091 4.913 3.298) 5.918 6.741 ( -8.618 5.936 -4.988) 11.593 6.864 ( -12.098 -7.295 1.056) 14.166 7.000 ( -5.067 -5.586 -3.013) 8.122 7.021 ( 3.591 -6.670 0.896) 7.628 7.070 ( -7.574 -1.302 -1.979) 7.936 7.126 ( -1.972 1.694 0.372) 2.626 7.191 ( -6.805 -2.733 0.929) 7.392 7.288 ( -2.924 4.699 0.282) 5.542 7.343 ( -4.141 -2.537 -0.887) 4.936 7.430 ( -9.141 -2.048 2.323) 9.652 7.482 ( -6.002 -1.338 -3.309) 6.984 7.522 ( -5.538 -7.357 1.333) 9.304 7.565 ( -1.437 -0.404 1.722) 2.279 7.592 ( -1.041 -0.149 -0.609) 1.215 7.657 ( -2.089 -3.817 -9.522) 10.468 7.759 ( -7.749 -7.622 -1.692) 11.000 7.851 ( -5.358 2.137 3.988) 7.013 7.902 ( -5.886 1.047 -0.244) 5.983 7.962 ( -8.774 2.291 3.239) 9.629 8.059 ( -1.664 -0.783 0.862) 2.031 8.113 ( -3.253 4.142 2.629) 5.886 8.225 ( -0.232 4.182 2.681) 4.973 8.247 ( -2.937 3.479 -3.571) 5.786 8.326 ( 0.946 -1.511 9.711) 9.873 8.346 ( -0.494 -5.441 -0.727) 5.512 8.383 ( -3.667 -1.484 -1.945) 4.408 8.470 ( -0.504 0.350 -2.071) 2.160 8.500 ( 1.750 1.213 0.458) 2.178 8.572 ( 2.251 3.604 3.897) 5.766 8.646 ( 4.323 4.204 1.776) 6.286 8.692 ( 0.084 -1.326 -2.464) 2.799 8.744 ( 2.178 -0.073 -0.390) 2.214 8.818 ( 10.612 1.085 0.123) 10.668 8.881 ( -0.614 2.606 0.757) 2.783 8.926 ( 8.075 -0.099 0.465) 8.089 8.986 ( -0.514 -3.732 -2.227) 4.376 9.061 ( 0.307 3.231 4.210) 5.316 9.123 ( 4.358 -0.318 4.131) 6.013 9.197 ( 4.123 2.771 0.341) 4.980 9.254 ( 3.135 3.592 -1.250) 4.929 9.324 ( 0.858 -1.034 -1.287) 1.860 9.347 ( 2.569 1.232 3.210) 4.292 9.442 ( 4.280 1.245 -2.532) 5.126 9.491 ( 3.411 -2.687 1.435) 4.573 9.563 ( 0.612 -0.712 1.488) 1.760 9.618 ( 3.362 -2.565 0.328) 4.242 9.739 ( 6.292 3.224 -0.903) 7.127 9.795 ( 6.556 1.379 -0.239) 6.704 9.872 ( 5.353 6.954 -1.922) 8.984 9.904 ( 2.529 -0.206 -1.042) 2.743 10.015 ( 7.375 -4.425 -2.206) 8.879 10.129 ( 9.836 -4.368 -1.485) 10.864 10.266 ( 8.651 4.165 -0.848) 9.639 10.384 ( 10.437 -4.025 3.222) 11.641 10.498 ( -2.596 -0.019 -4.988) 5.623 10.539 ( 7.353 1.878 1.470) 7.730 10.687 ( 5.633 -2.855 -5.649) 8.473 10.754 ( 9.136 -4.852 -0.681) 10.367 10.965 ( 4.606 9.787 -7.198) 12.993 11.292 ( 2.328 -5.758 -5.493) 8.292 11.409 ( 9.165 5.254 3.479) 11.122 11.582 ( 1.938 -2.139 -1.349) 3.186 11.713 ( -2.341 0.336 -7.296) 7.670 11.755 ( 8.787 -1.810 5.619) 10.586 12.587 ( -2.928 2.012 3.470) 4.966 12.682 ( -0.274 -1.500 7.542) 7.694 12.850 ( -4.876 2.920 -2.900) 6.381 13.125 ( -0.205 -12.197 -6.953) 14.041 13.813 ( 2.498 6.748 1.584) 7.368 13.941 ( 4.643 -1.253 1.984) 5.202 14.034 ( 2.830 3.663 -0.649) 4.674 14.281 ( 3.337 -6.290 3.770) 8.057 14.401 ( 0.036 2.390 -1.408) 2.775 14.488 ( -0.792 -0.180 -1.040) 1.319 14.695 ( 3.228 2.895 -4.138) 5.994 14.809 ( 3.243 -2.030 -5.143) 6.410 16.193 ( -2.310 1.155 4.208) 4.938 16.236 ( -1.785 -0.771 4.829) 5.206 16.634 ( -0.955 1.806 -3.523) 4.073 16.674 ( 0.247 -0.091 -4.416) 4.424 17.012 ( 0.062 1.080 -1.921) 2.204 17.060 ( -0.306 -0.994 -0.478) 1.144 17.207 ( 0.152 1.550 2.100) 2.615 17.284 ( 0.810 -1.185 -0.483) 1.514 17.297 ( -2.369 1.418 4.085) 4.930 17.355 ( -1.243 0.313 4.480) 4.660 17.427 ( -0.311 0.736 -6.946) 6.992 17.456 ( -1.446 -1.551 -1.565) 2.636 17.575 ( 2.329 -1.075 -1.705) 3.080 17.595 ( 2.257 -1.884 -2.834) 4.084 17.759 ( 0.867 0.275 -0.650) 1.118 17.790 ( -0.695 1.802 6.041) 6.342 17.842 ( 1.335 -1.074 0.001) 1.713 17.872 ( 1.756 -0.636 6.568) 6.828 17.927 ( -0.207 5.291 0.845) 5.362 17.974 ( -1.722 1.547 1.425) 2.718 18.060 ( 2.361 -2.070 -2.409) 3.958 18.146 ( -0.630 -1.094 -5.342) 5.489 18.257 ( 1.680 -0.750 -4.581) 4.937 18.291 ( 1.278 -1.250 -4.937) 5.251 18.419 ( -1.786 2.421 4.743) 5.617 18.532 ( -3.148 -2.744 7.115) 8.250 18.690 ( -0.313 1.009 -1.088) 1.517 18.723 ( -0.185 -0.547 0.974) 1.133 20.843 ( -19.061 0.621 -1.129) 19.105 20.844 ( -18.941 0.911 -0.202) 18.964 20.877 ( -19.049 -0.578 -2.085) 19.171 20.939 ( -19.547 -4.602 0.566) 20.090 21.231 ( -18.214 12.416 2.703) 22.208 21.719 ( 1.065 -9.276 3.401) 9.937 21.838 ( 9.653 0.580 -3.013) 10.129 21.853 ( 9.898 0.138 -3.105) 10.374 21.887 ( 8.615 0.071 -0.177) 8.617 21.936 ( 6.959 1.292 2.624) 7.548 22.016 ( 2.223 -5.492 3.938) 7.114 22.050 ( 5.116 -2.139 4.998) 7.465 26.927 ( -0.658 0.375 0.745) 1.062 26.945 ( -0.505 -0.468 0.357) 0.776 27.034 ( -0.024 0.130 -0.646) 0.660 27.044 ( -0.088 -0.341 -0.351) 0.497 27.437 ( -0.703 0.776 1.331) 1.693 27.481 ( 0.302 -1.221 1.288) 1.800 27.515 ( 0.869 0.406 0.958) 1.356 27.532 ( 0.386 -0.250 0.780) 0.906 27.722 ( -0.477 0.132 -1.547) 1.624 27.733 ( 0.293 -0.314 -1.000) 1.089 27.802 ( 2.343 -0.128 -0.775) 2.471 27.807 ( 2.128 -0.152 -0.953) 2.337 36.790 ( -5.599 1.401 -0.064) 5.772 36.857 ( 0.055 -2.101 -1.082) 2.363 36.937 ( 1.871 0.985 -2.483) 3.261 36.976 ( -2.392 -1.171 -5.429) 6.046 37.090 ( -1.959 1.450 -1.541) 2.884 37.105 ( -5.134 2.320 -4.149) 6.997 37.187 ( -5.998 -0.559 -3.623) 7.030 37.225 ( -4.822 -1.262 -4.388) 6.641 37.548 ( -6.120 1.825 3.043) 7.074 37.645 ( -9.694 -2.521 6.727) 12.066 37.826 ( -7.261 8.309 3.130) 11.470 38.033 ( -2.901 7.617 1.127) 8.229 38.112 ( -6.274 4.193 -0.735) 7.582 38.232 ( -6.454 2.989 -0.968) 7.178 38.322 ( -4.923 1.877 -2.522) 5.841 38.392 ( -0.689 2.723 3.085) 4.172 38.519 ( -4.012 7.935 1.284) 8.984 38.537 ( 11.300 -5.326 7.553) 14.598 38.860 ( 6.994 -14.336 1.824) 16.055 39.238 ( 20.701 -8.761 -8.561) 24.054 39.353 ( 17.992 6.814 1.858) 19.329 39.491 ( 21.771 2.736 -6.738) 22.954 39.684 ( 25.976 -2.889 -0.560) 26.142 39.732 ( 26.574 -1.862 -1.471) 26.680 ======================= Grid point 61 (32/84) ======================= q-point: (-0.22 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.119 ( -21.830 15.047 1.834) 26.576 1.131 ( -24.302 2.249 -0.467) 24.410 1.688 ( -5.361 -21.408 2.817) 22.249 1.833 ( -12.303 -18.272 -2.162) 22.134 2.153 ( -17.713 16.103 -1.676) 23.997 2.318 ( -7.335 6.546 -2.908) 10.252 2.475 ( 0.459 9.547 1.841) 9.734 2.526 ( 9.410 9.147 -3.559) 13.597 2.675 ( -5.963 1.466 -1.107) 6.240 2.718 ( -6.358 4.233 0.288) 7.644 2.889 ( 5.492 0.613 -2.817) 6.203 2.947 ( 5.745 4.417 -0.075) 7.247 3.102 ( 7.691 7.220 -2.727) 10.896 3.158 ( 4.642 0.487 1.590) 4.931 3.219 ( 5.862 -4.200 -2.659) 7.686 3.451 ( 4.123 -4.172 -1.544) 6.065 3.469 ( -4.859 4.506 6.742) 9.453 3.620 ( -7.379 -9.935 1.745) 12.499 3.677 ( 4.003 -4.322 -3.500) 6.852 3.804 ( -2.828 -12.674 -1.004) 13.024 3.965 ( -0.780 5.790 0.933) 5.916 4.007 ( 5.305 1.842 0.484) 5.636 4.048 ( -2.439 -1.769 3.320) 4.484 4.209 ( -9.054 -6.147 0.456) 10.953 4.368 ( -2.194 1.027 4.995) 5.552 4.438 ( -0.630 -2.789 -1.241) 3.117 4.493 ( -10.648 -0.093 2.449) 10.926 4.596 ( -9.501 -1.271 -3.811) 10.316 4.662 ( -1.970 -0.284 -2.819) 3.451 4.679 ( -13.548 -1.866 1.549) 13.764 4.766 ( -5.647 4.543 -1.516) 7.405 4.852 ( -0.283 4.295 0.989) 4.417 4.988 ( -4.223 -1.270 0.089) 4.411 5.023 ( -6.205 -3.790 3.757) 8.184 5.132 ( -6.262 2.145 -0.068) 6.619 5.274 ( -3.779 -0.398 0.871) 3.898 5.400 ( -6.322 1.468 2.395) 6.918 5.441 ( -4.444 -3.584 -4.804) 7.462 5.536 ( -2.832 -0.233 -2.719) 3.933 5.584 ( -2.912 -3.147 2.819) 5.131 5.673 ( 2.082 4.519 -3.849) 6.290 5.778 ( -3.531 -2.458 -1.171) 4.459 5.802 ( -3.100 8.090 6.301) 10.713 5.945 ( -5.309 4.098 2.273) 7.081 6.042 ( -2.994 2.916 -0.130) 4.182 6.102 ( -6.242 -3.095 8.405) 10.917 6.291 ( -5.947 1.470 0.980) 6.204 6.331 ( -5.354 -3.497 2.311) 6.800 6.385 ( -3.023 0.638 4.464) 5.429 6.426 ( -6.277 -2.096 -1.663) 6.823 6.472 ( -3.390 -1.906 2.425) 4.583 6.533 ( -5.534 6.122 -0.754) 8.286 6.600 ( -13.621 -2.380 0.292) 13.830 6.782 ( 1.193 8.712 -4.962) 10.096 6.839 ( -4.470 2.864 -1.927) 5.647 6.885 ( -4.829 0.544 0.661) 4.905 7.028 ( -5.985 -2.640 -2.266) 6.923 7.087 ( -0.625 -6.846 -0.233) 6.878 7.141 ( -2.351 -7.821 0.658) 8.193 7.208 ( -7.007 -3.403 -6.008) 9.838 7.299 ( -1.810 -4.300 3.716) 5.965 7.307 ( 0.307 -5.222 -1.814) 5.537 7.356 ( -0.885 3.953 -0.456) 4.076 7.459 ( -1.194 -2.073 3.541) 4.273 7.538 ( -2.680 -2.420 -1.553) 3.931 7.581 ( -3.027 -3.174 -1.277) 4.568 7.618 ( -5.881 -4.115 5.810) 9.235 7.669 ( 1.797 -6.469 6.456) 9.314 7.758 ( -5.299 4.631 -0.503) 7.055 7.772 ( -6.304 3.178 -0.156) 7.062 7.850 ( -2.471 0.237 0.870) 2.630 8.021 ( -3.152 3.083 1.415) 4.631 8.077 ( -4.829 0.183 1.879) 5.185 8.144 ( -6.974 4.929 0.137) 8.541 8.218 ( -1.151 -3.549 1.928) 4.200 8.301 ( -2.808 -1.309 2.309) 3.864 8.319 ( 1.138 0.531 -2.557) 2.849 8.402 ( 1.762 -1.074 2.073) 2.925 8.448 ( -3.400 -1.949 -0.098) 3.920 8.530 ( 1.391 -4.592 -1.405) 5.000 8.613 ( -0.146 1.262 -2.813) 3.086 8.670 ( 0.572 1.183 -3.882) 4.098 8.706 ( 0.956 8.281 2.762) 8.782 8.755 ( 2.023 5.798 0.819) 6.195 8.898 ( -2.578 -2.955 -3.233) 5.083 8.933 ( 4.453 -2.654 0.756) 5.239 8.976 ( 2.404 -0.382 2.519) 3.503 9.061 ( 4.129 -0.112 -1.278) 4.324 9.106 ( 1.526 3.830 2.437) 4.789 9.263 ( 7.343 3.191 0.050) 8.006 9.303 ( 3.832 0.429 1.158) 4.026 9.329 ( 1.723 0.170 -0.214) 1.745 9.342 ( 5.611 2.714 -0.775) 6.281 9.417 ( 2.707 -1.004 0.243) 2.898 9.496 ( 1.845 0.920 -3.177) 3.787 9.585 ( 3.309 2.447 -0.764) 4.186 9.605 ( 5.511 -5.337 4.233) 8.762 9.707 ( 5.710 -0.279 -2.239) 6.140 9.825 ( 1.656 0.888 0.235) 1.894 9.863 ( 0.014 -0.165 0.790) 0.807 9.890 ( 3.162 3.102 -4.018) 5.980 10.012 ( 6.806 6.334 -2.917) 9.744 10.191 ( 11.995 -2.283 0.963) 12.248 10.275 ( -2.838 0.697 -1.804) 3.435 10.358 ( -0.644 0.983 -8.074) 8.159 10.454 ( 15.921 -3.481 2.529) 16.492 10.597 ( 5.402 -2.805 5.058) 7.914 10.701 ( 7.000 -6.651 10.716) 14.424 10.873 ( 13.870 2.796 -3.794) 14.649 10.942 ( 9.837 2.256 -1.340) 10.181 11.052 ( 9.826 2.631 -7.255) 12.494 11.300 ( 3.859 -5.551 -7.264) 9.923 11.517 ( -1.354 3.235 -5.407) 6.445 11.616 ( 6.404 4.084 3.044) 8.183 11.682 ( 3.534 4.135 0.378) 5.453 12.047 ( 10.814 -8.031 8.198) 15.768 12.521 ( -6.281 0.128 -1.333) 6.422 12.675 ( -7.562 5.639 -1.262) 9.517 12.705 ( -3.776 -5.937 2.990) 7.645 12.975 ( -8.599 -14.146 -8.049) 18.408 13.913 ( 9.624 12.748 -5.062) 16.755 14.108 ( 9.704 -2.439 0.517) 10.019 14.133 ( 6.865 7.045 1.885) 10.015 14.382 ( 3.899 -2.512 1.202) 4.792 14.412 ( 2.433 1.747 2.514) 3.910 14.475 ( -0.392 -1.579 1.123) 1.977 14.727 ( 3.202 3.183 -3.983) 6.021 14.827 ( 3.344 -1.647 -4.996) 6.233 16.190 ( -2.643 0.898 7.132) 7.659 16.231 ( -3.092 -0.944 5.751) 6.597 16.586 ( -0.443 2.579 -4.431) 5.146 16.631 ( 0.431 0.771 -6.889) 6.945 16.991 ( -0.236 1.749 -2.707) 3.232 17.048 ( -0.487 -0.801 -0.150) 0.950 17.232 ( 1.364 -0.116 -1.546) 2.065 17.269 ( -1.139 -0.717 -1.391) 1.936 17.300 ( 0.292 -0.341 -0.724) 0.852 17.353 ( -2.279 -1.436 0.142) 2.697 17.368 ( -0.410 1.249 1.521) 2.011 17.430 ( -0.158 -0.450 -0.339) 0.585 17.612 ( 2.128 -0.609 -0.142) 2.218 17.625 ( 2.005 -0.758 -1.387) 2.553 17.747 ( -0.037 2.398 -1.736) 2.960 17.801 ( -1.232 0.642 2.178) 2.583 17.893 ( 2.177 1.239 0.697) 2.600 17.954 ( 1.038 1.368 2.851) 3.329 17.956 ( 0.412 2.492 5.913) 6.430 17.965 ( 0.043 1.059 2.490) 2.706 18.064 ( 0.068 -1.503 -0.508) 1.589 18.130 ( 2.214 -2.118 -2.838) 4.176 18.234 ( 0.677 1.190 -5.634) 5.798 18.287 ( 2.020 -0.841 -3.956) 4.521 18.429 ( -1.275 1.268 4.892) 5.212 18.547 ( -1.562 -3.881 7.905) 8.944 18.675 ( -0.196 1.365 -0.995) 1.701 18.736 ( 0.281 -1.211 1.783) 2.174 20.489 ( -16.348 0.347 -0.361) 16.355 20.499 ( -16.136 0.744 0.047) 16.153 20.509 ( -17.079 -0.444 -0.914) 17.109 20.568 ( -18.315 -3.525 0.148) 18.652 20.829 ( -23.953 12.851 0.448) 27.186 21.613 ( -14.507 -27.454 -2.190) 31.128 21.979 ( 6.619 0.319 -1.403) 6.774 21.995 ( 6.777 -0.346 -1.793) 7.019 22.028 ( 5.946 -0.185 -0.478) 5.968 22.050 ( 4.724 -1.130 -0.224) 4.863 22.107 ( 3.551 0.005 1.789) 3.977 22.153 ( 2.244 -0.990 2.682) 3.634 26.920 ( -0.699 0.389 0.762) 1.105 26.938 ( -0.524 -0.421 0.518) 0.848 27.029 ( -0.128 0.047 -0.211) 0.251 27.036 ( -0.308 -0.363 -0.383) 0.611 27.440 ( -0.161 0.998 1.394) 1.722 27.499 ( 0.318 -1.847 1.295) 2.278 27.541 ( 1.015 0.200 0.717) 1.259 27.546 ( 0.554 0.060 0.557) 0.788 27.700 ( -0.224 0.870 -1.866) 2.071 27.735 ( 0.775 -0.756 -1.363) 1.740 27.841 ( 2.114 -0.274 -0.526) 2.196 27.847 ( 2.696 -0.250 -0.523) 2.758 36.678 ( -4.252 3.316 -2.631) 6.000 36.802 ( -2.842 -4.046 -4.677) 6.806 36.935 ( 0.572 0.679 0.139) 0.899 36.954 ( -1.409 -0.611 1.817) 2.379 36.996 ( -2.810 3.348 -0.093) 4.372 37.056 ( -3.242 0.789 0.940) 3.466 37.068 ( -3.070 0.544 3.465) 4.661 37.138 ( -2.839 -3.183 -0.559) 4.301 37.448 ( -7.366 0.982 3.776) 8.336 37.515 ( -7.238 -2.595 2.876) 8.209 37.735 ( -3.980 5.017 2.916) 7.037 37.899 ( -6.008 -3.699 1.825) 7.288 38.053 ( -7.660 4.041 -1.437) 8.779 38.169 ( -2.186 7.758 4.549) 9.255 38.201 ( -1.825 7.384 -0.365) 7.615 38.456 ( 10.279 25.315 -3.824) 27.588 38.534 ( 9.075 23.870 -2.834) 25.693 38.850 ( 11.494 -15.563 6.294) 20.345 39.007 ( 8.009 -16.417 -1.208) 18.306 39.566 ( 18.010 8.977 -4.205) 20.558 39.681 ( 14.215 13.036 1.888) 19.380 39.967 ( 30.847 -12.918 -5.447) 33.883 40.165 ( 24.245 -1.534 -0.758) 24.305 40.260 ( 25.479 -5.688 2.664) 26.242 ======================= Grid point 62 (33/84) ======================= q-point: (-0.11 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.667 ( -17.692 14.388 4.532) 23.250 0.880 ( -16.562 18.134 18.488) 30.740 1.566 ( -18.006 3.072 8.072) 19.970 1.634 ( -3.743 -16.260 -0.217) 16.686 1.720 ( -14.729 4.227 9.190) 17.868 2.304 ( 4.822 9.851 -4.184) 11.739 2.379 ( -8.657 12.285 -4.972) 15.830 2.507 ( -5.493 -0.482 -3.275) 6.413 2.624 ( 0.347 5.866 -5.091) 7.775 2.812 ( 11.072 3.356 0.402) 11.576 2.962 ( 4.035 2.799 1.695) 5.195 3.028 ( 3.550 5.477 -1.889) 6.795 3.077 ( -0.384 1.082 -4.492) 4.636 3.279 ( 3.159 -6.704 -2.898) 7.957 3.359 ( 5.980 -1.619 -3.625) 7.178 3.427 ( -0.654 2.681 1.716) 3.249 3.546 ( -0.919 -10.423 7.357) 12.791 3.583 ( 6.832 -3.978 -1.287) 8.010 3.671 ( -0.756 -5.642 -2.311) 6.144 3.803 ( 1.467 -7.739 2.392) 8.233 3.953 ( -1.839 4.174 1.780) 4.897 3.996 ( -8.761 -3.405 3.271) 9.952 4.033 ( -3.730 0.698 -0.161) 3.798 4.068 ( -5.945 -5.842 0.807) 8.374 4.258 ( -11.437 0.552 1.888) 11.605 4.291 ( -11.135 3.199 2.540) 11.861 4.367 ( -6.110 -3.141 1.940) 7.139 4.446 ( -2.787 -0.834 -2.502) 3.837 4.490 ( -1.089 -2.426 1.078) 2.869 4.525 ( -2.277 -7.040 -4.167) 8.492 4.733 ( -0.934 3.328 -1.626) 3.820 4.832 ( -2.755 1.249 0.011) 3.025 4.936 ( -0.795 2.188 -0.591) 2.402 4.988 ( -2.856 -4.868 6.998) 8.990 5.029 ( -5.131 0.314 0.863) 5.213 5.160 ( -6.508 2.875 -1.788) 7.335 5.275 ( -4.787 -4.661 -4.677) 8.156 5.352 ( -5.618 -1.960 2.951) 6.642 5.492 ( -0.232 -0.341 -1.148) 1.220 5.529 ( -1.450 0.691 -3.259) 3.633 5.673 ( -1.800 0.565 4.564) 4.939 5.714 ( -0.489 -1.150 -2.600) 2.884 5.819 ( -4.729 4.437 6.225) 8.989 5.849 ( -4.237 5.271 6.372) 9.291 5.934 ( -9.654 -1.584 -5.460) 11.204 6.045 ( -1.071 -1.378 0.340) 1.778 6.127 ( -11.138 -0.806 5.306) 12.364 6.226 ( -1.549 0.347 -3.700) 4.026 6.239 ( -8.982 -5.185 1.460) 10.473 6.308 ( -2.870 2.738 -5.818) 7.041 6.390 ( -6.584 3.158 0.350) 7.311 6.443 ( -3.285 4.195 1.312) 5.487 6.568 ( 1.206 4.209 1.522) 4.636 6.645 ( -3.571 5.251 -0.626) 6.381 6.852 ( 1.180 7.512 -4.435) 8.803 6.902 ( 2.842 -3.880 -0.767) 4.871 6.939 ( -1.170 -3.306 -3.294) 4.811 7.000 ( -5.104 -0.055 -2.446) 5.660 7.032 ( -3.153 -12.382 3.328) 13.204 7.190 ( -1.897 -2.088 -5.041) 5.776 7.223 ( 2.717 -4.163 2.497) 5.563 7.340 ( 2.423 -3.472 -1.847) 4.619 7.384 ( -2.177 1.373 -0.059) 2.575 7.419 ( -6.073 -4.919 0.520) 7.832 7.489 ( -3.551 0.724 -1.084) 3.782 7.525 ( -0.332 -6.691 5.525) 8.684 7.585 ( -2.451 -2.730 2.615) 4.505 7.662 ( -0.462 4.747 -2.585) 5.425 7.694 ( -1.307 3.455 -0.969) 3.818 7.796 ( 1.457 -6.416 9.946) 11.926 7.847 ( 0.664 -1.467 -0.059) 1.611 7.940 ( -4.369 -2.894 -0.541) 5.269 7.980 ( -5.262 0.137 1.495) 5.472 8.076 ( -2.606 4.610 2.454) 5.837 8.142 ( -7.990 -1.698 -4.024) 9.106 8.245 ( -0.496 1.791 3.298) 3.785 8.312 ( -5.310 -3.573 0.779) 6.447 8.414 ( -0.620 -2.678 -1.627) 3.194 8.449 ( 1.642 2.895 -2.265) 4.025 8.496 ( 1.681 -0.203 -1.403) 2.199 8.589 ( 0.280 -2.096 -1.017) 2.347 8.684 ( 2.088 -0.234 -4.240) 4.732 8.755 ( 2.223 3.972 3.912) 6.002 8.791 ( 0.407 4.752 -0.764) 4.830 8.858 ( -0.120 -0.800 2.159) 2.306 8.986 ( -0.867 0.849 -1.769) 2.145 9.010 ( 1.031 -3.648 0.667) 3.849 9.074 ( 0.801 -2.591 -1.424) 3.063 9.172 ( 3.111 2.640 0.191) 4.085 9.313 ( -0.287 3.150 -12.398) 12.795 9.337 ( 0.033 -1.473 -1.397) 2.031 9.387 ( 2.704 2.062 2.326) 4.120 9.404 ( 4.476 1.484 0.705) 4.768 9.472 ( 2.193 1.131 -4.858) 5.448 9.508 ( 3.594 -3.483 1.980) 5.382 9.641 ( 0.547 -1.356 1.007) 1.776 9.712 ( 2.336 4.017 -3.662) 5.916 9.805 ( 3.737 -1.959 1.961) 4.653 9.837 ( 3.725 1.767 -0.015) 4.122 9.868 ( 0.070 1.662 -1.806) 2.455 9.934 ( 2.769 6.015 -0.042) 6.621 10.060 ( 1.325 0.257 -1.770) 2.226 10.185 ( -1.955 1.702 -3.889) 4.674 10.306 ( 0.231 -1.712 0.884) 1.940 10.428 ( 7.035 7.061 3.993) 10.738 10.726 ( 2.240 -0.819 5.624) 6.109 10.806 ( 13.065 -7.058 4.310) 15.463 10.971 ( 7.351 -6.608 11.567) 15.215 11.078 ( 6.966 -1.000 -1.544) 7.205 11.116 ( 9.916 -1.701 10.513) 14.552 11.154 ( 7.127 0.101 -6.663) 9.757 11.341 ( 5.932 -4.963 -4.153) 8.779 11.452 ( -0.538 9.212 -3.837) 9.994 11.767 ( 10.718 -4.354 1.258) 11.636 11.848 ( 9.180 11.239 6.848) 16.046 12.183 ( -5.107 -8.054 0.565) 9.554 12.362 ( -3.094 0.464 0.769) 3.222 12.508 ( -15.345 -11.547 -5.128) 19.877 12.582 ( -4.067 2.665 -0.091) 4.864 12.773 ( -6.976 -4.416 2.129) 8.526 14.060 ( 10.676 12.633 -12.137) 20.515 14.250 ( 4.461 -3.788 -0.389) 5.865 14.323 ( 10.282 13.536 -1.652) 17.078 14.431 ( 4.225 1.996 -1.443) 4.891 14.482 ( 0.699 -1.089 2.497) 2.813 14.577 ( 8.889 3.092 0.771) 9.443 14.746 ( 1.548 3.751 -3.183) 5.157 14.872 ( 5.212 -1.385 -3.838) 6.619 16.179 ( -3.510 0.083 2.775) 4.475 16.249 ( -2.001 -5.159 10.692) 12.039 16.551 ( 0.974 2.744 -4.486) 5.348 16.609 ( 5.406 2.632 -10.824) 12.381 16.969 ( 0.398 2.412 -2.362) 3.400 17.044 ( 0.163 -1.064 0.365) 1.137 17.192 ( 0.147 -1.016 -10.565) 10.615 17.242 ( -2.256 -1.443 1.252) 2.957 17.274 ( 2.857 0.606 -5.578) 6.297 17.355 ( -1.210 -2.835 3.190) 4.436 17.401 ( 1.119 2.031 5.054) 5.560 17.451 ( 0.891 0.549 3.135) 3.305 17.627 ( 0.892 2.502 -2.988) 3.998 17.658 ( 2.125 -0.280 0.589) 2.223 17.758 ( 1.281 0.647 1.023) 1.762 17.788 ( -0.655 -0.639 -0.425) 1.009 17.913 ( 0.407 4.211 -1.072) 4.364 17.937 ( -0.709 2.831 -1.180) 3.148 18.003 ( -0.060 0.884 1.365) 1.628 18.045 ( 1.770 -0.208 5.302) 5.594 18.076 ( 0.995 1.671 2.268) 2.987 18.172 ( 2.731 -3.188 2.306) 4.789 18.219 ( 1.073 1.903 -1.593) 2.704 18.298 ( 1.766 -1.856 -2.177) 3.362 18.453 ( -0.197 2.006 5.091) 5.475 18.602 ( -0.182 -4.493 8.836) 9.914 18.668 ( 0.078 2.013 -0.412) 2.056 18.763 ( 0.392 -2.098 2.932) 3.627 20.228 ( -10.400 0.037 -0.581) 10.416 20.232 ( -9.728 -0.115 -0.108) 9.730 20.247 ( -9.545 0.294 0.316) 9.555 20.271 ( -11.545 -1.181 0.083) 11.606 20.372 ( -20.644 5.692 -0.605) 21.423 20.955 ( -46.556 -34.783 -21.186) 61.856 22.069 ( 3.503 0.245 -0.356) 3.530 22.085 ( 3.625 -0.429 -0.821) 3.741 22.109 ( 3.150 0.192 -0.903) 3.283 22.120 ( 2.618 -0.326 -0.165) 2.643 22.164 ( 1.137 0.633 1.159) 1.742 22.189 ( 0.049 -0.346 1.295) 1.342 26.912 ( -0.590 0.500 0.539) 0.943 26.937 ( -0.326 -0.575 1.155) 1.331 27.025 ( -0.199 0.044 -0.041) 0.208 27.029 ( -0.152 -0.139 -0.106) 0.232 27.451 ( -0.049 0.986 1.442) 1.748 27.511 ( -0.094 -1.942 1.118) 2.243 27.562 ( 0.684 0.490 0.700) 1.094 27.567 ( 0.824 0.090 0.804) 1.155 27.685 ( 0.297 1.387 -1.913) 2.382 27.738 ( 0.804 -1.110 -1.714) 2.195 27.877 ( 1.784 0.302 0.038) 1.809 27.893 ( 2.082 -0.336 -0.150) 2.114 36.593 ( -1.554 3.444 -4.084) 5.564 36.719 ( -1.075 -3.666 -5.344) 6.569 36.910 ( -2.767 2.299 1.377) 3.852 36.942 ( -1.727 -0.039 2.074) 2.699 36.973 ( -1.093 0.295 3.395) 3.579 37.030 ( -1.137 1.498 5.578) 5.887 37.095 ( -1.709 -2.330 0.895) 3.025 37.144 ( 1.422 -5.750 12.163) 13.529 37.337 ( -5.720 0.831 1.358) 5.937 37.418 ( -4.190 -3.566 0.703) 5.547 37.729 ( -0.650 2.462 5.644) 6.192 37.861 ( -2.131 -3.850 5.932) 7.386 37.918 ( -4.280 4.916 -1.684) 6.732 38.083 ( -3.334 -3.634 -1.445) 5.139 38.216 ( -0.868 16.904 0.745) 16.942 38.505 ( 1.273 9.100 -4.884) 10.406 38.887 ( 10.334 -1.836 -12.452) 16.285 39.070 ( 5.467 -25.620 -0.914) 26.213 39.546 ( 58.073 45.318 17.615) 75.739 39.881 ( 20.726 20.122 7.041) 29.733 39.935 ( 8.828 13.488 5.767) 17.121 40.455 ( 21.001 -8.462 -5.011) 23.189 40.568 ( 17.707 -1.176 0.687) 17.760 40.744 ( 20.932 -4.694 2.448) 21.591 ======================= Grid point 63 (34/84) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.028 ( 0.531 -15.498 4.316) 16.097 1.028 ( 0.531 15.498 4.316) 16.097 1.259 ( 3.068 -20.038 8.506) 21.983 1.259 ( 3.068 20.038 8.506) 21.983 2.262 ( -3.076 -19.315 11.852) 22.869 2.262 ( -3.076 19.315 11.852) 22.869 2.396 ( 4.236 -4.668 -0.189) 6.306 2.396 ( 4.236 4.668 -0.189) 6.306 2.853 ( 0.277 -14.992 -4.659) 15.702 2.853 ( 0.277 14.992 -4.659) 15.702 2.977 ( 2.885 -2.663 -2.408) 4.606 2.977 ( 2.885 2.663 -2.408) 4.606 3.180 ( 1.389 -5.169 -2.712) 6.000 3.180 ( 1.389 5.169 -2.712) 6.000 3.459 ( -4.159 -8.829 -4.291) 10.661 3.459 ( -4.159 8.829 -4.291) 10.661 3.522 ( 3.914 -4.843 4.473) 7.667 3.522 ( 3.914 4.843 4.473) 7.667 3.703 ( -2.538 -3.940 -0.217) 4.692 3.703 ( -2.538 3.940 -0.217) 4.692 3.884 ( 1.293 -2.957 3.699) 4.909 3.884 ( 1.293 2.957 3.699) 4.909 3.945 ( -4.372 -1.288 4.787) 6.610 3.945 ( -4.372 1.288 4.787) 6.610 4.199 ( 1.036 -5.074 -1.865) 5.504 4.199 ( 1.036 5.074 -1.865) 5.504 4.316 ( -1.320 -5.813 1.851) 6.242 4.316 ( -1.320 5.813 1.851) 6.242 4.493 ( 0.156 -1.931 2.997) 3.569 4.493 ( 0.156 1.931 2.997) 3.569 4.754 ( -0.769 -3.876 -0.170) 3.955 4.754 ( -0.769 3.876 -0.170) 3.955 4.899 ( -2.143 -3.714 -5.121) 6.679 4.899 ( -2.143 3.714 -5.121) 6.679 5.054 ( 1.663 -5.113 4.967) 7.319 5.054 ( 1.663 5.113 4.967) 7.319 5.243 ( -0.600 -5.156 -2.331) 5.691 5.243 ( -0.600 5.156 -2.331) 5.691 5.543 ( 2.674 -2.007 -2.015) 3.904 5.543 ( 2.674 2.007 -2.015) 3.904 5.641 ( -0.894 -3.334 4.361) 5.561 5.641 ( -0.894 3.334 4.361) 5.561 5.820 ( -0.409 -1.554 -0.393) 1.654 5.820 ( -0.409 1.554 -0.393) 1.654 5.948 ( -1.798 -5.197 3.534) 6.537 5.948 ( -1.798 5.197 3.534) 6.537 6.056 ( -1.513 -2.949 1.178) 3.518 6.056 ( -1.513 2.949 1.178) 3.518 6.267 ( 2.111 -2.014 -6.100) 6.762 6.267 ( 2.111 2.014 -6.100) 6.762 6.337 ( -3.758 -7.901 -4.102) 9.663 6.337 ( -3.758 7.901 -4.102) 9.663 6.689 ( -0.638 -5.465 -0.335) 5.512 6.689 ( -0.638 5.465 -0.335) 5.512 6.747 ( -0.937 -6.879 -2.510) 7.383 6.747 ( -0.937 6.879 -2.510) 7.383 6.965 ( 1.936 -3.419 -0.088) 3.930 6.965 ( 1.936 3.419 -0.088) 3.930 7.106 ( 4.943 -5.367 4.519) 8.582 7.106 ( 4.943 5.367 4.519) 8.582 7.218 ( -3.356 -1.587 0.042) 3.713 7.218 ( -3.356 1.587 0.042) 3.713 7.345 ( -2.155 -2.178 -2.722) 4.098 7.345 ( -2.155 2.178 -2.722) 4.098 7.481 ( -0.823 -4.818 0.453) 4.909 7.481 ( -0.823 4.818 0.453) 4.909 7.620 ( 0.713 -6.992 3.162) 7.707 7.620 ( 0.713 6.992 3.162) 7.707 7.757 ( 2.258 -3.346 -1.793) 4.416 7.757 ( 2.258 3.346 -1.793) 4.416 7.848 ( -0.098 -3.239 -0.186) 3.246 7.848 ( -0.098 3.239 -0.186) 3.246 8.010 ( -0.584 -5.510 2.369) 6.026 8.010 ( -0.584 5.510 2.369) 6.026 8.147 ( -3.237 -6.690 1.531) 7.588 8.147 ( -3.237 6.690 1.531) 7.588 8.295 ( -1.447 -4.679 0.302) 4.907 8.295 ( -1.447 4.679 0.302) 4.907 8.530 ( 1.473 -5.639 -6.576) 8.787 8.530 ( 1.473 5.639 -6.576) 8.787 8.595 ( 1.539 -1.976 -3.098) 3.984 8.595 ( 1.539 1.976 -3.098) 3.984 8.822 ( -0.287 -3.579 4.071) 5.428 8.822 ( -0.287 3.579 4.071) 5.428 8.909 ( -0.801 -3.708 -0.386) 3.813 8.909 ( -0.801 3.708 -0.386) 3.813 9.025 ( -1.023 -3.366 -0.563) 3.563 9.025 ( -1.023 3.366 -0.563) 3.563 9.209 ( -0.427 -1.272 -7.844) 7.957 9.209 ( -0.427 1.272 -7.844) 7.957 9.334 ( 0.669 -2.924 -2.570) 3.950 9.334 ( 0.669 2.924 -2.570) 3.950 9.523 ( 2.136 -2.072 2.261) 3.737 9.523 ( 2.136 2.072 2.261) 3.737 9.594 ( 0.338 -2.717 0.855) 2.868 9.594 ( 0.338 2.717 0.855) 2.868 9.782 ( -0.061 -3.859 -3.995) 5.555 9.782 ( -0.061 3.859 -3.995) 5.555 9.899 ( -0.476 -3.173 0.684) 3.280 9.899 ( -0.476 3.173 0.684) 3.280 10.057 ( 0.702 -1.137 1.149) 1.762 10.057 ( 0.702 1.137 1.149) 1.762 10.243 ( 0.568 -7.644 1.831) 7.881 10.243 ( 0.568 7.644 1.831) 7.881 10.696 ( 0.210 -7.106 4.583) 8.458 10.696 ( 0.210 7.106 4.583) 8.458 10.876 ( -7.326 -3.793 1.736) 8.430 10.876 ( -7.326 3.793 1.736) 8.430 11.165 ( 4.528 -3.888 2.331) 6.407 11.165 ( 4.528 3.888 2.331) 6.407 11.364 ( 2.871 -2.962 1.195) 4.294 11.364 ( 2.871 2.962 1.195) 4.294 11.741 ( 1.886 -14.804 -0.729) 14.942 11.741 ( 1.886 14.804 -0.729) 14.942 12.037 ( -3.953 -3.515 3.677) 6.442 12.037 ( -3.953 3.515 3.677) 6.442 12.350 ( 6.656 -1.522 4.958) 8.438 12.350 ( 6.656 1.522 4.958) 8.438 12.604 ( -2.501 -3.993 -0.908) 4.798 12.604 ( -2.501 3.993 -0.908) 4.798 14.182 ( -0.468 -4.575 -3.549) 5.809 14.182 ( -0.468 4.575 -3.549) 5.809 14.445 ( 0.019 -2.870 0.735) 2.963 14.445 ( 0.019 2.870 0.735) 2.963 14.697 ( 2.932 -3.553 -8.957) 10.072 14.697 ( 2.932 3.553 -8.957) 10.072 14.832 ( -0.542 -6.246 -3.019) 6.959 14.832 ( -0.542 6.246 -3.019) 6.959 16.144 ( -3.750 -2.395 1.967) 4.865 16.144 ( -3.750 2.395 1.967) 4.865 16.594 ( 3.817 -1.487 -10.934) 11.676 16.594 ( 3.817 1.487 -10.934) 11.676 17.008 ( 0.251 -2.430 -2.503) 3.497 17.008 ( 0.251 2.430 -2.503) 3.497 17.167 ( 1.075 -5.143 -2.621) 5.871 17.167 ( 1.075 5.143 -2.621) 5.871 17.305 ( -1.241 -3.426 2.731) 4.554 17.305 ( -1.241 3.426 2.731) 4.554 17.482 ( 0.228 -2.439 1.949) 3.131 17.482 ( 0.228 2.439 1.949) 3.131 17.650 ( -0.690 -1.691 -0.987) 2.076 17.650 ( -0.690 1.691 -0.987) 2.076 17.781 ( 0.545 -0.341 -0.471) 0.797 17.781 ( 0.545 0.341 -0.471) 0.797 17.928 ( -1.667 -0.710 -2.917) 3.434 17.928 ( -1.667 0.710 -2.917) 3.434 18.081 ( 0.128 -8.605 0.535) 8.622 18.081 ( 0.128 8.605 0.535) 8.622 18.164 ( 1.785 -3.981 2.967) 5.276 18.164 ( 1.785 3.981 2.967) 5.276 18.274 ( 0.655 -2.793 0.351) 2.890 18.274 ( 0.655 2.793 0.351) 2.890 18.564 ( -3.067 -4.836 7.956) 9.802 18.564 ( -3.067 4.836 7.956) 9.802 18.730 ( -0.377 -3.604 2.177) 4.227 18.730 ( -0.377 3.604 2.177) 4.227 20.117 ( -0.524 -0.024 -0.522) 0.740 20.117 ( -0.524 0.024 -0.522) 0.740 20.142 ( 0.083 -0.047 -0.071) 0.119 20.142 ( 0.083 0.047 -0.071) 0.119 20.161 ( 0.007 -0.014 0.485) 0.486 20.161 ( 0.007 0.014 0.485) 0.486 22.114 ( 0.565 -0.401 0.078) 0.697 22.114 ( 0.565 0.401 0.078) 0.697 22.143 ( 0.543 -0.280 -0.738) 0.958 22.143 ( 0.543 0.280 -0.738) 0.958 22.180 ( -1.249 -0.290 1.017) 1.636 22.180 ( -1.249 0.290 1.017) 1.636 26.926 ( -0.172 -1.065 1.022) 1.487 26.926 ( -0.172 1.065 1.022) 1.487 27.025 ( -0.092 -0.158 0.054) 0.191 27.025 ( -0.092 0.158 0.054) 0.191 27.485 ( -0.406 -1.690 1.482) 2.284 27.485 ( -0.406 1.690 1.482) 2.284 27.579 ( -0.354 -0.117 0.711) 0.802 27.579 ( -0.354 0.117 0.711) 0.802 27.711 ( 0.795 -1.702 -1.733) 2.556 27.711 ( 0.795 1.702 -1.733) 2.556 27.910 ( 0.238 -0.471 0.250) 0.584 27.910 ( 0.238 0.471 0.250) 0.584 36.616 ( 0.992 -3.563 -3.567) 5.138 36.616 ( 0.992 3.563 -3.567) 5.138 36.920 ( -0.756 -1.419 2.788) 3.218 36.920 ( -0.756 1.419 2.788) 3.218 37.017 ( 0.336 -2.423 2.249) 3.323 37.017 ( 0.336 2.423 2.249) 3.323 37.180 ( 1.824 -3.847 8.808) 9.783 37.180 ( 1.824 3.847 8.808) 9.783 37.301 ( -1.641 -3.395 0.980) 3.896 37.301 ( -1.641 3.395 0.980) 3.896 37.825 ( -0.124 -3.019 6.448) 7.120 37.825 ( -0.124 3.019 6.448) 7.120 37.966 ( -0.461 -3.862 1.361) 4.121 37.966 ( -0.461 3.862 1.361) 4.121 38.547 ( -2.392 -18.401 -8.327) 20.338 38.547 ( -2.392 18.401 -8.327) 20.338 38.694 ( 0.541 -16.546 -6.643) 17.838 38.694 ( 0.541 16.546 -6.643) 17.838 40.165 ( 0.382 -4.782 3.437) 5.901 40.165 ( 0.382 4.782 3.437) 5.901 40.512 ( 2.206 -4.788 -4.742) 7.091 40.512 ( 2.206 4.788 -4.742) 7.091 40.995 ( 0.562 -3.627 -3.323) 4.951 40.995 ( 0.562 3.627 -3.323) 4.951 ======================= Grid point 65 (35/84) ======================= q-point: ( 0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 10.717 -11.800 19.709) 25.348 1.234 ( 10.717 11.800 19.709) 25.348 1.534 ( 13.881 -19.615 12.042) 26.879 1.534 ( 13.881 19.615 12.042) 26.879 2.249 ( 1.094 -3.690 -4.501) 5.922 2.249 ( 1.094 3.690 -4.501) 5.922 2.542 ( 4.545 -2.535 -2.103) 5.613 2.542 ( 4.545 2.535 -2.103) 5.613 2.799 ( 0.736 -13.963 -14.933) 20.457 2.799 ( 0.736 13.963 -14.933) 20.457 2.986 ( -0.901 -16.194 6.772) 17.576 2.986 ( -0.901 16.194 6.772) 17.576 3.154 ( -3.274 -9.660 8.165) 13.065 3.154 ( -3.274 9.660 8.165) 13.065 3.372 ( -3.894 -6.601 0.487) 7.680 3.372 ( -3.894 6.601 0.487) 7.680 3.611 ( 8.671 -7.676 -3.377) 12.062 3.611 ( 8.671 7.676 -3.377) 12.062 3.678 ( -2.102 -4.558 3.738) 6.259 3.678 ( -2.102 4.558 3.738) 6.259 3.864 ( -5.606 -4.772 4.241) 8.496 3.864 ( -5.606 4.772 4.241) 8.496 4.071 ( 2.891 -2.051 2.858) 4.553 4.071 ( 2.891 2.051 2.858) 4.553 4.209 ( 9.335 -5.774 -5.009) 12.065 4.209 ( 9.335 5.774 -5.009) 12.065 4.364 ( 0.528 -7.119 0.948) 7.202 4.364 ( 0.528 7.119 0.948) 7.202 4.516 ( 3.375 -2.534 1.103) 4.362 4.516 ( 3.375 2.534 1.103) 4.362 4.741 ( 0.837 -4.342 -4.453) 6.276 4.741 ( 0.837 4.342 -4.453) 6.276 4.883 ( 3.122 -2.413 -1.949) 4.401 4.883 ( 3.122 2.413 -1.949) 4.401 5.195 ( 6.523 -5.301 5.227) 9.898 5.195 ( 6.523 5.301 5.227) 9.898 5.243 ( 3.115 -4.188 -1.594) 5.457 5.243 ( 3.115 4.188 -1.594) 5.457 5.588 ( 4.681 -4.399 -4.344) 7.754 5.588 ( 4.681 4.399 -4.344) 7.754 5.662 ( -0.923 -2.843 5.701) 6.437 5.662 ( -0.923 2.843 5.701) 6.437 5.876 ( 1.546 -3.504 0.798) 3.912 5.876 ( 1.546 3.504 0.798) 3.912 6.021 ( 9.359 -7.656 2.051) 12.264 6.021 ( 9.359 7.656 2.051) 12.264 6.070 ( 3.789 -4.569 -3.371) 6.826 6.070 ( 3.789 4.569 -3.371) 6.826 6.243 ( 0.325 -4.216 -3.950) 5.786 6.243 ( 0.325 4.216 -3.950) 5.786 6.328 ( 3.487 -5.069 0.903) 6.219 6.328 ( 3.487 5.069 0.903) 6.219 6.691 ( 3.804 -10.444 -2.504) 11.394 6.691 ( 3.804 10.444 -2.504) 11.394 6.761 ( 2.691 -4.686 1.228) 5.542 6.761 ( 2.691 4.686 1.228) 5.542 7.008 ( 2.267 -3.641 -3.068) 5.273 7.008 ( 2.267 3.641 -3.068) 5.273 7.135 ( -4.824 -1.716 4.103) 6.561 7.135 ( -4.824 1.716 4.103) 6.561 7.219 ( 1.874 -3.664 3.018) 5.104 7.219 ( 1.874 3.664 3.018) 5.104 7.314 ( 4.201 -3.320 -7.011) 8.822 7.314 ( 4.201 3.320 -7.011) 8.822 7.521 ( 3.694 -2.594 2.703) 5.261 7.521 ( 3.694 2.594 2.703) 5.261 7.671 ( 0.781 -5.385 3.131) 6.278 7.671 ( 0.781 5.385 3.131) 6.278 7.759 ( 1.000 -6.309 -0.562) 6.413 7.759 ( 1.000 6.309 -0.562) 6.413 7.888 ( 2.531 -0.698 2.214) 3.434 7.888 ( 2.531 0.698 2.214) 3.434 8.016 ( 0.402 -3.831 -0.347) 3.867 8.016 ( 0.402 3.831 -0.347) 3.867 8.144 ( -0.656 -6.179 1.362) 6.362 8.144 ( -0.656 6.179 1.362) 6.362 8.273 ( 0.452 -10.070 -1.259) 10.159 8.273 ( 0.452 10.070 -1.259) 10.159 8.482 ( 0.737 -6.317 -7.524) 9.852 8.482 ( 0.737 6.317 -7.524) 9.852 8.612 ( 1.058 -1.120 -0.983) 1.828 8.612 ( 1.058 1.120 -0.983) 1.828 8.804 ( -2.330 -2.189 -0.335) 3.214 8.804 ( -2.330 2.189 -0.335) 3.214 8.921 ( 1.057 -4.207 1.200) 4.500 8.921 ( 1.057 4.207 1.200) 4.500 9.013 ( -0.362 -5.587 1.637) 5.833 9.013 ( -0.362 5.587 1.637) 5.833 9.127 ( -1.262 -4.157 -8.541) 9.582 9.127 ( -1.262 4.157 -8.541) 9.582 9.320 ( -1.344 -2.352 -0.193) 2.716 9.320 ( -1.344 2.352 -0.193) 2.716 9.535 ( -2.561 -4.127 2.147) 5.311 9.535 ( -2.561 4.127 2.147) 5.311 9.573 ( -2.169 -1.464 -1.778) 3.163 9.573 ( -2.169 1.464 -1.778) 3.163 9.769 ( 0.109 -8.232 -3.222) 8.841 9.769 ( 0.109 8.232 -3.222) 8.841 9.826 ( -4.431 -3.111 0.300) 5.422 9.826 ( -4.431 3.111 0.300) 5.422 10.088 ( 0.017 -3.770 1.951) 4.245 10.088 ( 0.017 3.770 1.951) 4.245 10.243 ( -2.258 -7.093 0.305) 7.450 10.243 ( -2.258 7.093 0.305) 7.450 10.673 ( -7.910 -2.948 3.789) 9.253 10.673 ( -7.910 2.948 3.789) 9.253 10.729 ( -6.292 -1.999 1.985) 6.894 10.729 ( -6.292 1.999 1.985) 6.894 11.197 ( -4.699 -5.422 3.948) 8.189 11.197 ( -4.699 5.422 3.948) 8.189 11.338 ( -4.357 -3.678 -2.305) 6.150 11.338 ( -4.357 3.678 -2.305) 6.150 11.735 ( -1.518 -12.127 0.513) 12.232 11.735 ( -1.518 12.127 0.513) 12.232 11.925 ( -7.912 -8.607 3.271) 12.140 11.925 ( -7.912 8.607 3.271) 12.140 12.492 ( 0.613 -3.209 -3.295) 4.640 12.492 ( 0.613 3.209 -3.295) 4.640 12.707 ( 12.527 -8.614 6.358) 16.479 12.707 ( 12.527 8.614 6.358) 16.479 14.112 ( -3.387 -3.523 -3.220) 5.852 14.112 ( -3.387 3.523 -3.220) 5.852 14.379 ( -8.201 -3.043 -5.951) 10.579 14.379 ( -8.201 3.043 -5.951) 10.579 14.562 ( -5.284 -2.247 -0.215) 5.746 14.562 ( -5.284 2.247 -0.215) 5.746 14.825 ( 0.809 -3.951 -1.321) 4.243 14.825 ( 0.809 3.951 -1.321) 4.243 16.107 ( -0.311 -1.593 -0.391) 1.670 16.107 ( -0.311 1.593 -0.391) 1.670 16.582 ( 4.152 -1.712 -9.707) 10.696 16.582 ( 4.152 1.712 -9.707) 10.696 16.989 ( 0.931 -1.959 -3.965) 4.520 16.989 ( 0.931 1.959 -3.965) 4.520 17.179 ( -0.157 -7.679 2.157) 7.978 17.179 ( -0.157 7.679 2.157) 7.978 17.311 ( -1.071 -4.733 4.536) 6.642 17.311 ( -1.071 4.733 4.536) 6.642 17.492 ( -0.026 -3.594 1.605) 3.936 17.492 ( -0.026 3.594 1.605) 3.936 17.616 ( -1.619 -1.850 -0.947) 2.635 17.616 ( -1.619 1.850 -0.947) 2.635 17.781 ( 0.150 -1.814 -1.190) 2.175 17.781 ( 0.150 1.814 -1.190) 2.175 17.856 ( -3.006 -0.985 -2.526) 4.048 17.856 ( -3.006 0.985 -2.526) 4.048 18.079 ( 0.397 -9.233 -2.553) 9.588 18.079 ( 0.397 9.233 -2.553) 9.588 18.206 ( -0.682 -4.225 5.220) 6.751 18.206 ( -0.682 4.225 5.220) 6.751 18.276 ( -0.602 -3.190 0.414) 3.272 18.276 ( -0.602 3.190 0.414) 3.272 18.537 ( -4.514 -5.340 6.680) 9.671 18.537 ( -4.514 5.340 6.680) 9.671 18.738 ( -0.745 -3.167 2.631) 4.185 18.738 ( -0.745 3.167 2.631) 4.185 20.237 ( 11.044 -0.162 0.098) 11.046 20.237 ( 11.044 0.162 0.098) 11.046 20.267 ( 10.890 -0.203 0.759) 10.919 20.267 ( 10.890 0.203 0.759) 10.919 20.410 ( 24.037 -6.718 -6.197) 25.716 20.410 ( 24.037 6.718 -6.197) 25.716 22.097 ( -2.511 -0.212 0.078) 2.521 22.097 ( -2.511 0.212 0.078) 2.521 22.120 ( -2.217 -0.419 -1.279) 2.593 22.120 ( -2.217 0.419 -1.279) 2.593 22.151 ( -2.790 -0.234 1.635) 3.242 22.151 ( -2.790 0.234 1.635) 3.242 26.933 ( -0.024 -1.149 1.172) 1.642 26.933 ( -0.024 1.149 1.172) 1.642 27.025 ( 0.160 -0.281 -0.122) 0.346 27.025 ( 0.160 0.281 -0.122) 0.346 27.484 ( -0.984 -1.456 1.630) 2.397 27.484 ( -0.984 1.456 1.630) 2.397 27.565 ( -1.478 -0.196 0.497) 1.571 27.565 ( -1.478 0.196 0.497) 1.571 27.714 ( 0.890 -1.139 -1.595) 2.153 27.714 ( 0.890 1.139 -1.595) 2.153 27.898 ( -1.612 -0.461 0.399) 1.723 27.898 ( -1.612 0.461 0.399) 1.723 36.630 ( 3.092 -3.181 -3.141) 5.435 36.630 ( 3.092 3.181 -3.141) 5.435 36.952 ( 1.354 -1.138 2.697) 3.226 36.952 ( 1.354 1.138 2.697) 3.226 37.067 ( 2.438 -1.244 4.128) 4.954 37.067 ( 2.438 1.244 4.128) 4.954 37.261 ( 2.798 -1.684 -0.427) 3.294 37.261 ( 2.798 1.684 -0.427) 3.294 37.352 ( 2.127 -2.048 10.332) 10.745 37.352 ( 2.127 2.048 10.332) 10.745 37.879 ( 1.307 -4.137 3.930) 5.854 37.879 ( 1.307 4.137 3.930) 5.854 38.005 ( 2.104 -2.247 3.957) 5.013 38.005 ( 2.104 2.247 3.957) 5.013 38.381 ( -5.487 -12.390 -11.980) 18.087 38.381 ( -5.487 12.390 -11.980) 18.087 38.626 ( -1.977 -17.535 -6.113) 18.675 38.626 ( -1.977 17.535 -6.113) 18.675 40.084 ( -12.874 -4.250 3.949) 14.120 40.084 ( -12.874 4.250 3.949) 14.120 40.288 ( -20.689 -12.354 -4.096) 24.442 40.288 ( -20.689 12.354 -4.096) 24.442 40.675 ( -24.343 -1.698 4.414) 24.798 40.675 ( -24.343 1.698 4.414) 24.798 ======================= Grid point 67 (36/84) ======================= q-point: ( 0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 15.192 -10.493 18.092) 25.850 1.672 ( 15.192 10.493 18.092) 25.850 1.920 ( 13.606 -11.326 14.930) 23.158 1.920 ( 13.606 11.326 14.930) 23.158 2.231 ( 3.083 -5.471 -9.137) 11.087 2.231 ( 3.083 5.471 -9.137) 11.087 2.512 ( -0.041 -2.966 -10.098) 10.525 2.512 ( -0.041 2.966 -10.098) 10.525 2.686 ( -0.005 -9.351 -6.824) 11.576 2.686 ( -0.005 9.351 -6.824) 11.576 3.020 ( -0.256 -9.933 -0.257) 9.939 3.020 ( -0.256 9.933 -0.257) 9.939 3.172 ( -4.422 -2.290 6.169) 7.928 3.172 ( -4.422 2.290 6.169) 7.928 3.392 ( 2.458 -17.435 6.304) 18.702 3.392 ( 2.458 17.435 6.304) 18.702 3.627 ( -4.678 -3.593 -2.466) 6.394 3.627 ( -4.678 3.593 -2.466) 6.394 3.746 ( 3.024 -7.807 1.757) 8.554 3.746 ( 3.024 7.807 1.757) 8.554 3.846 ( 2.724 -5.327 3.547) 6.955 3.846 ( 2.724 5.327 3.547) 6.955 4.035 ( -1.945 -5.097 -0.304) 5.464 4.035 ( -1.945 5.097 -0.304) 5.464 4.321 ( -1.018 -4.463 -3.869) 5.994 4.321 ( -1.018 4.463 -3.869) 5.994 4.446 ( 9.687 -1.763 1.181) 9.916 4.446 ( 9.687 1.763 1.181) 9.916 4.589 ( 5.017 -2.907 -4.794) 7.523 4.589 ( 5.017 2.907 -4.794) 7.523 4.786 ( 6.010 -3.785 1.098) 7.187 4.786 ( 6.010 3.785 1.098) 7.187 4.954 ( 5.062 -2.788 0.029) 5.779 4.954 ( 5.062 2.788 0.029) 5.779 5.300 ( 5.384 -2.560 -1.754) 6.214 5.300 ( 5.384 2.560 -1.754) 6.214 5.370 ( 5.002 -6.656 3.534) 9.045 5.370 ( 5.002 6.656 3.534) 9.045 5.592 ( 0.541 -2.688 -5.833) 6.445 5.592 ( 0.541 2.688 -5.833) 6.445 5.757 ( 4.583 -3.089 4.279) 6.990 5.757 ( 4.583 3.089 4.279) 6.990 5.916 ( 3.780 -3.996 1.684) 5.753 5.916 ( 3.780 3.996 1.684) 5.753 6.088 ( 1.295 -2.880 -2.194) 3.845 6.088 ( 1.295 2.880 -2.194) 3.845 6.235 ( 2.444 -9.168 1.972) 9.691 6.235 ( 2.444 9.168 1.972) 9.691 6.304 ( 10.736 -3.838 1.877) 11.555 6.304 ( 10.736 3.838 1.877) 11.555 6.442 ( 8.184 -2.988 0.396) 8.721 6.442 ( 8.184 2.988 0.396) 8.721 6.781 ( 4.716 -3.869 -1.595) 6.305 6.781 ( 4.716 3.869 -1.595) 6.305 6.849 ( 5.552 -3.997 -1.472) 6.997 6.849 ( 5.552 3.997 -1.472) 6.997 7.012 ( 3.657 -4.630 -1.435) 6.072 7.012 ( 3.657 4.630 -1.435) 6.072 7.105 ( -1.875 -6.243 3.904) 7.598 7.105 ( -1.875 6.243 3.904) 7.598 7.316 ( 5.495 -5.075 2.015) 7.747 7.316 ( 5.495 5.075 2.015) 7.747 7.385 ( 9.451 -3.233 -6.530) 11.934 7.385 ( 9.451 3.233 -6.530) 11.934 7.629 ( 3.163 -0.298 5.903) 6.703 7.629 ( 3.163 0.298 5.903) 6.703 7.698 ( 0.922 -5.950 -0.269) 6.027 7.698 ( 0.922 5.950 -0.269) 6.027 7.814 ( 2.749 -4.795 4.597) 7.189 7.814 ( 2.749 4.795 4.597) 7.189 7.934 ( 0.170 -1.351 1.216) 1.825 7.934 ( 0.170 1.351 1.216) 1.825 8.060 ( 4.197 -2.649 -0.520) 4.990 8.060 ( 4.197 2.649 -0.520) 4.990 8.100 ( -0.763 -4.993 -3.908) 6.386 8.100 ( -0.763 4.993 -3.908) 6.386 8.286 ( 0.702 -5.281 -0.583) 5.360 8.286 ( 0.702 5.281 -0.583) 5.360 8.458 ( 1.511 -1.389 -4.109) 4.593 8.458 ( 1.511 1.389 -4.109) 4.593 8.616 ( 0.650 -2.527 -0.636) 2.686 8.616 ( 0.650 2.527 -0.636) 2.686 8.755 ( -2.989 -2.627 0.005) 3.979 8.755 ( -2.989 2.627 0.005) 3.979 8.935 ( 0.150 -5.389 -5.980) 8.051 8.935 ( 0.150 5.389 -5.980) 8.051 9.004 ( -1.298 -4.947 0.792) 5.175 9.004 ( -1.298 4.947 0.792) 5.175 9.046 ( -2.415 -3.628 0.707) 4.415 9.046 ( -2.415 3.628 0.707) 4.415 9.281 ( -1.725 -1.877 -1.645) 3.034 9.281 ( -1.725 1.877 -1.645) 3.034 9.473 ( -4.952 -5.496 1.687) 7.588 9.473 ( -4.952 5.496 1.687) 7.588 9.513 ( -2.472 -1.884 -0.012) 3.108 9.513 ( -2.472 1.884 -0.012) 3.108 9.645 ( -7.400 -6.505 -2.060) 10.066 9.645 ( -7.400 6.505 -2.060) 10.066 9.819 ( -0.112 -4.806 -0.607) 4.846 9.819 ( -0.112 4.806 -0.607) 4.846 10.055 ( -5.133 -5.093 -0.107) 7.232 10.055 ( -5.133 5.093 -0.107) 7.232 10.165 ( -4.618 -5.021 0.446) 6.836 10.165 ( -4.618 5.021 0.446) 6.836 10.487 ( -11.297 -4.788 1.813) 12.403 10.487 ( -11.297 4.788 1.813) 12.403 10.642 ( -6.000 -5.255 -0.157) 7.978 10.642 ( -6.000 5.255 -0.157) 7.978 11.068 ( -10.685 -4.463 4.635) 12.473 11.068 ( -10.685 4.463 4.635) 12.473 11.211 ( -4.903 -3.758 -3.967) 7.342 11.211 ( -4.903 3.758 -3.967) 7.342 11.602 ( -8.999 -13.129 -4.203) 16.462 11.602 ( -8.999 13.129 -4.203) 16.462 11.920 ( 0.364 -3.705 9.038) 9.775 11.920 ( 0.364 3.705 9.038) 9.775 12.466 ( 1.208 -0.922 -4.529) 4.777 12.466 ( 1.208 0.922 -4.529) 4.777 12.945 ( 6.069 -10.281 2.931) 12.293 12.945 ( 6.069 10.281 2.931) 12.293 14.007 ( -4.801 -4.241 -2.575) 6.904 14.007 ( -4.801 4.241 -2.575) 6.904 14.141 ( -8.263 -5.652 -2.314) 10.275 14.141 ( -8.263 5.652 -2.314) 10.275 14.532 ( -1.045 -3.343 2.369) 4.229 14.532 ( -1.045 3.343 2.369) 4.229 14.813 ( -0.576 -4.640 -2.380) 5.247 14.813 ( -0.576 4.640 -2.380) 5.247 16.121 ( 1.905 -1.286 -0.714) 2.407 16.121 ( 1.905 1.286 -0.714) 2.407 16.599 ( 4.668 -2.380 -7.026) 8.765 16.599 ( 4.668 2.380 -7.026) 8.765 16.986 ( 1.890 -1.233 -3.233) 3.942 16.986 ( 1.890 1.233 -3.233) 3.942 17.189 ( -0.875 -6.702 2.787) 7.311 17.189 ( -0.875 6.702 2.787) 7.311 17.334 ( -0.747 -4.020 4.789) 6.297 17.334 ( -0.747 4.020 4.789) 6.297 17.519 ( 1.056 -3.323 2.215) 4.130 17.519 ( 1.056 3.323 2.215) 4.130 17.581 ( -1.268 -2.865 -0.362) 3.154 17.581 ( -1.268 2.865 -0.362) 3.154 17.755 ( -1.388 -3.238 -4.068) 5.382 17.755 ( -1.388 3.238 -4.068) 5.382 17.789 ( -1.808 -1.534 -0.602) 2.447 17.789 ( -1.808 1.534 -0.602) 2.447 18.055 ( 0.149 -7.138 -3.967) 8.167 18.055 ( 0.149 7.138 -3.967) 8.167 18.227 ( -1.977 -3.529 5.753) 7.033 18.227 ( -1.977 3.529 5.753) 7.033 18.265 ( -0.323 -4.368 -0.596) 4.420 18.265 ( -0.323 4.368 -0.596) 4.420 18.515 ( -3.004 -4.931 5.399) 7.904 18.515 ( -3.004 4.931 5.399) 7.904 18.743 ( -0.838 -2.352 2.167) 3.306 18.743 ( -0.838 2.352 2.167) 3.306 20.514 ( 16.943 -0.548 0.102) 16.953 20.514 ( 16.943 0.548 0.102) 16.953 20.581 ( 18.860 -1.768 3.502) 19.264 20.581 ( 18.860 1.768 3.502) 19.264 20.811 ( 23.469 -8.968 -10.722) 27.316 20.811 ( 23.469 8.968 -10.722) 27.316 22.013 ( -6.083 -0.892 -0.555) 6.173 22.013 ( -6.083 0.892 -0.555) 6.173 22.032 ( -5.751 -0.637 -1.859) 6.077 22.032 ( -5.751 0.637 -1.859) 6.077 22.102 ( -4.238 -0.982 3.041) 5.308 22.102 ( -4.238 0.982 3.041) 5.308 26.941 ( -0.125 -0.910 1.085) 1.421 26.941 ( -0.125 0.910 1.085) 1.421 27.029 ( 0.475 -0.378 -0.357) 0.704 27.029 ( 0.475 0.378 -0.357) 0.704 27.476 ( -1.230 -1.167 1.727) 2.420 27.476 ( -1.230 1.167 1.727) 2.420 27.536 ( -1.689 -0.490 0.173) 1.767 27.536 ( -1.689 0.490 0.173) 1.767 27.719 ( 0.879 -0.376 -1.503) 1.782 27.719 ( 0.879 0.376 -1.503) 1.782 27.861 ( -2.220 -0.457 0.272) 2.282 27.861 ( -2.220 0.457 0.272) 2.282 36.678 ( 4.530 -2.425 -3.462) 6.196 36.678 ( 4.530 2.425 -3.462) 6.196 37.001 ( 1.575 -0.712 1.833) 2.520 37.001 ( 1.575 0.712 1.833) 2.520 37.185 ( 4.984 -1.080 6.606) 8.345 37.185 ( 4.984 1.080 6.606) 8.345 37.318 ( 4.551 -1.258 -2.956) 5.570 37.318 ( 4.551 1.258 -2.956) 5.570 37.505 ( 3.850 -0.260 11.790) 12.405 37.505 ( 3.850 0.260 11.790) 12.405 37.925 ( 0.149 -5.367 1.541) 5.586 37.925 ( 0.149 5.367 1.541) 5.586 38.105 ( 5.252 -3.721 -0.763) 6.482 38.105 ( 5.252 3.721 -0.763) 6.482 38.185 ( -4.113 -4.657 -5.632) 8.386 38.185 ( -4.113 4.657 -5.632) 8.386 38.530 ( -2.695 -13.362 -5.119) 14.561 38.530 ( -2.695 13.362 -5.119) 14.561 39.678 ( -29.331 -11.841 6.609) 32.314 39.678 ( -29.331 11.841 6.609) 32.314 39.858 ( -20.653 -8.984 -3.103) 22.735 39.858 ( -20.653 8.984 -3.103) 22.735 40.247 ( -24.195 -4.826 4.069) 25.005 40.247 ( -24.195 4.826 4.069) 25.005 ======================= Grid point 69 (37/84) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 7.125 -5.405 1.123) 9.013 1.985 ( 7.125 5.405 1.123) 9.013 2.227 ( 8.176 -1.220 -1.489) 8.399 2.227 ( 8.176 1.220 -1.489) 8.399 2.308 ( 9.756 -2.752 4.070) 10.923 2.308 ( 9.756 2.752 4.070) 10.923 2.472 ( 3.803 -4.274 -1.951) 6.045 2.472 ( 3.803 4.274 -1.951) 6.045 2.679 ( -0.714 -5.954 -0.022) 5.997 2.679 ( -0.714 5.954 -0.022) 5.997 2.950 ( -3.725 -4.170 -0.137) 5.593 2.950 ( -3.725 4.170 -0.137) 5.593 3.149 ( -3.578 -3.921 4.177) 6.754 3.149 ( -3.578 3.921 4.177) 6.754 3.420 ( -4.772 -7.154 -2.282) 8.897 3.420 ( -4.772 7.154 -2.282) 8.897 3.514 ( -1.411 -9.096 -1.456) 9.319 3.514 ( -1.411 9.096 -1.456) 9.319 3.675 ( -5.382 -6.552 -2.554) 8.856 3.675 ( -5.382 6.552 -2.554) 8.856 3.962 ( 5.279 -3.873 1.283) 6.672 3.962 ( 5.279 3.873 1.283) 6.672 4.122 ( 5.498 -8.119 2.748) 10.184 4.122 ( 5.498 8.119 2.748) 10.184 4.254 ( -1.339 -6.340 -1.545) 6.661 4.254 ( -1.340 6.340 -1.545) 6.661 4.579 ( 3.190 -1.976 6.323) 7.353 4.579 ( 3.190 1.976 6.323) 7.353 4.724 ( 9.912 -5.410 -3.069) 11.702 4.724 ( 9.912 5.410 -3.069) 11.702 4.884 ( 1.800 -2.340 1.918) 3.521 4.884 ( 1.800 2.340 1.918) 3.521 5.103 ( 9.895 -3.372 -0.653) 10.474 5.103 ( 9.895 3.372 -0.653) 10.474 5.380 ( 4.128 -3.140 -2.343) 5.691 5.380 ( 4.128 3.140 -2.343) 5.691 5.442 ( 0.406 -4.271 2.607) 5.020 5.442 ( 0.406 4.271 2.607) 5.020 5.545 ( 0.063 -4.410 -5.433) 6.998 5.545 ( 0.063 4.410 -5.433) 6.998 5.852 ( 1.836 -0.447 3.507) 3.984 5.852 ( 1.836 0.447 3.507) 3.984 6.023 ( 4.212 -6.738 -1.747) 8.136 6.023 ( 4.212 6.738 -1.747) 8.136 6.108 ( 1.858 -0.520 2.033) 2.803 6.108 ( 1.858 0.520 2.033) 2.803 6.300 ( 1.040 -4.661 7.483) 8.877 6.300 ( 1.040 4.661 7.483) 8.877 6.430 ( 1.927 -1.495 -2.073) 3.201 6.430 ( 1.927 1.495 -2.073) 3.201 6.630 ( 8.640 -3.161 -1.691) 9.355 6.630 ( 8.640 3.161 -1.691) 9.355 6.787 ( -1.104 -4.815 -2.388) 5.486 6.787 ( -1.104 4.815 -2.388) 5.486 6.954 ( 5.566 -1.738 0.283) 5.838 6.954 ( 5.566 1.738 0.283) 5.838 7.138 ( 5.765 -7.222 3.270) 9.802 7.138 ( 5.765 7.222 3.270) 9.802 7.202 ( 10.830 -0.881 3.484) 11.411 7.202 ( 10.830 0.881 3.484) 11.411 7.434 ( 7.755 -1.500 -5.529) 9.642 7.434 ( 7.755 1.500 -5.529) 9.642 7.543 ( 8.238 -4.586 0.691) 9.454 7.543 ( 8.238 4.586 0.691) 9.454 7.689 ( -2.104 -1.047 2.984) 3.799 7.689 ( -2.104 1.047 2.984) 3.799 7.736 ( 4.004 -2.201 -0.572) 4.604 7.736 ( 4.004 2.201 -0.572) 4.604 7.903 ( 1.187 -5.664 -1.429) 5.961 7.903 ( 1.187 5.664 -1.429) 5.961 7.935 ( 1.600 -3.378 -0.663) 3.796 7.935 ( 1.600 3.378 -0.663) 3.796 8.066 ( 3.568 -3.144 0.231) 4.761 8.066 ( 3.568 3.144 0.231) 4.761 8.189 ( 3.828 -2.498 3.464) 5.735 8.189 ( 3.828 2.498 3.464) 5.735 8.315 ( 3.947 -3.742 1.942) 5.775 8.315 ( 3.947 3.742 1.942) 5.775 8.448 ( -0.561 -1.406 -2.337) 2.785 8.448 ( -0.561 1.406 -2.337) 2.785 8.601 ( -3.800 -2.355 -0.722) 4.529 8.601 ( -3.800 2.355 -0.722) 4.529 8.682 ( -3.401 -2.519 -1.503) 4.491 8.682 ( -3.401 2.519 -1.503) 4.491 8.847 ( -2.345 -5.941 -1.247) 6.508 8.847 ( -2.345 5.941 -1.247) 6.508 8.993 ( -3.992 -3.841 1.778) 5.818 8.993 ( -3.992 3.841 1.778) 5.818 9.031 ( 1.505 -6.031 0.086) 6.217 9.031 ( 1.505 6.031 0.086) 6.217 9.231 ( -0.883 -1.892 -3.754) 4.295 9.231 ( -0.883 1.892 -3.754) 4.295 9.391 ( -4.314 -5.398 0.085) 6.911 9.391 ( -4.314 5.398 0.085) 6.911 9.441 ( -5.967 -1.937 -1.583) 6.470 9.441 ( -5.967 1.937 -1.583) 6.470 9.553 ( -0.848 -4.860 4.212) 6.487 9.553 ( -0.848 4.860 4.212) 6.487 9.736 ( -7.338 -2.598 -1.713) 7.971 9.736 ( -7.338 2.598 -1.713) 7.971 9.924 ( -5.289 -2.718 -2.305) 6.378 9.924 ( -5.289 2.718 -2.305) 6.378 10.087 ( -4.706 -2.806 0.003) 5.479 10.087 ( -4.706 2.806 0.003) 5.479 10.313 ( -8.085 -1.487 1.800) 8.415 10.313 ( -8.085 1.487 1.800) 8.415 10.486 ( -7.565 -5.307 -1.153) 9.313 10.486 ( -7.565 5.307 -1.153) 9.313 10.892 ( -7.736 -1.551 -3.754) 8.737 10.892 ( -7.736 1.551 -3.754) 8.737 11.132 ( -1.850 -6.188 2.101) 6.792 11.132 ( -1.850 6.188 2.101) 6.792 11.403 ( -7.457 -9.351 -3.724) 12.527 11.403 ( -7.457 9.351 -3.724) 12.527 11.985 ( -0.804 -6.212 4.636) 7.793 11.985 ( -0.804 6.212 4.636) 7.793 12.478 ( 2.545 -1.378 -1.080) 3.089 12.478 ( 2.545 1.378 -1.080) 3.089 12.985 ( -1.461 -11.065 -0.584) 11.177 12.985 ( -1.461 11.065 -0.584) 11.177 13.933 ( -1.621 -2.891 1.384) 3.591 13.933 ( -1.621 2.891 1.384) 3.591 14.034 ( -2.888 -0.419 -0.802) 3.027 14.034 ( -2.888 0.419 -0.802) 3.027 14.539 ( 0.237 -3.705 0.834) 3.805 14.539 ( 0.237 3.705 0.834) 3.805 14.766 ( -1.667 -4.648 -3.392) 5.991 14.766 ( -1.667 4.648 -3.392) 5.991 16.158 ( 2.017 -0.957 -0.008) 2.233 16.158 ( 2.017 0.957 -0.008) 2.233 16.639 ( 4.090 -1.612 -4.600) 6.363 16.639 ( 4.090 1.612 -4.600) 6.363 17.005 ( 2.181 -0.254 -2.270) 3.158 17.005 ( 2.181 0.254 -2.270) 3.158 17.196 ( -0.613 -3.800 2.852) 4.790 17.196 ( -0.613 3.800 2.852) 4.790 17.353 ( -0.946 -1.772 3.462) 4.003 17.353 ( -0.946 1.772 3.462) 4.003 17.542 ( 0.280 -1.467 -1.222) 1.929 17.542 ( 0.280 1.467 -1.222) 1.929 17.582 ( 0.031 -2.603 4.283) 5.012 17.582 ( 0.031 2.603 4.283) 5.012 17.681 ( -2.339 -4.165 -3.424) 5.877 17.681 ( -2.339 4.165 -3.424) 5.877 17.769 ( 0.590 -1.135 -2.101) 2.460 17.769 ( 0.590 1.135 -2.101) 2.460 18.025 ( -0.072 -5.031 -3.352) 6.046 18.025 ( -0.072 5.031 -3.352) 6.046 18.219 ( -2.160 -4.051 2.240) 5.108 18.219 ( -2.160 4.051 2.240) 5.108 18.257 ( -0.304 -3.833 0.174) 3.849 18.257 ( -0.304 3.833 0.174) 3.849 18.506 ( -2.246 -4.907 4.682) 7.145 18.506 ( -2.246 4.907 4.682) 7.145 18.741 ( -0.817 -1.690 1.189) 2.222 18.741 ( -0.817 1.690 1.189) 2.222 20.868 ( 19.031 -0.422 0.002) 19.036 20.868 ( 19.031 0.422 0.002) 19.036 21.009 ( 20.193 -3.210 6.153) 21.352 21.009 ( 20.193 3.210 6.153) 21.352 21.135 ( 18.999 -6.699 -9.913) 22.453 21.135 ( 18.999 6.699 -9.913) 22.453 21.850 ( -9.884 -1.628 -1.931) 10.201 21.850 ( -9.884 1.628 -1.931) 10.201 21.866 ( -9.767 -1.175 -1.658) 9.976 21.866 ( -9.767 1.175 -1.658) 9.976 22.036 ( -5.920 -2.540 4.584) 7.906 22.036 ( -5.920 2.540 4.584) 7.906 26.945 ( -0.314 -0.517 0.825) 1.024 26.945 ( -0.314 0.517 0.825) 1.024 27.036 ( 0.600 -0.331 -0.558) 0.884 27.036 ( 0.600 0.331 -0.558) 0.884 27.467 ( -1.130 -0.930 1.718) 2.256 27.467 ( -1.130 0.930 1.718) 2.256 27.508 ( -1.119 -0.841 0.130) 1.406 27.508 ( -1.119 0.841 0.130) 1.406 27.723 ( 0.842 -0.379 -1.339) 1.627 27.723 ( 0.842 0.379 -1.339) 1.627 27.822 ( -1.799 -0.535 -0.170) 1.885 27.822 ( -1.799 0.535 -0.170) 1.885 36.741 ( 5.098 -1.657 -4.089) 6.743 36.741 ( 5.098 1.657 -4.089) 6.743 37.036 ( 0.435 -0.830 1.535) 1.798 37.036 ( 0.435 0.830 1.535) 1.798 37.340 ( 4.994 -0.630 4.496) 6.749 37.340 ( 4.994 0.630 4.496) 6.749 37.373 ( 3.366 -4.917 -2.744) 6.560 37.373 ( 3.366 4.917 -2.744) 6.560 37.661 ( 0.569 -3.105 9.539) 10.047 37.661 ( 0.569 3.105 9.539) 10.047 37.903 ( 2.571 -4.379 -4.376) 6.703 37.903 ( 2.571 4.379 -4.376) 6.703 38.091 ( 0.596 -4.182 1.123) 4.372 38.091 ( 0.596 4.182 1.123) 4.372 38.298 ( 8.838 -2.702 2.178) 9.495 38.298 ( 8.838 2.702 2.178) 9.495 38.458 ( -0.660 -5.306 -2.958) 6.111 38.458 ( -0.660 5.306 -2.958) 6.111 39.215 ( -22.480 -9.743 4.526) 24.915 39.215 ( -22.480 9.743 4.526) 24.915 39.383 ( -23.295 -0.687 -5.368) 23.915 39.383 ( -23.295 0.687 -5.368) 23.915 39.815 ( -22.439 -5.468 1.564) 23.149 39.815 ( -22.439 5.468 1.564) 23.149 ======================= Grid point 71 (38/84) ======================= q-point: ( 0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 3.835 -2.985 -4.724) 6.777 2.055 ( 3.835 2.985 -4.724) 6.777 2.276 ( 2.545 -2.645 -10.704) 11.316 2.276 ( 2.545 2.645 -10.704) 11.316 2.429 ( -1.106 -2.095 -5.189) 5.704 2.429 ( -1.106 2.095 -5.189) 5.704 2.596 ( 2.500 -4.244 5.325) 7.254 2.596 ( 2.500 4.244 5.325) 7.254 2.619 ( 1.056 -5.731 -1.202) 5.950 2.619 ( 1.056 5.731 -1.202) 5.950 2.895 ( -8.010 -1.874 5.079) 9.668 2.895 ( -8.010 1.874 5.079) 9.668 3.111 ( -4.548 -4.837 2.010) 6.937 3.111 ( -4.548 4.837 2.010) 6.937 3.274 ( 1.319 -4.236 -6.776) 8.099 3.274 ( 1.319 4.236 -6.776) 8.099 3.483 ( 0.846 -5.989 1.919) 6.346 3.483 ( 0.846 5.989 1.919) 6.346 3.700 ( 2.468 -9.580 4.908) 11.043 3.700 ( 2.468 9.580 4.908) 11.043 4.016 ( 0.171 -2.461 -0.813) 2.597 4.016 ( 0.171 2.461 -0.813) 2.597 4.173 ( 4.375 -0.666 -1.406) 4.643 4.173 ( 4.375 0.666 -1.407) 4.643 4.310 ( 0.160 -13.215 5.434) 14.289 4.310 ( 0.160 13.215 5.434) 14.289 4.652 ( -1.353 -2.273 3.494) 4.382 4.652 ( -1.353 2.273 3.494) 4.382 4.856 ( 4.281 -5.070 0.508) 6.655 4.856 ( 4.281 5.070 0.508) 6.655 4.931 ( 2.386 -2.471 2.433) 4.209 4.931 ( 2.386 2.471 2.433) 4.209 5.237 ( 3.467 -2.023 -2.932) 4.971 5.237 ( 3.467 2.023 -2.932) 4.971 5.413 ( 0.822 -1.060 0.005) 1.341 5.413 ( 0.822 1.060 0.005) 1.341 5.474 ( 0.369 -1.722 3.083) 3.550 5.474 ( 0.369 1.722 3.083) 3.550 5.539 ( 3.192 -4.345 -0.986) 5.481 5.539 ( 3.192 4.345 -0.986) 5.481 5.878 ( -1.201 -0.853 1.977) 2.466 5.878 ( -1.201 0.853 1.977) 2.466 6.025 ( -0.426 -5.419 -5.498) 7.731 6.025 ( -0.426 5.419 -5.498) 7.731 6.164 ( 0.814 -3.738 2.487) 4.563 6.164 ( 0.814 3.738 2.487) 4.563 6.301 ( -4.581 -4.056 -0.589) 6.147 6.301 ( -4.581 4.056 -0.589) 6.147 6.481 ( 3.792 -3.998 4.447) 7.080 6.481 ( 3.792 3.998 4.447) 7.080 6.686 ( -0.616 -7.009 -0.891) 7.092 6.686 ( -0.616 7.009 -0.891) 7.092 6.759 ( 1.432 -6.182 -2.534) 6.833 6.759 ( 1.432 6.182 -2.534) 6.833 7.067 ( 3.867 -0.937 5.525) 6.809 7.067 ( 3.867 0.937 5.525) 6.809 7.289 ( 5.016 -1.784 -5.096) 7.369 7.289 ( 5.016 1.784 -5.096) 7.369 7.372 ( 3.644 -2.782 2.599) 5.270 7.372 ( 3.644 2.782 2.599) 5.270 7.540 ( 1.993 -4.348 -1.737) 5.088 7.540 ( 1.993 4.348 -1.737) 5.088 7.605 ( -4.382 -3.793 2.707) 6.397 7.605 ( -4.382 3.793 2.707) 6.397 7.662 ( 1.665 -4.356 -0.617) 4.704 7.662 ( 1.665 4.356 -0.617) 4.704 7.814 ( -1.368 -2.327 -2.045) 3.386 7.814 ( -1.368 2.327 -2.045) 3.386 7.911 ( 8.938 -1.629 -0.858) 9.126 7.911 ( 8.938 1.629 -0.858) 9.126 7.974 ( 6.919 -1.154 -3.988) 8.069 7.974 ( 6.919 1.154 -3.988) 8.069 8.170 ( 1.846 -1.541 1.588) 2.882 8.170 ( 1.846 1.541 1.588) 2.882 8.287 ( 1.338 -0.935 5.153) 5.405 8.287 ( 1.338 0.935 5.153) 5.405 8.367 ( -3.342 -4.815 -5.210) 7.842 8.367 ( -3.342 4.815 -5.210) 7.842 8.434 ( 0.898 -3.298 7.896) 8.604 8.434 ( 0.898 3.298 7.896) 8.604 8.512 ( -0.344 -0.845 -0.720) 1.162 8.512 ( -0.344 0.845 -0.720) 1.162 8.621 ( -1.885 -2.439 1.185) 3.303 8.621 ( -1.885 2.439 1.185) 3.303 8.813 ( -5.714 -4.474 3.793) 8.188 8.813 ( -5.714 4.474 3.793) 8.188 8.934 ( -0.221 -1.134 -0.093) 1.159 8.934 ( -0.221 1.134 -0.093) 1.159 9.070 ( 1.734 -5.759 -0.498) 6.035 9.070 ( 1.734 5.759 -0.498) 6.035 9.196 ( 0.934 -4.160 -3.778) 5.697 9.196 ( 0.934 4.160 -3.778) 5.697 9.309 ( -2.070 -6.390 -0.932) 6.781 9.309 ( -2.070 6.390 -0.932) 6.781 9.371 ( -1.057 -2.509 2.306) 3.568 9.371 ( -1.057 2.509 2.306) 3.568 9.493 ( -5.717 -4.391 -2.310) 7.569 9.493 ( -5.717 4.391 -2.310) 7.569 9.704 ( 3.147 -1.284 5.728) 6.660 9.704 ( 3.147 1.284 5.728) 6.660 9.810 ( -4.950 -3.797 -1.768) 6.484 9.810 ( -4.950 3.797 -1.768) 6.484 10.022 ( 0.223 -1.933 -1.553) 2.490 10.022 ( 0.223 1.933 -1.553) 2.490 10.147 ( -6.619 -2.449 -5.752) 9.104 10.147 ( -6.619 2.449 -5.752) 9.104 10.424 ( -1.564 -4.698 5.907) 7.708 10.424 ( -1.564 4.698 5.907) 7.708 10.733 ( -2.822 -2.377 -8.497) 9.264 10.733 ( -2.822 2.377 -8.497) 9.264 11.159 ( 2.604 -8.212 1.066) 8.680 11.159 ( 2.604 8.212 1.066) 8.680 11.265 ( -4.355 -8.206 -1.199) 9.367 11.265 ( -4.355 8.206 -1.199) 9.367 11.945 ( -3.731 -5.552 -2.965) 7.317 11.945 ( -3.731 5.552 -2.965) 7.317 12.542 ( 2.476 -1.384 3.853) 4.785 12.542 ( 2.476 1.384 3.853) 4.785 12.951 ( -0.620 -10.170 -0.100) 10.190 12.951 ( -0.620 10.170 -0.100) 10.190 13.920 ( -2.853 -7.745 2.376) 8.589 13.920 ( -2.853 7.745 2.376) 8.589 14.011 ( 1.548 -4.653 -0.319) 4.914 14.011 ( 1.548 4.653 -0.319) 4.914 14.543 ( -0.275 -2.458 -1.319) 2.803 14.543 ( -0.275 2.458 -1.319) 2.803 14.714 ( 0.126 -1.907 -3.530) 4.015 14.714 ( 0.126 1.907 -3.530) 4.015 16.193 ( 0.936 -0.292 1.216) 1.562 16.193 ( 0.936 0.292 1.216) 1.562 16.674 ( 2.627 -0.665 -3.119) 4.132 16.674 ( 2.627 0.665 -3.119) 4.132 17.026 ( 1.607 -0.844 -1.649) 2.453 17.026 ( 1.607 0.844 -1.649) 2.453 17.214 ( -0.267 -0.785 3.295) 3.398 17.214 ( -0.267 0.785 3.295) 3.398 17.354 ( -1.063 -1.539 1.760) 2.568 17.354 ( -1.063 1.539 1.760) 2.568 17.530 ( -0.546 -1.861 -0.828) 2.109 17.530 ( -0.546 1.861 -0.828) 2.109 17.588 ( -1.258 -1.161 -3.084) 3.527 17.588 ( -1.258 1.161 -3.084) 3.527 17.656 ( 0.680 -3.268 4.357) 5.488 17.656 ( 0.680 3.268 4.357) 5.488 17.778 ( 1.942 -1.997 -1.870) 3.355 17.778 ( 1.942 1.997 -1.870) 3.355 17.999 ( -0.222 -3.745 -2.109) 4.303 17.999 ( -0.222 3.745 -2.109) 4.303 18.184 ( -2.139 -6.032 -0.615) 6.430 18.184 ( -2.139 6.032 -0.615) 6.430 18.256 ( 0.358 -2.122 -0.679) 2.257 18.256 ( 0.358 2.122 -0.679) 2.257 18.501 ( -2.298 -4.539 4.549) 6.824 18.501 ( -2.298 4.539 4.549) 6.824 18.731 ( -0.722 -1.197 0.282) 1.426 18.731 ( -0.722 1.197 0.282) 1.427 21.222 ( 16.741 -0.597 0.135) 16.752 21.222 ( 16.741 0.597 0.135) 16.752 21.366 ( 9.460 -3.622 -4.146) 10.945 21.366 ( 9.460 3.622 -4.146) 10.945 21.417 ( 13.930 -3.207 4.355) 14.944 21.417 ( 13.930 3.207 4.355) 14.944 21.606 ( -11.219 -2.445 -2.642) 11.782 21.606 ( -11.219 2.445 -2.642) 11.782 21.655 ( -7.824 -1.978 -2.006) 8.316 21.655 ( -7.824 1.978 -2.006) 8.316 21.949 ( -7.341 -5.297 5.845) 10.776 21.949 ( -7.341 5.297 5.845) 10.776 26.944 ( -0.395 -0.337 0.624) 0.812 26.944 ( -0.395 0.337 0.624) 0.812 27.042 ( 0.467 -0.116 -0.676) 0.830 27.042 ( 0.467 0.116 -0.676) 0.830 27.460 ( -0.972 -0.762 1.423) 1.884 27.460 ( -0.972 0.762 1.423) 1.884 27.498 ( -0.209 -0.916 0.634) 1.133 27.498 ( -0.209 0.916 0.634) 1.133 27.730 ( 0.745 -0.651 -0.920) 1.351 27.730 ( 0.745 0.651 -0.920) 1.351 27.792 ( -0.786 -0.597 -0.891) 1.330 27.792 ( -0.786 0.597 -0.891) 1.330 36.802 ( 4.500 -1.192 -4.215) 6.279 36.802 ( 4.500 1.192 -4.215) 6.279 37.035 ( -1.636 -2.105 0.791) 2.781 37.035 ( -1.636 2.105 0.791) 2.781 37.352 ( -1.196 -4.047 -5.420) 6.869 37.352 ( -1.196 4.047 -5.420) 6.869 37.423 ( 0.487 -6.311 -3.207) 7.096 37.423 ( 0.487 6.311 -3.207) 7.096 37.681 ( -2.917 -3.011 10.657) 11.452 37.681 ( -2.917 3.011 10.657) 11.452 38.012 ( 5.615 -3.081 0.129) 6.406 38.012 ( 5.615 3.081 0.129) 6.406 38.150 ( 2.988 -8.418 2.754) 9.348 38.150 ( 2.988 8.418 2.754) 9.348 38.421 ( -0.278 -1.776 3.693) 4.107 38.421 ( -0.278 1.776 3.693) 4.107 38.503 ( 5.698 -7.395 -0.483) 9.348 38.503 ( 5.698 7.395 -0.483) 9.348 38.907 ( -10.284 -2.475 -1.164) 10.642 38.907 ( -10.284 2.475 -1.164) 10.642 38.999 ( -7.402 -4.162 -3.377) 9.139 38.999 ( -7.402 4.162 -3.377) 9.139 39.437 ( -14.552 -4.540 -2.503) 15.448 39.437 ( -14.552 4.540 -2.503) 15.448 ======================= Grid point 73 (39/84) ======================= q-point: (-0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( -12.691 -4.321 -6.106) 14.731 1.985 ( -12.691 4.321 -6.106) 14.731 2.123 ( -3.628 -3.379 -9.336) 10.571 2.123 ( -3.628 3.379 -9.336) 10.571 2.341 ( -1.377 -3.619 -7.103) 8.090 2.341 ( -1.377 3.619 -7.103) 8.090 2.625 ( 0.597 -2.839 -1.844) 3.438 2.625 ( 0.597 2.839 -1.844) 3.438 2.673 ( 1.194 -3.904 -0.405) 4.103 2.673 ( 1.194 3.904 -0.405) 4.103 2.764 ( -1.849 -1.927 2.458) 3.630 2.764 ( -1.849 1.927 2.458) 3.630 3.051 ( -1.623 -1.581 0.633) 2.352 3.051 ( -1.623 1.581 0.633) 2.352 3.349 ( 6.429 -4.656 -1.783) 8.136 3.349 ( 6.429 4.656 -1.783) 8.136 3.561 ( 0.366 -4.232 3.319) 5.391 3.561 ( 0.366 4.232 3.319) 5.391 3.791 ( 4.391 -4.192 6.985) 9.255 3.791 ( 4.391 4.192 6.985) 9.255 3.991 ( -3.923 -3.167 -1.616) 5.294 3.991 ( -3.923 3.167 -1.616) 5.294 4.229 ( -2.648 -6.895 2.380) 7.760 4.229 ( -2.648 6.895 2.380) 7.760 4.335 ( 2.618 -5.022 3.396) 6.604 4.335 ( 2.618 5.022 3.396) 6.604 4.597 ( -2.995 -2.832 -2.122) 4.636 4.597 ( -2.995 2.832 -2.122) 4.636 4.885 ( -2.983 -4.098 2.741) 5.762 4.885 ( -2.983 4.098 2.741) 5.762 4.986 ( -0.723 -0.683 4.107) 4.225 4.986 ( -0.723 0.683 4.107) 4.225 5.212 ( -2.447 -1.451 -2.331) 3.677 5.212 ( -2.447 1.451 -2.331) 3.677 5.392 ( -2.795 -1.411 -0.191) 3.136 5.392 ( -2.795 1.411 -0.191) 3.136 5.536 ( 2.514 -1.943 3.045) 4.401 5.536 ( 2.514 1.943 3.045) 4.401 5.596 ( -0.397 -2.285 4.231) 4.825 5.596 ( -0.397 2.285 4.231) 4.825 5.835 ( -3.355 -0.623 -3.827) 5.127 5.835 ( -3.355 0.623 -3.827) 5.127 5.972 ( 1.341 -8.157 -3.638) 9.032 5.972 ( 1.341 8.157 -3.638) 9.032 6.095 ( -4.834 -8.641 -4.472) 10.864 6.095 ( -4.834 8.641 -4.472) 10.864 6.277 ( -2.598 -1.951 10.035) 10.547 6.277 ( -2.598 1.951 10.035) 10.547 6.556 ( 1.549 -2.903 -1.893) 3.796 6.556 ( 1.549 2.903 -1.893) 3.796 6.697 ( 3.469 -1.824 0.818) 4.004 6.697 ( 3.469 1.824 0.818) 4.004 6.796 ( 0.529 -2.381 3.533) 4.293 6.796 ( 0.529 2.381 3.533) 4.293 7.077 ( -8.379 -3.875 1.589) 9.368 7.077 ( -8.379 3.875 1.589) 9.368 7.248 ( -4.662 -1.433 -3.757) 6.157 7.248 ( -4.662 1.433 -3.757) 6.157 7.349 ( -4.029 -1.291 -5.179) 6.687 7.349 ( -4.029 1.291 -5.179) 6.687 7.428 ( -5.753 -3.213 3.718) 7.566 7.428 ( -5.753 3.213 3.718) 7.566 7.574 ( -0.950 -5.036 -1.142) 5.250 7.574 ( -0.950 5.036 -1.142) 5.250 7.671 ( -4.023 -2.933 -0.595) 5.014 7.671 ( -4.023 2.933 -0.595) 5.014 7.766 ( -1.314 -5.023 -4.998) 7.207 7.766 ( -1.314 5.023 -4.998) 7.207 7.979 ( -1.456 -2.827 0.990) 3.330 7.979 ( -1.456 2.827 0.990) 3.330 8.076 ( -3.142 -2.014 -1.045) 3.875 8.076 ( -3.142 2.014 -1.045) 3.875 8.161 ( -1.375 -2.428 3.396) 4.396 8.161 ( -1.375 2.428 3.396) 4.396 8.268 ( 1.958 -1.662 -0.829) 2.699 8.268 ( 1.958 1.662 -0.829) 2.699 8.384 ( 3.199 -1.365 3.230) 4.747 8.384 ( 3.199 1.365 3.230) 4.747 8.499 ( -0.977 -1.103 3.209) 3.531 8.499 ( -0.977 1.103 3.209) 3.531 8.571 ( 6.282 -2.578 1.246) 6.904 8.571 ( 6.282 2.578 1.246) 6.904 8.644 ( 0.099 -4.183 4.738) 6.321 8.644 ( 0.099 4.183 4.738) 6.321 8.717 ( -1.113 -1.830 -1.471) 2.598 8.717 ( -1.113 1.830 -1.471) 2.598 8.968 ( 1.837 -3.139 2.102) 4.201 8.968 ( 1.837 3.139 2.102) 4.201 9.056 ( -1.912 -5.448 -0.482) 5.794 9.056 ( -1.912 5.448 -0.482) 5.794 9.203 ( 1.523 -2.846 -2.613) 4.153 9.203 ( 1.523 2.846 -2.613) 4.153 9.323 ( 3.439 -5.194 1.530) 6.415 9.323 ( 3.439 5.194 1.530) 6.415 9.397 ( 3.053 -0.530 -2.240) 3.823 9.397 ( 3.053 0.530 -2.240) 3.823 9.490 ( 2.910 -2.476 3.970) 5.510 9.490 ( 2.910 2.476 3.970) 5.510 9.706 ( -1.505 -2.509 0.572) 2.981 9.706 ( -1.505 2.509 0.572) 2.981 9.847 ( 5.592 -2.678 1.403) 6.357 9.847 ( 5.592 2.678 1.403) 6.357 9.981 ( -0.740 -5.857 -4.950) 7.704 9.981 ( -0.740 5.857 -4.950) 7.704 10.141 ( 8.596 -2.276 -1.393) 9.000 10.141 ( 8.596 2.276 -1.393) 9.000 10.470 ( 1.842 -5.686 4.772) 7.648 10.470 ( 1.842 5.686 4.772) 7.648 10.650 ( 1.398 -3.000 -9.604) 10.159 10.650 ( 1.398 3.000 -9.604) 10.159 11.165 ( 0.715 -10.062 -6.391) 11.942 11.165 ( 0.715 10.062 -6.391) 11.942 11.303 ( 5.742 -5.819 6.731) 10.589 11.303 ( 5.742 5.819 6.731) 10.589 11.823 ( -3.789 -2.982 -6.899) 8.417 11.823 ( -3.789 2.982 -6.899) 8.417 12.614 ( 0.189 -0.365 6.075) 6.089 12.614 ( 0.189 0.365 6.075) 6.089 12.963 ( 1.235 -7.876 -0.362) 7.980 12.963 ( 1.235 7.876 -0.362) 7.980 13.875 ( -1.936 -4.199 0.480) 4.649 13.875 ( -1.936 4.199 0.480) 4.649 14.066 ( 2.904 -5.668 1.892) 6.643 14.066 ( 2.904 5.668 1.892) 6.643 14.500 ( -1.784 -3.438 -2.700) 4.721 14.500 ( -1.784 3.438 -2.700) 4.721 14.723 ( 3.191 -3.394 -3.550) 5.857 14.723 ( 3.191 3.394 -3.550) 5.857 16.213 ( -0.607 -0.591 2.812) 2.937 16.213 ( -0.607 0.591 2.812) 2.937 16.684 ( 1.035 -0.674 -3.081) 3.319 16.684 ( 1.035 0.674 -3.081) 3.319 17.038 ( 0.792 -1.328 -1.191) 1.952 17.038 ( 0.792 1.328 -1.191) 1.952 17.233 ( -0.430 -1.748 2.835) 3.358 17.233 ( -0.430 1.748 2.835) 3.358 17.348 ( -0.928 -1.719 1.608) 2.530 17.348 ( -0.928 1.719 1.608) 2.530 17.496 ( -2.411 -2.148 -0.919) 3.357 17.496 ( -2.411 2.148 -0.919) 3.357 17.550 ( 1.369 -2.190 -4.429) 5.127 17.550 ( 1.369 2.190 -4.429) 5.127 17.726 ( 1.864 -3.009 5.392) 6.450 17.726 ( 1.864 3.009 5.392) 6.450 17.804 ( 1.464 -2.082 -0.078) 2.546 17.804 ( 1.464 2.082 -0.078) 2.546 17.986 ( 0.336 -2.677 -1.279) 2.985 17.986 ( 0.336 2.677 -1.279) 2.985 18.131 ( -2.057 -6.349 -1.908) 6.941 18.131 ( -2.057 6.349 -1.908) 6.941 18.260 ( 1.557 -1.275 -2.853) 3.492 18.260 ( 1.557 1.275 -2.853) 3.492 18.490 ( -2.856 -3.926 4.830) 6.849 18.490 ( -2.856 3.926 4.830) 6.849 18.719 ( -0.557 -0.808 -0.166) 0.996 18.719 ( -0.557 0.808 -0.166) 0.996 21.220 ( -16.583 -0.748 -0.519) 16.608 21.220 ( -16.583 0.748 -0.519) 16.608 21.246 ( -17.370 -0.217 -1.803) 17.465 21.246 ( -17.370 0.217 -1.803) 17.465 21.501 ( 8.315 -3.423 1.462) 9.110 21.501 ( 8.315 3.423 1.462) 9.110 21.680 ( 11.575 -0.770 -6.086) 13.100 21.680 ( 11.575 0.770 -6.086) 13.100 21.782 ( 9.976 -3.248 5.647) 11.915 21.782 ( 9.976 3.248 5.647) 11.915 21.867 ( -3.840 -7.318 5.421) 9.884 21.867 ( -3.840 7.318 5.421) 9.884 26.941 ( -0.443 -0.500 0.554) 0.868 26.941 ( -0.443 0.500 0.554) 0.868 27.042 ( 0.175 -0.157 -0.670) 0.710 27.042 ( 0.175 0.157 -0.670) 0.710 27.455 ( -0.640 -0.846 1.280) 1.662 27.455 ( -0.640 0.846 1.280) 1.662 27.507 ( 0.369 -0.787 0.922) 1.267 27.507 ( 0.369 0.787 0.922) 1.267 27.734 ( 0.185 -0.627 -0.642) 0.916 27.734 ( 0.185 0.627 -0.642) 0.916 27.782 ( 0.875 -0.536 -1.386) 1.724 27.782 ( 0.875 0.536 -1.386) 1.724 36.838 ( 1.878 -0.863 -2.582) 3.307 36.838 ( 1.878 0.863 -2.582) 3.307 36.995 ( -1.914 -2.860 -1.048) 3.597 36.995 ( -1.914 2.860 -1.048) 3.597 37.243 ( -4.970 -3.871 -4.786) 7.911 37.243 ( -4.970 3.871 -4.786) 7.911 37.336 ( -3.480 -5.109 -7.999) 10.109 37.336 ( -3.480 5.109 -7.999) 10.109 37.696 ( -6.313 -2.072 8.742) 10.980 37.696 ( -6.313 2.072 8.742) 10.980 38.072 ( 0.257 -3.870 3.556) 5.262 38.072 ( 0.257 3.870 3.556) 5.262 38.198 ( -1.806 -9.737 4.346) 10.814 38.198 ( -1.806 9.737 4.346) 10.814 38.384 ( -3.607 -3.527 1.069) 5.157 38.384 ( -3.607 3.527 1.069) 5.157 38.544 ( 0.891 -10.078 0.603) 10.135 38.544 ( 0.891 10.078 0.603) 10.135 38.814 ( -1.482 -7.607 -2.982) 8.304 38.814 ( -1.482 7.607 -2.982) 8.304 39.110 ( 17.610 -4.998 0.621) 18.316 39.110 ( 17.610 4.998 0.621) 18.316 39.341 ( 10.781 -4.628 -6.663) 13.493 39.341 ( 10.781 4.628 -6.663) 13.493 ======================= Grid point 75 (40/84) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.607 ( -17.884 -5.678 -3.599) 19.106 1.607 ( -17.884 5.678 -3.599) 19.106 1.870 ( -17.149 -12.663 -6.500) 22.287 1.870 ( -17.149 12.663 -6.500) 22.287 2.300 ( 3.238 -4.289 -1.301) 5.530 2.300 ( 3.238 4.289 -1.301) 5.530 2.594 ( 0.270 -5.058 -8.292) 9.717 2.594 ( 0.270 5.058 -8.292) 9.717 2.775 ( 7.249 -2.291 1.934) 7.844 2.775 ( 7.249 2.291 1.934) 7.844 2.848 ( 4.519 -2.490 5.808) 7.769 2.848 ( 4.519 2.490 5.808) 7.769 3.027 ( 0.951 -6.385 -3.221) 7.214 3.027 ( 0.951 6.385 -3.221) 7.214 3.449 ( 3.745 -7.182 -3.422) 8.793 3.449 ( 3.745 7.182 -3.422) 8.793 3.515 ( -6.433 -9.039 3.708) 11.697 3.515 ( -6.433 9.039 3.708) 11.697 3.781 ( -12.144 -2.832 -2.615) 12.741 3.781 ( -12.144 2.832 -2.615) 12.741 3.952 ( 4.819 -4.411 3.038) 7.205 3.952 ( 4.819 4.411 3.038) 7.205 4.172 ( -5.147 -8.181 5.026) 10.894 4.172 ( -5.147 8.181 5.026) 10.894 4.394 ( -0.021 -4.375 0.220) 4.381 4.394 ( -0.021 4.375 0.220) 4.381 4.591 ( 3.299 -2.660 -0.912) 4.335 4.591 ( 3.299 2.660 -0.912) 4.335 4.812 ( -6.316 -3.389 2.821) 7.703 4.812 ( -6.316 3.389 2.821) 7.703 4.935 ( -7.944 -2.475 4.527) 9.472 4.935 ( -7.944 2.475 4.527) 9.472 5.108 ( -7.558 -1.054 0.433) 7.643 5.108 ( -7.558 1.054 0.433) 7.643 5.312 ( -3.402 -2.918 -4.240) 6.170 5.312 ( -3.402 2.918 -4.240) 6.170 5.525 ( -4.638 -3.614 2.411) 6.355 5.525 ( -4.638 3.614 2.411) 6.355 5.608 ( -1.699 -2.322 -2.592) 3.872 5.608 ( -1.699 2.322 -2.592) 3.872 5.747 ( -0.787 -7.178 -1.388) 7.353 5.747 ( -0.787 7.178 -1.388) 7.353 5.966 ( -2.693 -5.992 4.160) 7.776 5.966 ( -2.693 5.992 4.160) 7.776 6.066 ( 3.229 -9.718 -1.474) 10.346 6.066 ( 3.229 9.718 -1.474) 10.346 6.311 ( -2.113 -2.869 10.501) 11.089 6.311 ( -2.113 2.869 10.501) 11.089 6.492 ( -5.871 -4.622 -3.630) 8.307 6.492 ( -5.871 4.622 -3.630) 8.307 6.709 ( -12.125 -8.681 3.265) 15.265 6.709 ( -12.125 8.681 3.265) 15.265 6.818 ( 4.001 -4.365 1.746) 6.173 6.818 ( 4.001 4.365 1.746) 6.173 6.917 ( -4.423 -3.595 -1.426) 5.876 6.917 ( -4.423 3.595 -1.426) 5.876 7.065 ( -7.866 -3.126 -0.496) 8.479 7.065 ( -7.866 3.126 -0.496) 8.479 7.257 ( -3.108 -7.376 -4.363) 9.116 7.257 ( -3.108 7.376 -4.363) 9.116 7.385 ( -8.211 -2.215 3.535) 9.210 7.385 ( -8.211 2.215 3.535) 9.210 7.448 ( -5.095 -5.526 -4.356) 8.687 7.448 ( -5.095 5.526 -4.356) 8.687 7.576 ( -0.675 -2.458 -3.388) 4.240 7.576 ( -0.675 2.458 -3.388) 4.240 7.657 ( -5.181 -3.954 -2.249) 6.894 7.657 ( -5.181 3.954 -2.249) 6.894 7.890 ( -7.233 -2.338 3.943) 8.563 7.890 ( -7.233 2.338 3.943) 8.563 8.015 ( -3.545 -3.530 2.424) 5.559 8.015 ( -3.545 3.530 2.424) 5.559 8.203 ( -1.220 -5.387 4.320) 7.012 8.203 ( -1.220 5.387 4.320) 7.012 8.292 ( -1.894 -2.733 1.544) 3.665 8.292 ( -1.894 2.733 1.544) 3.665 8.344 ( -3.205 -2.798 -0.402) 4.274 8.344 ( -3.205 2.798 -0.402) 4.274 8.488 ( 0.856 -1.486 -3.588) 3.976 8.488 ( 0.856 1.486 -3.588) 3.976 8.641 ( 0.907 -3.114 0.345) 3.262 8.641 ( 0.907 3.114 0.345) 3.262 8.724 ( 4.165 -3.142 3.286) 6.166 8.724 ( 4.165 3.142 3.286) 6.166 8.876 ( 12.218 -4.861 0.561) 13.162 8.876 ( 12.218 4.861 0.561) 13.162 8.933 ( -3.590 -2.714 -2.517) 5.157 8.933 ( -3.590 2.714 -2.517) 5.157 9.106 ( 2.797 -1.960 6.470) 7.316 9.106 ( 2.797 1.960 6.470) 7.316 9.242 ( 3.967 -2.548 -0.854) 4.792 9.242 ( 3.967 2.548 -0.854) 4.792 9.348 ( 0.130 -2.261 -1.576) 2.760 9.348 ( 0.130 2.261 -1.576) 2.760 9.482 ( 4.684 -2.826 0.035) 5.471 9.482 ( 4.684 2.826 0.035) 5.471 9.556 ( 3.145 -1.201 1.737) 3.788 9.556 ( 3.145 1.201 1.737) 3.788 9.793 ( 6.671 -2.234 -0.286) 7.041 9.793 ( 6.671 2.234 -0.286) 7.041 9.921 ( 3.633 -4.097 -3.424) 6.458 9.921 ( 3.633 4.097 -3.424) 6.458 10.027 ( 7.945 -7.318 0.260) 10.805 10.027 ( 7.945 7.318 0.260) 10.805 10.328 ( 9.194 -2.827 1.257) 9.701 10.328 ( 9.194 2.827 1.257) 9.701 10.526 ( -1.582 -2.828 -1.171) 3.446 10.526 ( -1.582 2.828 -1.171) 3.446 10.679 ( 11.792 -2.631 -4.688) 12.960 10.679 ( 11.792 2.631 -4.688) 12.960 11.149 ( 3.383 -10.002 -6.850) 12.586 11.149 ( 3.383 10.002 -6.850) 12.586 11.512 ( 8.619 -5.564 4.615) 11.249 11.512 ( 8.619 5.564 4.615) 11.249 11.725 ( 0.068 -1.227 -3.546) 3.753 11.725 ( 0.068 1.227 -3.546) 3.753 12.639 ( -2.432 -3.294 4.742) 6.265 12.639 ( -2.432 3.294 4.742) 6.265 12.940 ( -3.401 -7.729 -2.900) 8.928 12.940 ( -3.401 7.729 -2.900) 8.928 13.895 ( 4.664 -3.386 -0.106) 5.764 13.895 ( 4.664 3.386 -0.106) 5.764 14.151 ( 4.067 -7.993 2.999) 9.457 14.151 ( 4.067 7.993 2.999) 9.457 14.455 ( -0.758 -3.102 -1.606) 3.574 14.455 ( -0.758 3.102 -1.606) 3.574 14.757 ( 3.503 -3.578 -4.479) 6.718 14.757 ( 3.503 3.578 -4.479) 6.718 16.217 ( -2.056 -1.321 4.578) 5.189 16.217 ( -2.056 1.321 4.578) 5.189 16.664 ( 0.148 -1.223 -4.398) 4.567 16.664 ( 0.148 1.223 -4.398) 4.567 17.037 ( 0.117 -1.521 -1.182) 1.930 17.037 ( 0.117 1.521 -1.182) 1.930 17.245 ( 0.232 -2.599 0.669) 2.694 17.245 ( 0.232 2.599 0.669) 2.694 17.338 ( -2.043 -2.546 2.346) 4.020 17.338 ( -2.043 2.546 2.346) 4.020 17.439 ( -1.603 -0.947 -2.416) 3.051 17.439 ( -1.603 0.947 -2.416) 3.051 17.565 ( 2.371 -0.683 -1.316) 2.796 17.565 ( 2.371 0.683 -1.316) 2.796 17.788 ( 0.940 -2.212 0.716) 2.508 17.788 ( 0.940 2.212 0.716) 2.508 17.848 ( 1.689 -1.854 5.428) 5.979 17.848 ( 1.689 1.854 5.428) 5.979 17.986 ( 0.471 -1.845 -1.101) 2.199 17.986 ( 0.471 1.845 -1.101) 2.199 18.084 ( -0.712 -4.888 -2.150) 5.387 18.084 ( -0.712 4.888 -2.150) 5.387 18.266 ( 2.166 -1.320 -4.799) 5.428 18.266 ( 2.166 1.320 -4.799) 5.428 18.474 ( -3.115 -3.500 5.741) 7.411 18.474 ( -3.115 3.500 5.741) 7.411 18.709 ( -0.339 -1.032 -0.085) 1.090 18.709 ( -0.339 1.032 -0.085) 1.090 20.856 ( -19.059 -0.495 -1.146) 19.099 20.856 ( -19.059 0.495 -1.146) 19.099 20.880 ( -19.207 -2.013 -0.384) 19.316 20.880 ( -19.207 2.013 -0.384) 19.316 21.484 ( -12.330 -15.449 4.130) 20.193 21.484 ( -12.330 15.449 4.130) 20.193 21.849 ( 9.630 -0.532 -3.393) 10.224 21.849 ( 9.630 0.532 -3.393) 10.224 21.905 ( 6.743 -2.162 0.251) 7.086 21.905 ( 6.743 2.162 0.251) 7.086 22.009 ( 6.552 -2.380 4.389) 8.237 22.009 ( 6.552 2.380 4.389) 8.237 26.936 ( -0.550 -0.578 0.550) 0.969 26.936 ( -0.550 0.578 0.550) 0.969 27.038 ( -0.107 -0.292 -0.531) 0.615 27.038 ( -0.107 0.292 -0.531) 0.615 27.457 ( -0.249 -1.372 1.296) 1.904 27.457 ( -0.249 1.372 1.296) 1.904 27.525 ( 0.649 -0.564 0.771) 1.155 27.525 ( 0.649 0.564 0.771) 1.155 27.726 ( -0.001 -0.375 -1.193) 1.251 27.726 ( -0.001 0.375 -1.193) 1.251 27.803 ( 2.088 -0.220 -0.921) 2.292 27.803 ( 2.088 0.220 -0.921) 2.292 36.819 ( -2.780 -1.938 -0.312) 3.403 36.819 ( -2.780 1.938 -0.312) 3.403 36.957 ( -0.104 -1.112 -3.372) 3.552 36.957 ( -0.104 1.112 -3.372) 3.552 37.120 ( -3.588 -1.308 -2.539) 4.585 37.120 ( -3.588 1.308 -2.539) 4.585 37.190 ( -5.243 -1.925 -5.402) 7.770 37.190 ( -5.243 1.925 -5.402) 7.770 37.597 ( -8.754 -3.059 5.920) 11.001 37.597 ( -8.754 3.059 5.920) 11.001 37.969 ( -9.882 -7.151 1.044) 12.243 37.969 ( -9.882 7.151 1.044) 12.243 38.271 ( -3.866 -4.204 3.042) 6.471 38.271 ( -3.866 4.204 3.042) 6.471 38.336 ( 3.065 -7.309 5.079) 9.413 38.336 ( 3.065 7.309 5.079) 9.413 38.595 ( 3.246 -8.012 1.225) 8.731 38.595 ( 3.246 8.012 1.225) 8.731 38.887 ( 16.728 -23.380 -7.483) 29.706 38.887 ( 16.728 23.380 -7.483) 29.706 39.499 ( 19.781 -6.883 -1.752) 21.017 39.499 ( 19.781 6.883 -1.752) 21.017 39.675 ( 24.896 -4.060 -1.941) 25.300 39.675 ( 24.896 4.060 -1.941) 25.300 ======================= Grid point 77 (41/84) ======================= q-point: (-0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -12.507 -15.151 1.492) 19.702 1.303 ( -12.507 15.151 1.492) 19.702 1.474 ( -18.102 -19.107 -0.177) 26.321 1.474 ( -18.102 19.107 -0.177) 26.321 2.342 ( -1.122 -3.739 -3.702) 5.380 2.342 ( -1.122 3.739 -3.702) 5.380 2.577 ( 1.485 -0.954 3.355) 3.791 2.577 ( 1.485 0.954 3.355) 3.791 2.809 ( -3.629 -4.726 -4.042) 7.200 2.809 ( -3.629 4.726 -4.042) 7.200 2.935 ( 3.036 -8.798 -3.300) 9.875 2.935 ( 3.036 8.798 -3.300) 9.875 3.111 ( 2.717 -4.873 3.303) 6.484 3.111 ( 2.717 4.873 3.303) 6.484 3.322 ( -0.500 -7.498 -0.931) 7.572 3.322 ( -0.500 7.498 -0.931) 7.572 3.513 ( 0.734 -8.356 -2.430) 8.733 3.513 ( 0.734 8.356 -2.430) 8.733 3.642 ( -2.260 -5.948 1.057) 6.450 3.642 ( -2.260 5.948 1.057) 6.450 4.020 ( 0.297 -0.752 2.523) 2.649 4.020 ( 0.297 0.752 2.523) 2.649 4.095 ( -5.989 -7.098 2.838) 9.711 4.095 ( -5.989 7.098 2.838) 9.711 4.387 ( -0.762 -2.563 0.039) 2.674 4.387 ( -0.762 2.563 0.039) 2.674 4.540 ( -9.586 -4.300 0.486) 10.518 4.540 ( -9.586 4.300 0.486) 10.518 4.660 ( -12.123 -0.341 -0.065) 12.128 4.660 ( -12.123 0.341 -0.065) 12.128 4.847 ( -1.626 -3.850 0.722) 4.241 4.847 ( -1.626 3.850 0.722) 4.241 4.980 ( -4.816 -1.137 1.620) 5.207 4.980 ( -4.816 1.137 1.620) 5.207 5.207 ( -4.088 -5.045 -2.865) 7.098 5.207 ( -4.088 5.045 -2.865) 7.098 5.426 ( -6.658 -0.233 0.027) 6.662 5.426 ( -6.658 0.233 0.027) 6.662 5.541 ( -2.073 -1.528 -0.719) 2.674 5.541 ( -2.073 1.528 -0.719) 2.674 5.733 ( -0.658 -2.595 -1.720) 3.182 5.733 ( -0.658 2.595 -1.720) 3.182 5.959 ( -2.439 -7.347 4.442) 8.926 5.959 ( -2.439 7.347 4.442) 8.926 6.069 ( -5.103 -4.512 2.339) 7.202 6.069 ( -5.103 4.512 2.339) 7.202 6.286 ( -5.898 -2.637 -0.542) 6.483 6.286 ( -5.898 2.637 -0.542) 6.483 6.367 ( -6.731 -3.492 4.336) 8.736 6.367 ( -6.731 3.492 4.336) 8.736 6.533 ( -6.079 -3.906 5.218) 8.913 6.533 ( -6.079 3.906 5.218) 8.913 6.723 ( -7.213 -11.014 -2.333) 13.371 6.723 ( -7.213 11.014 -2.333) 13.371 6.913 ( -2.754 -0.997 -1.277) 3.195 6.913 ( -2.754 0.997 -1.277) 3.195 6.989 ( 1.299 -5.652 -2.427) 6.287 6.989 ( 1.299 5.652 -2.427) 6.287 7.120 ( -6.929 -6.595 -4.211) 10.451 7.120 ( -6.929 6.595 -4.211) 10.451 7.228 ( -0.867 -0.592 0.404) 1.124 7.228 ( -0.867 0.592 0.404) 1.124 7.446 ( -1.441 -2.696 0.545) 3.105 7.446 ( -1.441 2.696 0.545) 3.105 7.553 ( -2.461 -2.609 2.569) 4.412 7.553 ( -2.461 2.609 2.569) 4.412 7.563 ( -1.804 -2.078 1.700) 3.235 7.563 ( -1.804 2.078 1.700) 3.235 7.805 ( -4.138 -0.294 1.272) 4.339 7.805 ( -4.138 0.294 1.272) 4.339 7.921 ( -5.543 -7.227 -1.218) 9.189 7.921 ( -5.543 7.227 -1.218) 9.189 8.149 ( -5.954 -3.499 0.703) 6.942 8.149 ( -5.954 3.499 0.703) 6.942 8.247 ( -2.243 -4.115 6.163) 7.742 8.247 ( -2.243 4.115 6.163) 7.742 8.374 ( 1.496 -3.252 1.701) 3.963 8.374 ( 1.496 3.252 1.701) 3.963 8.452 ( -0.956 -2.917 -4.016) 5.054 8.452 ( -0.956 2.917 -4.016) 5.054 8.649 ( 1.691 -2.945 -6.756) 7.562 8.649 ( 1.691 2.945 -6.756) 7.562 8.822 ( 3.025 -1.708 1.957) 3.987 8.822 ( 3.025 1.708 1.957) 3.987 8.857 ( -2.083 -1.822 2.563) 3.772 8.857 ( -2.083 1.822 2.563) 3.772 9.024 ( 2.148 -3.299 -0.817) 4.021 9.024 ( 2.148 3.299 -0.817) 4.021 9.208 ( 4.003 -6.518 1.309) 7.760 9.208 ( 4.003 6.518 1.309) 7.760 9.335 ( 4.400 -2.838 3.318) 6.199 9.335 ( 4.400 2.838 3.318) 6.199 9.381 ( 4.276 -1.747 -3.527) 5.812 9.381 ( 4.276 1.747 -3.527) 5.812 9.526 ( 0.958 -2.278 -0.494) 2.520 9.526 ( 0.958 2.278 -0.494) 2.520 9.667 ( 6.924 -4.104 -1.450) 8.178 9.667 ( 6.924 4.104 -1.450) 8.178 9.848 ( 0.527 -1.457 2.166) 2.663 9.848 ( 0.527 1.457 2.166) 2.663 9.981 ( 5.148 -6.375 -5.844) 10.064 9.981 ( 5.148 6.375 -5.844) 10.064 10.255 ( 6.753 -4.905 6.753) 10.736 10.255 ( 6.753 4.905 6.753) 10.736 10.377 ( 4.852 -2.680 -8.547) 10.187 10.377 ( 4.852 2.680 -8.547) 10.187 10.607 ( 6.900 -3.311 9.175) 11.948 10.607 ( 6.900 3.311 9.175) 11.948 10.920 ( 13.344 -2.494 -1.862) 13.702 10.920 ( 13.344 2.494 -1.862) 13.702 11.171 ( 4.787 -8.299 -7.952) 12.450 11.171 ( 4.787 8.299 -7.952) 12.450 11.585 ( 2.126 -3.831 -4.323) 6.155 11.585 ( 2.126 3.831 -4.323) 6.155 11.863 ( 8.570 -11.903 6.712) 16.131 11.863 ( 8.570 11.903 6.712) 16.131 12.577 ( -6.400 -6.059 -1.613) 8.959 12.577 ( -6.400 6.059 -1.613) 8.959 12.796 ( -8.102 -7.544 -0.234) 11.073 12.796 ( -8.102 7.544 -0.234) 11.073 14.040 ( 9.563 -4.716 -1.995) 10.847 14.040 ( 9.563 4.716 -1.995) 10.847 14.294 ( 9.181 -7.834 2.115) 12.253 14.294 ( 9.181 7.834 2.115) 12.253 14.446 ( 0.500 -1.817 0.556) 1.965 14.446 ( 0.500 1.817 0.556) 1.965 14.785 ( 3.359 -3.030 -4.512) 6.390 14.785 ( 3.359 3.030 -4.512) 6.390 16.210 ( -3.090 -1.264 6.024) 6.887 16.210 ( -3.090 1.264 6.024) 6.887 16.626 ( 0.858 -1.525 -6.401) 6.636 16.626 ( 0.858 1.525 -6.401) 6.636 17.025 ( -0.143 -1.834 -1.382) 2.301 17.025 ( -0.143 1.834 -1.382) 2.301 17.246 ( 1.245 -1.568 -5.600) 5.947 17.246 ( 1.245 1.568 -5.600) 5.947 17.311 ( -2.302 -1.864 2.807) 4.081 17.311 ( -2.302 1.864 2.807) 4.081 17.412 ( -0.634 -2.074 1.693) 2.751 17.412 ( -0.634 2.074 1.693) 2.751 17.609 ( 2.229 -0.545 0.446) 2.338 17.609 ( 2.229 0.545 0.446) 2.338 17.786 ( -0.194 -1.815 -1.488) 2.355 17.786 ( -0.194 1.815 -1.488) 2.355 17.941 ( 2.167 -2.594 6.168) 7.034 17.941 ( 2.167 2.594 6.168) 7.034 17.983 ( -0.103 -1.059 0.201) 1.082 17.983 ( -0.103 1.059 0.201) 1.082 18.076 ( 1.442 -3.278 -1.690) 3.960 18.076 ( 1.442 3.278 -1.690) 3.960 18.262 ( 1.821 -1.718 -5.226) 5.795 18.262 ( 1.821 1.718 -5.226) 5.795 18.473 ( -2.178 -3.715 7.056) 8.266 18.473 ( -2.178 3.715 7.056) 8.266 18.706 ( -0.062 -1.934 0.467) 1.990 18.706 ( -0.062 1.934 0.467) 1.990 20.497 ( -16.679 -0.597 -0.459) 16.696 20.497 ( -16.679 0.597 -0.459) 16.696 20.522 ( -16.900 -1.806 -0.107) 16.997 20.522 ( -16.900 1.806 -0.107) 16.997 21.139 ( -25.097 -22.846 -0.214) 33.938 21.139 ( -25.097 22.846 -0.214) 33.938 21.987 ( 6.620 -0.531 -1.659) 6.846 21.987 ( 6.620 0.531 -1.659) 6.846 22.032 ( 5.798 -0.637 -0.431) 5.849 22.032 ( 5.798 0.637 -0.431) 5.849 22.129 ( 3.064 -1.560 2.531) 4.269 22.129 ( 3.064 1.560 2.531) 4.269 26.929 ( -0.598 -0.561 0.605) 1.019 26.929 ( -0.598 0.561 0.605) 1.019 27.031 ( -0.207 -0.204 -0.250) 0.384 27.031 ( -0.207 0.204 -0.250) 0.384 27.465 ( 0.021 -1.796 1.256) 2.192 27.465 ( 0.021 1.796 1.256) 2.192 27.545 ( 0.869 -0.203 0.626) 1.090 27.545 ( 0.869 0.203 0.626) 1.090 27.718 ( 0.319 -1.090 -1.592) 1.956 27.718 ( 0.319 1.090 -1.592) 1.956 27.842 ( 2.432 -0.263 -0.434) 2.485 27.842 ( 2.432 0.263 -0.434) 2.485 36.736 ( -3.629 -3.448 -3.186) 5.934 36.736 ( -3.629 3.448 -3.186) 5.934 36.943 ( -0.294 -0.521 1.071) 1.227 36.943 ( -0.294 0.521 1.071) 1.227 37.063 ( -4.512 -1.568 -1.369) 4.969 37.063 ( -4.512 1.568 -1.369) 4.969 37.073 ( -1.398 -2.419 1.221) 3.049 37.073 ( -1.398 2.419 1.221) 3.049 37.475 ( -8.002 -1.970 4.099) 9.204 37.475 ( -8.002 1.970 4.099) 9.204 37.821 ( -5.461 -4.740 1.449) 7.375 37.821 ( -5.461 4.740 1.449) 7.375 38.124 ( -7.726 -3.966 -0.106) 8.685 38.124 ( -7.726 3.966 -0.106) 8.685 38.504 ( 5.699 -19.594 4.313) 20.856 38.504 ( 5.699 19.594 4.313) 20.856 38.671 ( 4.407 -10.749 -2.161) 11.817 38.671 ( 4.407 10.749 -2.161) 11.817 39.358 ( 36.525 -33.943 -3.460) 49.982 39.358 ( 36.525 33.943 -3.460) 49.982 39.839 ( 17.667 -5.414 -2.411) 18.635 39.839 ( 17.667 5.414 -2.411) 18.635 40.160 ( 23.698 -3.567 1.603) 24.019 40.160 ( 23.698 3.567 1.603) 24.019 ======================= Grid point 79 (42/84) ======================= q-point: (-0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.094 ( -5.671 -28.040 -7.603) 29.601 1.094 ( -5.671 28.040 -7.603) 29.601 1.270 ( -9.602 -22.129 12.047) 26.963 1.270 ( -9.602 22.129 12.047) 26.963 2.231 ( -7.000 -23.009 6.584) 24.935 2.231 ( -7.000 23.009 6.584) 24.935 2.489 ( -9.955 -1.948 0.846) 10.179 2.489 ( -9.955 1.948 0.846) 10.179 2.820 ( 5.520 -14.183 0.184) 15.221 2.820 ( 5.520 14.183 0.184) 15.221 2.954 ( 3.026 -10.621 -7.832) 13.539 2.954 ( 3.026 10.621 -7.832) 13.539 3.154 ( 3.994 -5.300 -0.685) 6.672 3.154 ( 3.994 5.300 -0.685) 6.672 3.396 ( 1.675 -3.621 1.045) 4.124 3.396 ( 1.675 3.621 1.045) 4.124 3.547 ( 3.532 -6.113 -5.450) 8.919 3.547 ( 3.532 6.113 -5.450) 8.919 3.639 ( 2.209 -9.120 4.951) 10.610 3.639 ( 2.209 9.120 4.951) 10.610 3.963 ( -7.565 -1.760 3.342) 8.455 3.963 ( -7.565 1.760 3.342) 8.455 4.040 ( -4.432 -2.026 1.763) 5.182 4.040 ( -4.432 2.026 1.763) 5.182 4.285 ( -9.582 -2.011 0.084) 9.791 4.285 ( -9.582 2.011 0.084) 9.791 4.378 ( -6.409 -3.951 0.093) 7.529 4.378 ( -6.409 3.951 0.093) 7.529 4.466 ( -2.480 -1.103 1.471) 3.087 4.466 ( -2.480 1.103 1.471) 3.087 4.804 ( -3.095 -3.750 -1.064) 4.977 4.804 ( -3.095 3.750 -1.064) 4.977 4.954 ( -1.287 -0.377 2.948) 3.239 4.954 ( -1.287 0.377 2.948) 3.239 5.096 ( -5.448 -5.915 -2.261) 8.354 5.096 ( -5.448 5.915 -2.261) 8.354 5.304 ( -4.260 -4.106 -1.698) 6.156 5.304 ( -4.260 4.106 -1.698) 6.156 5.516 ( -0.519 -2.665 1.229) 2.980 5.516 ( -0.519 2.665 1.229) 2.980 5.679 ( -3.015 -0.792 -2.087) 3.751 5.679 ( -3.015 0.792 -2.087) 3.751 5.906 ( -6.699 -2.512 1.154) 7.247 5.906 ( -6.699 2.512 1.154) 7.247 5.972 ( -3.570 -7.048 3.787) 8.761 5.972 ( -3.570 7.048 3.787) 8.761 6.141 ( -10.405 -4.341 3.633) 11.845 6.141 ( -10.405 4.341 3.633) 11.845 6.283 ( 0.844 -3.900 -3.798) 5.508 6.283 ( 0.844 3.900 -3.798) 5.508 6.472 ( -6.168 -4.565 -1.696) 7.859 6.472 ( -6.168 4.565 -1.696) 7.859 6.660 ( 0.473 -8.155 4.547) 9.349 6.660 ( 0.473 8.155 4.547) 9.349 6.824 ( -1.898 -5.034 -6.153) 8.173 6.824 ( -1.898 5.034 -6.153) 8.173 6.976 ( -2.906 -2.219 -0.962) 3.780 6.976 ( -2.906 2.219 -0.962) 3.780 7.022 ( 1.485 -10.204 -0.992) 10.359 7.022 ( 1.485 10.204 -0.992) 10.359 7.270 ( 0.134 -4.699 -0.785) 4.766 7.270 ( 0.134 4.699 -0.785) 4.766 7.367 ( -2.522 -0.612 2.594) 3.670 7.367 ( -2.522 0.612 2.594) 3.670 7.528 ( -3.231 -4.055 0.826) 5.251 7.528 ( -3.231 4.055 0.826) 5.251 7.602 ( -0.307 -10.474 6.111) 12.130 7.602 ( -0.307 10.474 6.111) 12.130 7.728 ( -0.199 -0.941 -4.701) 4.799 7.728 ( -0.199 0.941 -4.701) 4.799 7.857 ( -0.814 -3.267 0.473) 3.400 7.857 ( -0.814 3.267 0.473) 3.400 8.050 ( -4.771 -3.968 1.203) 6.321 8.050 ( -4.771 3.968 1.203) 6.321 8.238 ( -5.846 -4.778 3.880) 8.489 8.238 ( -5.846 4.778 3.880) 8.489 8.314 ( -2.117 -4.712 -0.655) 5.207 8.314 ( -2.117 4.712 -0.655) 5.207 8.501 ( 3.849 -0.881 0.762) 4.021 8.501 ( 3.849 0.881 0.762) 4.021 8.613 ( 2.147 -5.699 -9.300) 11.117 8.613 ( 2.147 5.699 -9.300) 11.117 8.810 ( -2.191 -2.004 2.674) 3.996 8.810 ( -2.191 2.004 2.674) 3.996 8.915 ( 0.956 -6.186 1.833) 6.522 8.915 ( 0.956 6.186 1.833) 6.522 9.031 ( 0.758 -2.553 -1.051) 2.863 9.031 ( 0.758 2.553 -1.051) 2.863 9.254 ( 1.113 -6.042 -2.404) 6.598 9.254 ( 1.113 6.042 -2.404) 6.598 9.369 ( 0.884 -3.287 -9.626) 10.210 9.369 ( 0.884 3.287 -9.626) 10.210 9.439 ( 3.144 -2.254 3.724) 5.370 9.439 ( 3.144 2.254 3.724) 5.370 9.562 ( 1.545 -5.365 2.436) 6.091 9.562 ( 1.545 5.365 2.436) 6.091 9.774 ( 4.879 -2.251 -1.196) 5.505 9.774 ( 4.879 2.251 -1.196) 5.505 9.872 ( 0.712 -1.583 -0.815) 1.917 9.872 ( 0.712 1.583 -0.815) 1.917 10.027 ( 2.964 -3.667 -0.741) 4.773 10.027 ( 2.964 3.667 -0.741) 4.773 10.240 ( -1.702 -4.711 -0.551) 5.039 10.240 ( -1.702 4.711 -0.551) 5.039 10.587 ( 8.546 -10.035 3.118) 13.544 10.587 ( 8.546 10.035 3.118) 13.544 10.840 ( 6.011 -6.047 13.063) 15.599 10.840 ( 6.011 6.047 13.063) 15.599 11.083 ( 3.981 -1.761 -3.367) 5.503 11.083 ( 3.981 1.761 -3.367) 5.503 11.234 ( 8.953 -6.459 -3.989) 11.739 11.234 ( 8.953 6.459 -3.989) 11.739 11.637 ( 6.600 -9.870 -1.974) 12.036 11.637 ( 6.600 9.870 -1.974) 12.036 12.025 ( 2.520 -9.396 3.731) 10.419 12.025 ( 2.520 9.396 3.731) 10.419 12.382 ( -8.796 -2.953 -1.991) 9.490 12.382 ( -8.796 2.953 -1.991) 9.490 12.679 ( -5.364 -6.019 2.000) 8.306 12.679 ( -5.364 6.019 2.000) 8.306 14.167 ( 5.021 -4.785 -2.978) 7.548 14.167 ( 5.021 4.785 -2.978) 7.548 14.428 ( 1.258 -2.478 0.522) 2.827 14.428 ( 1.258 2.478 0.522) 2.827 14.573 ( 13.106 -4.671 -3.192) 14.275 14.573 ( 13.106 4.671 -3.192) 14.275 14.822 ( 3.893 -4.172 -3.645) 6.771 14.822 ( 3.893 4.172 -3.645) 6.771 16.192 ( -3.949 -1.678 5.465) 6.948 16.192 ( -3.949 1.678 5.465) 6.948 16.603 ( 3.224 -2.475 -8.679) 9.583 16.603 ( 3.224 2.475 -8.679) 9.583 17.015 ( 0.185 -2.341 -1.035) 2.566 17.015 ( 0.185 2.341 -1.035) 2.566 17.198 ( 0.632 -1.941 -8.266) 8.514 17.198 ( 0.632 1.941 -8.266) 8.514 17.306 ( -0.759 -2.542 2.020) 3.335 17.306 ( -0.759 2.542 2.020) 3.335 17.441 ( 0.835 -1.741 4.103) 4.534 17.441 ( 0.835 1.741 4.103) 4.534 17.647 ( 1.257 -0.819 0.132) 1.505 17.647 ( 1.257 0.819 0.132) 1.505 17.775 ( 0.477 -0.993 -1.227) 1.649 17.775 ( 0.477 0.993 -1.227) 1.649 17.963 ( -0.169 -1.774 -1.852) 2.570 17.963 ( -0.169 1.774 -1.852) 2.570 18.044 ( 0.948 -2.548 7.338) 7.826 18.044 ( 0.948 2.548 7.338) 7.826 18.105 ( 2.915 -2.592 -1.693) 4.252 18.105 ( 2.915 2.592 -1.693) 4.252 18.258 ( 1.367 -2.360 -2.560) 3.740 18.258 ( 1.367 2.360 -2.560) 3.740 18.513 ( -0.245 -4.709 8.320) 9.563 18.513 ( -0.245 4.709 8.320) 9.563 18.715 ( 0.157 -2.993 1.399) 3.308 18.715 ( 0.157 2.993 1.399) 3.308 20.229 ( -10.118 -0.128 -0.317) 10.124 20.229 ( -10.118 0.128 -0.317) 10.124 20.255 ( -10.059 -0.627 0.180) 10.080 20.255 ( -10.059 0.627 0.180) 10.080 20.536 ( -32.007 -14.359 -3.820) 35.288 20.536 ( -32.007 14.359 -3.820) 35.288 22.076 ( 3.543 -0.492 -0.548) 3.618 22.076 ( 3.543 0.492 -0.548) 3.618 22.114 ( 3.054 -0.324 -0.495) 3.110 22.114 ( 3.054 0.324 -0.495) 3.110 22.178 ( 0.573 -0.785 1.368) 1.678 22.178 ( 0.573 0.785 1.368) 1.678 26.924 ( -0.444 -0.764 0.775) 1.175 26.924 ( -0.444 0.764 0.775) 1.175 27.027 ( -0.163 -0.144 0.033) 0.220 27.027 ( -0.163 0.144 0.033) 0.220 27.477 ( 0.021 -1.827 1.294) 2.239 27.477 ( 0.021 1.827 1.294) 2.239 27.567 ( 0.759 -0.073 0.721) 1.050 27.567 ( 0.759 0.073 0.721) 1.050 27.713 ( 0.570 -1.652 -1.777) 2.493 27.713 ( 0.570 1.652 -1.777) 2.493 27.885 ( 2.014 -0.524 -0.009) 2.081 27.885 ( 2.014 0.524 -0.009) 2.081 36.653 ( -1.439 -3.548 -4.230) 5.705 36.653 ( -1.439 3.548 -4.230) 5.705 36.935 ( -2.603 -0.737 2.752) 3.860 36.935 ( -2.603 0.737 2.752) 3.860 37.008 ( -0.910 -3.020 1.031) 3.318 37.008 ( -0.910 3.020 1.031) 3.318 37.091 ( 0.167 -1.778 6.522) 6.762 37.091 ( 0.167 1.778 6.522) 6.762 37.364 ( -5.460 -2.294 1.391) 6.083 37.364 ( -5.460 2.294 1.391) 6.083 37.787 ( -1.617 -3.904 5.628) 7.038 37.787 ( -1.617 3.904 5.628) 7.038 38.006 ( -4.007 -4.699 -0.562) 6.201 38.006 ( -4.007 4.699 -0.562) 6.201 38.593 ( 1.821 -23.477 -1.159) 23.576 38.593 ( 1.821 23.477 -1.159) 23.576 38.711 ( 3.159 -12.522 -6.199) 14.326 38.711 ( 3.159 12.522 -6.199) 14.326 40.009 ( 16.558 -8.461 2.068) 18.709 40.009 ( 16.558 8.461 2.068) 18.709 40.242 ( 31.024 -16.143 -5.651) 35.426 40.242 ( 31.024 16.143 -5.651) 35.426 40.623 ( 24.752 -7.610 4.319) 26.253 40.623 ( 24.752 7.610 4.319) 26.253 ======================= Grid point 90 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( -2.516 0.000 20.899) 21.050 1.039 ( -1.376 0.000 22.801) 22.842 1.727 ( 3.476 0.000 -11.358) 11.878 1.763 ( 6.418 0.000 -7.181) 9.631 1.957 ( 1.946 0.000 -15.887) 16.006 2.035 ( 1.238 0.000 4.707) 4.867 2.301 ( 0.856 0.000 16.905) 16.926 2.313 ( -2.554 0.000 -1.043) 2.759 2.409 ( 7.569 0.000 24.883) 26.009 2.742 ( -4.919 0.000 -10.481) 11.578 2.904 ( -4.813 0.000 -0.998) 4.915 3.044 ( -2.782 0.000 -2.517) 3.751 3.103 ( 4.145 0.000 1.544) 4.424 3.302 ( 8.886 0.000 2.069) 9.124 3.382 ( 1.474 0.000 0.709) 1.636 3.411 ( -8.389 0.000 -8.384) 11.860 3.610 ( -2.031 0.000 -4.251) 4.711 3.677 ( 7.616 0.000 0.386) 7.626 3.775 ( -9.423 0.000 -2.854) 9.846 3.814 ( 2.404 0.000 -6.426) 6.861 3.846 ( 7.813 0.000 -2.773) 8.290 3.905 ( 3.328 0.000 8.413) 9.047 4.055 ( -12.306 0.000 4.201) 13.003 4.065 ( -3.697 0.000 -7.145) 8.045 4.190 ( -0.279 0.000 7.300) 7.306 4.201 ( -0.301 0.000 1.918) 1.941 4.409 ( 4.017 0.000 6.458) 7.606 4.463 ( 3.039 0.000 -0.437) 3.070 4.517 ( -2.309 0.000 4.477) 5.037 4.546 ( -3.780 0.000 -1.692) 4.141 4.711 ( 7.284 0.000 -5.597) 9.186 4.809 ( 0.568 0.000 2.217) 2.289 4.957 ( -1.237 0.000 2.856) 3.113 4.972 ( -5.124 0.000 6.414) 8.209 4.985 ( -1.900 0.000 -0.677) 2.017 5.136 ( -1.707 0.000 2.498) 3.025 5.143 ( -1.491 0.000 -7.102) 7.257 5.378 ( 4.546 0.000 6.639) 8.047 5.520 ( 0.160 0.000 -3.653) 3.656 5.546 ( 1.803 0.000 2.971) 3.475 5.639 ( -4.796 0.000 -0.209) 4.801 5.734 ( 0.063 0.000 -0.515) 0.519 5.768 ( -4.602 0.000 2.583) 5.278 5.781 ( -0.191 0.000 1.975) 1.984 5.913 ( -2.106 0.000 0.703) 2.220 5.930 ( 4.089 0.000 0.095) 4.090 6.059 ( 3.396 0.000 -10.193) 10.744 6.166 ( 4.248 0.000 -2.374) 4.866 6.181 ( -1.109 0.000 -0.755) 1.341 6.233 ( -5.182 0.000 -1.805) 5.487 6.317 ( 0.779 0.000 0.281) 0.828 6.362 ( -1.544 0.000 10.570) 10.682 6.448 ( -4.070 0.000 4.690) 6.210 6.554 ( -1.183 0.000 -6.722) 6.825 6.801 ( 0.927 0.000 -9.519) 9.564 6.942 ( 2.969 0.000 1.217) 3.209 6.947 ( 6.686 0.000 4.952) 8.320 6.984 ( 0.909 0.000 -7.964) 8.015 7.037 ( 6.897 0.000 3.632) 7.795 7.154 ( -2.010 0.000 -3.502) 4.038 7.181 ( -8.269 0.000 -6.034) 10.236 7.226 ( -0.469 0.000 -5.590) 5.610 7.311 ( -3.675 0.000 -0.647) 3.731 7.388 ( -3.305 0.000 3.458) 4.783 7.441 ( -0.868 0.000 2.368) 2.522 7.468 ( -0.294 0.000 0.054) 0.299 7.572 ( 0.748 0.000 2.434) 2.546 7.611 ( -2.499 0.000 4.330) 4.999 7.791 ( -2.635 0.000 5.154) 5.788 7.887 ( 2.846 0.000 -1.015) 3.022 7.932 ( -0.501 0.000 4.423) 4.452 7.964 ( -3.259 0.000 3.006) 4.433 8.016 ( 1.303 0.000 8.221) 8.324 8.080 ( 3.397 0.000 -11.353) 11.850 8.105 ( -2.719 0.000 -0.447) 2.755 8.206 ( -2.407 0.000 -2.220) 3.274 8.268 ( 0.010 0.000 -1.885) 1.885 8.281 ( 0.904 0.000 -1.820) 2.032 8.488 ( 4.061 0.000 0.915) 4.163 8.505 ( -1.989 0.000 4.994) 5.376 8.564 ( 2.300 0.000 -0.438) 2.341 8.672 ( -1.669 0.000 3.246) 3.649 8.674 ( -1.479 0.000 -1.812) 2.339 8.752 ( 0.956 0.000 -7.782) 7.841 8.851 ( -0.935 0.000 -10.275) 10.318 8.930 ( -1.911 0.000 -0.049) 1.912 9.018 ( 3.966 0.000 5.064) 6.432 9.116 ( -0.051 0.000 1.681) 1.682 9.156 ( -2.557 0.000 0.288) 2.573 9.181 ( -0.511 0.000 -4.002) 4.035 9.230 ( 0.132 0.000 -5.699) 5.700 9.265 ( 0.460 0.000 -6.765) 6.781 9.353 ( 1.598 0.000 -3.401) 3.758 9.374 ( -0.809 0.000 0.643) 1.034 9.605 ( 1.271 0.000 -0.914) 1.565 9.667 ( 0.193 0.000 -1.922) 1.932 9.678 ( 2.576 0.000 2.188) 3.380 9.752 ( -1.167 0.000 -0.167) 1.179 9.916 ( -1.170 0.000 5.126) 5.258 9.972 ( 2.358 0.000 3.828) 4.496 10.059 ( 1.272 0.000 -0.598) 1.406 10.086 ( -0.454 0.000 -1.802) 1.859 10.172 ( 0.973 0.000 8.629) 8.684 10.397 ( 0.591 0.000 -3.234) 3.287 10.569 ( 4.117 0.000 7.624) 8.665 10.740 ( -8.787 0.000 -0.568) 8.805 10.931 ( 5.848 0.000 -7.240) 9.307 10.963 ( -3.251 0.000 -6.281) 7.073 11.114 ( -1.557 0.000 1.659) 2.275 11.205 ( 0.733 0.000 -1.709) 1.859 11.258 ( 3.726 0.000 1.280) 3.940 11.415 ( 6.893 0.000 -4.208) 8.076 11.774 ( -8.026 0.000 9.631) 12.537 11.993 ( -9.147 0.000 3.339) 9.738 12.039 ( -2.530 0.000 0.834) 2.664 12.282 ( 11.465 0.000 6.404) 13.132 12.326 ( 1.562 0.000 -7.745) 7.901 12.443 ( -3.456 0.000 -2.672) 4.369 12.724 ( -13.490 0.000 4.027) 14.078 12.893 ( 26.945 0.000 -3.609) 27.186 13.773 ( -1.936 0.000 10.036) 10.221 14.235 ( 0.909 0.000 -9.486) 9.529 14.347 ( 2.844 0.000 3.116) 4.219 14.436 ( -4.368 0.000 -4.044) 5.953 14.455 ( -2.720 0.000 0.652) 2.797 14.571 ( 2.085 0.000 -5.408) 5.796 14.687 ( -0.916 0.000 5.689) 5.763 14.871 ( 2.726 0.000 -3.116) 4.140 16.080 ( -3.162 0.000 -1.637) 3.561 16.264 ( 3.348 0.000 -10.485) 11.006 16.343 ( -5.621 0.000 -4.098) 6.956 16.420 ( 4.585 0.000 -7.542) 8.826 16.929 ( 1.403 0.000 -2.131) 2.551 16.930 ( -0.765 0.000 2.661) 2.769 17.069 ( -1.560 0.000 -2.078) 2.598 17.197 ( 3.419 0.000 -5.390) 6.383 17.324 ( -3.712 0.000 3.697) 5.239 17.439 ( -0.128 0.000 -2.641) 2.644 17.457 ( 0.444 0.000 3.139) 3.170 17.514 ( 1.006 0.000 0.461) 1.107 17.593 ( -2.484 0.000 6.958) 7.389 17.748 ( 1.737 0.000 0.611) 1.842 17.768 ( -1.333 0.000 -0.358) 1.380 17.812 ( 3.503 0.000 -3.731) 5.117 17.858 ( 0.440 0.000 -3.014) 3.046 17.860 ( -3.357 0.000 -4.043) 5.255 17.908 ( -1.885 0.000 5.854) 6.150 18.117 ( 0.653 0.000 1.790) 1.905 18.202 ( -0.787 0.000 -0.351) 0.862 18.229 ( 2.380 0.000 1.600) 2.867 18.349 ( -0.795 0.000 3.303) 3.397 18.396 ( 0.600 0.000 3.611) 3.660 18.512 ( -2.154 0.000 3.344) 3.978 18.620 ( 1.359 0.000 -2.143) 2.538 18.864 ( -1.489 0.000 6.315) 6.488 18.896 ( -1.379 0.000 3.570) 3.827 20.107 ( 0.788 0.000 -0.353) 0.864 20.108 ( -2.162 0.000 -0.366) 2.193 20.143 ( -0.183 0.000 -0.035) 0.186 20.143 ( 0.975 0.000 -0.042) 0.976 20.168 ( 0.217 0.000 0.351) 0.412 20.168 ( -0.264 0.000 0.335) 0.427 22.112 ( 0.101 0.000 -0.167) 0.195 22.117 ( 0.851 0.000 0.268) 0.892 22.123 ( 0.521 0.000 -0.146) 0.541 22.142 ( -0.433 0.000 -0.453) 0.627 22.194 ( -0.011 0.000 0.988) 0.988 22.203 ( -1.333 0.000 0.716) 1.513 26.925 ( -0.262 0.000 1.639) 1.660 26.991 ( -0.360 0.000 1.998) 2.030 26.998 ( 0.049 0.000 -1.594) 1.595 27.033 ( 0.074 0.000 -0.012) 0.075 27.498 ( -0.772 0.000 2.975) 3.074 27.560 ( -1.231 0.000 1.791) 2.173 27.587 ( -0.023 0.000 0.794) 0.795 27.593 ( -0.669 0.000 0.028) 0.669 27.638 ( 1.773 0.000 -1.236) 2.161 27.698 ( 0.873 0.000 -2.905) 3.033 27.909 ( 0.194 0.000 0.509) 0.544 27.919 ( 0.320 0.000 -0.068) 0.327 36.514 ( 0.758 0.000 0.332) 0.828 36.602 ( 0.717 0.000 -4.383) 4.441 36.982 ( -0.670 0.000 3.983) 4.039 37.002 ( 2.307 0.000 4.963) 5.473 37.058 ( 0.816 0.000 -0.035) 0.817 37.159 ( -1.444 0.000 3.100) 3.420 37.195 ( -0.804 0.000 4.793) 4.860 37.206 ( -1.923 0.000 -3.226) 3.755 37.490 ( -0.558 0.000 6.857) 6.880 37.491 ( 2.042 0.000 5.680) 6.036 37.790 ( 2.393 0.000 0.541) 2.453 37.838 ( -3.489 0.000 0.323) 3.504 37.956 ( 0.088 0.000 2.158) 2.159 37.969 ( -0.606 0.000 -3.046) 3.106 38.187 ( 0.193 0.000 15.514) 15.515 38.188 ( 0.062 0.000 -7.764) 7.764 38.547 ( -1.542 0.000 -19.711) 19.771 38.961 ( -0.582 0.000 -20.429) 20.437 40.059 ( 0.969 0.000 12.729) 12.766 40.127 ( 0.822 0.000 7.861) 7.904 40.459 ( 1.287 0.000 -1.650) 2.092 40.629 ( 0.038 0.000 -7.698) 7.698 40.945 ( -3.817 0.000 1.133) 3.981 41.071 ( 6.075 0.000 -4.524) 7.574 ======================= Grid point 91 (44/84) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 7.330 0.000 13.996) 15.800 1.283 ( 21.249 0.000 14.525) 25.739 1.792 ( 1.832 0.000 -2.743) 3.299 1.818 ( 15.190 0.000 -13.044) 20.022 1.956 ( 8.824 0.000 -10.156) 13.454 2.138 ( 5.198 0.000 -3.261) 6.136 2.354 ( 6.793 0.000 3.420) 7.606 2.427 ( 7.309 0.000 1.017) 7.380 2.498 ( -9.447 0.000 -5.376) 10.869 2.729 ( 1.948 0.000 0.510) 2.014 2.918 ( 1.861 0.000 24.682) 24.752 2.985 ( 1.308 0.000 -5.810) 5.955 3.196 ( 0.518 0.000 1.141) 1.253 3.221 ( -5.833 0.000 -1.799) 6.104 3.392 ( 3.445 0.000 -3.218) 4.714 3.412 ( -2.583 0.000 5.852) 6.397 3.515 ( -2.944 0.000 -2.018) 3.569 3.588 ( -6.369 0.000 0.367) 6.379 3.715 ( 2.527 0.000 -6.741) 7.199 3.792 ( -7.194 0.000 -10.560) 12.777 3.817 ( -6.887 0.000 5.245) 8.657 3.928 ( 7.591 0.000 -3.717) 8.452 4.078 ( 8.173 0.000 -1.483) 8.307 4.209 ( 6.909 0.000 3.456) 7.725 4.233 ( 1.128 0.000 3.411) 3.593 4.312 ( 4.490 0.000 3.259) 5.548 4.453 ( -1.587 0.000 -0.557) 1.681 4.468 ( -1.162 0.000 8.294) 8.375 4.525 ( 4.350 0.000 -1.624) 4.644 4.594 ( 7.085 0.000 4.567) 8.430 4.791 ( -3.001 0.000 -0.207) 3.009 4.807 ( 6.939 0.000 -5.347) 8.760 4.962 ( 1.246 0.000 -4.400) 4.573 4.975 ( 0.903 0.000 11.883) 11.917 5.021 ( 1.479 0.000 2.135) 2.597 5.122 ( 2.828 0.000 -0.187) 2.834 5.201 ( 4.933 0.000 3.918) 6.299 5.452 ( 1.917 0.000 -13.733) 13.867 5.491 ( 2.809 0.000 4.836) 5.593 5.520 ( -3.162 0.000 -4.876) 5.811 5.691 ( 6.903 0.000 3.894) 7.925 5.733 ( 0.147 0.000 2.554) 2.558 5.806 ( 1.582 0.000 2.455) 2.920 5.829 ( 7.021 0.000 -0.743) 7.060 5.942 ( -0.418 0.000 5.718) 5.733 6.015 ( 6.425 0.000 -4.274) 7.717 6.054 ( 2.675 0.000 0.831) 2.801 6.148 ( -0.974 0.000 -1.448) 1.745 6.223 ( 8.137 0.000 -2.521) 8.518 6.241 ( 5.509 0.000 -3.023) 6.284 6.443 ( 3.465 0.000 11.839) 12.336 6.475 ( 1.393 0.000 -2.603) 2.952 6.499 ( 13.878 0.000 -0.676) 13.895 6.550 ( 1.672 0.000 4.780) 5.064 6.786 ( 7.319 0.000 -7.095) 10.194 6.955 ( 0.242 0.000 -1.761) 1.777 6.964 ( 1.887 0.000 -10.072) 10.248 7.025 ( -1.072 0.000 -5.920) 6.017 7.098 ( -0.142 0.000 -1.368) 1.375 7.102 ( 4.231 0.000 -3.210) 5.310 7.191 ( -1.315 0.000 5.331) 5.490 7.208 ( 4.072 0.000 1.759) 4.436 7.346 ( 10.383 0.000 2.822) 10.760 7.351 ( -3.273 0.000 3.073) 4.490 7.426 ( -1.910 0.000 7.310) 7.555 7.471 ( 1.805 0.000 -3.903) 4.300 7.639 ( 1.624 0.000 2.816) 3.250 7.683 ( 5.428 0.000 4.753) 7.214 7.828 ( 1.942 0.000 0.953) 2.163 7.886 ( -2.610 0.000 -5.690) 6.260 7.932 ( 3.567 0.000 -0.445) 3.594 7.956 ( -1.030 0.000 5.589) 5.683 8.028 ( -2.575 0.000 0.197) 2.583 8.076 ( -1.954 0.000 5.915) 6.229 8.106 ( 0.112 0.000 4.284) 4.286 8.151 ( -0.474 0.000 -3.081) 3.117 8.291 ( 4.532 0.000 -5.341) 7.004 8.333 ( 5.639 0.000 1.626) 5.869 8.494 ( -2.190 0.000 -2.980) 3.699 8.541 ( 0.329 0.000 -1.068) 1.117 8.572 ( -2.368 0.000 -7.697) 8.053 8.616 ( 1.361 0.000 2.841) 3.150 8.703 ( -0.910 0.000 5.818) 5.889 8.730 ( 2.119 0.000 -3.058) 3.721 8.803 ( -0.429 0.000 2.200) 2.241 8.895 ( -0.885 0.000 -1.678) 1.897 9.066 ( 0.219 0.000 1.804) 1.818 9.067 ( -5.548 0.000 -1.254) 5.688 9.143 ( 0.362 0.000 0.564) 0.670 9.151 ( -4.778 0.000 -3.431) 5.882 9.175 ( 1.783 0.000 -1.131) 2.112 9.215 ( 0.594 0.000 -6.669) 6.696 9.333 ( -0.885 0.000 -2.406) 2.564 9.363 ( -1.466 0.000 1.702) 2.246 9.578 ( -2.447 0.000 -3.200) 4.028 9.635 ( -2.784 0.000 -0.814) 2.901 9.697 ( -1.921 0.000 1.198) 2.264 9.715 ( -2.129 0.000 -0.331) 2.155 9.918 ( -2.320 0.000 3.158) 3.919 9.953 ( -4.065 0.000 -1.057) 4.200 10.066 ( -0.577 0.000 0.275) 0.640 10.097 ( 0.511 0.000 0.342) 0.615 10.236 ( 0.018 0.000 3.990) 3.990 10.359 ( -1.197 0.000 -4.429) 4.588 10.535 ( -11.127 0.000 0.273) 11.130 10.670 ( -1.104 0.000 7.081) 7.167 10.806 ( -7.576 0.000 -5.582) 9.411 10.936 ( -2.086 0.000 -4.282) 4.763 11.024 ( -5.891 0.000 0.531) 5.915 11.050 ( -14.880 0.000 -0.044) 14.881 11.234 ( -5.277 0.000 -4.123) 6.697 11.393 ( -5.070 0.000 -3.915) 6.406 11.691 ( -7.117 0.000 5.888) 9.237 11.888 ( -5.488 0.000 7.322) 9.150 12.049 ( 1.740 0.000 8.070) 8.255 12.294 ( -7.041 0.000 0.253) 7.045 12.353 ( -0.077 0.000 -9.142) 9.142 12.484 ( -7.350 0.000 0.207) 7.353 12.583 ( 13.172 0.000 -0.089) 13.173 13.234 ( 13.955 0.000 -10.483) 17.454 13.813 ( -3.058 0.000 10.986) 11.404 14.101 ( -5.556 0.000 -10.446) 11.832 14.274 ( -7.883 0.000 -0.749) 7.918 14.380 ( -3.312 0.000 2.918) 4.414 14.390 ( -3.114 0.000 1.714) 3.555 14.581 ( 2.541 0.000 -4.112) 4.833 14.693 ( -2.869 0.000 4.204) 5.090 14.874 ( 0.867 0.000 -3.939) 4.033 16.052 ( 0.899 0.000 0.016) 0.899 16.229 ( -3.462 0.000 -0.214) 3.469 16.288 ( 6.723 0.000 -7.498) 10.071 16.466 ( 5.422 0.000 -5.394) 7.648 16.948 ( 0.669 0.000 1.241) 1.410 16.969 ( 2.812 0.000 1.369) 3.128 17.023 ( -1.283 0.000 -0.997) 1.625 17.215 ( 3.428 0.000 -6.746) 7.567 17.307 ( -1.833 0.000 5.441) 5.741 17.425 ( 0.507 0.000 -1.429) 1.517 17.475 ( -1.670 0.000 3.982) 4.318 17.531 ( 1.057 0.000 -1.100) 1.526 17.589 ( -2.373 0.000 3.829) 4.505 17.731 ( -1.652 0.000 -0.834) 1.850 17.742 ( -3.458 0.000 -1.053) 3.615 17.789 ( -1.379 0.000 1.098) 1.763 17.832 ( 0.544 0.000 -2.827) 2.879 17.852 ( 1.931 0.000 -2.359) 3.048 17.885 ( -4.412 0.000 7.743) 8.912 18.111 ( -0.638 0.000 -5.271) 5.309 18.168 ( -2.102 0.000 0.438) 2.147 18.271 ( 1.251 0.000 0.090) 1.254 18.341 ( -3.388 0.000 5.519) 6.476 18.419 ( -0.069 0.000 0.803) 0.805 18.492 ( -2.391 0.000 2.536) 3.485 18.631 ( 1.515 0.000 -1.760) 2.322 18.847 ( -4.905 0.000 5.789) 7.587 18.875 ( -2.986 0.000 2.551) 3.927 20.229 ( 11.998 0.000 -0.368) 12.004 20.240 ( 12.059 0.000 -0.155) 12.060 20.268 ( 10.983 0.000 0.034) 10.983 20.286 ( 11.403 0.000 0.067) 11.404 20.312 ( 15.828 0.000 2.780) 16.070 20.378 ( 21.599 0.000 -7.623) 22.904 22.078 ( -3.454 0.000 -0.308) 3.468 22.091 ( -3.002 0.000 -0.796) 3.106 22.105 ( -2.889 0.000 -1.126) 3.101 22.117 ( -1.797 0.000 0.765) 1.953 22.171 ( -2.707 0.000 0.890) 2.849 22.194 ( -0.999 0.000 1.688) 1.961 26.939 ( 0.061 0.000 1.931) 1.932 26.989 ( 0.490 0.000 -1.692) 1.761 26.996 ( -0.701 0.000 1.609) 1.755 27.032 ( 0.043 0.000 -0.297) 0.300 27.502 ( -1.262 0.000 2.919) 3.181 27.542 ( -1.891 0.000 1.173) 2.225 27.576 ( -1.165 0.000 0.401) 1.233 27.578 ( -1.503 0.000 0.895) 1.750 27.661 ( 1.666 0.000 -1.519) 2.254 27.689 ( 0.728 0.000 -2.952) 3.041 27.896 ( -1.720 0.000 0.277) 1.742 27.906 ( -1.385 0.000 -0.296) 1.417 36.548 ( 2.406 0.000 0.380) 2.436 36.596 ( 2.376 0.000 -4.426) 5.023 37.022 ( 1.782 0.000 3.024) 3.510 37.088 ( 2.513 0.000 -1.825) 3.106 37.127 ( 5.471 0.000 6.184) 8.256 37.147 ( 0.802 0.000 -3.746) 3.831 37.201 ( 1.416 0.000 3.269) 3.563 37.216 ( 0.616 0.000 2.546) 2.620 37.557 ( 1.681 0.000 6.059) 6.287 37.584 ( 2.711 0.000 4.100) 4.915 37.769 ( -3.157 0.000 -0.490) 3.194 37.867 ( 4.479 0.000 1.851) 4.846 37.953 ( 1.412 0.000 -2.312) 2.709 38.008 ( 4.144 0.000 0.798) 4.220 38.148 ( -0.845 0.000 0.231) 0.876 38.301 ( -2.616 0.000 -3.194) 4.129 38.353 ( -2.704 0.000 4.259) 5.045 38.745 ( -4.003 0.000 -20.216) 20.608 40.043 ( -10.432 0.000 6.758) 12.430 40.105 ( -8.748 0.000 5.239) 10.197 40.266 ( -22.245 0.000 7.931) 23.616 40.382 ( -16.875 0.000 -10.891) 20.084 40.676 ( -23.876 0.000 -1.226) 23.908 40.820 ( -21.763 0.000 1.797) 21.837 ======================= Grid point 92 (45/84) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( 14.102 0.000 11.195) 18.006 1.773 ( 9.946 0.000 2.552) 10.268 1.843 ( 17.707 0.000 -4.546) 18.282 2.006 ( 12.252 0.000 -13.813) 18.464 2.088 ( 2.936 0.000 -16.168) 16.433 2.118 ( 9.948 0.000 2.208) 10.190 2.406 ( 0.880 0.000 1.839) 2.038 2.553 ( 1.775 0.000 3.380) 3.818 2.615 ( 8.503 0.000 11.524) 14.321 2.732 ( 3.857 0.000 -5.605) 6.804 3.001 ( -3.652 0.000 -3.418) 5.002 3.010 ( 3.104 0.000 -2.984) 4.306 3.101 ( -10.172 0.000 0.763) 10.201 3.134 ( 0.475 0.000 -2.064) 2.118 3.344 ( -4.574 0.000 0.574) 4.610 3.385 ( 0.411 0.000 2.061) 2.102 3.502 ( -4.738 0.000 3.157) 5.693 3.594 ( 1.867 0.000 -11.953) 12.098 3.708 ( -0.920 0.000 -2.702) 2.854 3.741 ( 8.805 0.000 15.917) 18.190 3.758 ( -5.417 0.000 7.642) 9.367 3.934 ( -4.707 0.000 -2.822) 5.488 4.201 ( -3.015 0.000 -5.517) 6.287 4.202 ( 2.222 0.000 -0.924) 2.406 4.224 ( -3.379 0.000 5.635) 6.570 4.302 ( 4.560 0.000 -5.219) 6.930 4.535 ( 5.262 0.000 -0.441) 5.280 4.639 ( 8.285 0.000 -3.613) 9.038 4.644 ( 8.696 0.000 6.359) 10.773 4.731 ( -1.630 0.000 1.216) 2.033 4.782 ( 4.822 0.000 3.183) 5.778 4.907 ( 7.150 0.000 2.097) 7.451 4.989 ( 4.417 0.000 -1.926) 4.819 5.040 ( 0.943 0.000 -0.976) 1.357 5.189 ( 9.308 0.000 12.389) 15.496 5.219 ( 5.841 0.000 2.200) 6.241 5.352 ( 5.558 0.000 6.163) 8.299 5.395 ( 4.169 0.000 -14.380) 14.972 5.429 ( -1.908 0.000 -5.029) 5.379 5.595 ( 3.866 0.000 4.408) 5.863 5.765 ( 0.453 0.000 1.275) 1.353 5.809 ( -0.160 0.000 6.877) 6.879 5.926 ( 9.361 0.000 -1.238) 9.443 5.960 ( 7.054 0.000 -0.439) 7.067 5.963 ( 0.883 0.000 1.383) 1.641 6.091 ( 1.960 0.000 -2.143) 2.904 6.143 ( 3.264 0.000 -3.890) 5.078 6.223 ( 9.633 0.000 8.926) 13.133 6.333 ( 6.000 0.000 -2.955) 6.688 6.458 ( 15.988 0.000 0.105) 15.988 6.480 ( 3.812 0.000 -5.703) 6.860 6.595 ( -0.336 0.000 3.778) 3.793 6.619 ( 4.921 0.000 10.309) 11.424 6.811 ( 12.395 0.000 0.197) 12.396 6.927 ( 5.028 0.000 -3.196) 5.958 6.944 ( 0.760 0.000 -9.928) 9.957 6.956 ( 12.418 0.000 -6.168) 13.865 7.029 ( 5.069 0.000 -5.413) 7.416 7.041 ( -2.248 0.000 5.061) 5.538 7.149 ( 7.885 0.000 -5.326) 9.515 7.216 ( 3.069 0.000 1.256) 3.316 7.297 ( -0.203 0.000 4.287) 4.291 7.380 ( 5.337 0.000 1.618) 5.577 7.498 ( -0.220 0.000 11.572) 11.574 7.517 ( 4.751 0.000 -1.162) 4.891 7.642 ( 12.945 0.000 0.514) 12.955 7.710 ( 4.742 0.000 1.940) 5.124 7.767 ( 0.822 0.000 0.241) 0.856 7.839 ( 2.908 0.000 -2.496) 3.833 7.845 ( 0.739 0.000 -1.352) 1.541 7.979 ( -3.356 0.000 7.193) 7.937 8.015 ( 3.059 0.000 0.641) 3.126 8.052 ( 1.764 0.000 7.547) 7.751 8.099 ( 3.322 0.000 2.865) 4.387 8.114 ( 0.882 0.000 2.828) 2.962 8.155 ( -0.220 0.000 1.113) 1.135 8.305 ( -8.162 0.000 -8.028) 11.449 8.364 ( 3.733 0.000 -2.800) 4.666 8.465 ( 4.971 0.000 -2.477) 5.554 8.508 ( -0.742 0.000 -3.046) 3.136 8.524 ( 1.245 0.000 -0.665) 1.411 8.636 ( -0.735 0.000 3.553) 3.628 8.742 ( 0.970 0.000 1.445) 1.741 8.761 ( 0.519 0.000 0.746) 0.909 8.807 ( -4.189 0.000 5.784) 7.142 8.900 ( 2.490 0.000 -0.435) 2.528 8.945 ( -7.071 0.000 3.148) 7.740 9.006 ( -6.168 0.000 -2.572) 6.683 9.099 ( -0.498 0.000 0.054) 0.501 9.139 ( 2.777 0.000 -4.647) 5.413 9.158 ( -2.805 0.000 -1.332) 3.105 9.187 ( 1.401 0.000 -5.077) 5.266 9.289 ( -2.111 0.000 -0.564) 2.185 9.356 ( -0.177 0.000 -0.290) 0.340 9.470 ( -5.409 0.000 -0.912) 5.485 9.526 ( -7.806 0.000 -0.946) 7.863 9.644 ( -4.535 0.000 2.801) 5.330 9.682 ( -0.735 0.000 -0.347) 0.813 9.851 ( -5.785 0.000 -1.694) 6.028 9.857 ( -4.177 0.000 -1.149) 4.333 10.028 ( -4.202 0.000 0.046) 4.203 10.070 ( -3.945 0.000 1.306) 4.155 10.215 ( -2.426 0.000 -3.838) 4.541 10.279 ( -2.515 0.000 -7.528) 7.937 10.357 ( -9.085 0.000 5.340) 10.539 10.560 ( -16.023 0.000 3.889) 16.488 10.605 ( -8.596 0.000 -3.616) 9.326 10.728 ( -16.293 0.000 3.224) 16.609 10.838 ( -1.805 0.000 1.999) 2.693 10.934 ( -6.245 0.000 -3.307) 7.066 11.031 ( -10.137 0.000 -6.435) 12.007 11.252 ( -4.064 0.000 -3.414) 5.308 11.569 ( -8.455 0.000 1.308) 8.555 11.869 ( -2.880 0.000 5.179) 5.926 11.952 ( -17.956 0.000 -5.795) 18.868 12.179 ( 2.891 0.000 7.664) 8.191 12.385 ( 4.551 0.000 -1.520) 4.798 12.489 ( 2.944 0.000 2.620) 3.941 12.722 ( 3.043 0.000 -5.022) 5.872 13.291 ( 2.410 0.000 -10.942) 11.204 13.835 ( -3.686 0.000 10.355) 10.992 13.931 ( -3.873 0.000 -3.524) 5.236 14.170 ( -1.137 0.000 -3.407) 3.592 14.303 ( -5.336 0.000 3.415) 6.335 14.358 ( -3.248 0.000 2.454) 4.071 14.596 ( 2.156 0.000 -3.251) 3.901 14.644 ( -4.470 0.000 1.506) 4.717 14.842 ( -0.212 0.000 -5.495) 5.499 16.101 ( 2.629 0.000 2.487) 3.619 16.202 ( -0.558 0.000 1.800) 1.885 16.387 ( 7.983 0.000 -4.317) 9.075 16.531 ( 4.773 0.000 -3.508) 5.923 16.959 ( 1.346 0.000 -3.241) 3.509 17.019 ( 0.035 0.000 2.886) 2.886 17.048 ( 3.534 0.000 2.296) 4.214 17.212 ( 2.562 0.000 -8.062) 8.459 17.338 ( -0.334 0.000 6.461) 6.470 17.431 ( 0.457 0.000 -0.162) 0.485 17.466 ( -2.765 0.000 4.899) 5.625 17.531 ( 0.814 0.000 -4.124) 4.204 17.563 ( -2.326 0.000 0.907) 2.497 17.656 ( -4.614 0.000 0.880) 4.698 17.707 ( 0.497 0.000 -0.857) 0.991 17.782 ( -1.404 0.000 3.076) 3.382 17.820 ( -0.942 0.000 1.929) 2.147 17.863 ( 1.523 0.000 -3.969) 4.251 17.883 ( -2.506 0.000 7.367) 7.781 18.015 ( -1.684 0.000 -9.768) 9.912 18.136 ( -1.650 0.000 -0.085) 1.652 18.280 ( 0.451 0.000 -1.850) 1.904 18.321 ( -3.147 0.000 4.634) 5.601 18.407 ( -0.576 0.000 -2.151) 2.226 18.464 ( -2.753 0.000 3.111) 4.154 18.647 ( 1.481 0.000 -1.454) 2.075 18.791 ( -5.153 0.000 5.280) 7.377 18.832 ( -2.795 0.000 1.000) 2.968 20.527 ( 18.254 0.000 -1.157) 18.290 20.535 ( 17.987 0.000 -1.459) 18.046 20.554 ( 17.709 0.000 1.182) 17.748 20.583 ( 18.135 0.000 1.539) 18.200 20.730 ( 22.035 0.000 -11.156) 24.698 20.764 ( 23.374 0.000 9.957) 25.407 21.973 ( -7.126 0.000 -0.513) 7.144 21.989 ( -6.850 0.000 -1.083) 6.935 22.005 ( -6.287 0.000 -1.763) 6.530 22.060 ( -4.878 0.000 0.859) 4.953 22.107 ( -4.898 0.000 1.112) 5.023 22.187 ( -1.497 0.000 2.586) 2.988 26.955 ( -0.065 0.000 1.870) 1.871 26.990 ( -1.048 0.000 1.168) 1.569 26.990 ( 1.040 0.000 -1.575) 1.887 27.030 ( 0.149 0.000 -0.785) 0.799 27.498 ( -1.498 0.000 2.691) 3.080 27.511 ( -1.772 0.000 0.578) 1.864 27.550 ( -2.035 0.000 1.134) 2.329 27.558 ( -1.261 0.000 0.904) 1.552 27.678 ( 1.668 0.000 -1.968) 2.580 27.681 ( 0.960 0.000 -2.698) 2.864 27.854 ( -2.586 0.000 -0.083) 2.587 27.867 ( -2.111 0.000 -0.604) 2.196 36.609 ( 3.476 0.000 0.169) 3.481 36.619 ( 3.768 0.000 -4.467) 5.844 37.086 ( 0.463 0.000 -5.183) 5.203 37.091 ( 2.635 0.000 2.391) 3.558 37.177 ( 4.615 0.000 -2.066) 5.056 37.211 ( -0.086 0.000 2.904) 2.905 37.285 ( 3.718 0.000 2.627) 4.553 37.365 ( 10.358 0.000 5.291) 11.631 37.636 ( 3.404 0.000 -0.107) 3.406 37.655 ( 3.525 0.000 -0.728) 3.600 37.713 ( -1.917 0.000 -1.089) 2.205 37.963 ( -1.915 0.000 2.223) 2.934 37.979 ( 4.922 0.000 0.876) 5.000 38.133 ( 8.152 0.000 0.380) 8.161 38.156 ( 0.870 0.000 -6.704) 6.760 38.167 ( -0.051 0.000 7.853) 7.853 38.451 ( -1.598 0.000 15.558) 15.640 38.503 ( -4.015 0.000 -16.854) 17.326 39.783 ( -22.781 0.000 7.068) 23.852 39.832 ( -28.280 0.000 -16.693) 32.840 39.844 ( -25.550 0.000 10.668) 27.688 39.881 ( -16.742 0.000 0.787) 16.760 40.072 ( -31.365 0.000 -5.691) 31.877 40.380 ( -25.235 0.000 1.275) 25.268 ======================= Grid point 93 (46/84) ======================= q-point: ( 0.33 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.878 ( 9.189 0.000 -6.205) 11.088 1.912 ( 12.130 0.000 -4.757) 13.029 1.984 ( 4.041 0.000 -2.402) 4.701 2.154 ( 10.102 0.000 -5.108) 11.320 2.180 ( 10.736 0.000 -6.142) 12.369 2.366 ( 11.013 0.000 6.231) 12.654 2.473 ( 5.012 0.000 -1.245) 5.164 2.547 ( -4.243 0.000 2.521) 4.936 2.673 ( -5.807 0.000 -11.363) 12.761 2.707 ( -4.524 0.000 0.784) 4.592 2.859 ( -3.978 0.000 -5.518) 6.803 2.956 ( -2.156 0.000 -0.735) 2.278 3.028 ( -1.899 0.000 4.035) 4.460 3.162 ( 1.743 0.000 -3.344) 3.771 3.389 ( -5.532 0.000 6.133) 8.259 3.395 ( 9.006 0.000 1.270) 9.095 3.464 ( 1.588 0.000 4.021) 4.323 3.577 ( -7.330 0.000 -5.727) 9.302 3.648 ( 9.323 0.000 -8.357) 12.520 3.665 ( -10.958 0.000 2.733) 11.293 3.840 ( -0.980 0.000 6.183) 6.260 3.945 ( 0.914 0.000 10.452) 10.492 4.088 ( -1.573 0.000 -4.986) 5.228 4.154 ( -4.118 0.000 1.130) 4.270 4.323 ( 3.359 0.000 11.577) 12.054 4.454 ( 9.924 0.000 -5.032) 11.127 4.627 ( 5.583 0.000 1.800) 5.866 4.669 ( 0.653 0.000 -2.732) 2.809 4.751 ( -1.839 0.000 -3.844) 4.261 4.845 ( 9.923 0.000 -2.286) 10.183 4.849 ( 7.062 0.000 -1.000) 7.132 5.038 ( -3.163 0.000 9.064) 9.600 5.075 ( 4.843 0.000 -1.685) 5.128 5.130 ( 8.628 0.000 3.409) 9.277 5.314 ( 2.179 0.000 -2.480) 3.301 5.361 ( 1.233 0.000 -5.529) 5.665 5.428 ( 3.938 0.000 4.404) 5.907 5.452 ( 8.308 0.000 0.600) 8.330 5.513 ( 7.117 0.000 5.771) 9.163 5.652 ( -2.876 0.000 5.152) 5.900 5.788 ( 3.144 0.000 -1.960) 3.705 5.832 ( -2.548 0.000 5.978) 6.499 5.999 ( 1.795 0.000 0.107) 1.798 6.037 ( -3.121 0.000 0.006) 3.121 6.072 ( 6.300 0.000 -2.369) 6.731 6.118 ( 6.577 0.000 4.944) 8.228 6.220 ( 4.494 0.000 -3.396) 5.633 6.380 ( 2.912 0.000 -2.225) 3.664 6.492 ( 8.865 0.000 7.985) 11.931 6.500 ( 2.980 0.000 -6.087) 6.777 6.602 ( -9.186 0.000 -4.857) 10.391 6.663 ( 4.759 0.000 1.370) 4.952 6.741 ( 4.668 0.000 -1.829) 5.014 6.884 ( 9.983 0.000 4.734) 11.049 7.025 ( 9.571 0.000 12.312) 15.595 7.028 ( 5.794 0.000 -11.639) 13.002 7.105 ( 4.605 0.000 -0.954) 4.702 7.192 ( 1.478 0.000 0.785) 1.673 7.216 ( 10.405 0.000 2.633) 10.733 7.223 ( 12.121 0.000 0.644) 12.138 7.354 ( 13.772 0.000 -2.419) 13.983 7.419 ( 5.859 0.000 -3.702) 6.931 7.502 ( 8.915 0.000 -2.626) 9.293 7.556 ( -0.545 0.000 4.424) 4.458 7.601 ( 5.333 0.000 6.080) 8.088 7.711 ( 2.278 0.000 -8.532) 8.831 7.792 ( -1.817 0.000 0.964) 2.057 7.851 ( 0.978 0.000 2.983) 3.139 7.878 ( -0.212 0.000 0.660) 0.693 7.885 ( 5.853 0.000 1.275) 5.990 7.963 ( -1.905 0.000 3.239) 3.757 8.016 ( -4.837 0.000 4.047) 6.307 8.081 ( -3.705 0.000 -5.281) 6.450 8.127 ( -1.513 0.000 -1.243) 1.958 8.179 ( 1.834 0.000 3.868) 4.280 8.203 ( 5.611 0.000 3.773) 6.762 8.294 ( 9.724 0.000 2.508) 10.042 8.386 ( 1.683 0.000 2.761) 3.234 8.480 ( 0.157 0.000 -1.231) 1.241 8.502 ( 2.538 0.000 -5.284) 5.862 8.588 ( 0.155 0.000 -0.571) 0.591 8.677 ( 2.221 0.000 2.864) 3.624 8.700 ( -7.589 0.000 3.027) 8.171 8.714 ( -3.947 0.000 -1.034) 4.080 8.769 ( -0.270 0.000 5.272) 5.279 8.889 ( -4.572 0.000 6.395) 7.861 8.913 ( -3.716 0.000 0.216) 3.722 8.942 ( 0.600 0.000 2.566) 2.635 9.030 ( 0.614 0.000 -5.700) 5.733 9.090 ( -3.244 0.000 -0.136) 3.247 9.150 ( 1.335 0.000 -6.042) 6.188 9.172 ( 0.447 0.000 -3.807) 3.833 9.270 ( -0.272 0.000 2.572) 2.586 9.294 ( -1.076 0.000 -7.530) 7.606 9.340 ( -10.067 0.000 1.138) 10.132 9.461 ( -0.773 0.000 5.054) 5.113 9.594 ( -2.975 0.000 4.023) 5.004 9.689 ( 2.635 0.000 -1.612) 3.089 9.705 ( -5.710 0.000 1.777) 5.980 9.784 ( -4.926 0.000 3.376) 5.972 9.888 ( -9.023 0.000 -1.902) 9.221 9.945 ( -9.180 0.000 -0.488) 9.193 10.122 ( -4.331 0.000 -11.022) 11.842 10.141 ( 0.675 0.000 -6.853) 6.886 10.216 ( -11.998 0.000 4.244) 12.726 10.229 ( -18.385 0.000 1.882) 18.481 10.444 ( -5.673 0.000 3.366) 6.596 10.603 ( -1.409 0.000 5.715) 5.886 10.703 ( -9.957 0.000 -8.298) 12.961 10.776 ( -8.755 0.000 -8.484) 12.192 10.859 ( 0.407 0.000 0.434) 0.595 11.179 ( -2.288 0.000 -2.709) 3.546 11.426 ( -6.028 0.000 1.441) 6.198 11.623 ( -10.180 0.000 -5.074) 11.375 11.830 ( -3.814 0.000 0.063) 3.814 12.186 ( -7.149 0.000 -1.288) 7.264 12.483 ( 4.661 0.000 3.656) 5.923 12.582 ( 2.486 0.000 5.415) 5.958 12.711 ( 2.375 0.000 -1.203) 2.662 13.208 ( -1.104 0.000 -9.033) 9.100 13.843 ( -3.702 0.000 9.284) 9.994 13.908 ( 1.587 0.000 -0.399) 1.636 14.152 ( 2.779 0.000 -5.524) 6.183 14.227 ( -5.808 0.000 3.255) 6.658 14.325 ( -1.963 0.000 3.263) 3.808 14.558 ( -4.324 0.000 -0.639) 4.371 14.614 ( 2.872 0.000 -4.186) 5.076 14.775 ( -1.379 0.000 -6.627) 6.768 16.182 ( 2.415 0.000 4.755) 5.333 16.223 ( 0.135 0.000 3.788) 3.790 16.505 ( 6.748 0.000 -2.752) 7.288 16.584 ( 3.479 0.000 -3.273) 4.777 16.962 ( 1.621 0.000 -2.756) 3.197 17.050 ( 0.594 0.000 2.179) 2.258 17.132 ( 3.439 0.000 0.936) 3.564 17.186 ( 1.729 0.000 -7.986) 8.171 17.388 ( -0.407 0.000 6.686) 6.698 17.434 ( -0.423 0.000 0.720) 0.835 17.458 ( -2.329 0.000 5.770) 6.223 17.487 ( 0.315 0.000 -8.196) 8.202 17.521 ( -1.810 0.000 -0.858) 2.003 17.586 ( -4.010 0.000 2.366) 4.656 17.750 ( 3.837 0.000 0.665) 3.894 17.789 ( -0.442 0.000 3.358) 3.387 17.831 ( -0.666 0.000 3.320) 3.386 17.847 ( 0.238 0.000 -2.309) 2.321 17.900 ( -2.287 0.000 7.868) 8.193 17.914 ( -0.504 0.000 -9.324) 9.338 18.103 ( -1.372 0.000 -0.628) 1.509 18.257 ( -0.437 0.000 -3.874) 3.898 18.284 ( -2.717 0.000 0.010) 2.717 18.365 ( -0.800 0.000 -4.477) 4.548 18.447 ( -2.311 0.000 5.035) 5.540 18.661 ( 1.142 0.000 -1.609) 1.973 18.743 ( -4.213 0.000 5.025) 6.557 18.789 ( -1.989 0.000 0.019) 1.989 20.881 ( 19.028 0.000 -2.350) 19.172 20.882 ( 19.502 0.000 -2.250) 19.631 20.941 ( 19.642 0.000 2.681) 19.825 20.979 ( 19.810 0.000 3.052) 20.044 21.043 ( 19.270 0.000 -9.281) 21.389 21.294 ( 19.414 0.000 13.653) 23.734 21.791 ( -11.267 0.000 -0.578) 11.282 21.807 ( -11.071 0.000 -1.198) 11.136 21.834 ( -9.669 0.000 -1.765) 9.829 21.940 ( -8.310 0.000 0.883) 8.357 21.995 ( -7.796 0.000 1.129) 7.877 22.179 ( -1.739 0.000 3.135) 3.585 26.964 ( -0.556 0.000 1.524) 1.622 26.978 ( -0.935 0.000 1.036) 1.396 27.002 ( 1.376 0.000 -1.338) 1.919 27.025 ( 0.258 0.000 -1.244) 1.270 27.490 ( -1.321 0.000 2.279) 2.634 27.491 ( -0.785 0.000 0.736) 1.077 27.523 ( -1.759 0.000 1.372) 2.231 27.543 ( -1.020 0.000 1.029) 1.448 27.686 ( 1.549 0.000 -1.916) 2.464 27.694 ( 1.678 0.000 -2.095) 2.684 27.801 ( -2.439 0.000 -0.521) 2.494 27.820 ( -2.003 0.000 -0.980) 2.229 36.668 ( 4.791 0.000 -3.780) 6.102 36.681 ( 3.754 0.000 0.113) 3.756 37.051 ( 0.576 0.000 -4.992) 5.025 37.139 ( -0.125 0.000 1.541) 1.546 37.225 ( -0.790 0.000 2.836) 2.944 37.242 ( 1.983 0.000 -2.360) 3.083 37.336 ( 2.229 0.000 -5.526) 5.959 37.561 ( 4.245 0.000 -3.663) 5.607 37.663 ( -0.984 0.000 0.489) 1.099 37.717 ( 5.991 0.000 -1.636) 6.211 37.751 ( 7.923 0.000 0.941) 7.979 37.965 ( -1.537 0.000 10.808) 10.917 38.046 ( 3.606 0.000 0.237) 3.614 38.239 ( 6.958 0.000 2.316) 7.333 38.251 ( 0.223 0.000 4.026) 4.032 38.330 ( 12.360 0.000 -0.167) 12.362 38.410 ( 6.775 0.000 -3.243) 7.512 38.537 ( -0.002 0.000 10.284) 10.284 39.091 ( -26.520 0.000 -22.715) 34.918 39.347 ( -29.300 0.000 14.887) 32.865 39.454 ( -22.278 0.000 -7.825) 23.613 39.461 ( -19.449 0.000 -1.600) 19.514 39.539 ( -22.190 0.000 0.028) 22.190 39.872 ( -25.713 0.000 -2.904) 25.877 ======================= Grid point 94 (47/84) ======================= q-point: ( 0.44 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.895 ( 2.642 0.000 -10.873) 11.190 1.995 ( 4.236 0.000 -8.199) 9.229 2.177 ( 9.376 0.000 -3.005) 9.846 2.190 ( 0.380 0.000 -3.854) 3.873 2.288 ( -2.809 0.000 0.784) 2.916 2.327 ( -9.563 0.000 -5.975) 11.276 2.490 ( -0.497 0.000 -8.919) 8.932 2.499 ( -0.847 0.000 -5.361) 5.427 2.612 ( 3.933 0.000 4.040) 5.638 2.694 ( 6.907 0.000 0.629) 6.936 2.799 ( -1.362 0.000 3.582) 3.832 2.959 ( -0.775 0.000 1.819) 1.978 2.969 ( -5.309 0.000 3.903) 6.589 3.122 ( -1.142 0.000 -6.601) 6.699 3.337 ( -14.260 0.000 1.626) 14.352 3.363 ( 2.346 0.000 -0.288) 2.363 3.473 ( -0.448 0.000 -0.107) 0.461 3.508 ( -2.526 0.000 6.408) 6.888 3.679 ( 7.211 0.000 6.258) 9.548 3.808 ( 11.441 0.000 -4.384) 12.252 3.923 ( -1.046 0.000 4.062) 4.195 4.001 ( -0.016 0.000 2.670) 2.670 4.084 ( 1.879 0.000 -1.294) 2.281 4.125 ( 3.079 0.000 5.127) 5.980 4.424 ( -1.325 0.000 9.021) 9.118 4.493 ( 1.073 0.000 -9.278) 9.340 4.624 ( -6.502 0.000 -4.714) 8.031 4.703 ( 2.902 0.000 0.803) 3.011 4.771 ( 5.851 0.000 1.286) 5.990 4.986 ( 5.457 0.000 0.092) 5.457 5.005 ( -5.375 0.000 5.585) 7.751 5.008 ( 7.463 0.000 -0.089) 7.463 5.117 ( 2.660 0.000 -4.876) 5.554 5.264 ( 2.925 0.000 -2.824) 4.065 5.345 ( 2.137 0.000 1.546) 2.638 5.396 ( 5.397 0.000 -0.848) 5.463 5.432 ( -3.931 0.000 2.852) 4.857 5.562 ( -6.252 0.000 4.722) 7.835 5.640 ( 7.464 0.000 2.899) 8.007 5.647 ( -0.970 0.000 -0.683) 1.187 5.820 ( -3.112 0.000 5.133) 6.002 5.853 ( 0.371 0.000 0.604) 0.709 5.999 ( 1.957 0.000 4.509) 4.915 6.005 ( -0.372 0.000 -3.675) 3.694 6.136 ( 1.353 0.000 -1.110) 1.750 6.173 ( -3.856 0.000 -0.763) 3.931 6.328 ( 9.258 0.000 1.288) 9.347 6.361 ( -9.150 0.000 1.441) 9.263 6.475 ( 4.899 0.000 -2.063) 5.316 6.536 ( 3.737 0.000 4.654) 5.969 6.642 ( -3.751 0.000 3.148) 4.897 6.736 ( 0.007 0.000 7.154) 7.154 6.767 ( 7.138 0.000 -2.961) 7.728 6.994 ( -5.853 0.000 -8.518) 10.335 7.049 ( 3.295 0.000 -4.764) 5.792 7.218 ( 1.110 0.000 0.308) 1.152 7.242 ( 13.179 0.000 0.548) 13.190 7.309 ( 7.326 0.000 6.914) 10.074 7.331 ( -0.003 0.000 -4.992) 4.992 7.369 ( 2.519 0.000 -1.951) 3.187 7.510 ( 2.740 0.000 6.311) 6.880 7.520 ( 2.718 0.000 1.133) 2.945 7.614 ( -6.096 0.000 1.138) 6.201 7.617 ( 1.665 0.000 2.047) 2.638 7.649 ( 1.059 0.000 -6.331) 6.419 7.697 ( -3.105 0.000 0.949) 3.247 7.780 ( 0.921 0.000 -2.005) 2.206 7.819 ( 8.847 0.000 -0.432) 8.857 7.895 ( 1.125 0.000 -2.000) 2.294 7.967 ( -0.720 0.000 1.464) 1.631 7.970 ( 1.975 0.000 -1.546) 2.508 7.984 ( 7.162 0.000 0.379) 7.172 8.112 ( 4.915 0.000 1.704) 5.202 8.146 ( 0.627 0.000 2.137) 2.227 8.194 ( -0.314 0.000 -0.060) 0.319 8.325 ( -2.855 0.000 -0.549) 2.908 8.385 ( -1.145 0.000 -2.650) 2.887 8.408 ( 4.851 0.000 7.686) 9.089 8.459 ( -1.836 0.000 1.166) 2.175 8.497 ( -3.603 0.000 -4.322) 5.627 8.543 ( -2.637 0.000 0.086) 2.639 8.630 ( -0.082 0.000 3.498) 3.499 8.675 ( -0.085 0.000 -0.335) 0.346 8.682 ( 2.600 0.000 1.667) 3.089 8.807 ( -3.389 0.000 1.268) 3.619 8.854 ( -6.024 0.000 0.438) 6.040 8.859 ( -4.190 0.000 4.264) 5.978 9.015 ( 3.707 0.000 6.657) 7.619 9.045 ( -2.031 0.000 1.419) 2.478 9.077 ( 5.787 0.000 -0.548) 5.813 9.126 ( -4.950 0.000 4.822) 6.910 9.133 ( 5.653 0.000 -7.828) 9.656 9.196 ( 0.026 0.000 -2.165) 2.165 9.212 ( -4.131 0.000 -3.657) 5.517 9.375 ( 4.848 0.000 4.576) 6.667 9.428 ( -0.683 0.000 -1.583) 1.724 9.543 ( -1.194 0.000 1.722) 2.096 9.650 ( -8.298 0.000 1.208) 8.386 9.695 ( -6.443 0.000 -3.495) 7.329 9.776 ( 4.159 0.000 1.519) 4.428 9.815 ( 5.245 0.000 12.094) 13.183 9.818 ( -3.735 0.000 -2.064) 4.267 9.943 ( -7.449 0.000 -1.555) 7.609 9.986 ( -8.882 0.000 0.401) 8.892 10.014 ( -1.326 0.000 -7.727) 7.840 10.068 ( -4.456 0.000 -4.602) 6.406 10.406 ( -1.720 0.000 1.534) 2.305 10.529 ( 0.210 0.000 -8.348) 8.351 10.584 ( -2.255 0.000 -7.495) 7.827 10.693 ( 2.496 0.000 7.654) 8.051 10.813 ( -2.084 0.000 -7.207) 7.502 11.121 ( -0.425 0.000 -3.948) 3.971 11.377 ( -1.308 0.000 2.197) 2.557 11.501 ( -0.893 0.000 2.996) 3.127 11.722 ( -4.916 0.000 -4.690) 6.794 11.939 ( -11.313 0.000 -7.663) 13.664 12.620 ( 4.460 0.000 7.688) 8.888 12.655 ( -0.296 0.000 6.537) 6.543 12.805 ( 5.428 0.000 0.753) 5.480 13.126 ( -0.220 0.000 -7.895) 7.898 13.850 ( -3.011 0.000 8.465) 8.985 13.922 ( -0.218 0.000 -0.361) 0.422 14.126 ( -6.301 0.000 0.723) 6.342 14.196 ( 6.238 0.000 -4.971) 7.976 14.339 ( -0.566 0.000 5.282) 5.312 14.484 ( -2.218 0.000 -0.900) 2.393 14.625 ( 2.193 0.000 -6.868) 7.210 14.696 ( -0.242 0.000 -6.785) 6.790 16.255 ( -0.151 0.000 6.176) 6.177 16.270 ( 0.768 0.000 6.661) 6.705 16.585 ( 3.796 0.000 -3.633) 5.254 16.607 ( 2.158 0.000 -4.423) 4.921 16.975 ( 1.321 0.000 -1.372) 1.905 17.070 ( 0.190 0.000 0.722) 0.747 17.156 ( 2.055 0.000 -6.815) 7.118 17.190 ( 2.654 0.000 -2.147) 3.413 17.388 ( -2.376 0.000 -3.882) 4.551 17.417 ( -2.210 0.000 6.114) 6.501 17.470 ( -1.510 0.000 5.834) 6.026 17.472 ( 2.965 0.000 -3.248) 4.398 17.493 ( 0.313 0.000 -2.269) 2.290 17.543 ( -3.169 0.000 4.411) 5.432 17.802 ( -0.115 0.000 -3.260) 3.262 17.822 ( 0.770 0.000 3.766) 3.844 17.834 ( -0.783 0.000 -5.624) 5.678 17.858 ( 5.742 0.000 -1.699) 5.988 17.877 ( -0.817 0.000 7.401) 7.446 17.925 ( -1.957 0.000 8.518) 8.740 18.070 ( -1.697 0.000 -0.621) 1.808 18.199 ( -1.551 0.000 -5.339) 5.560 18.228 ( -1.203 0.000 -2.996) 3.228 18.305 ( -0.715 0.000 -6.406) 6.446 18.454 ( -1.640 0.000 5.691) 5.923 18.663 ( 0.730 0.000 -2.470) 2.576 18.711 ( -3.398 0.000 5.033) 6.073 18.760 ( -1.090 0.000 0.386) 1.157 21.211 ( 15.812 0.000 -1.187) 15.856 21.227 ( 17.317 0.000 -1.708) 17.401 21.317 ( 15.199 0.000 -5.952) 16.323 21.319 ( 16.185 0.000 2.197) 16.333 21.359 ( 15.330 0.000 2.232) 15.492 21.527 ( -10.974 0.000 0.118) 10.975 21.531 ( -14.102 0.000 -0.509) 14.112 21.549 ( -13.623 0.000 -1.073) 13.665 21.759 ( -10.257 0.000 0.903) 10.297 21.767 ( 6.463 0.000 7.885) 10.195 21.836 ( -7.160 0.000 2.971) 7.752 22.169 ( -1.764 0.000 2.300) 2.899 26.959 ( -0.961 0.000 1.256) 1.582 26.974 ( -0.597 0.000 1.211) 1.350 27.018 ( 1.102 0.000 -1.273) 1.684 27.020 ( 0.561 0.000 -1.377) 1.487 27.487 ( -1.085 0.000 2.330) 2.570 27.490 ( -0.183 0.000 1.019) 1.035 27.506 ( -0.987 0.000 1.175) 1.535 27.537 ( -0.405 0.000 0.968) 1.050 27.710 ( 1.649 0.000 -1.834) 2.467 27.710 ( 2.112 0.000 -0.974) 2.326 27.755 ( -1.589 0.000 -1.037) 1.898 27.775 ( -1.565 0.000 -1.370) 2.080 36.744 ( 5.333 0.000 -1.280) 5.484 36.754 ( 3.427 0.000 0.814) 3.523 37.031 ( 0.968 0.000 -3.997) 4.113 37.085 ( -6.033 0.000 -0.092) 6.033 37.158 ( -3.962 0.000 -7.898) 8.836 37.227 ( -1.487 0.000 1.980) 2.476 37.336 ( 0.931 0.000 -2.670) 2.828 37.448 ( -6.006 0.000 -12.690) 14.039 37.641 ( -1.929 0.000 1.548) 2.473 37.842 ( 1.420 0.000 -3.596) 3.866 37.924 ( 10.868 0.000 7.218) 13.047 38.046 ( 0.623 0.000 10.116) 10.135 38.192 ( -9.033 0.000 4.750) 10.206 38.253 ( 10.734 0.000 2.416) 11.002 38.389 ( 2.488 0.000 6.968) 7.399 38.587 ( 12.627 0.000 -4.460) 13.392 38.648 ( 5.321 0.000 4.777) 7.151 38.649 ( 6.870 0.000 -0.899) 6.929 38.672 ( 12.681 0.000 -4.539) 13.469 38.917 ( -26.390 0.000 11.380) 28.739 39.069 ( -8.141 0.000 -7.001) 10.737 39.080 ( -14.846 0.000 -6.747) 16.307 39.119 ( -19.420 0.000 -2.875) 19.632 39.396 ( -17.154 0.000 -7.362) 18.667 ======================= Grid point 95 (48/84) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.761 ( -14.578 0.000 -8.354) 16.802 1.854 ( -3.290 0.000 -1.409) 3.578 2.139 ( -7.349 0.000 -3.547) 8.160 2.171 ( -4.216 0.000 -1.539) 4.488 2.266 ( 4.047 0.000 2.463) 4.738 2.303 ( -5.558 0.000 -6.786) 8.772 2.316 ( 0.991 0.000 -2.417) 2.612 2.465 ( 5.360 0.000 -6.470) 8.402 2.700 ( 3.050 0.000 0.168) 3.055 2.796 ( -2.566 0.000 -0.485) 2.611 2.852 ( 1.976 0.000 6.276) 6.579 2.908 ( -5.402 0.000 5.068) 7.407 2.956 ( 3.636 0.000 -0.501) 3.670 3.042 ( -7.044 0.000 -4.502) 8.360 3.215 ( 5.127 0.000 5.245) 7.334 3.445 ( -8.900 0.000 2.893) 9.359 3.489 ( 9.798 0.000 -3.646) 10.454 3.520 ( 5.112 0.000 2.072) 5.516 3.776 ( -8.562 0.000 7.238) 11.211 3.868 ( -4.014 0.000 0.355) 4.030 3.891 ( 3.308 0.000 -0.454) 3.339 4.027 ( -2.682 0.000 -1.211) 2.942 4.120 ( 6.663 0.000 0.528) 6.684 4.316 ( 9.206 0.000 -1.816) 9.383 4.407 ( -3.456 0.000 -8.499) 9.175 4.440 ( 1.981 0.000 -3.748) 4.239 4.526 ( -1.386 0.000 10.730) 10.819 4.677 ( -5.725 0.000 -0.187) 5.728 4.874 ( -8.260 0.000 0.610) 8.283 4.892 ( 3.453 0.000 3.364) 4.821 5.032 ( -3.382 0.000 0.944) 3.512 5.084 ( 0.473 0.000 -3.376) 3.409 5.129 ( -8.590 0.000 -5.214) 10.048 5.195 ( 7.230 0.000 -2.839) 7.767 5.411 ( 1.681 0.000 1.809) 2.469 5.413 ( -2.000 0.000 0.164) 2.007 5.445 ( -8.436 0.000 5.184) 9.901 5.526 ( 6.127 0.000 3.340) 6.979 5.567 ( -4.859 0.000 -3.303) 5.876 5.717 ( -0.600 0.000 -1.383) 1.507 5.789 ( -4.915 0.000 4.620) 6.745 5.810 ( -2.825 0.000 4.710) 5.492 5.970 ( -0.115 0.000 -0.018) 0.117 6.079 ( -2.809 0.000 -4.297) 5.133 6.084 ( -4.584 0.000 1.008) 4.693 6.156 ( 4.519 0.000 6.498) 7.915 6.331 ( -0.368 0.000 6.229) 6.240 6.451 ( 0.785 0.000 0.596) 0.986 6.498 ( -8.959 0.000 1.194) 9.039 6.580 ( 9.160 0.000 0.587) 9.179 6.655 ( 0.465 0.000 10.328) 10.338 6.752 ( -9.433 0.000 -3.934) 10.221 6.774 ( -3.747 0.000 -3.160) 4.901 6.882 ( 6.131 0.000 -6.097) 8.646 7.067 ( -0.316 0.000 1.584) 1.615 7.147 ( -8.848 0.000 -6.856) 11.193 7.204 ( -5.223 0.000 4.745) 7.057 7.280 ( -4.692 0.000 0.588) 4.729 7.371 ( -3.220 0.000 -0.389) 3.243 7.403 ( -11.508 0.000 0.155) 11.509 7.462 ( 1.366 0.000 -6.812) 6.948 7.506 ( -1.082 0.000 0.816) 1.355 7.526 ( -3.064 0.000 -0.342) 3.083 7.617 ( -0.186 0.000 7.982) 7.984 7.632 ( -4.078 0.000 1.782) 4.450 7.658 ( -1.015 0.000 1.497) 1.808 7.829 ( -0.407 0.000 2.037) 2.077 7.829 ( -6.745 0.000 -1.949) 7.020 7.926 ( -0.318 0.000 -4.626) 4.637 8.000 ( 7.347 0.000 -0.095) 7.348 8.067 ( -2.748 0.000 -5.657) 6.289 8.098 ( -3.870 0.000 -3.772) 5.404 8.122 ( 11.617 0.000 0.423) 11.625 8.167 ( -4.469 0.000 1.539) 4.726 8.201 ( 6.863 0.000 3.556) 7.730 8.213 ( -8.059 0.000 0.791) 8.097 8.329 ( -5.162 0.000 0.066) 5.162 8.413 ( -1.113 0.000 1.273) 1.691 8.484 ( 8.417 0.000 1.874) 8.623 8.557 ( 2.733 0.000 6.363) 6.925 8.593 ( -1.502 0.000 -0.841) 1.721 8.622 ( -3.112 0.000 5.184) 6.047 8.666 ( 2.023 0.000 -4.847) 5.252 8.721 ( -0.380 0.000 -1.335) 1.388 8.734 ( -2.471 0.000 -4.407) 5.053 8.816 ( 0.612 0.000 -0.321) 0.691 8.833 ( 3.567 0.000 6.616) 7.517 8.993 ( -1.938 0.000 1.118) 2.238 9.078 ( -4.993 0.000 -1.609) 5.246 9.101 ( 1.000 0.000 1.891) 2.139 9.134 ( 1.571 0.000 3.280) 3.637 9.135 ( 2.495 0.000 3.334) 4.164 9.248 ( 5.461 0.000 -1.011) 5.553 9.250 ( 6.449 0.000 -6.046) 8.840 9.444 ( -1.893 0.000 4.647) 5.018 9.534 ( 6.445 0.000 1.076) 6.534 9.567 ( 5.415 0.000 1.829) 5.715 9.595 ( 1.805 0.000 -0.522) 1.879 9.624 ( -1.519 0.000 -1.035) 1.838 9.653 ( -3.742 0.000 -5.277) 6.469 9.803 ( -6.762 0.000 5.292) 8.587 9.849 ( 1.700 0.000 -2.490) 3.015 9.974 ( 3.653 0.000 -0.572) 3.698 10.024 ( 11.631 0.000 0.203) 11.633 10.028 ( 1.676 0.000 3.951) 4.291 10.072 ( 12.619 0.000 -4.678) 13.458 10.437 ( 5.749 0.000 0.258) 5.755 10.461 ( -2.173 0.000 -10.462) 10.685 10.554 ( 4.302 0.000 -4.048) 5.908 10.722 ( 0.071 0.000 -7.476) 7.477 10.814 ( 2.681 0.000 8.402) 8.820 11.084 ( 2.844 0.000 -11.057) 11.417 11.418 ( 1.683 0.000 8.228) 8.398 11.592 ( -3.375 0.000 -6.040) 6.919 11.640 ( 9.904 0.000 8.023) 12.746 11.704 ( -5.854 0.000 -7.057) 9.169 12.673 ( -2.751 0.000 5.565) 6.208 12.766 ( 2.694 0.000 9.722) 10.088 12.855 ( -0.831 0.000 -3.160) 3.267 13.066 ( 1.987 0.000 -11.069) 11.246 13.869 ( -2.471 0.000 8.631) 8.978 13.927 ( 1.067 0.000 2.153) 2.403 14.005 ( -5.245 0.000 -1.795) 5.544 14.287 ( 6.535 0.000 -4.455) 7.909 14.374 ( -0.477 0.000 4.903) 4.926 14.470 ( 0.566 0.000 1.643) 1.738 14.580 ( 0.124 0.000 -6.291) 6.293 14.673 ( 3.598 0.000 -8.906) 9.605 16.295 ( -1.796 0.000 8.464) 8.653 16.334 ( -0.564 0.000 7.559) 7.580 16.582 ( 0.301 0.000 -5.834) 5.842 16.597 ( 1.188 0.000 -6.641) 6.746 16.982 ( 0.083 0.000 -0.751) 0.755 17.071 ( -0.300 0.000 0.015) 0.300 17.153 ( 2.537 0.000 -4.998) 5.604 17.193 ( 2.053 0.000 -8.995) 9.226 17.329 ( -1.372 0.000 -0.039) 1.373 17.415 ( -1.774 0.000 3.733) 4.133 17.480 ( -1.836 0.000 3.549) 3.996 17.492 ( -0.151 0.000 0.870) 0.882 17.517 ( 3.256 0.000 -1.433) 3.557 17.538 ( -1.526 0.000 5.747) 5.946 17.755 ( -1.056 0.000 -4.819) 4.933 17.787 ( 0.861 0.000 -4.681) 4.759 17.874 ( 1.174 0.000 3.586) 3.774 17.924 ( -1.091 0.000 8.363) 8.434 17.965 ( 5.217 0.000 -1.141) 5.341 17.971 ( -0.648 0.000 8.926) 8.950 18.024 ( -2.445 0.000 0.528) 2.501 18.119 ( -1.833 0.000 -5.124) 5.442 18.205 ( 1.382 0.000 -2.987) 3.291 18.233 ( -0.688 0.000 -7.788) 7.818 18.473 ( -1.310 0.000 5.782) 5.929 18.649 ( 0.459 0.000 -3.436) 3.467 18.693 ( -2.741 0.000 5.101) 5.791 18.755 ( -0.330 0.000 1.482) 1.518 21.194 ( -17.840 0.000 -0.423) 17.845 21.195 ( -17.955 0.000 0.031) 17.955 21.219 ( -17.229 0.000 -0.734) 17.245 21.370 ( -11.648 0.000 0.216) 11.650 21.371 ( -6.825 0.000 1.237) 6.937 21.565 ( 12.931 0.000 -2.522) 13.175 21.581 ( 12.850 0.000 -3.554) 13.333 21.597 ( 11.809 0.000 -2.107) 11.996 21.749 ( 6.205 0.000 1.255) 6.330 21.752 ( 9.115 0.000 3.093) 9.626 22.022 ( 6.189 0.000 7.912) 10.045 22.141 ( -1.715 0.000 -1.825) 2.505 26.952 ( -0.857 0.000 1.509) 1.735 26.970 ( -0.785 0.000 1.038) 1.301 27.015 ( 0.488 0.000 -1.397) 1.480 27.031 ( 0.866 0.000 -1.217) 1.494 27.480 ( -1.596 0.000 2.551) 3.009 27.499 ( 0.179 0.000 1.158) 1.172 27.511 ( 0.427 0.000 0.865) 0.965 27.541 ( 0.072 0.000 0.586) 0.591 27.715 ( -0.454 0.000 -1.694) 1.753 27.723 ( -0.604 0.000 -1.168) 1.315 27.750 ( 2.524 0.000 -0.883) 2.674 27.752 ( 1.224 0.000 -1.179) 1.700 36.828 ( 2.703 0.000 2.624) 3.767 36.861 ( 5.696 0.000 4.936) 7.537 36.920 ( -8.647 0.000 -3.667) 9.392 36.960 ( -3.239 0.000 -8.982) 9.548 37.088 ( 0.470 0.000 0.960) 1.069 37.152 ( -5.488 0.000 -5.173) 7.542 37.261 ( -4.602 0.000 -2.053) 5.039 37.310 ( -2.282 0.000 -0.250) 2.295 37.616 ( -2.445 0.000 2.948) 3.830 37.812 ( 0.567 0.000 -6.208) 6.234 37.949 ( -14.511 0.000 2.781) 14.775 38.013 ( -7.830 0.000 12.769) 14.979 38.312 ( 13.555 0.000 2.430) 13.771 38.366 ( -1.372 0.000 -2.533) 2.880 38.380 ( -7.440 0.000 6.640) 9.972 38.514 ( -19.397 0.000 5.133) 20.065 38.637 ( -10.809 0.000 2.242) 11.039 38.654 ( -9.398 0.000 1.758) 9.561 38.870 ( 12.998 0.000 -8.382) 15.466 38.919 ( 10.860 0.000 -1.078) 10.913 38.956 ( 5.059 0.000 -4.154) 6.546 39.044 ( 20.972 0.000 5.130) 21.590 39.210 ( 25.621 0.000 -2.634) 25.756 39.223 ( 10.987 0.000 -8.781) 14.065 ======================= Grid point 96 (49/84) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -15.838 0.000 6.790) 17.232 1.631 ( -20.608 0.000 3.516) 20.906 1.970 ( -6.228 0.000 -4.087) 7.449 2.093 ( -4.069 0.000 -0.645) 4.120 2.218 ( 5.773 0.000 2.099) 6.143 2.338 ( -6.328 0.000 3.092) 7.043 2.341 ( 1.646 0.000 0.904) 1.878 2.489 ( -3.065 0.000 -3.702) 4.806 2.710 ( 1.509 0.000 -3.423) 3.741 2.711 ( -0.101 0.000 -5.468) 5.469 2.873 ( -7.315 0.000 0.458) 7.329 2.904 ( 0.412 0.000 7.998) 8.009 2.936 ( -2.443 0.000 6.661) 7.095 3.066 ( 8.108 0.000 -6.370) 10.311 3.209 ( -12.071 0.000 3.395) 12.539 3.383 ( 6.385 0.000 1.019) 6.465 3.622 ( 5.579 0.000 -3.444) 6.556 3.634 ( -7.899 0.000 4.639) 9.161 3.710 ( 10.867 0.000 -0.326) 10.872 3.791 ( -0.916 0.000 -1.992) 2.192 3.894 ( -0.400 0.000 -4.752) 4.769 3.941 ( -3.917 0.000 1.098) 4.068 4.189 ( -3.121 0.000 4.937) 5.841 4.366 ( 6.317 0.000 -6.994) 9.425 4.370 ( 3.341 0.000 -7.889) 8.567 4.532 ( -7.807 0.000 1.126) 7.888 4.556 ( 4.810 0.000 5.073) 6.991 4.598 ( -1.152 0.000 7.552) 7.639 4.694 ( -7.886 0.000 -5.985) 9.900 4.828 ( -12.358 0.000 -6.349) 13.894 4.833 ( -8.274 0.000 -3.701) 9.064 4.992 ( -6.162 0.000 4.732) 7.770 5.059 ( -3.792 0.000 -1.014) 3.926 5.267 ( -8.230 0.000 0.384) 8.239 5.316 ( 5.820 0.000 3.832) 6.969 5.371 ( -8.832 0.000 6.559) 11.001 5.402 ( -1.910 0.000 -1.837) 2.649 5.491 ( 1.846 0.000 -5.844) 6.129 5.590 ( -6.031 0.000 -0.949) 6.105 5.677 ( -8.680 0.000 1.938) 8.893 5.723 ( 2.782 0.000 5.147) 5.851 5.803 ( -2.984 0.000 4.301) 5.235 5.919 ( -3.680 0.000 1.991) 4.184 5.981 ( -4.407 0.000 -1.865) 4.786 6.069 ( -2.147 0.000 5.267) 5.688 6.263 ( 2.221 0.000 -0.667) 2.319 6.305 ( -3.459 0.000 -4.930) 6.022 6.395 ( -4.580 0.000 1.814) 4.926 6.438 ( 0.889 0.000 1.552) 1.788 6.568 ( -10.482 0.000 -4.927) 11.583 6.639 ( -0.668 0.000 5.984) 6.021 6.669 ( -6.807 0.000 10.459) 12.479 6.687 ( -6.964 0.000 -3.298) 7.706 6.887 ( -0.155 0.000 2.899) 2.903 6.903 ( -10.717 0.000 -7.264) 12.947 7.015 ( -14.187 0.000 -1.552) 14.272 7.092 ( 1.974 0.000 3.224) 3.780 7.218 ( -4.817 0.000 1.618) 5.082 7.248 ( -1.234 0.000 5.418) 5.557 7.312 ( -8.301 0.000 -3.927) 9.183 7.358 ( -1.214 0.000 -5.121) 5.263 7.419 ( -6.983 0.000 -7.105) 9.963 7.443 ( -6.338 0.000 -0.525) 6.359 7.525 ( -6.301 0.000 -2.120) 6.648 7.597 ( -2.310 0.000 4.112) 4.716 7.730 ( -0.788 0.000 7.013) 7.057 7.742 ( -1.398 0.000 -1.093) 1.774 7.784 ( 0.375 0.000 3.148) 3.171 7.906 ( -2.522 0.000 -1.250) 2.814 7.935 ( -5.436 0.000 -1.065) 5.539 7.957 ( -3.026 0.000 2.981) 4.248 7.999 ( -11.002 0.000 6.285) 12.670 8.119 ( -5.472 0.000 0.445) 5.490 8.146 ( -0.667 0.000 3.991) 4.046 8.228 ( 1.022 0.000 -9.651) 9.705 8.250 ( 5.032 0.000 0.237) 5.038 8.394 ( 3.508 0.000 -2.533) 4.327 8.435 ( -0.556 0.000 1.482) 1.583 8.515 ( -2.214 0.000 3.472) 4.118 8.540 ( 1.702 0.000 -2.663) 3.160 8.582 ( -1.571 0.000 -7.784) 7.941 8.631 ( -0.689 0.000 4.268) 4.323 8.667 ( -0.010 0.000 5.003) 5.003 8.672 ( -3.256 0.000 -3.245) 4.597 8.818 ( 3.592 0.000 -1.321) 3.827 8.832 ( 10.299 0.000 2.456) 10.587 8.962 ( -2.489 0.000 -2.607) 3.604 8.973 ( 5.675 0.000 3.769) 6.813 9.079 ( 4.001 0.000 0.021) 4.001 9.128 ( 3.641 0.000 -4.274) 5.615 9.179 ( -2.740 0.000 2.252) 3.546 9.198 ( 3.443 0.000 -0.384) 3.465 9.321 ( 4.784 0.000 -3.018) 5.656 9.329 ( 2.983 0.000 -5.108) 5.915 9.462 ( 1.719 0.000 5.245) 5.519 9.525 ( -2.001 0.000 -6.742) 7.032 9.602 ( 2.676 0.000 -1.488) 3.063 9.657 ( 8.349 0.000 4.751) 9.606 9.705 ( 5.784 0.000 5.464) 7.957 9.773 ( 0.859 0.000 3.216) 3.329 9.796 ( 7.082 0.000 0.122) 7.083 9.885 ( 3.518 0.000 -3.210) 4.762 10.046 ( -0.193 0.000 2.264) 2.273 10.171 ( 17.494 0.000 1.383) 17.548 10.203 ( 3.581 0.000 -9.237) 9.907 10.267 ( 4.055 0.000 -3.493) 5.352 10.440 ( 16.545 0.000 -2.503) 16.734 10.617 ( 9.384 0.000 3.688) 10.083 10.673 ( 9.441 0.000 -1.815) 9.614 10.682 ( 1.227 0.000 -3.652) 3.853 10.947 ( 4.466 0.000 9.224) 10.248 11.061 ( 6.288 0.000 -15.240) 16.486 11.502 ( -1.642 0.000 -4.248) 4.554 11.561 ( 3.980 0.000 11.016) 11.713 11.608 ( 0.452 0.000 -3.847) 3.873 11.967 ( 14.621 0.000 9.180) 17.264 12.646 ( -3.757 0.000 3.628) 5.223 12.719 ( -8.095 0.000 -6.392) 10.314 12.869 ( -0.156 0.000 8.936) 8.937 12.990 ( 0.219 0.000 -15.340) 15.342 13.844 ( -7.053 0.000 5.818) 9.143 13.962 ( 3.100 0.000 -0.332) 3.117 14.011 ( 5.338 0.000 2.199) 5.773 14.365 ( 4.434 0.000 -2.362) 5.024 14.404 ( 0.122 0.000 3.907) 3.909 14.519 ( 1.219 0.000 4.832) 4.983 14.557 ( 2.851 0.000 -6.170) 6.797 14.677 ( 4.719 0.000 -9.097) 10.247 16.324 ( -2.918 0.000 8.789) 9.260 16.369 ( -2.084 0.000 7.666) 7.944 16.520 ( -0.725 0.000 -7.592) 7.626 16.539 ( -0.290 0.000 -9.037) 9.042 16.964 ( -1.145 0.000 -0.662) 1.322 17.065 ( -0.508 0.000 0.553) 0.751 17.126 ( 1.278 0.000 -13.514) 13.574 17.163 ( 1.848 0.000 -3.754) 4.184 17.342 ( 0.601 0.000 4.175) 4.218 17.412 ( -0.366 0.000 0.053) 0.370 17.461 ( -4.589 0.000 6.005) 7.558 17.492 ( -0.645 0.000 3.619) 3.676 17.554 ( 1.844 0.000 -3.047) 3.561 17.577 ( 0.648 0.000 4.758) 4.802 17.710 ( 0.067 0.000 -2.377) 2.378 17.780 ( 1.897 0.000 -3.992) 4.420 17.903 ( 0.016 0.000 -1.595) 1.595 17.941 ( -1.318 0.000 -1.813) 2.241 17.984 ( -0.276 0.000 4.982) 4.990 18.018 ( -1.092 0.000 5.350) 5.460 18.074 ( 3.208 0.000 2.954) 4.360 18.100 ( 1.504 0.000 4.175) 4.437 18.153 ( -0.508 0.000 -8.338) 8.354 18.225 ( 2.428 0.000 -1.475) 2.841 18.496 ( -1.347 0.000 5.867) 6.020 18.630 ( 0.603 0.000 -3.519) 3.570 18.692 ( -1.604 0.000 5.412) 5.645 18.770 ( 0.289 0.000 2.280) 2.298 20.831 ( -18.964 0.000 0.166) 18.965 20.834 ( -18.886 0.000 0.224) 18.887 20.865 ( -18.848 0.000 0.590) 18.857 21.033 ( -19.910 0.000 -1.158) 19.944 21.079 ( -19.588 0.000 -0.602) 19.598 21.762 ( 6.899 0.000 -3.722) 7.839 21.794 ( 10.950 0.000 -0.997) 10.996 21.810 ( 10.849 0.000 -1.448) 10.945 21.927 ( 5.356 0.000 -1.144) 5.477 21.929 ( 8.190 0.000 1.443) 8.316 22.068 ( 0.103 0.000 -7.875) 7.875 22.152 ( 2.608 0.000 4.035) 4.805 26.948 ( -1.073 0.000 1.473) 1.822 26.964 ( -0.650 0.000 1.199) 1.364 27.016 ( 0.635 0.000 -1.021) 1.202 27.031 ( 0.288 0.000 -1.391) 1.421 27.473 ( -1.317 0.000 2.796) 3.091 27.518 ( 0.858 0.000 1.202) 1.477 27.528 ( 0.769 0.000 0.181) 0.790 27.548 ( 0.182 0.000 0.465) 0.499 27.680 ( -1.052 0.000 -2.048) 2.303 27.709 ( 0.372 0.000 -1.797) 1.835 27.789 ( 2.735 0.000 -0.387) 2.763 27.793 ( 2.447 0.000 -0.530) 2.504 36.721 ( -7.148 0.000 -4.507) 8.450 36.825 ( -3.250 0.000 -7.466) 8.143 36.909 ( 1.904 0.000 4.284) 4.688 37.028 ( -3.534 0.000 -0.696) 3.602 37.055 ( 5.462 0.000 11.233) 12.491 37.131 ( 1.562 0.000 7.914) 8.067 37.169 ( -6.087 0.000 2.329) 6.518 37.255 ( -3.476 0.000 1.159) 3.664 37.598 ( -3.467 0.000 5.856) 6.805 37.705 ( -9.860 0.000 -0.644) 9.881 37.789 ( -0.488 0.000 -3.149) 3.187 37.909 ( -11.616 0.000 8.787) 14.565 38.150 ( -10.725 0.000 6.322) 12.450 38.230 ( -9.593 0.000 3.084) 10.076 38.232 ( -8.658 0.000 -2.992) 9.160 38.440 ( -5.525 0.000 -3.005) 6.289 38.440 ( -9.390 0.000 -1.029) 9.446 38.733 ( 15.516 0.000 -2.652) 15.741 39.023 ( 12.041 0.000 -12.858) 17.616 39.100 ( 12.937 0.000 3.856) 13.499 39.259 ( 17.141 0.000 7.046) 18.533 39.571 ( 25.188 0.000 -3.800) 25.473 39.574 ( 28.333 0.000 2.321) 28.427 39.768 ( 31.194 0.000 -0.261) 31.195 ======================= Grid point 97 (50/84) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( -23.346 0.000 10.882) 25.758 1.286 ( -13.499 0.000 20.930) 24.906 1.833 ( -3.094 0.000 -8.779) 9.309 1.992 ( -6.715 0.000 -0.182) 6.717 2.155 ( -10.129 0.000 3.015) 10.569 2.161 ( -27.336 0.000 8.494) 28.625 2.341 ( -2.224 0.000 -0.064) 2.225 2.457 ( 8.819 0.000 7.239) 11.410 2.555 ( -9.051 0.000 -9.899) 13.413 2.713 ( -3.019 0.000 -0.878) 3.144 2.829 ( 5.668 0.000 -1.657) 5.905 2.961 ( 4.080 0.000 6.476) 7.654 3.007 ( 1.064 0.000 8.130) 8.200 3.143 ( 0.194 0.000 -3.051) 3.057 3.182 ( 9.030 0.000 -6.217) 10.963 3.433 ( 1.718 0.000 -4.045) 4.394 3.556 ( -4.228 0.000 2.602) 4.965 3.685 ( 3.831 0.000 -1.170) 4.006 3.756 ( 2.896 0.000 -11.293) 11.659 3.819 ( 1.945 0.000 3.760) 4.233 3.900 ( -1.421 0.000 1.312) 1.935 4.011 ( 9.327 0.000 2.577) 9.677 4.178 ( -2.518 0.000 6.615) 7.078 4.285 ( -6.194 0.000 -1.858) 6.467 4.351 ( -3.663 0.000 -9.554) 10.232 4.457 ( -2.983 0.000 -2.047) 3.618 4.498 ( -7.902 0.000 -4.190) 8.944 4.558 ( -12.355 0.000 -0.026) 12.355 4.574 ( -6.231 0.000 3.856) 7.328 4.632 ( 0.030 0.000 -3.317) 3.317 4.673 ( 1.055 0.000 0.489) 1.163 4.833 ( -11.457 0.000 2.544) 11.736 4.982 ( -3.676 0.000 0.832) 3.769 5.161 ( -4.547 0.000 4.749) 6.575 5.245 ( -6.971 0.000 2.972) 7.579 5.296 ( -9.659 0.000 -0.124) 9.660 5.384 ( -7.028 0.000 -7.363) 10.178 5.444 ( -1.889 0.000 -9.900) 10.079 5.456 ( 1.822 0.000 8.751) 8.939 5.555 ( -4.678 0.000 3.189) 5.661 5.785 ( -0.144 0.000 0.656) 0.672 5.795 ( -1.033 0.000 6.313) 6.397 5.890 ( -3.984 0.000 3.429) 5.257 5.898 ( -4.406 0.000 1.464) 4.643 6.040 ( -2.886 0.000 2.083) 3.559 6.171 ( -7.724 0.000 3.505) 8.482 6.193 ( -1.952 0.000 -9.257) 9.461 6.280 ( -4.443 0.000 -7.996) 9.148 6.358 ( -19.460 0.000 -5.681) 20.273 6.421 ( -3.820 0.000 4.564) 5.952 6.519 ( -9.246 0.000 2.799) 9.661 6.580 ( 2.786 0.000 6.943) 7.481 6.621 ( -10.057 0.000 -8.779) 13.350 6.747 ( -10.875 0.000 7.241) 13.065 6.771 ( 4.106 0.000 6.095) 7.349 6.900 ( -4.392 0.000 3.152) 5.407 7.080 ( -8.721 0.000 1.111) 8.792 7.084 ( -11.547 0.000 -13.557) 17.808 7.149 ( -2.381 0.000 -5.942) 6.401 7.211 ( 3.609 0.000 2.295) 4.277 7.261 ( -3.373 0.000 -4.470) 5.600 7.339 ( 0.901 0.000 -2.492) 2.650 7.354 ( -5.710 0.000 -5.888) 8.202 7.375 ( 1.896 0.000 2.653) 3.261 7.645 ( -8.213 0.000 -0.018) 8.213 7.652 ( -1.826 0.000 3.834) 4.247 7.733 ( -0.311 0.000 3.935) 3.947 7.812 ( -6.290 0.000 0.944) 6.360 7.854 ( -6.974 0.000 6.727) 9.690 7.859 ( 0.686 0.000 -0.285) 0.742 7.892 ( 2.420 0.000 7.201) 7.597 7.981 ( -2.765 0.000 2.655) 3.833 8.024 ( -7.490 0.000 4.362) 8.668 8.168 ( 0.373 0.000 -1.464) 1.511 8.204 ( -7.162 0.000 -1.091) 7.245 8.233 ( 3.930 0.000 -0.676) 3.988 8.358 ( 1.582 0.000 -4.306) 4.587 8.386 ( -2.816 0.000 -5.467) 6.150 8.467 ( -0.744 0.000 -7.703) 7.739 8.539 ( 0.706 0.000 -10.880) 10.903 8.582 ( -2.317 0.000 3.317) 4.046 8.639 ( -0.704 0.000 3.693) 3.760 8.642 ( 2.699 0.000 4.032) 4.852 8.707 ( 1.696 0.000 4.719) 5.014 8.901 ( 0.917 0.000 3.075) 3.208 8.944 ( 3.183 0.000 0.392) 3.208 8.995 ( 4.910 0.000 -3.430) 5.990 9.090 ( 4.842 0.000 -1.297) 5.012 9.093 ( -4.740 0.000 -1.974) 5.135 9.150 ( 4.425 0.000 -0.977) 4.532 9.192 ( 6.237 0.000 -2.857) 6.860 9.255 ( 4.445 0.000 -5.854) 7.351 9.290 ( 2.050 0.000 -8.254) 8.505 9.378 ( 2.213 0.000 -0.685) 2.317 9.492 ( 2.764 0.000 -1.392) 3.095 9.589 ( 4.517 0.000 5.088) 6.804 9.674 ( -2.888 0.000 -9.654) 10.077 9.697 ( 5.496 0.000 3.545) 6.540 9.819 ( 0.123 0.000 -0.432) 0.449 9.863 ( 1.506 0.000 1.464) 2.100 9.881 ( 5.450 0.000 7.606) 9.357 9.964 ( 2.281 0.000 1.914) 2.977 10.102 ( 2.403 0.000 -8.106) 8.455 10.203 ( 12.278 0.000 2.013) 12.442 10.357 ( -0.120 0.000 5.307) 5.309 10.579 ( 20.172 0.000 4.543) 20.677 10.688 ( 12.704 0.000 -8.637) 15.362 10.788 ( 4.172 0.000 6.242) 7.508 10.821 ( 12.312 0.000 2.247) 12.515 10.887 ( 13.619 0.000 -4.108) 14.225 11.099 ( 10.629 0.000 -13.347) 17.063 11.143 ( 6.958 0.000 6.818) 9.742 11.494 ( 3.662 0.000 7.639) 8.471 11.651 ( 6.320 0.000 -1.009) 6.400 11.719 ( 2.304 0.000 10.823) 11.066 12.267 ( 8.643 0.000 4.420) 9.708 12.479 ( -11.033 0.000 -4.997) 12.112 12.597 ( -3.590 0.000 2.044) 4.132 12.809 ( -5.331 0.000 -15.958) 16.824 12.908 ( -2.956 0.000 8.012) 8.540 13.761 ( -5.052 0.000 4.654) 6.869 14.068 ( 7.088 0.000 0.703) 7.123 14.139 ( 6.966 0.000 -1.834) 7.203 14.425 ( 3.198 0.000 -0.895) 3.321 14.443 ( 0.434 0.000 3.861) 3.886 14.577 ( 4.596 0.000 -7.674) 8.946 14.584 ( 0.682 0.000 6.134) 6.172 14.718 ( 6.038 0.000 -5.627) 8.253 16.295 ( -5.493 0.000 3.573) 6.553 16.409 ( -0.179 0.000 7.539) 7.541 16.430 ( -0.699 0.000 -11.313) 11.334 16.460 ( 0.061 0.000 -7.969) 7.970 16.940 ( -1.117 0.000 0.910) 1.440 17.032 ( 0.224 0.000 -11.909) 11.911 17.065 ( -0.175 0.000 1.800) 1.809 17.167 ( 1.998 0.000 -4.064) 4.529 17.382 ( -1.981 0.000 -0.814) 2.142 17.404 ( 1.695 0.000 4.456) 4.768 17.436 ( -3.450 0.000 6.846) 7.666 17.524 ( -0.435 0.000 6.165) 6.180 17.531 ( -0.387 0.000 -4.496) 4.513 17.630 ( 1.265 0.000 3.606) 3.821 17.722 ( 2.254 0.000 -1.368) 2.636 17.791 ( 1.920 0.000 -2.766) 3.367 17.856 ( -1.202 0.000 -3.533) 3.732 17.899 ( -0.153 0.000 -3.825) 3.828 18.030 ( 0.178 0.000 5.371) 5.374 18.059 ( -1.769 0.000 -6.836) 7.061 18.070 ( 1.748 0.000 4.915) 5.216 18.149 ( 2.435 0.000 1.902) 3.090 18.208 ( 3.210 0.000 6.683) 7.414 18.268 ( 2.376 0.000 0.297) 2.394 18.515 ( -1.679 0.000 5.512) 5.762 18.617 ( 0.862 0.000 -3.039) 3.159 18.727 ( 0.393 0.000 6.252) 6.264 18.805 ( 1.141 0.000 3.083) 3.288 20.487 ( -16.266 0.000 0.428) 16.271 20.489 ( -16.499 0.000 0.080) 16.499 20.521 ( -17.104 0.000 1.582) 17.177 20.627 ( -19.952 0.000 -1.429) 20.003 20.670 ( -20.813 0.000 -1.292) 20.853 21.524 ( -19.968 0.000 -28.653) 34.924 21.963 ( 7.142 0.000 -0.209) 7.145 21.977 ( 7.187 0.000 -0.594) 7.211 21.996 ( 6.208 0.000 -1.987) 6.519 22.063 ( 4.790 0.000 0.744) 4.847 22.113 ( 4.058 0.000 0.253) 4.066 22.204 ( 0.592 0.000 1.749) 1.846 26.935 ( -1.192 0.000 1.051) 1.589 26.968 ( -0.338 0.000 1.901) 1.931 27.019 ( 0.157 0.000 -1.138) 1.149 27.025 ( 0.415 0.000 -0.717) 0.829 27.475 ( -0.834 0.000 2.752) 2.876 27.543 ( 0.900 0.000 -0.009) 0.900 27.551 ( 1.497 0.000 0.827) 1.710 27.556 ( -0.040 0.000 1.371) 1.371 27.647 ( -0.501 0.000 -2.272) 2.327 27.705 ( 0.892 0.000 -2.338) 2.503 27.836 ( 2.262 0.000 0.147) 2.267 27.844 ( 2.925 0.000 0.009) 2.925 36.583 ( -4.122 0.000 -2.371) 4.755 36.717 ( -2.298 0.000 -5.778) 6.218 36.936 ( -1.161 0.000 2.052) 2.358 37.031 ( -1.753 0.000 6.589) 6.818 37.083 ( -3.370 0.000 5.223) 6.216 37.096 ( -2.423 0.000 2.638) 3.582 37.201 ( -3.404 0.000 2.541) 4.248 37.347 ( 3.372 0.000 10.195) 10.738 37.521 ( -8.727 0.000 4.199) 9.685 37.537 ( -6.677 0.000 -0.703) 6.714 37.767 ( 0.469 0.000 -2.710) 2.750 37.812 ( -2.854 0.000 6.876) 7.445 38.058 ( -7.132 0.000 0.184) 7.135 38.100 ( -5.880 0.000 1.364) 6.036 38.198 ( -2.757 0.000 3.901) 4.777 38.343 ( -0.687 0.000 -8.265) 8.293 38.410 ( 11.856 0.000 25.492) 28.114 38.955 ( 16.564 0.000 -0.584) 16.574 39.108 ( 8.877 0.000 -16.371) 18.623 39.500 ( 17.749 0.000 14.808) 23.115 39.642 ( 14.853 0.000 9.156) 17.448 40.048 ( 25.828 0.000 -2.814) 25.981 40.113 ( 26.463 0.000 -2.664) 26.596 40.362 ( 28.137 0.000 1.859) 28.198 ======================= Grid point 98 (51/84) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( -14.850 0.000 22.588) 27.032 1.094 ( -25.751 0.000 17.836) 31.325 1.703 ( 2.577 0.000 -10.515) 10.826 1.836 ( -5.646 0.000 -6.053) 8.278 1.949 ( -5.923 0.000 26.686) 27.335 2.040 ( -5.433 0.000 5.051) 7.419 2.259 ( -12.332 0.000 -4.874) 13.260 2.320 ( 0.048 0.000 -0.005) 0.048 2.437 ( -7.484 0.000 -1.886) 7.718 2.816 ( 3.978 0.000 -3.014) 4.991 2.949 ( 9.820 0.000 5.084) 11.057 2.989 ( -5.583 0.000 6.413) 8.503 3.079 ( 1.124 0.000 -4.670) 4.804 3.230 ( 9.657 0.000 4.683) 10.732 3.237 ( 1.250 0.000 -9.234) 9.319 3.473 ( 5.618 0.000 -1.371) 5.783 3.549 ( 4.712 0.000 -2.693) 5.427 3.691 ( -2.829 0.000 -0.999) 3.000 3.750 ( 4.864 0.000 -8.276) 9.599 3.830 ( -2.698 0.000 4.869) 5.567 3.932 ( -2.275 0.000 0.158) 2.280 3.997 ( -12.201 0.000 -5.234) 13.276 4.168 ( 2.089 0.000 -7.261) 7.555 4.193 ( -4.407 0.000 5.447) 7.007 4.223 ( -3.332 0.000 3.016) 4.494 4.295 ( -7.511 0.000 -2.197) 7.826 4.338 ( -5.586 0.000 2.744) 6.224 4.420 ( -4.144 0.000 3.406) 5.364 4.529 ( -3.523 0.000 5.880) 6.855 4.628 ( -4.742 0.000 0.677) 4.791 4.642 ( 4.123 0.000 -5.405) 6.798 4.757 ( 1.637 0.000 1.726) 2.379 4.941 ( -1.643 0.000 2.211) 2.754 5.089 ( -9.332 0.000 1.040) 9.389 5.100 ( -6.503 0.000 2.747) 7.059 5.230 ( 0.411 0.000 3.560) 3.584 5.243 ( -2.119 0.000 -8.073) 8.347 5.270 ( -5.824 0.000 -4.969) 7.656 5.518 ( -1.384 0.000 7.187) 7.319 5.523 ( -2.201 0.000 2.862) 3.610 5.739 ( -4.230 0.000 -0.553) 4.266 5.798 ( -3.802 0.000 -3.543) 5.197 5.809 ( -3.240 0.000 -1.832) 3.722 5.855 ( 1.112 0.000 3.201) 3.388 5.943 ( -16.776 0.000 4.297) 17.318 6.000 ( -4.321 0.000 0.296) 4.331 6.067 ( -0.212 0.000 -4.668) 4.673 6.142 ( 1.033 0.000 -5.023) 5.128 6.223 ( -2.990 0.000 4.897) 5.738 6.341 ( -8.235 0.000 2.999) 8.764 6.355 ( -2.187 0.000 -3.655) 4.259 6.405 ( -8.607 0.000 1.785) 8.790 6.602 ( -8.930 0.000 2.894) 9.387 6.688 ( -7.831 0.000 -4.326) 8.946 6.766 ( 2.457 0.000 1.968) 3.148 6.864 ( 2.885 0.000 4.364) 5.231 6.885 ( 1.129 0.000 -7.856) 7.937 6.968 ( -1.195 0.000 -4.762) 4.910 7.071 ( -1.647 0.000 -7.796) 7.968 7.195 ( -2.429 0.000 1.502) 2.856 7.257 ( 1.469 0.000 -4.068) 4.325 7.320 ( -2.698 0.000 3.654) 4.543 7.326 ( 4.608 0.000 -0.155) 4.611 7.412 ( -0.868 0.000 -3.876) 3.972 7.510 ( -8.855 0.000 -3.028) 9.359 7.521 ( -1.210 0.000 -1.044) 1.598 7.663 ( -5.014 0.000 1.594) 5.261 7.746 ( -17.076 0.000 -6.868) 18.405 7.833 ( 1.451 0.000 2.173) 2.613 7.876 ( -10.166 0.000 7.261) 12.493 7.895 ( 0.454 0.000 4.046) 4.072 7.900 ( 1.924 0.000 10.270) 10.449 7.971 ( -1.081 0.000 6.731) 6.817 8.135 ( -0.815 0.000 -0.294) 0.866 8.147 ( 1.177 0.000 -14.782) 14.828 8.215 ( -0.719 0.000 7.992) 8.024 8.317 ( -1.165 0.000 -6.963) 7.059 8.320 ( -2.076 0.000 -2.608) 3.333 8.434 ( 2.538 0.000 -4.172) 4.883 8.524 ( 3.854 0.000 -5.183) 6.459 8.533 ( -4.617 0.000 4.278) 6.294 8.649 ( -1.046 0.000 3.926) 4.063 8.737 ( -1.215 0.000 -0.782) 1.445 8.758 ( 4.804 0.000 -1.021) 4.912 8.918 ( -0.214 0.000 3.355) 3.362 8.961 ( 0.349 0.000 -12.893) 12.898 8.990 ( -2.685 0.000 -2.563) 3.712 9.048 ( 4.510 0.000 2.511) 5.162 9.151 ( 2.894 0.000 -1.448) 3.236 9.219 ( 1.634 0.000 -1.708) 2.364 9.254 ( 2.374 0.000 -5.926) 6.384 9.284 ( 3.363 0.000 -4.967) 5.998 9.318 ( 3.820 0.000 -1.998) 4.311 9.398 ( 0.049 0.000 -2.238) 2.238 9.563 ( 1.829 0.000 1.012) 2.090 9.587 ( 2.729 0.000 1.231) 2.994 9.666 ( 1.905 0.000 -1.592) 2.483 9.771 ( -0.389 0.000 -2.718) 2.745 9.850 ( 5.152 0.000 5.474) 7.517 9.887 ( -0.058 0.000 3.614) 3.614 10.025 ( 2.977 0.000 -0.893) 3.108 10.043 ( 3.919 0.000 8.331) 9.206 10.121 ( 0.111 0.000 -0.107) 0.154 10.374 ( 4.501 0.000 -0.954) 4.601 10.426 ( 3.178 0.000 7.348) 8.006 10.837 ( -1.265 0.000 3.356) 3.586 10.843 ( 10.005 0.000 -8.565) 13.170 10.996 ( 13.971 0.000 3.121) 14.316 11.025 ( 5.893 0.000 -7.380) 9.445 11.037 ( 7.642 0.000 1.518) 7.791 11.216 ( 1.674 0.000 -1.990) 2.601 11.254 ( 12.772 0.000 -7.075) 14.601 11.803 ( -2.798 0.000 10.042) 10.424 11.849 ( 14.100 0.000 0.769) 14.121 11.941 ( 21.468 0.000 17.247) 27.538 12.243 ( -9.740 0.000 0.242) 9.743 12.355 ( 1.932 0.000 -4.670) 5.054 12.533 ( -4.570 0.000 0.850) 4.648 12.582 ( -3.171 0.000 -6.489) 7.222 12.878 ( -7.332 0.000 7.373) 10.398 13.739 ( -2.348 0.000 7.172) 7.546 14.225 ( 7.485 0.000 1.247) 7.588 14.230 ( 5.532 0.000 -6.012) 8.170 14.468 ( 2.595 0.000 -3.009) 3.974 14.472 ( -0.511 0.000 2.595) 2.645 14.590 ( 2.662 0.000 -7.396) 7.860 14.643 ( 0.146 0.000 6.224) 6.225 14.808 ( 6.090 0.000 -2.968) 6.775 16.187 ( -6.214 0.000 -0.583) 6.241 16.325 ( 0.281 0.000 -11.935) 11.938 16.417 ( 2.404 0.000 -8.137) 8.484 16.442 ( -0.718 0.000 -1.398) 1.572 16.933 ( -1.167 0.000 1.921) 2.248 16.954 ( 0.234 0.000 -7.506) 7.510 17.089 ( 0.577 0.000 0.708) 0.914 17.177 ( 2.709 0.000 -4.528) 5.277 17.359 ( -2.086 0.000 3.879) 4.404 17.426 ( -0.891 0.000 2.528) 2.680 17.458 ( 0.351 0.000 1.179) 1.230 17.494 ( 0.552 0.000 -2.393) 2.456 17.567 ( -1.613 0.000 8.704) 8.852 17.691 ( 2.558 0.000 2.324) 3.456 17.760 ( 2.612 0.000 -1.461) 2.993 17.798 ( 0.780 0.000 -2.158) 2.295 17.848 ( 1.708 0.000 2.146) 2.743 17.874 ( 0.725 0.000 -3.897) 3.964 17.961 ( -2.594 0.000 -6.111) 6.639 18.077 ( 0.769 0.000 3.864) 3.939 18.155 ( 2.999 0.000 3.398) 4.532 18.196 ( 1.146 0.000 0.807) 1.402 18.317 ( 1.652 0.000 1.723) 2.387 18.323 ( 2.891 0.000 5.917) 6.585 18.520 ( -2.015 0.000 4.539) 4.967 18.613 ( 1.126 0.000 -2.432) 2.680 18.804 ( 1.451 0.000 6.761) 6.915 18.861 ( 1.408 0.000 3.751) 4.007 20.218 ( -10.883 0.000 -0.216) 10.885 20.233 ( -9.759 0.000 0.050) 9.759 20.258 ( -10.590 0.000 1.015) 10.638 20.287 ( -12.981 0.000 -0.543) 12.993 20.307 ( -14.311 0.000 -0.508) 14.320 20.657 ( -39.166 0.000 -22.442) 45.140 22.069 ( 3.803 0.000 0.296) 3.815 22.078 ( 3.599 0.000 -0.223) 3.606 22.086 ( 3.641 0.000 -0.475) 3.672 22.130 ( 1.874 0.000 0.156) 1.880 22.173 ( 1.686 0.000 0.672) 1.815 22.214 ( -0.467 0.000 0.835) 0.957 26.924 ( -0.805 0.000 1.228) 1.469 26.979 ( -0.247 0.000 2.124) 2.138 27.009 ( 0.001 0.000 -1.284) 1.284 27.030 ( 0.291 0.000 -0.142) 0.324 27.485 ( -0.536 0.000 2.820) 2.871 27.562 ( -0.482 0.000 1.522) 1.596 27.567 ( 1.154 0.000 0.728) 1.365 27.588 ( 0.922 0.000 1.320) 1.610 27.627 ( 0.566 0.000 -2.370) 2.437 27.703 ( 1.005 0.000 -2.742) 2.920 27.882 ( 1.906 0.000 0.700) 2.031 27.894 ( 2.090 0.000 0.064) 2.091 36.519 ( -1.417 0.000 -0.484) 1.498 36.642 ( -0.966 0.000 -4.789) 4.885 36.945 ( -0.297 0.000 4.198) 4.208 36.991 ( -3.303 0.000 3.468) 4.790 37.065 ( -1.932 0.000 1.335) 2.348 37.149 ( -0.004 0.000 9.149) 9.149 37.168 ( -2.341 0.000 3.179) 3.948 37.308 ( -5.967 0.000 -1.786) 6.229 37.452 ( -1.842 0.000 1.392) 2.308 37.468 ( -2.139 0.000 5.464) 5.867 37.763 ( 1.037 0.000 -1.442) 1.777 37.859 ( -0.848 0.000 7.217) 7.267 37.968 ( -3.339 0.000 2.191) 3.994 38.016 ( -3.174 0.000 -0.047) 3.174 38.125 ( -3.177 0.000 3.606) 4.806 38.262 ( 0.234 0.000 -10.439) 10.441 38.672 ( 5.274 0.000 -15.645) 16.510 39.090 ( 4.184 0.000 -18.997) 19.453 39.746 ( 24.660 0.000 21.605) 32.785 39.956 ( 9.256 0.000 9.075) 12.963 40.084 ( 35.263 0.000 19.574) 40.332 40.510 ( 16.712 0.000 -5.003) 17.445 40.530 ( 29.267 0.000 3.466) 29.472 40.815 ( 15.814 0.000 1.019) 15.847 ======================= Grid point 99 (52/84) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( 2.398 14.563 17.613) 22.979 1.223 ( 0.967 13.029 25.149) 28.340 1.604 ( 0.247 -9.992 10.603) 14.571 1.696 ( 7.736 -10.031 -2.864) 12.987 2.098 ( -5.316 4.898 -0.318) 7.235 2.159 ( 5.156 19.445 -19.219) 27.822 2.265 ( -4.816 2.349 1.978) 5.712 2.347 ( 4.024 7.855 2.632) 9.210 2.478 ( 3.707 0.838 10.663) 11.320 2.742 ( -0.475 -4.184 -16.042) 16.586 2.926 ( -3.751 3.899 0.821) 5.473 3.063 ( -0.098 1.723 -3.213) 3.647 3.231 ( -0.278 9.926 3.782) 10.626 3.292 ( 5.493 0.348 6.022) 8.158 3.392 ( -1.147 0.795 3.283) 3.568 3.453 ( -2.521 4.064 -4.072) 6.281 3.520 ( 5.783 -9.899 -1.743) 11.596 3.668 ( 0.685 -1.923 2.099) 2.928 3.727 ( -3.365 -3.099 -2.973) 5.456 3.821 ( 4.270 0.613 2.442) 4.957 3.863 ( 0.505 1.149 -4.284) 4.464 3.962 ( -3.013 4.836 1.633) 5.927 4.018 ( 0.070 -4.972 3.770) 6.240 4.059 ( -4.831 -1.853 5.175) 7.318 4.084 ( -8.825 0.962 4.955) 10.167 4.279 ( 1.881 0.018 1.355) 2.319 4.334 ( 2.772 -7.086 2.195) 7.919 4.448 ( -1.483 -2.682 -1.690) 3.500 4.483 ( 0.550 -1.481 0.857) 1.797 4.547 ( 2.565 1.134 1.189) 3.045 4.686 ( 1.098 -2.167 -5.039) 5.594 4.800 ( 2.808 -3.602 -2.948) 5.436 4.857 ( -9.040 -5.977 4.660) 11.797 4.926 ( -3.260 -4.076 0.558) 5.249 5.065 ( 0.794 5.615 3.843) 6.850 5.139 ( 1.737 1.500 1.416) 2.697 5.158 ( -0.209 0.608 -7.795) 7.822 5.291 ( 2.727 -6.857 6.876) 10.086 5.487 ( 1.941 -1.644 -5.302) 5.881 5.537 ( 0.035 -1.434 0.643) 1.572 5.700 ( -2.531 5.703 4.170) 7.505 5.743 ( 0.322 1.008 0.079) 1.061 5.796 ( -5.589 4.393 5.429) 8.944 5.839 ( 2.483 0.967 -0.611) 2.734 5.913 ( 0.310 -0.755 -1.570) 1.769 5.957 ( -2.720 3.599 -0.690) 4.563 6.049 ( 3.361 -4.352 -1.966) 5.840 6.072 ( 2.580 1.171 -4.127) 5.006 6.121 ( -3.356 -4.600 -3.126) 6.496 6.290 ( -0.142 -2.100 3.792) 4.337 6.329 ( -0.020 -2.140 8.082) 8.361 6.415 ( -2.598 0.841 -6.144) 6.723 6.450 ( -4.368 4.203 2.306) 6.485 6.587 ( 0.992 6.935 -4.858) 8.525 6.794 ( 0.256 -1.788 -5.054) 5.367 6.848 ( 1.774 -5.932 -2.090) 6.535 6.961 ( 4.918 1.268 2.190) 5.531 6.985 ( -1.594 -1.527 3.530) 4.164 7.032 ( 4.616 0.198 -3.128) 5.579 7.140 ( -2.092 -1.690 -6.910) 7.415 7.198 ( -3.699 2.448 -3.224) 5.484 7.245 ( 0.792 1.617 -2.050) 2.728 7.299 ( -3.547 -0.836 3.342) 4.944 7.407 ( -1.994 -6.472 1.589) 6.957 7.431 ( 3.787 -1.200 4.445) 5.962 7.494 ( -1.407 6.732 -4.005) 7.959 7.596 ( -1.248 5.474 1.036) 5.709 7.661 ( 0.077 3.692 2.699) 4.573 7.739 ( -0.941 -5.546 4.811) 7.402 7.821 ( -0.066 -3.786 -2.139) 4.349 7.930 ( 1.113 -3.329 5.004) 6.112 7.956 ( -0.629 -0.599 -2.023) 2.201 8.015 ( -0.550 -0.118 2.168) 2.239 8.031 ( 1.174 -1.398 3.591) 4.028 8.096 ( -2.532 -4.027 -0.852) 4.833 8.198 ( -1.069 1.438 -4.515) 4.857 8.233 ( -2.946 0.401 -0.560) 3.026 8.339 ( 1.014 3.209 0.110) 3.367 8.436 ( 2.040 -4.021 0.523) 4.539 8.517 ( 0.249 2.054 0.549) 2.141 8.552 ( 1.067 -4.783 1.284) 5.066 8.609 ( -1.749 -3.580 -0.720) 4.049 8.751 ( 2.088 5.141 -6.190) 8.313 8.805 ( -0.562 3.627 -7.275) 8.148 8.832 ( -0.055 0.092 -3.717) 3.718 8.929 ( -1.637 -3.125 -0.645) 3.586 8.999 ( -1.907 -3.461 0.634) 4.002 9.066 ( 1.770 3.401 3.566) 5.236 9.107 ( 0.665 -2.933 0.947) 3.153 9.148 ( -1.213 -3.742 -3.113) 5.017 9.258 ( 0.567 2.992 -3.240) 4.447 9.287 ( 1.189 1.914 -4.622) 5.141 9.479 ( -0.238 7.408 -0.192) 7.415 9.497 ( 1.017 8.742 -4.313) 9.801 9.559 ( 1.644 -2.781 -1.111) 3.417 9.640 ( -0.090 -1.668 -1.225) 2.071 9.658 ( 1.573 -1.751 3.297) 4.051 9.762 ( -0.309 0.893 -1.491) 1.765 9.934 ( -3.226 -0.507 2.048) 3.855 9.956 ( 0.299 -1.914 3.892) 4.347 10.056 ( 1.761 0.967 0.021) 2.009 10.116 ( 1.439 2.357 0.296) 2.777 10.184 ( 0.501 1.996 6.561) 6.876 10.372 ( 0.098 -3.610 -1.185) 3.800 10.633 ( 2.591 6.687 3.844) 8.137 10.754 ( -5.950 2.068 -0.816) 6.352 10.869 ( 0.692 -4.114 -3.270) 5.301 10.934 ( -0.587 -3.841 -4.583) 6.008 11.123 ( -1.116 1.998 3.453) 4.143 11.276 ( 5.860 1.164 1.472) 6.153 11.360 ( 0.348 12.279 -4.653) 13.136 11.379 ( 4.880 -2.562 -3.077) 6.312 11.671 ( -6.272 -8.758 10.258) 14.875 11.942 ( 1.704 -9.451 -2.081) 9.826 12.047 ( -8.689 3.753 5.364) 10.879 12.220 ( 0.242 -5.056 4.316) 6.652 12.352 ( 7.917 1.902 -2.970) 8.667 12.443 ( -1.047 -0.637 -3.151) 3.381 12.676 ( -4.072 -5.340 2.849) 7.295 12.692 ( 10.548 -11.125 4.375) 15.943 13.979 ( 0.722 13.371 1.050) 13.432 14.250 ( -1.035 -1.612 -3.061) 3.611 14.337 ( -2.222 -2.169 -6.704) 7.388 14.371 ( 2.468 1.684 -2.786) 4.085 14.518 ( -0.110 3.834 0.145) 3.839 14.625 ( -0.683 2.612 -1.695) 3.187 14.705 ( 0.429 2.971 1.940) 3.574 14.851 ( 2.287 -2.348 -3.060) 4.484 16.096 ( -3.571 1.917 -1.100) 4.199 16.237 ( -3.152 -4.524 -2.212) 5.941 16.316 ( 2.075 0.527 -10.692) 10.905 16.406 ( 4.861 -2.064 -9.302) 10.696 16.901 ( 0.690 0.469 -2.370) 2.513 16.977 ( -0.099 -3.065 -4.245) 5.237 17.078 ( -0.196 7.910 5.472) 9.620 17.280 ( 0.704 5.713 -0.099) 5.757 17.352 ( -0.628 -0.932 3.298) 3.485 17.401 ( -0.234 -0.643 1.635) 1.773 17.494 ( 0.952 -0.300 1.626) 1.908 17.539 ( -1.064 4.974 -2.564) 5.696 17.578 ( -1.884 -1.571 6.139) 6.611 17.711 ( -0.839 -4.847 0.693) 4.968 17.760 ( 0.229 0.579 -0.661) 0.908 17.798 ( 1.572 -1.349 -0.945) 2.277 17.861 ( -0.074 0.510 -2.939) 2.984 17.868 ( -1.989 0.631 -3.005) 3.659 17.910 ( -0.343 1.766 1.017) 2.066 18.103 ( 1.384 -2.644 -2.952) 4.197 18.221 ( 0.310 1.987 1.636) 2.592 18.247 ( 0.635 1.608 1.025) 2.009 18.318 ( -0.192 -2.765 4.691) 5.449 18.370 ( 0.254 -2.784 2.805) 3.960 18.558 ( -1.938 4.915 3.038) 6.094 18.650 ( 0.472 2.936 -1.285) 3.239 18.824 ( -1.461 -3.951 6.173) 7.473 18.861 ( -0.986 -3.614 3.258) 4.965 20.107 ( 0.466 0.040 -0.352) 0.586 20.108 ( -1.554 0.018 -0.357) 1.594 20.142 ( 0.255 -0.076 -0.030) 0.268 20.142 ( 0.145 -0.079 -0.062) 0.176 20.169 ( 0.132 0.072 0.339) 0.371 20.169 ( -0.108 0.066 0.326) 0.350 22.114 ( 0.324 0.184 -0.001) 0.373 22.117 ( 0.828 0.037 0.336) 0.894 22.125 ( 0.334 0.241 -0.426) 0.593 22.139 ( -0.287 -0.334 -0.452) 0.631 22.194 ( -0.309 0.093 0.897) 0.953 22.201 ( -1.182 -0.152 0.669) 1.366 26.932 ( -0.226 0.750 1.554) 1.740 26.972 ( -0.180 -1.271 0.979) 1.615 27.012 ( -0.115 0.812 -0.363) 0.896 27.030 ( 0.013 -0.257 -0.073) 0.268 27.505 ( -0.737 0.831 2.848) 3.057 27.548 ( -0.899 -1.163 2.061) 2.532 27.590 ( -0.238 0.178 0.587) 0.658 27.593 ( -0.640 -0.029 0.161) 0.661 27.648 ( 1.544 1.016 -1.590) 2.438 27.690 ( 0.952 -0.890 -2.730) 3.025 27.911 ( 0.212 0.178 0.419) 0.503 27.918 ( 0.302 -0.123 0.011) 0.326 36.529 ( 0.778 1.601 -0.368) 1.818 36.591 ( 0.772 -1.174 -3.581) 3.846 36.972 ( -0.654 -0.806 3.229) 3.392 36.986 ( 1.083 -1.358 2.234) 2.830 37.062 ( 0.645 0.625 3.178) 3.302 37.127 ( -0.316 -2.845 3.640) 4.631 37.211 ( -0.825 1.049 -0.855) 1.586 37.217 ( -1.556 1.338 -0.505) 2.114 37.452 ( 1.424 -2.067 9.419) 9.747 37.469 ( 0.856 -2.351 7.780) 8.172 37.823 ( -0.444 2.914 0.810) 3.057 37.896 ( 0.444 -0.428 -0.481) 0.782 37.997 ( -0.202 7.663 2.846) 8.177 38.034 ( -2.136 5.513 0.069) 5.913 38.202 ( -1.450 3.764 0.274) 4.042 38.297 ( 1.077 10.312 0.864) 10.404 38.475 ( -1.626 -6.753 -17.627) 18.947 38.855 ( -0.484 -11.986 -14.594) 18.892 40.093 ( 1.314 6.277 8.062) 10.302 40.208 ( 0.203 5.564 5.246) 7.650 40.436 ( 1.247 -2.301 -2.006) 3.297 40.554 ( 1.369 -8.159 -6.681) 10.634 40.929 ( -2.786 -0.806 0.201) 2.907 41.018 ( 3.956 -4.737 -3.400) 7.046 ======================= Grid point 100 (53/84) ======================= q-point: ( 0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 13.173 11.989 15.552) 23.646 1.522 ( 13.165 19.861 11.968) 26.665 1.788 ( 10.422 -3.387 8.089) 13.621 1.843 ( 6.408 4.338 -5.505) 9.496 2.082 ( 4.691 -4.995 2.170) 7.188 2.098 ( 6.616 8.978 -21.539) 24.255 2.260 ( 1.581 -4.320 4.378) 6.350 2.417 ( 2.314 2.985 -8.487) 9.289 2.510 ( 0.036 -1.955 -3.491) 4.001 2.682 ( 3.791 -5.961 -5.400) 8.892 2.916 ( -0.426 3.111 6.828) 7.516 3.097 ( 2.282 4.226 5.107) 7.011 3.263 ( -3.583 5.159 5.723) 8.497 3.279 ( -5.597 5.190 -0.284) 7.638 3.318 ( -5.782 -0.228 1.609) 6.006 3.415 ( 3.761 1.994 -3.862) 5.748 3.584 ( 2.967 -0.576 -0.082) 3.023 3.644 ( -2.894 6.246 -1.336) 7.013 3.729 ( -2.903 -1.434 -3.291) 4.617 3.801 ( 3.147 -2.646 2.661) 4.897 3.810 ( -7.162 3.754 -3.961) 9.004 3.948 ( 2.700 4.741 1.725) 5.722 4.076 ( 5.559 -4.073 1.563) 7.066 4.121 ( 1.309 -1.689 1.914) 2.869 4.213 ( 8.629 -2.526 5.984) 10.800 4.283 ( -4.181 -3.164 3.764) 6.454 4.363 ( -0.051 -5.207 1.706) 5.480 4.468 ( 7.120 -4.721 0.232) 8.546 4.533 ( 1.148 0.117 1.666) 2.027 4.593 ( 4.459 -0.079 -0.572) 4.496 4.664 ( 0.045 -7.880 -1.480) 8.018 4.813 ( 0.821 -9.752 5.456) 11.205 4.866 ( 5.676 0.645 -2.822) 6.372 4.914 ( 0.580 -3.289 2.374) 4.098 5.118 ( 3.127 5.344 -5.089) 8.014 5.144 ( 3.764 1.973 0.832) 4.330 5.241 ( 5.417 3.265 3.742) 7.349 5.396 ( 4.954 -5.386 -4.525) 8.604 5.476 ( 1.813 -0.042 -0.635) 1.922 5.520 ( -0.401 -2.026 -5.724) 6.085 5.694 ( 1.209 4.003 1.397) 4.409 5.733 ( 1.076 1.748 3.408) 3.979 5.870 ( 1.095 2.363 4.710) 5.382 5.898 ( 2.882 1.654 0.303) 3.337 5.918 ( 4.045 2.060 -2.268) 5.074 6.009 ( 9.138 -0.232 0.020) 9.141 6.077 ( 0.144 -1.703 2.741) 3.230 6.139 ( 5.496 5.014 2.388) 7.813 6.177 ( 7.085 -4.241 -1.539) 8.400 6.330 ( 2.073 2.989 -2.055) 4.178 6.355 ( 3.369 -5.582 -0.465) 6.536 6.433 ( 2.270 -4.265 5.410) 7.253 6.507 ( 9.147 1.757 2.239) 9.579 6.636 ( 5.708 6.792 -1.736) 9.040 6.770 ( 2.746 0.466 -5.240) 5.934 6.884 ( 2.468 -6.115 -0.916) 6.658 6.964 ( 0.320 1.809 -1.207) 2.198 7.024 ( -0.195 -5.767 3.086) 6.543 7.066 ( 1.056 1.115 -4.894) 5.129 7.122 ( 3.837 0.019 -7.968) 8.844 7.154 ( 3.348 -1.792 -0.272) 3.807 7.237 ( -0.264 1.165 0.647) 1.358 7.318 ( -1.685 -4.750 0.052) 5.040 7.361 ( 0.478 0.603 6.531) 6.576 7.498 ( 2.660 6.521 -0.655) 7.073 7.535 ( 4.788 6.941 1.789) 8.620 7.644 ( 3.340 1.085 3.920) 5.263 7.741 ( 4.806 3.460 4.696) 7.558 7.773 ( 2.204 -3.561 -0.380) 4.205 7.803 ( 1.307 -5.875 -5.305) 8.023 7.922 ( -1.810 0.875 0.666) 2.118 7.984 ( 0.104 1.391 2.983) 3.293 7.999 ( -1.011 -0.798 -0.553) 1.402 8.068 ( -2.431 -0.566 2.989) 3.894 8.082 ( 0.436 -6.493 3.189) 7.248 8.160 ( 1.892 -0.798 -1.783) 2.720 8.223 ( 1.169 0.356 1.732) 2.120 8.346 ( -0.364 -1.812 -0.313) 1.875 8.455 ( -0.306 -3.511 -2.071) 4.088 8.540 ( 0.932 1.633 -1.062) 2.160 8.570 ( 0.414 -4.005 0.934) 4.133 8.620 ( 2.534 -4.124 3.675) 6.077 8.688 ( -0.494 3.588 -9.308) 9.988 8.751 ( -0.136 4.019 -2.887) 4.951 8.820 ( -0.789 -1.813 -1.528) 2.499 8.910 ( 0.742 0.634 0.615) 1.154 8.987 ( -1.142 -0.664 3.180) 3.443 9.052 ( -3.762 -3.479 -5.672) 7.644 9.107 ( -1.498 -1.033 2.421) 3.028 9.140 ( 1.014 -2.053 0.955) 2.481 9.227 ( -1.378 5.143 -1.753) 5.606 9.261 ( 0.290 3.549 -4.173) 5.486 9.444 ( -2.157 7.592 -3.497) 8.632 9.462 ( -2.341 7.503 1.211) 7.952 9.550 ( -1.337 -1.870 -2.647) 3.506 9.601 ( -2.428 -2.495 -1.926) 3.979 9.697 ( -1.898 0.008 2.736) 3.330 9.730 ( -1.077 2.198 -0.810) 2.578 9.865 ( -4.659 -4.922 1.296) 6.900 9.962 ( -2.271 -2.784 2.175) 4.200 10.051 ( -1.862 1.902 0.022) 2.662 10.138 ( 0.248 2.562 -0.700) 2.668 10.231 ( -1.155 -0.609 5.558) 5.709 10.323 ( -2.977 -3.750 -3.801) 6.113 10.580 ( -9.689 5.142 -0.087) 10.969 10.673 ( -3.000 1.808 2.884) 4.538 10.786 ( -5.918 -2.105 -2.663) 6.822 10.852 ( -6.877 -7.083 -0.265) 9.876 11.087 ( -3.844 7.053 0.832) 8.076 11.182 ( -11.481 8.666 -3.603) 14.829 11.311 ( -4.047 8.638 -1.514) 9.659 11.356 ( -4.436 -3.999 -4.909) 7.731 11.599 ( -7.243 -7.269 5.968) 11.871 11.901 ( -4.515 -2.564 2.168) 5.626 12.020 ( 0.586 -2.014 8.142) 8.408 12.179 ( -8.200 -9.814 3.570) 13.278 12.365 ( -0.574 1.307 -8.039) 8.164 12.432 ( -0.353 -2.519 -2.907) 3.863 12.665 ( 9.435 6.054 1.048) 11.259 13.024 ( 13.157 -15.848 -1.317) 20.640 13.971 ( -3.391 10.064 3.205) 11.093 14.136 ( -6.330 2.557 -6.978) 9.762 14.198 ( -6.731 -3.445 -0.954) 7.621 14.337 ( -3.950 -3.890 -0.931) 5.621 14.488 ( -2.786 7.064 1.638) 7.768 14.609 ( 0.104 1.306 -0.650) 1.462 14.712 ( -1.208 2.666 0.889) 3.059 14.849 ( 0.640 -2.751 -3.759) 4.702 16.064 ( 0.491 1.398 0.397) 1.534 16.174 ( -2.055 -4.424 0.938) 4.968 16.325 ( 6.647 3.173 -8.555) 11.289 16.446 ( 6.017 -2.323 -6.827) 9.392 16.916 ( 1.783 -0.849 -0.271) 1.993 16.950 ( 0.964 -2.808 -4.088) 5.053 17.112 ( -0.915 8.862 5.557) 10.500 17.293 ( 1.192 5.944 -2.177) 6.442 17.346 ( -1.950 2.447 4.287) 5.308 17.419 ( 0.036 -1.723 2.423) 2.974 17.493 ( -0.948 3.904 -2.865) 4.934 17.532 ( 1.458 -0.127 1.503) 2.097 17.575 ( -2.632 -1.358 3.902) 4.898 17.685 ( -1.766 -3.610 -0.359) 4.035 17.741 ( -2.401 -1.206 1.169) 2.930 17.795 ( -1.454 -0.907 -0.546) 1.798 17.819 ( -1.035 -0.804 0.313) 1.348 17.840 ( -1.043 -0.024 -0.515) 1.163 17.903 ( -0.059 2.500 -0.474) 2.545 18.080 ( 0.016 -3.755 -6.079) 7.146 18.202 ( -1.963 3.696 0.016) 4.185 18.272 ( 0.253 0.355 1.359) 1.427 18.334 ( -1.819 -1.266 4.172) 4.724 18.380 ( -0.607 -3.905 0.990) 4.074 18.533 ( -2.907 4.410 3.184) 6.167 18.647 ( 0.268 1.261 -0.936) 1.593 18.812 ( -4.011 -3.028 5.313) 7.313 18.851 ( -2.336 -2.680 2.416) 4.298 20.232 ( 11.892 0.260 -0.298) 11.899 20.240 ( 11.798 -0.100 -0.139) 11.799 20.272 ( 11.705 0.526 0.166) 11.718 20.294 ( 12.548 0.895 -0.412) 12.587 20.304 ( 15.247 -0.806 2.148) 15.419 20.357 ( 19.797 -2.011 -5.820) 20.733 22.083 ( -3.346 0.529 -0.401) 3.412 22.094 ( -2.952 0.271 -0.717) 3.050 22.102 ( -2.926 -0.291 -1.012) 3.110 22.112 ( -2.116 -0.468 0.439) 2.211 22.174 ( -2.332 0.335 1.072) 2.588 22.190 ( -1.178 -0.398 1.625) 2.046 26.944 ( -0.002 0.577 1.707) 1.802 26.974 ( -0.078 -0.975 0.230) 1.004 27.008 ( -0.110 0.788 -0.046) 0.797 27.029 ( 0.055 -0.347 -0.291) 0.456 27.509 ( -1.264 0.747 2.827) 3.186 27.539 ( -1.608 -0.440 1.714) 2.391 27.572 ( -1.558 -0.183 0.384) 1.615 27.577 ( -1.376 -0.177 0.389) 1.440 27.665 ( 1.528 0.438 -1.729) 2.348 27.685 ( 0.870 -0.465 -2.744) 2.916 27.898 ( -1.673 0.174 0.191) 1.693 27.905 ( -1.434 -0.124 -0.215) 1.455 36.558 ( 2.395 1.028 -0.301) 2.623 36.592 ( 2.383 -0.455 -3.713) 4.435 36.996 ( 1.069 -1.659 1.553) 2.511 37.037 ( 2.263 -3.767 1.157) 4.545 37.148 ( 4.599 1.077 5.094) 6.947 37.166 ( 2.040 0.800 -0.483) 2.243 37.195 ( 1.712 0.219 1.118) 2.057 37.225 ( 1.890 0.686 -0.479) 2.067 37.555 ( 2.114 -0.390 6.239) 6.599 37.567 ( 2.599 -1.234 6.554) 7.158 37.844 ( -0.383 5.409 1.568) 5.645 37.917 ( 2.863 2.997 -1.296) 4.343 37.958 ( -0.611 2.669 -1.291) 3.027 38.055 ( 2.549 3.617 -0.176) 4.428 38.163 ( -1.844 2.650 0.058) 3.229 38.288 ( -3.878 -2.874 -11.775) 12.726 38.371 ( -0.396 4.396 11.979) 12.766 38.690 ( -3.388 -6.860 -15.534) 17.316 40.048 ( -11.634 2.759 5.033) 12.973 40.135 ( -10.590 1.994 1.545) 10.887 40.236 ( -21.150 -3.087 4.365) 21.815 40.330 ( -16.656 -5.982 -8.369) 19.577 40.682 ( -21.847 1.416 0.208) 21.893 40.791 ( -20.258 -2.885 1.566) 20.523 ======================= Grid point 101 (54/84) ======================= q-point: ( 0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 10.476 9.808 3.194) 14.702 1.826 ( 8.477 5.249 -1.756) 10.124 1.969 ( 14.124 8.174 -2.935) 16.581 2.036 ( 13.117 0.942 -10.426) 16.783 2.083 ( 5.778 2.568 -8.583) 10.661 2.149 ( 4.709 5.160 0.483) 7.002 2.352 ( 0.733 -4.394 0.590) 4.493 2.454 ( 8.227 -6.996 7.688) 13.257 2.611 ( 4.862 -1.696 3.603) 6.285 2.706 ( 3.773 -3.422 -4.763) 6.974 3.004 ( 2.275 -0.056 3.627) 4.282 3.111 ( -3.672 -0.277 -0.079) 3.683 3.135 ( -6.366 3.815 -1.144) 7.510 3.167 ( -5.467 9.875 -2.848) 11.641 3.254 ( -0.165 -1.914 2.364) 3.046 3.479 ( 1.416 4.987 -4.116) 6.619 3.529 ( -4.459 1.446 -0.291) 4.697 3.603 ( -0.002 0.321 -9.380) 9.385 3.708 ( -2.288 0.321 -1.296) 2.649 3.800 ( 1.144 4.270 8.600) 9.670 3.819 ( 0.043 5.717 7.538) 9.461 3.949 ( -3.854 3.170 -0.013) 4.990 4.095 ( -3.757 -7.745 6.137) 10.572 4.150 ( -0.355 -4.087 -2.768) 4.949 4.261 ( 3.807 1.608 2.359) 4.759 4.338 ( 3.615 1.684 -3.361) 5.215 4.434 ( 5.784 -7.974 -0.179) 9.852 4.574 ( 6.300 -3.175 -3.391) 7.828 4.627 ( 2.877 -7.088 1.247) 7.751 4.703 ( 8.697 -0.129 8.268) 12.000 4.782 ( 5.748 0.125 3.584) 6.775 4.912 ( 2.031 -3.248 7.546) 8.463 4.961 ( 7.133 -0.888 -3.196) 7.866 4.983 ( 5.078 -6.713 1.951) 8.641 5.160 ( 4.687 4.964 -2.102) 7.144 5.257 ( 6.526 0.229 1.546) 6.711 5.351 ( 5.382 -0.542 -5.474) 7.696 5.439 ( 1.777 3.101 -0.793) 3.660 5.450 ( 3.394 -0.442 -9.327) 9.935 5.561 ( 2.156 -3.375 5.888) 7.121 5.731 ( 2.465 1.713 -0.178) 3.007 5.837 ( 1.965 3.666 6.499) 7.716 5.908 ( 2.052 -4.116 -1.373) 4.800 5.987 ( 8.193 2.216 2.393) 8.819 6.026 ( 5.662 4.236 -0.858) 7.123 6.082 ( -0.635 -0.951 -0.785) 1.387 6.204 ( 7.151 4.371 -2.046) 8.627 6.273 ( 7.218 7.505 4.827) 11.477 6.316 ( 7.645 -2.521 1.262) 8.149 6.393 ( 1.147 -3.814 1.119) 4.137 6.487 ( 10.121 -1.110 3.316) 10.708 6.565 ( 6.943 0.161 0.669) 6.977 6.700 ( 5.312 0.740 5.907) 7.978 6.774 ( 11.311 -3.369 -3.092) 12.201 6.831 ( 5.460 -2.199 -1.152) 5.998 6.935 ( 1.604 -3.973 1.816) 4.654 6.960 ( 1.154 1.723 -4.165) 4.652 7.038 ( 1.243 0.166 -0.655) 1.415 7.064 ( 6.248 1.872 -6.726) 9.369 7.150 ( 7.484 -0.118 -4.751) 8.866 7.234 ( 4.402 -2.310 -1.216) 5.118 7.296 ( 3.414 -6.038 -0.247) 6.941 7.309 ( 3.355 3.201 3.138) 5.599 7.467 ( 5.688 -2.724 4.284) 7.624 7.567 ( 2.705 3.097 0.180) 4.116 7.687 ( 6.124 5.808 0.879) 8.485 7.733 ( 5.375 0.783 -0.266) 5.438 7.794 ( 2.542 -3.104 0.192) 4.017 7.818 ( -0.074 0.941 3.484) 3.609 7.881 ( 4.390 5.782 -1.721) 7.461 7.883 ( -2.391 -4.477 3.093) 5.944 7.959 ( 1.634 -4.024 -2.854) 5.197 8.032 ( 0.460 -0.977 2.755) 2.959 8.076 ( 0.170 -0.656 4.599) 4.649 8.148 ( 3.236 -2.409 6.405) 7.570 8.206 ( -0.136 -1.015 1.614) 1.912 8.225 ( 1.007 0.352 0.130) 1.075 8.355 ( 2.392 -3.746 -0.470) 4.469 8.434 ( -0.381 -0.161 -1.617) 1.669 8.518 ( -1.527 -0.548 0.231) 1.638 8.596 ( 1.063 4.482 -2.448) 5.216 8.647 ( 1.728 -1.525 -0.811) 2.443 8.692 ( 1.770 -1.197 0.454) 2.184 8.724 ( -2.722 -2.022 2.690) 4.328 8.793 ( -1.246 -5.045 -2.160) 5.627 8.915 ( -4.403 4.138 -0.074) 6.043 8.946 ( 0.564 -2.258 -2.031) 3.089 8.985 ( -1.724 2.443 2.459) 3.871 9.085 ( -1.053 -1.085 0.680) 1.658 9.129 ( -0.328 -2.347 -3.468) 4.200 9.187 ( -2.334 3.502 -0.841) 4.292 9.235 ( -0.461 2.162 -2.476) 3.319 9.354 ( -3.951 5.571 -2.087) 7.142 9.435 ( -2.105 6.554 -1.726) 7.097 9.465 ( -5.084 -1.263 -0.787) 5.297 9.518 ( -3.840 1.829 0.044) 4.253 9.634 ( -4.929 -0.339 1.839) 5.271 9.709 ( -1.603 2.591 0.643) 3.114 9.790 ( -3.852 -5.546 0.864) 6.807 9.889 ( -6.132 0.489 -1.024) 6.236 9.991 ( -4.214 -1.805 -1.258) 4.754 10.093 ( -5.703 -0.042 0.654) 5.740 10.199 ( -5.316 -3.249 -5.211) 8.122 10.222 ( -3.301 -1.706 1.830) 4.142 10.404 ( -8.639 5.682 1.442) 10.441 10.561 ( -9.223 0.342 1.229) 9.311 10.608 ( -10.860 -1.181 0.626) 10.942 10.689 ( -9.940 -5.534 -0.002) 11.377 10.896 ( -8.991 7.226 -4.892) 12.529 10.994 ( -9.508 6.429 -2.518) 11.750 11.137 ( -9.392 7.862 -1.595) 12.352 11.250 ( -1.949 2.409 -2.639) 4.070 11.483 ( -8.109 -8.397 2.227) 11.884 11.767 ( -10.817 -12.192 -4.217) 16.836 11.981 ( -6.912 3.667 2.212) 8.131 12.140 ( 1.200 -3.775 5.889) 7.098 12.377 ( 4.836 0.114 -1.267) 5.000 12.457 ( 3.267 -3.119 0.725) 4.575 12.796 ( 3.372 7.343 -3.040) 8.633 13.158 ( 3.824 -11.641 -5.081) 13.265 13.915 ( -4.382 5.023 4.298) 7.932 13.964 ( -5.072 4.052 -2.354) 6.906 14.110 ( -2.532 -3.541 0.303) 4.364 14.247 ( -5.509 -5.720 2.562) 8.344 14.448 ( -2.095 7.500 0.253) 7.791 14.602 ( -0.618 -0.479 -0.226) 0.814 14.673 ( -2.158 3.401 -1.772) 4.400 14.814 ( -0.460 -3.004 -5.275) 6.088 16.108 ( 2.371 0.880 2.606) 3.632 16.174 ( 0.287 -2.488 2.364) 3.444 16.413 ( 7.720 2.630 -5.110) 9.625 16.515 ( 5.575 -1.859 -4.470) 7.383 16.939 ( 1.832 -1.171 -3.126) 3.808 16.966 ( 2.196 -2.538 0.777) 3.445 17.140 ( 0.076 6.531 3.528) 7.423 17.270 ( -0.021 3.821 -5.497) 6.695 17.368 ( -0.526 2.728 5.862) 6.487 17.436 ( -0.930 -1.325 3.131) 3.525 17.464 ( 0.548 2.880 -2.660) 3.959 17.543 ( -2.045 -1.752 -0.404) 2.723 17.564 ( 0.015 2.745 1.214) 3.001 17.633 ( -2.844 -0.739 -0.490) 2.979 17.718 ( -1.322 -1.615 2.888) 3.563 17.763 ( -1.431 -1.953 0.423) 2.458 17.805 ( -1.678 -2.719 3.122) 4.467 17.821 ( -1.451 -1.803 1.461) 2.737 17.898 ( 0.614 2.533 -2.598) 3.680 18.021 ( 0.104 -1.361 -6.848) 6.982 18.161 ( -2.107 3.794 -0.091) 4.341 18.272 ( -0.878 0.027 0.190) 0.899 18.320 ( -2.135 -1.091 1.519) 2.838 18.365 ( -0.847 -4.357 -1.191) 4.595 18.505 ( -2.634 4.444 3.635) 6.317 18.648 ( 0.278 -0.636 -0.247) 0.737 18.774 ( -3.730 -1.202 4.029) 5.620 18.817 ( -2.393 -1.679 0.911) 3.062 20.516 ( 17.268 -0.446 -0.717) 17.289 20.526 ( 17.380 -0.930 0.502) 17.412 20.578 ( 19.028 2.645 -2.911) 19.430 20.617 ( 19.442 2.973 3.015) 19.898 20.701 ( 21.716 -2.968 -9.031) 23.705 20.739 ( 22.727 -2.691 8.253) 24.329 21.979 ( -7.001 0.582 -0.812) 7.072 21.994 ( -6.676 0.465 -1.048) 6.773 22.002 ( -6.458 -0.208 -1.468) 6.626 22.042 ( -5.615 -1.526 0.411) 5.833 22.126 ( -3.965 1.584 1.574) 4.551 22.178 ( -1.847 -0.994 2.486) 3.253 26.956 ( -0.142 0.162 1.499) 1.514 26.974 ( -0.222 -0.818 0.263) 0.887 27.006 ( 0.210 0.901 -0.420) 1.016 27.028 ( 0.188 -0.239 -0.647) 0.715 27.504 ( -1.529 0.654 2.624) 3.107 27.516 ( -1.633 0.478 0.858) 1.906 27.544 ( -1.997 -0.639 1.226) 2.429 27.552 ( -1.413 -0.631 0.463) 1.616 27.679 ( 1.489 0.055 -2.020) 2.510 27.681 ( 1.130 -0.026 -2.547) 2.786 27.856 ( -2.510 0.229 -0.159) 2.525 27.865 ( -2.165 -0.171 -0.532) 2.236 36.612 ( 3.484 0.384 -0.732) 3.580 36.621 ( 3.682 0.090 -3.671) 5.200 37.028 ( 1.399 -1.951 -0.419) 2.437 37.090 ( 2.180 -4.529 1.202) 5.168 37.190 ( 2.408 4.523 -2.392) 5.655 37.238 ( 3.302 0.990 -1.245) 3.665 37.289 ( 4.183 0.037 2.580) 4.915 37.350 ( 8.253 -1.196 4.566) 9.508 37.627 ( 3.620 -0.341 -1.953) 4.128 37.662 ( 4.699 -0.472 -0.764) 4.784 37.804 ( -3.063 8.530 2.751) 9.472 37.957 ( -2.231 -0.771 2.086) 3.150 38.001 ( 4.519 2.277 0.906) 5.141 38.101 ( 4.239 -2.974 -1.068) 5.287 38.187 ( 2.536 3.159 4.243) 5.866 38.197 ( 1.185 3.137 0.201) 3.359 38.447 ( -1.624 -0.221 8.494) 8.650 38.500 ( -3.329 -1.317 -10.000) 10.621 39.727 ( -21.924 -4.581 -3.577) 22.682 39.763 ( -29.568 -5.063 3.603) 30.213 39.829 ( -26.253 -0.553 -4.612) 26.661 39.863 ( -19.188 -2.245 -0.364) 19.322 40.174 ( -27.256 7.965 -0.726) 28.406 40.362 ( -24.971 -2.197 1.032) 25.089 ======================= Grid point 102 (55/84) ======================= q-point: ( 0.33 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.835 ( 9.159 -0.931 -6.643) 11.353 1.933 ( 7.615 -0.720 -8.436) 11.387 2.038 ( 2.876 2.328 -8.595) 9.358 2.134 ( 9.164 -3.423 -5.963) 11.457 2.269 ( 9.635 11.904 -1.564) 15.394 2.378 ( 8.059 -0.215 3.812) 8.918 2.425 ( 6.448 0.012 2.368) 6.869 2.581 ( -1.482 1.451 0.124) 2.078 2.633 ( -2.129 -2.037 -0.610) 3.009 2.686 ( -3.448 -2.895 -4.185) 6.147 2.955 ( -1.425 1.387 1.933) 2.773 3.010 ( -5.262 9.857 -5.654) 12.522 3.090 ( -3.228 2.178 -0.170) 3.898 3.152 ( 4.593 3.587 0.017) 5.828 3.294 ( 0.456 -6.489 0.654) 6.538 3.381 ( -8.027 -2.195 2.730) 8.758 3.506 ( 1.244 2.314 -0.636) 2.703 3.549 ( -2.299 -3.451 -5.343) 6.764 3.595 ( -5.722 1.156 4.543) 7.397 3.785 ( 4.845 4.160 -3.168) 7.129 3.897 ( 2.230 2.230 3.595) 4.782 3.950 ( -1.988 3.354 6.679) 7.734 4.071 ( 1.341 0.507 -1.185) 1.860 4.182 ( -5.630 2.111 0.607) 6.044 4.281 ( 3.564 -3.388 10.432) 11.533 4.500 ( 8.084 1.542 -1.844) 8.434 4.559 ( 6.676 -5.217 1.555) 8.614 4.646 ( 4.428 0.335 -1.097) 4.574 4.744 ( 2.967 -1.903 -1.473) 3.820 4.806 ( 3.281 -0.499 -1.118) 3.502 4.911 ( 7.084 2.780 0.764) 7.648 5.013 ( -0.203 -3.217 9.437) 9.972 5.072 ( 3.916 -0.601 1.947) 4.415 5.150 ( 10.080 -1.461 0.240) 10.188 5.226 ( 3.240 0.701 -1.462) 3.623 5.355 ( 2.975 -1.147 -6.213) 6.983 5.420 ( 5.794 -1.692 -2.804) 6.655 5.475 ( 8.254 -2.927 4.312) 9.762 5.533 ( 2.427 0.776 2.168) 3.345 5.596 ( -2.678 -3.971 4.351) 6.471 5.781 ( 3.279 3.135 -3.144) 5.519 5.892 ( -1.022 5.817 5.108) 7.809 5.956 ( 3.243 -3.362 -2.016) 5.088 6.033 ( -3.507 -0.070 1.062) 3.665 6.144 ( 6.423 2.694 0.364) 6.975 6.147 ( 5.094 1.323 1.429) 5.454 6.281 ( 2.931 5.185 -2.392) 6.419 6.364 ( -1.181 -1.765 -2.329) 3.152 6.410 ( 4.235 -2.594 -1.622) 5.225 6.505 ( 5.339 -0.285 7.234) 8.995 6.574 ( -0.547 1.788 0.171) 1.878 6.712 ( -1.640 1.364 3.220) 3.863 6.802 ( 4.171 3.559 -0.381) 5.496 6.891 ( 5.621 -8.162 0.910) 9.952 6.923 ( 5.086 -3.770 1.142) 6.433 7.021 ( 7.549 -2.640 4.604) 9.228 7.063 ( 10.949 0.961 -2.609) 11.296 7.135 ( 6.119 -0.901 -8.187) 10.261 7.235 ( 9.232 0.212 1.170) 9.308 7.271 ( 11.380 3.010 2.654) 12.067 7.349 ( 7.727 -2.402 -4.071) 9.058 7.419 ( 8.719 -4.212 3.331) 10.240 7.452 ( 10.323 0.719 -1.546) 10.463 7.577 ( 2.289 3.528 -3.177) 5.271 7.633 ( 4.058 0.951 3.009) 5.141 7.720 ( 4.227 -1.731 -4.242) 6.234 7.772 ( -3.657 -0.832 -3.443) 5.091 7.832 ( -0.649 -4.190 4.282) 6.026 7.857 ( 2.676 -0.239 -0.821) 2.810 7.872 ( -2.689 -2.371 3.553) 5.048 7.919 ( 1.325 -2.346 -1.111) 2.914 7.979 ( -3.352 -2.205 2.784) 4.883 8.054 ( 4.431 1.930 -1.337) 5.015 8.123 ( 1.511 2.480 2.977) 4.159 8.222 ( 2.144 2.196 3.589) 4.722 8.257 ( 2.399 2.138 1.379) 3.497 8.346 ( 3.257 1.842 4.556) 5.895 8.396 ( 3.481 1.033 1.317) 3.863 8.452 ( 2.264 -1.966 -1.041) 3.174 8.516 ( 1.294 1.416 1.401) 2.375 8.572 ( -2.420 -2.732 -2.232) 4.278 8.634 ( -4.148 -4.203 -0.598) 5.935 8.655 ( -1.487 -2.732 0.643) 3.176 8.716 ( -4.531 -1.169 2.942) 5.527 8.778 ( 2.868 1.777 6.596) 7.409 8.846 ( -0.952 2.095 0.004) 2.302 8.944 ( -2.202 2.544 1.576) 3.716 9.019 ( 3.961 1.726 -0.823) 4.398 9.052 ( -4.111 -0.391 -0.809) 4.208 9.093 ( 0.082 -2.215 -1.145) 2.495 9.132 ( -0.824 1.787 -2.524) 3.200 9.179 ( -3.900 -1.099 -1.828) 4.445 9.273 ( -3.407 2.218 -0.600) 4.109 9.320 ( -2.475 2.483 -5.137) 6.219 9.358 ( -5.625 4.729 0.089) 7.349 9.494 ( -3.891 1.389 2.305) 4.731 9.599 ( -1.100 0.399 7.002) 7.099 9.686 ( 1.011 -0.971 -4.467) 4.682 9.725 ( -9.146 0.123 0.276) 9.151 9.754 ( -2.093 -0.670 6.886) 7.228 9.865 ( -6.585 -3.221 -3.676) 8.201 9.920 ( -8.352 -2.841 -2.520) 9.175 10.056 ( -6.209 -0.821 -2.930) 6.915 10.128 ( -6.011 -2.454 -2.213) 6.860 10.248 ( -8.263 4.274 -1.470) 9.419 10.308 ( -16.476 2.778 -0.560) 16.718 10.468 ( -4.614 2.354 4.008) 6.549 10.581 ( -1.200 -2.702 4.340) 5.251 10.716 ( -9.775 0.582 -7.941) 12.607 10.732 ( -6.451 0.090 -8.575) 10.731 10.997 ( -4.441 10.838 -1.734) 11.840 11.198 ( -2.296 2.760 -3.029) 4.697 11.363 ( -5.192 -6.568 3.365) 9.023 11.522 ( -7.971 -9.772 -3.819) 13.176 11.891 ( -4.317 5.503 -1.799) 7.222 12.121 ( -6.120 -6.180 -1.979) 8.920 12.490 ( 5.088 0.725 3.982) 6.502 12.551 ( 4.046 -2.516 4.481) 6.541 12.796 ( 0.556 8.179 -0.685) 8.227 13.128 ( -1.000 -8.021 -5.453) 9.750 13.895 ( -2.744 4.576 6.060) 8.074 13.924 ( 1.155 2.095 -0.389) 2.424 14.082 ( -0.109 -4.926 -0.960) 5.020 14.166 ( -5.492 -5.989 3.077) 8.689 14.421 ( -0.587 7.621 0.007) 7.644 14.565 ( -3.133 0.252 -0.856) 3.258 14.630 ( 1.111 1.633 -4.397) 4.820 14.745 ( -1.576 -3.234 -6.314) 7.267 16.185 ( 2.232 0.418 4.732) 5.248 16.213 ( 0.716 -0.951 4.139) 4.307 16.520 ( 6.425 1.529 -3.321) 7.392 16.577 ( 4.089 -0.873 -3.660) 5.557 16.956 ( 2.094 -0.088 -2.229) 3.059 17.014 ( 1.669 -2.812 1.010) 3.422 17.174 ( 1.532 3.471 0.474) 3.823 17.220 ( 0.185 2.533 -6.128) 6.634 17.402 ( -0.254 0.921 3.427) 3.558 17.438 ( -1.767 -0.408 3.930) 4.329 17.460 ( -0.328 1.730 -0.517) 1.835 17.496 ( 0.226 -1.566 -5.816) 6.028 17.539 ( -2.226 3.800 0.340) 4.417 17.592 ( -2.863 1.689 3.090) 4.538 17.739 ( 0.972 -2.716 1.883) 3.444 17.751 ( -0.163 -4.529 0.546) 4.564 17.810 ( -0.519 -2.569 2.871) 3.887 17.819 ( -1.230 -1.382 6.050) 6.326 17.883 ( 0.639 3.298 -3.276) 4.692 17.985 ( 0.730 1.153 -4.084) 4.306 18.119 ( -2.205 3.330 0.049) 3.994 18.245 ( -1.132 -0.436 -2.082) 2.410 18.275 ( -2.338 -1.350 -1.395) 3.039 18.325 ( -1.240 -4.194 -3.430) 5.558 18.496 ( -1.883 4.768 4.525) 6.838 18.651 ( -0.026 -1.734 0.331) 1.765 18.738 ( -2.784 0.066 2.802) 3.950 18.779 ( -1.739 -1.051 -0.122) 2.036 20.865 ( 19.072 -0.353 -1.043) 19.103 20.894 ( 19.348 -1.574 0.659) 19.423 20.924 ( 19.383 1.904 -3.517) 19.791 21.020 ( 19.567 -1.752 -7.899) 21.174 21.052 ( 19.992 5.103 4.894) 21.206 21.254 ( 19.766 -4.309 12.199) 23.624 21.796 ( -11.110 0.570 -1.050) 11.174 21.817 ( -10.727 0.738 -1.319) 10.833 21.829 ( -10.076 -0.138 -1.212) 10.149 21.901 ( -9.311 -2.875 0.404) 9.753 22.041 ( -6.313 3.675 1.742) 7.510 22.159 ( -2.464 -2.213 2.971) 4.449 26.962 ( -0.494 -0.143 1.257) 1.358 26.970 ( -0.520 -0.616 0.694) 1.064 27.011 ( 0.828 0.728 -0.920) 1.436 27.025 ( 0.285 -0.044 -1.082) 1.120 27.494 ( -1.380 0.489 1.995) 2.475 27.499 ( -0.823 0.733 0.856) 1.395 27.518 ( -1.751 -0.542 1.605) 2.436 27.534 ( -0.898 -0.901 0.820) 1.514 27.687 ( 1.439 0.110 -1.799) 2.307 27.693 ( 1.657 -0.107 -2.072) 2.655 27.805 ( -2.344 0.347 -0.608) 2.446 27.818 ( -2.010 -0.213 -0.945) 2.231 36.671 ( 4.606 0.301 -3.214) 5.624 36.680 ( 3.873 -0.077 -0.603) 3.920 37.035 ( 0.417 -0.424 -2.111) 2.193 37.125 ( -0.311 -4.596 1.207) 4.762 37.216 ( 1.257 4.480 -0.932) 4.745 37.288 ( 2.844 1.591 -2.861) 4.337 37.330 ( 0.612 -0.176 -5.812) 5.847 37.473 ( 2.179 -5.732 -4.331) 7.507 37.723 ( 6.575 1.312 1.256) 6.821 37.766 ( 8.725 1.089 0.221) 8.796 37.815 ( 0.023 10.407 4.008) 11.152 37.959 ( -1.599 -0.275 10.065) 10.195 38.062 ( 2.727 1.665 0.448) 3.227 38.200 ( 5.168 -3.566 0.779) 6.327 38.287 ( 4.336 3.015 5.214) 7.421 38.346 ( 10.040 1.586 0.136) 10.166 38.412 ( 5.399 0.096 -2.746) 6.058 38.511 ( -1.070 -2.907 7.651) 8.255 39.095 ( -25.115 0.768 -18.580) 31.250 39.267 ( -21.327 -9.904 -4.176) 23.882 39.351 ( -27.166 0.160 10.043) 28.963 39.449 ( -21.841 -4.173 -2.313) 22.356 39.678 ( -23.153 9.086 -1.926) 24.947 39.862 ( -25.188 -1.504 -2.713) 25.378 ======================= Grid point 103 (56/84) ======================= q-point: ( 0.44 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 4.268 1.248 -8.475) 9.571 2.039 ( 1.953 -3.295 -6.486) 7.532 2.064 ( 10.581 1.798 -4.822) 11.766 2.194 ( 0.416 -4.699 -1.165) 4.859 2.256 ( -11.848 -3.985 -8.111) 14.901 2.362 ( -0.587 3.851 -4.925) 6.279 2.483 ( -0.913 3.511 -4.148) 5.511 2.565 ( 2.590 -1.400 3.035) 4.228 2.580 ( -0.913 2.044 -5.245) 5.702 2.724 ( 5.231 0.390 -0.600) 5.280 2.866 ( -6.415 6.222 2.794) 9.363 2.990 ( -3.014 2.538 0.097) 3.942 3.001 ( -2.207 4.323 3.183) 5.804 3.146 ( -0.138 1.818 -6.080) 6.347 3.219 ( -7.996 -8.891 1.070) 12.005 3.310 ( 1.184 -5.161 -1.268) 5.445 3.481 ( 1.881 2.462 4.265) 5.271 3.563 ( 1.955 -0.077 3.739) 4.220 3.702 ( 5.174 5.811 7.687) 10.938 3.887 ( 4.904 3.251 -0.817) 5.940 3.938 ( -3.532 2.210 3.570) 5.487 3.998 ( 2.369 0.486 1.316) 2.753 4.107 ( 3.814 3.066 -2.154) 5.346 4.158 ( 4.739 2.229 1.783) 5.532 4.381 ( -1.020 -2.708 9.167) 9.613 4.479 ( -2.009 -2.976 -8.298) 9.042 4.638 ( -6.222 0.655 -5.035) 8.031 4.671 ( 0.306 -2.724 2.371) 3.625 4.801 ( 7.708 4.530 2.451) 9.270 4.954 ( 8.162 -2.190 0.474) 8.464 5.008 ( -2.216 0.542 4.691) 5.216 5.039 ( 0.031 0.635 3.943) 3.994 5.136 ( 4.319 2.220 -4.581) 6.675 5.231 ( 0.990 -5.387 -0.760) 5.530 5.318 ( 3.198 3.351 -1.009) 4.741 5.409 ( 4.990 1.434 -1.074) 5.302 5.510 ( 1.683 1.733 1.481) 2.834 5.548 ( -3.900 -1.053 5.044) 6.463 5.600 ( 2.737 -3.436 2.211) 4.918 5.630 ( 3.137 0.102 1.600) 3.523 5.834 ( 4.240 -1.628 -0.696) 4.595 5.881 ( -3.587 3.746 2.167) 5.621 5.962 ( -1.228 -4.092 -1.376) 4.489 5.979 ( -1.653 0.894 3.312) 3.808 6.116 ( -5.172 -3.157 -4.238) 7.395 6.211 ( -4.743 2.527 -3.070) 6.190 6.313 ( 8.320 0.038 0.373) 8.329 6.380 ( 0.952 -0.929 3.137) 3.407 6.483 ( -1.799 -1.177 5.254) 5.677 6.537 ( 5.304 6.460 2.384) 8.692 6.628 ( -1.592 -2.504 2.281) 3.743 6.754 ( 1.473 -0.196 0.831) 1.703 6.780 ( 0.584 2.041 3.910) 4.449 6.908 ( -1.482 -7.459 0.146) 7.606 7.097 ( 1.260 3.154 -8.891) 9.518 7.132 ( 5.528 -3.790 1.077) 6.788 7.229 ( 7.132 -2.525 -2.418) 7.943 7.250 ( 5.605 -4.717 4.566) 8.632 7.343 ( 5.523 0.085 -2.905) 6.240 7.411 ( -1.771 2.292 0.792) 3.003 7.478 ( 2.308 -0.839 -3.642) 4.393 7.499 ( -2.836 -6.423 -2.826) 7.568 7.569 ( 6.877 -0.242 0.811) 6.929 7.625 ( -3.921 2.567 0.884) 4.770 7.692 ( -1.524 3.691 2.354) 4.636 7.745 ( -4.878 2.621 0.617) 5.572 7.800 ( 10.359 -1.881 0.953) 10.571 7.825 ( 5.426 -4.166 -1.499) 7.003 7.851 ( -2.010 -0.516 -2.321) 3.113 7.880 ( 5.035 -2.149 -2.078) 5.856 7.958 ( 2.649 -1.155 1.960) 3.492 7.963 ( 3.501 -1.318 -0.640) 3.795 8.145 ( 5.008 3.452 1.020) 6.168 8.173 ( -0.392 2.159 2.652) 3.442 8.260 ( 0.287 3.358 -1.318) 3.619 8.289 ( -0.195 -1.744 -0.364) 1.792 8.382 ( -4.313 -2.940 0.199) 5.224 8.413 ( 0.867 -0.927 -4.529) 4.704 8.461 ( -0.554 1.927 1.954) 2.800 8.486 ( 1.570 2.493 2.697) 3.994 8.568 ( 0.613 -2.532 4.165) 4.912 8.634 ( 0.853 -2.358 0.310) 2.527 8.656 ( -1.662 -0.149 5.430) 5.681 8.669 ( -1.415 2.892 1.856) 3.717 8.834 ( -4.726 0.833 -1.110) 4.926 8.853 ( -0.280 3.696 3.336) 4.987 8.909 ( -7.989 1.440 1.187) 8.204 8.986 ( 1.193 -2.230 4.430) 5.101 9.053 ( 1.503 2.064 -0.494) 2.601 9.090 ( 3.386 -2.628 0.566) 4.324 9.121 ( 1.420 -0.719 -1.130) 1.952 9.181 ( 2.882 5.371 0.893) 6.160 9.182 ( -3.991 0.516 -1.517) 4.301 9.268 ( -2.064 6.065 -2.951) 7.054 9.359 ( 4.736 -1.244 3.345) 5.930 9.421 ( -1.823 -0.640 -0.384) 1.970 9.549 ( -4.499 -4.576 1.815) 6.669 9.571 ( -4.987 -4.558 1.778) 6.986 9.690 ( -4.097 1.365 -3.782) 5.740 9.792 ( 1.944 0.897 0.211) 2.151 9.814 ( 0.694 0.908 3.686) 3.860 9.851 ( 2.313 1.041 7.413) 7.835 9.952 ( -1.618 0.697 -2.979) 3.461 9.997 ( -10.534 1.519 -3.140) 11.097 10.005 ( -1.878 -1.041 -3.373) 3.999 10.059 ( -8.098 -0.972 -5.072) 9.604 10.436 ( -3.040 3.516 -1.000) 4.754 10.526 ( -0.574 0.645 -4.438) 4.521 10.573 ( -2.334 -1.879 -8.531) 9.042 10.655 ( 1.260 -3.970 6.692) 7.883 10.896 ( -1.484 8.213 -8.031) 11.583 11.125 ( -0.684 -0.485 -6.269) 6.324 11.346 ( -0.626 -2.487 4.709) 5.362 11.440 ( -0.637 -5.490 4.748) 7.287 11.768 ( -4.754 4.117 -5.734) 8.510 11.909 ( -9.487 -3.034 -7.421) 12.421 12.630 ( 4.381 0.940 7.433) 8.679 12.659 ( 1.527 0.119 6.144) 6.332 12.837 ( 3.083 3.937 0.595) 5.036 13.066 ( -0.653 -6.070 -5.218) 8.031 13.893 ( -3.215 4.204 5.900) 7.926 13.937 ( 0.204 2.186 0.600) 2.276 14.073 ( -4.614 -5.340 -0.146) 7.059 14.121 ( 3.685 -5.953 0.082) 7.002 14.420 ( -0.362 6.286 0.790) 6.346 14.500 ( -1.589 1.521 -1.478) 2.650 14.621 ( 1.336 -0.533 -6.510) 6.667 14.670 ( 0.314 -2.732 -6.243) 6.822 16.258 ( 0.099 0.281 6.286) 6.293 16.269 ( 0.741 -0.168 6.633) 6.677 16.590 ( 3.582 0.557 -3.988) 5.389 16.607 ( 2.402 -0.100 -4.505) 5.106 16.979 ( 1.546 0.638 -1.049) 1.974 17.043 ( 0.832 -2.404 0.283) 2.559 17.178 ( 1.438 1.935 -6.252) 6.701 17.205 ( 1.899 1.023 -3.316) 3.956 17.390 ( -2.203 0.336 -1.197) 2.530 17.428 ( -2.293 0.476 3.947) 4.590 17.455 ( 2.129 -0.679 -2.116) 3.077 17.479 ( 0.826 -0.307 -1.443) 1.690 17.511 ( -2.392 2.630 2.831) 4.545 17.569 ( -2.612 2.497 4.324) 5.635 17.737 ( 0.207 -4.827 -1.047) 4.943 17.784 ( 1.164 -3.192 0.177) 3.402 17.840 ( 0.711 -0.038 2.748) 2.839 17.863 ( -0.204 -1.071 7.648) 7.726 17.890 ( 2.022 3.065 0.173) 3.676 17.976 ( 0.455 1.818 -1.083) 2.165 18.077 ( -2.441 2.314 0.504) 3.401 18.191 ( -1.653 -0.697 -4.513) 4.857 18.220 ( -1.139 -0.855 -3.106) 3.417 18.268 ( -0.870 -3.636 -5.009) 6.250 18.501 ( -1.622 4.453 4.707) 6.679 18.649 ( -0.672 -2.105 0.700) 2.318 18.712 ( -1.906 0.611 1.857) 2.731 18.752 ( -0.975 -0.858 0.061) 1.301 21.211 ( 16.523 0.323 -0.545) 16.536 21.242 ( 16.601 1.263 -2.306) 16.808 21.268 ( 16.525 -2.682 0.687) 16.755 21.305 ( 15.453 -1.402 -5.302) 16.398 21.428 ( 10.828 4.707 3.246) 12.245 21.517 ( -9.511 -1.054 0.507) 9.583 21.540 ( -12.299 1.432 -0.408) 12.388 21.564 ( -13.358 1.181 -1.572) 13.502 21.706 ( -8.046 -3.113 1.233) 8.715 21.739 ( 7.092 -3.519 8.798) 11.836 21.910 ( -8.309 6.225 1.474) 10.486 22.128 ( -3.069 -4.415 2.150) 5.791 26.958 ( -0.794 -0.015 1.161) 1.406 26.968 ( -0.489 -0.515 1.083) 1.296 27.021 ( 0.850 0.225 -1.181) 1.472 27.022 ( 0.504 0.131 -1.300) 1.401 27.487 ( -1.053 0.150 2.051) 2.311 27.495 ( -0.686 0.230 1.172) 1.377 27.505 ( -0.626 0.088 1.272) 1.421 27.530 ( -0.259 -0.717 0.863) 1.151 27.705 ( 1.484 -0.104 -1.076) 1.836 27.712 ( 1.986 -0.147 -1.522) 2.506 27.759 ( -1.569 0.452 -1.106) 1.972 27.774 ( -1.399 -0.134 -1.433) 2.007 36.745 ( 4.993 0.179 -1.016) 5.099 36.752 ( 3.679 -0.127 0.467) 3.711 37.012 ( -1.173 -0.588 -2.239) 2.596 37.078 ( -3.882 -2.999 -2.647) 5.574 37.183 ( -3.308 4.733 -4.208) 7.145 37.248 ( -1.304 1.346 -3.247) 3.749 37.320 ( 0.809 -1.561 -2.619) 3.154 37.390 ( -3.511 -4.558 -9.904) 11.453 37.775 ( -5.195 11.178 3.469) 12.805 37.864 ( 3.093 2.776 2.718) 4.966 37.969 ( 10.621 3.743 2.565) 11.550 38.027 ( -0.506 -0.692 9.872) 9.909 38.185 ( -0.314 -2.763 3.745) 4.664 38.302 ( 3.132 6.229 0.584) 6.997 38.369 ( 4.876 -4.935 4.913) 8.501 38.489 ( -0.536 -3.756 -0.452) 3.821 38.598 ( 13.802 -3.415 -1.294) 14.277 38.626 ( 9.266 -3.267 5.252) 11.140 38.753 ( 2.731 3.863 -4.394) 6.457 38.911 ( -10.724 -8.828 -6.943) 15.529 38.940 ( -19.694 2.302 7.740) 21.285 39.052 ( -12.025 -3.144 -4.155) 13.105 39.251 ( -17.202 7.359 -4.979) 19.361 39.391 ( -17.626 -0.926 -6.860) 18.937 ======================= Grid point 104 (57/84) ======================= q-point: (-0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -12.751 6.249 -6.482) 15.609 1.877 ( -6.790 2.129 -1.427) 7.258 2.043 ( -8.634 -7.104 -3.102) 11.603 2.096 ( -2.331 -6.042 -2.612) 6.983 2.247 ( 3.036 0.417 2.314) 3.840 2.353 ( 0.460 0.515 -0.354) 0.776 2.404 ( -0.313 4.978 -6.157) 7.923 2.453 ( 0.057 0.495 -6.475) 6.494 2.661 ( 4.093 -1.988 -0.211) 4.555 2.766 ( 0.930 -3.516 -2.920) 4.664 2.844 ( -0.342 0.244 7.973) 7.984 2.934 ( -4.023 1.173 3.341) 5.359 2.980 ( -1.419 1.253 -0.788) 2.051 3.054 ( -5.607 0.364 0.469) 5.638 3.198 ( 6.788 2.115 -1.200) 7.210 3.392 ( 6.959 -5.658 -3.679) 9.694 3.544 ( -6.570 7.763 3.492) 10.753 3.641 ( 7.997 6.554 3.121) 10.801 3.788 ( -6.152 1.978 5.715) 8.627 3.888 ( -1.254 1.907 1.788) 2.899 3.921 ( -0.791 2.825 -1.810) 3.447 4.009 ( -0.896 -2.766 -0.834) 3.024 4.155 ( 2.376 4.192 0.469) 4.841 4.288 ( 4.266 -2.430 -5.721) 7.539 4.413 ( -0.659 -1.829 -4.158) 4.590 4.438 ( 3.029 2.361 -0.242) 3.849 4.491 ( -2.683 -3.275 6.707) 7.931 4.615 ( -3.667 -5.356 -1.133) 6.590 4.897 ( -6.445 2.152 2.730) 7.323 4.943 ( 0.005 3.833 2.056) 4.350 5.047 ( -2.098 1.137 2.348) 3.348 5.088 ( 1.056 -1.130 2.291) 2.764 5.141 ( -4.126 2.122 -4.917) 6.760 5.211 ( 0.954 0.463 -3.024) 3.205 5.333 ( 0.403 -1.579 0.517) 1.709 5.386 ( -4.934 -2.656 -2.316) 6.063 5.528 ( -1.798 4.306 2.780) 5.432 5.561 ( 0.420 3.071 0.385) 3.123 5.583 ( -2.404 2.145 -0.119) 3.224 5.696 ( -3.140 -2.400 -1.090) 4.100 5.772 ( -3.866 -0.680 5.098) 6.434 5.880 ( -0.708 4.281 2.418) 4.967 5.915 ( -0.549 -4.912 -0.603) 4.979 5.995 ( -3.341 -2.257 3.305) 5.214 6.089 ( 2.672 -4.811 -4.099) 6.861 6.142 ( 1.563 -1.154 7.536) 7.782 6.365 ( -3.146 4.542 -1.295) 5.675 6.453 ( 2.664 -0.877 -1.643) 3.251 6.496 ( -1.083 -0.145 9.606) 9.668 6.573 ( -4.084 -4.064 4.174) 7.115 6.666 ( 5.255 6.314 1.015) 8.277 6.745 ( -3.984 -2.064 0.139) 4.489 6.844 ( -4.186 6.053 -0.605) 7.384 6.879 ( 6.100 -0.577 -4.436) 7.565 7.054 ( -3.333 -0.869 1.326) 3.691 7.102 ( -6.656 -4.044 -0.110) 7.789 7.199 ( -6.222 -0.697 -0.890) 6.324 7.283 ( -4.689 0.113 -1.692) 4.987 7.306 ( -3.307 -4.994 -1.395) 6.150 7.353 ( -9.879 -3.837 -0.264) 10.601 7.389 ( -4.057 -7.465 0.141) 8.498 7.467 ( 4.179 -1.497 -4.498) 6.320 7.564 ( -4.303 2.532 -0.750) 5.049 7.625 ( -1.618 -3.147 0.839) 3.636 7.635 ( -3.056 1.115 5.048) 6.006 7.668 ( -5.654 2.269 2.924) 6.758 7.731 ( -10.264 -4.378 0.680) 11.180 7.841 ( -0.715 -4.128 0.091) 4.190 7.921 ( 1.160 0.543 -0.364) 1.331 8.009 ( 5.839 -1.762 -1.229) 6.222 8.046 ( -0.108 0.927 -4.731) 4.822 8.064 ( 6.227 -0.145 -1.806) 6.485 8.145 ( -1.138 1.068 1.515) 2.176 8.184 ( 2.697 2.097 -3.759) 5.080 8.204 ( -1.905 3.047 -0.172) 3.598 8.313 ( -1.483 -0.936 2.773) 3.281 8.323 ( -2.227 3.701 -2.906) 5.206 8.456 ( 1.213 -0.729 3.704) 3.965 8.493 ( 6.019 3.490 0.542) 6.979 8.558 ( 1.550 -0.323 1.746) 2.357 8.577 ( -4.408 -1.774 3.663) 6.000 8.623 ( -1.192 1.012 0.373) 1.608 8.649 ( -0.044 0.591 -3.181) 3.235 8.686 ( -0.933 0.579 0.878) 1.406 8.735 ( -0.486 -1.189 3.554) 3.779 8.818 ( 0.636 -0.346 2.088) 2.210 8.904 ( 0.861 4.727 0.509) 4.832 8.990 ( -0.550 -0.544 -0.522) 0.933 9.072 ( 0.913 0.223 2.804) 2.958 9.119 ( 0.823 1.941 0.190) 2.116 9.162 ( 2.879 -0.878 4.023) 5.025 9.185 ( -0.757 3.483 -1.426) 3.839 9.239 ( 6.307 1.897 -1.401) 6.734 9.282 ( 4.610 3.326 -2.779) 6.327 9.401 ( -1.601 -3.748 2.958) 5.036 9.460 ( 2.112 -4.582 0.702) 5.094 9.566 ( 6.975 0.211 2.916) 7.563 9.620 ( 2.944 -1.326 0.746) 3.314 9.630 ( -2.865 2.024 -0.011) 3.508 9.696 ( -0.920 2.000 -5.628) 6.043 9.788 ( -3.565 -0.086 -0.663) 3.627 9.846 ( -0.383 -0.504 0.237) 0.676 9.949 ( 2.920 -0.423 1.378) 3.257 10.018 ( 2.407 -1.170 3.902) 4.731 10.059 ( 11.059 2.931 -1.065) 11.490 10.109 ( 13.118 2.100 -3.133) 13.650 10.392 ( 2.408 -2.336 -6.318) 7.154 10.469 ( 1.995 -2.792 -12.642) 13.100 10.538 ( 0.413 2.088 5.152) 5.574 10.735 ( 2.146 -4.228 4.598) 6.605 10.839 ( 0.871 7.077 -5.383) 8.935 11.074 ( 3.270 -2.192 -11.544) 12.197 11.422 ( 2.659 0.956 9.390) 9.806 11.542 ( 3.108 -4.186 3.510) 6.285 11.667 ( 2.004 1.769 -1.915) 3.289 11.701 ( -4.771 -0.352 -6.889) 8.388 12.693 ( -2.814 2.148 5.223) 6.309 12.763 ( 1.799 -0.585 8.416) 8.625 12.872 ( -0.281 1.971 -2.316) 3.055 13.017 ( 1.183 -4.894 -8.001) 9.453 13.874 ( -2.370 0.749 4.921) 5.514 13.955 ( -3.244 -0.658 4.095) 5.266 13.992 ( 0.695 2.442 -1.616) 3.010 14.215 ( 5.577 -6.333 -1.066) 8.505 14.409 ( -1.212 2.969 1.790) 3.673 14.489 ( 0.136 0.607 0.096) 0.630 14.584 ( 1.611 0.985 -5.737) 6.040 14.659 ( 3.603 -1.525 -8.163) 9.052 16.303 ( -1.572 0.797 8.275) 8.461 16.330 ( -0.729 -0.452 7.666) 7.714 16.585 ( 0.515 0.348 -6.109) 6.141 16.597 ( 1.083 -0.058 -6.690) 6.777 16.991 ( 0.254 1.083 -0.578) 1.254 17.054 ( 0.181 -1.704 -0.001) 1.714 17.162 ( 1.917 0.874 -5.570) 5.955 17.191 ( 1.558 -0.359 -8.664) 8.811 17.346 ( -1.348 1.819 0.225) 2.275 17.411 ( -1.284 -0.800 0.989) 1.808 17.484 ( 0.383 -0.252 -0.633) 0.782 17.488 ( -1.592 0.181 3.014) 3.413 17.506 ( 1.071 0.526 3.530) 3.726 17.559 ( -1.687 0.667 4.458) 4.813 17.739 ( 0.757 -0.735 -1.829) 2.112 17.797 ( 2.001 -0.317 -2.891) 3.530 17.861 ( -0.750 0.115 1.902) 2.048 17.929 ( 0.418 -0.660 7.429) 7.470 17.958 ( 2.525 0.374 3.850) 4.619 17.986 ( 0.511 0.178 0.570) 0.786 18.040 ( -1.726 2.417 2.151) 3.667 18.114 ( -1.866 -0.581 -4.968) 5.339 18.189 ( 0.674 -1.233 -3.605) 3.869 18.215 ( 0.260 -1.870 -6.025) 6.313 18.509 ( -1.639 3.574 5.028) 6.383 18.638 ( -0.904 -1.940 0.606) 2.224 18.693 ( -1.535 0.728 1.596) 2.331 18.744 ( -0.303 -1.125 1.013) 1.544 21.197 ( -17.870 0.346 -0.423) 17.879 21.203 ( -17.394 0.728 0.091) 17.410 21.217 ( -17.503 -0.082 -0.757) 17.520 21.289 ( -14.478 -3.845 0.332) 14.984 21.459 ( 1.281 4.487 1.031) 4.779 21.563 ( 12.441 -1.390 -0.235) 12.520 21.574 ( 13.073 0.174 -3.872) 13.635 21.590 ( 12.736 -0.437 -3.186) 13.136 21.767 ( -0.355 4.114 -0.381) 4.147 21.812 ( 9.444 4.544 4.097) 11.253 21.992 ( 6.707 -3.207 7.347) 10.453 22.069 ( -3.325 -7.363 -1.394) 8.198 26.953 ( -0.778 0.135 1.393) 1.602 26.966 ( -0.711 -0.436 1.026) 1.323 27.018 ( 0.452 0.261 -1.298) 1.399 27.028 ( 0.714 -0.229 -1.219) 1.431 27.482 ( -1.381 0.220 2.396) 2.774 27.496 ( -0.123 -0.373 1.398) 1.452 27.513 ( 0.372 0.383 0.729) 0.904 27.536 ( 0.170 -0.565 0.523) 0.788 27.713 ( -0.248 -0.035 -1.174) 1.200 27.722 ( -0.681 -0.267 -1.521) 1.688 27.748 ( 2.121 0.152 -0.688) 2.234 27.756 ( 1.352 0.071 -1.404) 1.951 36.825 ( 2.324 -0.057 2.376) 3.325 36.852 ( 4.291 -1.043 3.999) 5.958 36.921 ( -5.316 0.333 -4.466) 6.951 36.954 ( -3.806 -0.806 -7.074) 8.073 37.112 ( -0.708 2.545 -0.412) 2.673 37.154 ( -4.658 0.344 -5.137) 6.943 37.261 ( -3.861 -0.540 -1.572) 4.203 37.289 ( -2.676 -2.147 -0.433) 3.458 37.699 ( -5.309 8.324 4.268) 10.756 37.917 ( -1.551 5.063 3.630) 6.420 37.973 ( -7.807 6.031 -2.132) 10.093 38.044 ( -6.149 4.957 8.327) 11.477 38.269 ( 9.997 -4.148 2.649) 11.143 38.348 ( -1.716 0.068 0.708) 1.858 38.413 ( -6.961 -0.089 0.597) 6.987 38.458 ( -14.327 -6.020 4.107) 16.074 38.561 ( -6.893 -3.075 6.054) 9.676 38.717 ( -8.045 3.173 -0.883) 8.693 38.732 ( 6.703 -12.264 -1.801) 14.092 38.840 ( 7.083 -3.788 -6.222) 10.160 39.041 ( 14.420 1.666 2.376) 14.709 39.102 ( 10.221 7.348 -4.806) 13.475 39.181 ( 24.034 -2.407 -1.616) 24.208 39.245 ( 15.087 0.665 -6.215) 16.331 ======================= Grid point 105 (58/84) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -14.764 8.919 4.329) 17.783 1.599 ( -20.847 -2.216 3.993) 21.341 1.849 ( -10.215 -10.301 1.123) 14.551 2.015 ( -5.535 -6.773 -2.738) 9.166 2.266 ( -0.252 0.336 5.388) 5.405 2.351 ( 0.333 5.503 -0.174) 5.516 2.428 ( 1.285 3.897 3.189) 5.197 2.481 ( 2.739 0.614 -4.134) 4.997 2.703 ( 3.435 0.871 -4.162) 5.466 2.755 ( 1.540 1.293 -4.095) 4.563 2.859 ( -6.128 2.403 2.403) 7.007 2.955 ( 2.320 3.251 7.387) 8.397 2.996 ( 2.869 4.128 3.769) 6.283 3.042 ( 3.748 -3.407 -4.292) 6.639 3.252 ( -5.443 5.091 -1.105) 7.535 3.385 ( -4.147 2.279 1.056) 4.848 3.505 ( 7.444 -7.004 -2.814) 10.601 3.653 ( -5.962 -0.476 0.880) 6.045 3.756 ( -5.466 -1.775 -2.375) 6.218 3.823 ( 0.222 3.607 -0.829) 3.708 3.907 ( 1.197 1.992 1.732) 2.899 3.989 ( -0.003 4.691 -0.200) 4.695 4.170 ( -3.486 -0.850 5.190) 6.310 4.290 ( 1.883 -3.273 -3.793) 5.352 4.361 ( 2.878 -4.024 -8.401) 9.749 4.468 ( -3.427 -4.993 2.768) 6.659 4.572 ( 4.102 2.099 3.339) 5.691 4.628 ( 0.428 1.110 4.777) 4.923 4.742 ( -8.265 3.885 -2.772) 9.544 4.826 ( -9.700 -0.285 -6.351) 11.598 4.905 ( -10.976 7.031 -4.319) 13.731 5.019 ( -6.692 1.880 4.439) 8.248 5.067 ( -3.889 1.036 -0.787) 4.101 5.189 ( -5.369 -6.157 0.929) 8.222 5.270 ( -4.573 -2.157 2.649) 5.708 5.348 ( -1.667 -3.444 3.828) 5.413 5.457 ( -2.899 -0.704 -5.177) 5.975 5.491 ( -2.633 5.063 0.227) 5.711 5.544 ( -5.534 -4.999 -3.493) 8.235 5.643 ( 1.545 -3.057 2.114) 4.025 5.718 ( -6.704 3.600 1.145) 7.695 5.851 ( -5.034 -3.177 1.218) 6.076 5.922 ( 0.589 4.283 7.780) 8.900 6.037 ( -1.084 3.474 5.537) 6.626 6.082 ( -0.206 1.567 -3.123) 3.500 6.235 ( 0.065 -2.557 2.600) 3.647 6.282 ( -0.010 -1.458 -5.258) 5.456 6.416 ( -5.137 0.624 -4.959) 7.167 6.496 ( -2.508 4.601 7.823) 9.416 6.561 ( -5.679 -0.492 1.931) 6.019 6.630 ( -3.039 2.321 4.031) 5.556 6.700 ( -7.432 2.790 3.438) 8.651 6.754 ( -6.512 6.568 -2.019) 9.467 6.880 ( -3.340 -1.951 -3.163) 4.997 6.936 ( -10.816 1.583 2.449) 11.202 6.975 ( -1.951 -2.677 -3.667) 4.942 7.056 ( -4.678 -3.507 2.970) 6.558 7.137 ( -7.620 -6.210 -0.049) 9.830 7.174 ( -4.799 -8.127 -5.022) 10.691 7.247 ( -3.794 -1.994 -1.705) 4.613 7.359 ( -3.181 -4.010 0.506) 5.143 7.428 ( -5.381 -6.648 0.438) 8.564 7.449 ( -11.319 -0.038 0.469) 11.329 7.506 ( 1.175 3.035 -0.124) 3.257 7.542 ( -5.043 -0.279 -0.896) 5.130 7.626 ( -1.418 -4.330 2.955) 5.431 7.732 ( -0.008 -3.379 7.286) 8.031 7.790 ( -2.737 -4.418 4.847) 7.106 7.906 ( -4.407 1.480 -1.328) 4.834 7.914 ( -7.787 2.903 0.095) 8.311 7.974 ( -7.425 0.070 0.757) 7.464 8.082 ( -1.839 4.238 -0.273) 4.628 8.121 ( -0.915 -0.020 -6.539) 6.603 8.184 ( 1.319 3.530 1.958) 4.246 8.251 ( 0.491 4.891 0.652) 4.958 8.263 ( 0.528 -1.460 -0.907) 1.798 8.366 ( 0.108 -0.647 -0.841) 1.066 8.423 ( -3.180 -2.737 -2.025) 4.659 8.457 ( 0.079 -4.531 1.479) 4.767 8.512 ( -2.713 -3.968 -2.527) 5.430 8.590 ( -1.094 1.372 -2.895) 3.385 8.640 ( -1.547 -2.182 0.738) 2.775 8.672 ( 5.903 6.636 -1.598) 9.024 8.752 ( 0.227 4.508 4.270) 6.213 8.819 ( 7.164 1.381 1.069) 7.374 8.890 ( 4.628 3.758 -0.798) 6.014 8.932 ( -2.002 -1.743 -0.252) 2.666 8.957 ( 4.951 -2.193 2.249) 5.864 9.131 ( -0.356 0.727 -1.366) 1.588 9.163 ( 3.374 5.951 -0.521) 6.861 9.215 ( 4.497 2.005 -0.029) 4.924 9.230 ( 0.090 3.356 1.346) 3.617 9.281 ( 1.463 -1.759 -4.545) 5.089 9.343 ( 4.864 0.541 -4.029) 6.339 9.467 ( 2.788 -0.011 2.799) 3.951 9.517 ( 3.298 -1.287 -1.083) 3.702 9.563 ( 2.720 -3.386 2.764) 5.148 9.612 ( 1.312 -0.406 0.146) 1.381 9.745 ( 4.893 -0.887 0.325) 4.983 9.787 ( 5.754 4.807 0.140) 7.499 9.817 ( 9.236 -1.668 -2.454) 9.701 9.896 ( 0.564 2.551 0.960) 2.783 10.026 ( 2.627 -1.251 1.969) 3.514 10.137 ( 14.292 -2.915 -0.130) 14.587 10.236 ( 4.486 3.262 -4.184) 6.948 10.310 ( 0.930 2.716 -2.790) 4.003 10.411 ( 16.696 -1.432 -1.928) 16.867 10.557 ( 11.370 -4.490 -4.719) 13.103 10.670 ( 7.031 1.773 7.516) 10.444 10.814 ( 5.016 8.187 -4.749) 10.712 10.854 ( 3.676 -6.329 4.891) 8.803 11.071 ( 5.988 -1.455 -10.352) 12.047 11.501 ( -1.326 0.317 -3.674) 3.919 11.562 ( 2.012 -1.468 0.753) 2.602 11.639 ( 3.583 5.073 4.123) 7.455 11.908 ( 12.909 -6.290 8.209) 16.541 12.634 ( -6.059 0.545 0.371) 6.095 12.771 ( -4.973 0.131 -1.893) 5.322 12.815 ( -3.287 -0.710 0.714) 3.438 12.974 ( -0.155 -2.500 -4.801) 5.416 13.858 ( -2.895 1.640 2.621) 4.236 13.955 ( 4.205 -1.637 0.418) 4.532 14.063 ( 4.135 5.877 2.629) 7.652 14.305 ( 4.814 -5.692 -1.810) 7.671 14.423 ( 0.357 1.790 3.922) 4.325 14.494 ( 0.095 -1.760 1.402) 2.252 14.599 ( 3.654 2.914 -4.302) 6.352 14.668 ( 4.570 -0.977 -8.271) 9.500 16.331 ( -2.908 0.772 8.449) 8.969 16.362 ( -2.379 -0.665 7.664) 8.053 16.525 ( -0.435 0.478 -8.117) 8.143 16.538 ( -0.222 -0.146 -9.127) 9.131 16.979 ( -0.850 1.653 -0.630) 1.963 17.052 ( -0.318 -1.422 0.114) 1.461 17.127 ( 0.908 0.321 -11.229) 11.270 17.158 ( 1.571 -0.677 -4.304) 4.631 17.345 ( -0.199 0.361 2.553) 2.586 17.389 ( -0.960 -2.135 -1.654) 2.866 17.470 ( -3.503 1.124 6.239) 7.243 17.491 ( -0.350 0.031 3.291) 3.310 17.565 ( 2.237 0.970 1.067) 2.661 17.584 ( 0.461 0.402 3.728) 3.778 17.730 ( 0.358 1.783 -2.155) 2.820 17.819 ( 2.975 3.178 -4.146) 6.012 17.843 ( -1.604 -2.946 -0.391) 3.377 17.964 ( 0.040 -0.215 -4.162) 4.168 17.997 ( 0.097 0.182 6.593) 6.597 18.027 ( -0.714 1.933 3.635) 4.179 18.061 ( 1.081 -0.915 1.235) 1.879 18.083 ( 1.605 -1.627 3.283) 4.000 18.161 ( 0.767 0.780 -4.385) 4.519 18.210 ( 2.295 -1.512 -2.186) 3.511 18.520 ( -1.693 2.550 5.390) 6.198 18.630 ( -0.073 -1.193 0.025) 1.196 18.683 ( -1.289 0.264 2.888) 3.174 18.755 ( 0.229 -1.637 1.801) 2.445 20.835 ( -18.953 0.473 0.269) 18.960 20.845 ( -18.978 1.169 0.114) 19.014 20.859 ( -18.884 -0.602 0.536) 18.901 20.941 ( -19.586 -4.740 -0.355) 20.154 21.237 ( -18.699 12.186 -2.058) 22.414 21.706 ( -0.394 -8.006 -4.668) 9.276 21.795 ( 10.857 0.197 -1.116) 10.916 21.806 ( 10.780 -0.367 -1.579) 10.901 21.885 ( 7.517 -1.336 -0.834) 7.680 21.941 ( 3.491 -2.947 -3.383) 5.685 22.039 ( 4.753 0.734 0.464) 4.832 22.135 ( 3.279 -2.022 3.712) 5.350 26.949 ( -0.984 0.135 1.321) 1.652 26.960 ( -0.667 -0.377 1.121) 1.357 27.019 ( 0.543 0.212 -0.923) 1.091 27.028 ( 0.300 -0.273 -1.192) 1.259 27.478 ( -1.119 0.516 2.566) 2.847 27.510 ( 0.271 -0.972 1.380) 1.710 27.529 ( 0.817 0.287 0.327) 0.926 27.545 ( 0.391 -0.359 0.396) 0.662 27.684 ( -0.804 0.448 -2.002) 2.203 27.705 ( 0.193 -0.476 -1.825) 1.896 27.789 ( 2.641 0.014 -0.317) 2.660 27.791 ( 2.412 -0.122 -0.378) 2.445 36.736 ( -6.216 1.515 -5.024) 8.135 36.803 ( -3.741 -1.980 -6.172) 7.484 36.924 ( 2.226 1.194 3.637) 4.428 36.994 ( 1.896 -3.084 5.650) 6.711 37.066 ( -1.018 2.059 3.752) 4.399 37.125 ( -0.656 0.397 3.202) 3.292 37.183 ( -4.454 -0.003 3.075) 5.412 37.220 ( -4.239 -3.251 1.190) 5.473 37.639 ( -5.877 4.104 6.068) 9.392 37.731 ( -11.674 0.907 2.005) 11.880 37.920 ( -8.742 4.448 4.520) 10.800 38.043 ( 2.291 19.309 -3.665) 19.787 38.100 ( -8.452 -3.162 4.722) 10.185 38.243 ( -7.775 2.543 0.880) 8.228 38.289 ( -4.891 4.434 0.973) 6.674 38.415 ( -5.291 2.157 0.770) 5.765 38.514 ( -6.142 5.026 -3.428) 8.645 38.637 ( 12.498 -9.500 -0.439) 15.704 38.839 ( 6.115 -12.279 -3.338) 14.118 39.109 ( 22.593 -7.038 -2.526) 23.798 39.385 ( 20.734 5.900 -1.855) 21.637 39.426 ( 20.031 -1.271 3.515) 20.377 39.659 ( 26.400 1.558 -0.447) 26.449 39.735 ( 29.890 -3.214 0.797) 30.073 ======================= Grid point 106 (59/84) ======================= q-point: (-0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -22.491 -1.106 11.071) 25.092 1.395 ( -13.045 10.459 16.913) 23.783 1.639 ( -10.286 -18.681 -2.525) 21.474 1.882 ( -8.097 -11.019 2.921) 13.983 2.222 ( -5.924 7.448 5.440) 10.962 2.299 ( -11.043 6.375 0.560) 12.763 2.425 ( -0.585 12.462 -6.028) 13.856 2.566 ( 6.160 8.200 3.085) 10.710 2.634 ( -10.412 8.238 -1.387) 13.350 2.725 ( -4.137 0.816 0.887) 4.309 2.846 ( 5.656 1.681 -0.124) 5.902 2.965 ( 2.540 0.668 5.870) 6.431 3.092 ( 0.730 7.548 1.906) 7.819 3.113 ( 5.267 -5.255 -4.004) 8.449 3.192 ( 3.207 4.281 -1.910) 5.680 3.397 ( 4.212 -4.302 -2.450) 6.500 3.554 ( -5.731 -0.200 -1.269) 5.873 3.619 ( 4.623 -5.223 -1.119) 7.064 3.661 ( -2.053 -9.639 1.305) 9.941 3.805 ( 1.614 -3.604 0.641) 4.000 3.954 ( 2.088 5.017 0.144) 5.436 4.032 ( 2.345 2.785 2.135) 4.220 4.157 ( -2.958 -3.532 2.700) 5.340 4.220 ( -8.196 -3.477 4.479) 9.966 4.348 ( 1.502 -4.053 -5.728) 7.176 4.448 ( -3.327 2.905 -2.338) 4.998 4.505 ( -6.130 0.055 -5.324) 8.119 4.528 ( -9.753 -1.695 -2.717) 10.265 4.590 ( -10.639 1.699 1.161) 10.836 4.640 ( -6.575 -0.105 -2.910) 7.191 4.735 ( -0.470 5.510 1.160) 5.651 4.868 ( -8.190 1.908 0.336) 8.416 5.000 ( -3.023 1.733 1.846) 3.943 5.106 ( -3.562 -4.730 4.091) 7.197 5.183 ( -7.093 -2.831 2.859) 8.155 5.289 ( -6.983 -3.837 2.448) 8.336 5.313 ( -6.520 -3.589 -5.454) 9.226 5.419 ( -2.401 -3.966 -9.029) 10.150 5.514 ( -0.010 4.734 4.309) 6.401 5.586 ( -6.117 4.066 0.969) 7.409 5.692 ( 1.050 -3.998 1.338) 4.345 5.781 ( -3.581 -3.139 2.983) 5.619 5.961 ( -2.401 2.230 4.704) 5.733 5.993 ( -4.401 3.936 0.913) 5.974 6.008 ( -5.054 4.549 -0.302) 6.806 6.187 ( -6.324 1.312 2.397) 6.889 6.227 ( -5.625 0.846 -7.441) 9.366 6.264 ( -1.028 -2.234 -4.629) 5.242 6.424 ( -7.783 1.791 -1.342) 8.099 6.449 ( -13.619 2.521 0.564) 13.861 6.508 ( -12.014 4.078 0.241) 12.690 6.587 ( -0.359 3.496 4.924) 6.049 6.649 ( -6.595 -2.584 6.158) 9.386 6.736 ( -6.120 5.544 -1.298) 8.359 6.789 ( 0.400 2.830 0.768) 2.959 6.908 ( -6.608 -7.715 -1.172) 10.225 6.983 ( -5.240 -4.988 -5.913) 9.344 7.037 ( -5.383 -1.885 -4.531) 7.284 7.121 ( 2.554 -8.361 1.780) 8.922 7.150 ( -0.436 -0.449 1.214) 1.366 7.243 ( -6.937 -5.421 -1.544) 8.938 7.338 ( -3.200 3.108 -1.452) 4.691 7.371 ( 0.690 -3.347 1.659) 3.799 7.445 ( -1.619 4.262 -5.586) 7.211 7.539 ( -1.671 -4.211 2.128) 5.006 7.665 ( -3.968 -1.154 5.376) 6.780 7.681 ( -3.081 -4.424 2.273) 5.851 7.731 ( -5.687 0.340 1.343) 5.853 7.797 ( -6.253 -3.340 2.831) 7.634 7.856 ( -2.586 -2.631 3.264) 4.926 7.903 ( -0.286 -0.992 6.005) 6.093 8.018 ( -3.605 5.935 -0.330) 6.952 8.042 ( -1.975 -8.854 -5.361) 10.537 8.168 ( -6.909 5.307 1.120) 8.783 8.246 ( -5.993 1.754 -2.237) 6.633 8.262 ( 1.399 1.089 0.994) 2.033 8.306 ( 1.744 5.448 0.167) 5.723 8.391 ( 2.408 -3.757 -1.130) 4.604 8.440 ( -2.301 -1.429 -3.638) 4.536 8.506 ( -3.363 -1.409 -0.886) 3.753 8.547 ( 2.642 -5.114 -4.450) 7.276 8.611 ( -0.500 -1.649 0.528) 1.802 8.742 ( 3.143 5.448 -1.028) 6.374 8.784 ( -0.718 8.192 3.467) 8.924 8.883 ( 0.517 -1.457 -0.646) 1.675 8.929 ( 4.312 -1.230 -0.606) 4.525 9.007 ( 2.001 0.508 1.356) 2.470 9.044 ( 3.386 -4.297 -0.450) 5.489 9.085 ( -1.392 0.564 -3.334) 3.656 9.184 ( 1.822 3.560 -8.155) 9.083 9.248 ( 3.476 -1.677 -8.953) 9.750 9.280 ( 2.473 -0.373 -2.791) 3.747 9.320 ( 7.103 8.629 3.149) 11.612 9.407 ( 4.557 1.478 -2.984) 5.644 9.476 ( 0.493 -0.092 2.306) 2.360 9.611 ( 3.571 0.446 0.855) 3.699 9.630 ( 0.634 0.440 -5.120) 5.178 9.737 ( 7.151 -7.281 6.224) 11.953 9.789 ( 2.423 4.963 0.016) 5.523 9.836 ( 0.685 2.027 -2.015) 2.939 9.922 ( 1.227 -0.363 3.983) 4.183 9.965 ( 6.538 -0.826 -0.108) 6.591 10.141 ( 0.371 4.580 -6.287) 7.787 10.227 ( 10.999 2.496 0.632) 11.296 10.381 ( 2.758 1.423 7.503) 8.120 10.524 ( 17.010 -5.984 2.150) 18.160 10.679 ( 11.095 -0.441 0.937) 11.143 10.767 ( 12.773 1.849 -2.499) 13.146 10.878 ( 11.553 0.874 -2.663) 11.888 10.934 ( 7.351 5.733 3.212) 9.860 11.015 ( 10.512 -5.605 -2.243) 12.122 11.170 ( 8.619 -0.877 3.946) 9.520 11.457 ( -0.574 -1.349 0.198) 1.479 11.604 ( 5.718 -4.606 -1.979) 7.605 11.806 ( 5.322 8.206 8.498) 12.957 12.173 ( 7.118 -9.321 3.923) 12.367 12.471 ( -8.158 0.590 -2.884) 8.673 12.641 ( -6.294 -7.995 -6.571) 12.112 12.699 ( -6.792 5.529 0.996) 8.814 12.930 ( -4.455 -2.471 3.441) 6.148 13.858 ( 2.240 8.387 -0.091) 8.682 14.083 ( 8.668 -1.299 -1.627) 8.914 14.176 ( 5.779 5.778 0.859) 8.217 14.369 ( 3.457 -3.807 -2.194) 5.591 14.469 ( 0.873 1.144 2.188) 2.619 14.530 ( 2.292 -2.434 2.843) 4.389 14.640 ( 3.481 3.154 -2.764) 5.450 14.712 ( 5.790 -0.823 -5.142) 7.787 16.304 ( -5.289 1.070 3.948) 6.686 16.376 ( -2.423 -2.626 5.430) 6.500 16.442 ( 0.241 0.721 -10.233) 10.261 16.458 ( 0.297 -0.183 -9.100) 9.107 16.958 ( -0.811 1.932 -0.499) 2.154 17.040 ( 0.153 -1.551 -3.090) 3.461 17.057 ( -0.431 1.800 -5.365) 5.675 17.166 ( 2.501 -1.159 -1.673) 3.225 17.344 ( -2.212 -1.901 0.350) 2.938 17.376 ( 0.629 -2.267 1.994) 3.083 17.466 ( -2.068 2.394 5.305) 6.177 17.522 ( -0.549 -0.347 5.581) 5.619 17.583 ( 0.410 3.735 -1.797) 4.165 17.637 ( 1.443 0.477 3.639) 3.943 17.734 ( 1.528 1.048 -0.993) 2.102 17.797 ( -1.485 -1.745 -1.769) 2.895 17.846 ( 2.984 2.440 -4.170) 5.679 17.922 ( -0.168 1.440 -4.604) 4.827 18.014 ( -1.216 -1.378 -2.799) 3.348 18.047 ( 1.727 -0.397 0.668) 1.894 18.092 ( 1.113 1.898 4.423) 4.940 18.169 ( 1.940 -0.972 4.482) 4.980 18.188 ( 2.415 0.051 3.450) 4.212 18.250 ( 2.377 -1.681 0.723) 3.000 18.531 ( -1.560 2.107 5.017) 5.661 18.636 ( 1.020 0.931 -1.077) 1.752 18.702 ( -0.150 -1.683 5.681) 5.928 18.784 ( 0.902 -2.314 2.668) 3.646 20.490 ( -16.514 0.348 0.540) 16.526 20.495 ( -16.725 0.576 -0.022) 16.735 20.517 ( -16.833 -0.351 1.441) 16.899 20.566 ( -18.120 -3.213 -0.378) 18.406 20.793 ( -23.426 10.366 -3.733) 25.888 21.344 ( -23.905 -17.280 -20.725) 36.049 21.964 ( 7.129 0.073 -0.177) 7.132 21.971 ( 7.245 -0.344 -0.619) 7.280 22.005 ( 6.392 0.744 -1.297) 6.565 22.046 ( 5.395 -1.458 0.095) 5.589 22.134 ( 3.317 1.887 1.028) 3.952 22.195 ( 1.022 -1.020 1.582) 2.142 26.937 ( -1.041 0.342 1.029) 1.503 26.960 ( -0.444 -0.718 1.505) 1.726 27.021 ( 0.196 0.200 -0.740) 0.792 27.025 ( 0.388 0.006 -0.568) 0.688 27.481 ( -0.690 0.676 2.562) 2.738 27.525 ( 0.255 -1.491 1.166) 1.910 27.553 ( 1.304 0.218 0.465) 1.401 27.560 ( 0.665 0.065 0.951) 1.162 27.656 ( -0.220 0.993 -2.286) 2.502 27.697 ( 0.734 -0.871 -2.330) 2.593 27.837 ( 2.367 0.099 0.264) 2.384 27.843 ( 2.836 -0.128 0.085) 2.840 36.605 ( -3.704 2.148 -3.211) 5.352 36.694 ( -2.541 -2.273 -5.035) 6.081 36.961 ( -0.989 2.490 1.498) 3.070 37.025 ( -1.417 -0.599 5.662) 5.867 37.070 ( -4.032 -0.571 4.889) 6.363 37.122 ( -1.577 1.986 4.480) 5.148 37.156 ( -2.795 -4.489 1.994) 5.652 37.238 ( 1.352 -5.742 10.068) 11.669 37.519 ( -10.204 0.787 2.470) 10.528 37.545 ( -8.264 -0.202 0.682) 8.295 37.833 ( -2.725 3.473 6.916) 8.205 37.964 ( -2.684 7.757 -0.087) 8.208 38.008 ( -7.039 -1.385 0.071) 7.174 38.152 ( -5.126 -0.856 -0.923) 5.278 38.256 ( -2.188 11.335 0.659) 11.563 38.407 ( -0.047 6.064 -8.679) 10.588 38.555 ( 12.404 9.228 1.223) 15.509 38.879 ( 12.313 -14.569 -2.505) 19.239 39.006 ( 21.370 6.662 10.096) 24.556 39.572 ( 22.432 4.734 4.718) 23.407 39.763 ( 16.123 8.337 5.327) 18.916 39.893 ( 26.737 -11.902 -1.927) 29.330 40.160 ( 24.645 1.957 -0.057) 24.722 40.312 ( 27.376 -5.136 2.634) 27.977 ======================= Grid point 107 (60/84) ======================= q-point: (-0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( -12.362 3.530 22.096) 25.563 1.222 ( -18.407 8.750 17.355) 26.769 1.523 ( -0.248 -16.146 3.138) 16.450 1.735 ( -8.001 -11.512 1.245) 14.074 2.138 ( -7.599 17.275 18.114) 26.159 2.209 ( 1.300 16.117 -7.327) 17.752 2.325 ( -2.565 6.358 -5.746) 8.946 2.402 ( -11.415 10.114 1.189) 15.297 2.476 ( -5.459 2.333 -4.386) 7.381 2.813 ( 4.498 -2.814 -7.555) 9.231 2.957 ( 3.161 1.870 5.338) 6.480 3.081 ( 0.913 5.957 1.673) 6.254 3.108 ( 2.572 3.445 2.757) 5.107 3.201 ( 6.483 -2.740 0.781) 7.081 3.274 ( 5.089 4.431 -2.098) 7.067 3.432 ( -1.088 -6.148 -0.108) 6.244 3.486 ( 6.351 -2.657 -5.751) 8.971 3.662 ( 3.892 -7.846 0.452) 8.770 3.680 ( -0.961 -1.817 2.147) 2.972 3.850 ( -1.205 -3.070 3.663) 4.929 3.974 ( -10.759 2.445 -3.743) 11.651 4.013 ( -0.130 5.952 2.693) 6.535 4.097 ( -7.410 -5.711 4.002) 10.175 4.112 ( -2.206 -4.729 3.543) 6.308 4.241 ( -5.750 -3.234 -1.528) 6.772 4.271 ( -4.406 0.914 -6.753) 8.114 4.388 ( -12.356 0.457 3.407) 12.826 4.425 ( 2.636 2.848 -1.652) 4.218 4.476 ( 0.411 -7.722 -1.604) 7.897 4.524 ( -2.558 -0.636 4.544) 5.253 4.727 ( -2.344 2.642 -0.198) 3.538 4.783 ( 0.222 1.219 -2.627) 2.905 4.973 ( -1.951 2.673 2.117) 3.928 5.042 ( -9.216 -3.655 1.301) 9.999 5.089 ( -4.772 -4.720 2.705) 7.237 5.153 ( -3.282 2.290 -0.831) 4.088 5.212 ( -2.177 -5.807 0.657) 6.237 5.280 ( -3.246 -1.809 -7.658) 8.512 5.500 ( -1.819 -0.033 -0.524) 1.894 5.534 ( -2.079 1.192 4.289) 4.913 5.687 ( -1.117 -2.513 0.843) 2.876 5.780 ( 0.340 -2.765 2.828) 3.970 5.866 ( -8.464 3.245 -1.055) 9.126 5.903 ( -5.118 5.640 1.407) 7.745 5.948 ( -3.696 1.401 3.092) 5.018 6.042 ( -5.331 0.669 0.938) 5.454 6.083 ( -3.757 -0.200 -7.826) 8.683 6.140 ( -6.243 4.020 -5.804) 9.424 6.264 ( -1.937 0.120 0.400) 1.981 6.271 ( -8.583 -2.206 1.915) 9.067 6.368 ( -5.782 -0.221 2.011) 6.125 6.496 ( -7.457 0.552 4.239) 8.595 6.573 ( -6.200 5.836 -0.701) 8.543 6.688 ( -4.488 -0.026 -1.617) 4.770 6.774 ( 1.973 1.248 -2.035) 3.097 6.859 ( 1.884 -1.445 -7.777) 8.132 6.866 ( 2.123 -4.100 -0.611) 4.658 6.953 ( -1.787 1.341 1.854) 2.903 7.095 ( -6.429 -1.367 -0.033) 6.573 7.141 ( 2.244 -1.219 -0.654) 2.636 7.244 ( 3.906 -4.601 -3.267) 6.863 7.314 ( 2.669 0.452 0.457) 2.745 7.375 ( -7.345 -12.843 -1.834) 14.909 7.391 ( -0.819 3.936 -3.294) 5.198 7.417 ( -5.366 1.799 0.507) 5.682 7.557 ( -1.095 4.882 -1.048) 5.112 7.657 ( -3.674 -0.211 3.978) 5.419 7.694 ( -4.924 -0.004 -2.291) 5.430 7.774 ( -6.802 -6.077 7.542) 11.835 7.810 ( 1.482 -3.994 3.219) 5.339 7.911 ( -4.297 -1.762 1.303) 4.824 7.968 ( -0.429 -2.784 2.009) 3.459 7.995 ( -0.568 0.496 0.853) 1.139 8.047 ( -3.605 5.978 -0.080) 6.982 8.167 ( -2.815 -6.046 2.248) 7.038 8.209 ( -0.706 0.542 -6.105) 6.170 8.328 ( -0.792 6.231 -1.767) 6.525 8.339 ( -3.649 0.408 -1.191) 3.860 8.428 ( 1.707 -1.713 -3.278) 4.074 8.506 ( -0.279 -0.363 2.266) 2.312 8.526 ( 0.946 -2.660 -1.650) 3.270 8.624 ( 0.866 -3.773 -0.732) 3.939 8.758 ( 0.688 4.167 -2.214) 4.769 8.820 ( 1.284 4.194 1.000) 4.499 8.874 ( 0.863 -2.004 -4.466) 4.971 8.966 ( -1.797 -2.428 -0.800) 3.125 9.018 ( 1.112 -1.106 -0.208) 1.582 9.045 ( 0.501 6.311 -3.131) 7.063 9.091 ( 0.793 -6.396 -1.459) 6.608 9.157 ( 2.182 0.310 -4.003) 4.570 9.267 ( 2.538 -0.246 -4.667) 5.318 9.285 ( 2.029 -0.591 -4.305) 4.796 9.445 ( 4.285 6.867 -1.678) 8.267 9.488 ( 3.857 3.880 0.205) 5.474 9.514 ( 1.108 -2.328 1.956) 3.236 9.599 ( 1.385 4.020 -1.879) 4.648 9.654 ( 1.332 -1.992 -1.749) 2.966 9.776 ( 0.499 -0.318 -4.015) 4.058 9.878 ( 3.145 2.338 4.700) 6.120 9.927 ( 3.063 0.191 4.166) 5.175 9.988 ( 2.703 1.502 3.987) 5.046 10.062 ( 3.143 -0.383 1.355) 3.444 10.144 ( 0.649 3.363 0.720) 3.500 10.340 ( 2.685 -3.070 1.524) 4.354 10.527 ( 5.059 8.316 4.066) 10.549 10.757 ( 6.878 -6.383 -1.773) 9.550 10.836 ( 5.750 0.736 -3.262) 6.652 10.973 ( 1.693 -2.115 -3.574) 4.485 11.049 ( 12.304 3.566 0.584) 12.823 11.068 ( 6.023 -0.874 2.654) 6.640 11.218 ( 12.144 -0.914 -3.387) 12.641 11.352 ( 5.083 12.527 -3.815) 14.047 11.595 ( 4.319 -17.257 17.543) 24.984 11.782 ( 12.830 -7.551 -0.398) 14.893 12.010 ( 10.202 4.896 9.115) 14.530 12.198 ( -4.802 -4.083 1.300) 6.436 12.353 ( -0.796 -0.592 -3.474) 3.613 12.436 ( -7.401 -8.479 -2.444) 11.517 12.602 ( -5.173 5.817 1.872) 8.006 12.842 ( -8.472 -5.185 4.913) 11.082 13.927 ( 4.323 13.668 -0.899) 14.364 14.222 ( 6.197 -2.556 -2.791) 7.261 14.294 ( 6.860 6.803 -2.421) 9.960 14.391 ( 0.965 -3.291 -3.665) 5.020 14.496 ( 1.595 1.178 -0.276) 2.002 14.609 ( 2.786 -0.647 1.456) 3.209 14.680 ( 1.911 4.222 -0.878) 4.717 14.797 ( 5.694 -1.424 -2.966) 6.576 16.204 ( -6.211 1.885 -0.047) 6.491 16.317 ( -1.900 -1.822 -5.958) 6.514 16.387 ( -0.142 -2.455 -7.282) 7.686 16.412 ( 2.515 -1.654 -9.003) 9.493 16.926 ( -0.345 1.127 -3.948) 4.120 17.017 ( -0.866 -1.642 -2.860) 3.409 17.038 ( 0.884 3.784 1.512) 4.170 17.242 ( 4.335 2.137 0.904) 4.917 17.318 ( -1.401 -2.871 3.700) 4.888 17.399 ( -0.433 -1.623 2.284) 2.836 17.472 ( -0.180 1.470 1.696) 2.251 17.554 ( -1.469 -1.519 6.892) 7.209 17.570 ( 0.046 5.721 -2.362) 6.189 17.691 ( 1.351 -0.976 2.412) 2.932 17.762 ( 1.265 -1.195 -1.313) 2.180 17.770 ( 0.556 0.165 -0.598) 0.833 17.871 ( 2.312 1.428 -3.089) 4.115 17.892 ( 0.552 2.465 -2.518) 3.566 17.947 ( -1.949 -0.367 -4.807) 5.200 18.084 ( 1.949 -0.738 -0.738) 2.211 18.165 ( 2.091 1.467 4.266) 4.972 18.222 ( 1.639 1.654 0.992) 2.532 18.268 ( 1.167 -3.466 5.193) 6.351 18.315 ( 2.352 -1.649 3.504) 4.531 18.547 ( -0.548 3.371 4.008) 5.266 18.647 ( 0.949 2.948 -1.192) 3.318 18.767 ( 1.129 -3.516 6.736) 7.682 18.830 ( 1.031 -3.227 3.394) 4.796 20.220 ( -10.846 0.228 -0.157) 10.850 20.231 ( -10.144 -0.234 0.050) 10.147 20.258 ( -10.298 0.063 0.829) 10.332 20.272 ( -11.144 -0.837 0.044) 11.175 20.345 ( -18.070 3.484 -1.888) 18.500 20.567 ( -34.311 -8.173 -14.544) 38.152 22.069 ( 3.794 0.082 0.329) 3.809 22.075 ( 3.808 -0.175 -0.167) 3.816 22.093 ( 3.382 0.630 -0.519) 3.479 22.121 ( 2.356 -0.823 0.042) 2.496 22.182 ( 1.109 0.877 0.633) 1.549 22.210 ( -0.254 -0.438 0.723) 0.883 26.929 ( -0.685 0.628 1.221) 1.534 26.966 ( -0.273 -1.155 1.502) 1.915 27.017 ( 0.002 0.592 -0.594) 0.838 27.029 ( 0.214 -0.088 -0.124) 0.262 27.493 ( -0.425 0.823 2.701) 2.855 27.541 ( -0.042 -1.570 1.780) 2.374 27.577 ( 0.797 0.436 0.627) 1.104 27.587 ( 0.800 -0.114 1.066) 1.338 27.641 ( 0.661 1.398 -2.292) 2.765 27.693 ( 0.960 -1.055 -2.648) 3.008 27.884 ( 1.940 0.237 0.608) 2.047 27.893 ( 2.066 -0.170 0.153) 2.079 36.540 ( -1.271 2.041 -1.294) 2.730 36.623 ( -0.947 -1.919 -3.939) 4.482 36.956 ( -0.890 1.219 2.786) 3.169 36.990 ( -3.104 -0.142 2.865) 4.226 37.055 ( -2.239 -0.509 3.394) 4.098 37.123 ( -1.893 -4.062 2.945) 5.363 37.181 ( 0.305 2.885 7.404) 7.952 37.294 ( -2.820 -2.299 1.079) 3.795 37.387 ( -3.392 -2.191 5.937) 7.180 37.438 ( -3.375 -2.588 2.863) 5.126 37.866 ( -3.454 3.396 1.124) 4.972 37.883 ( -0.597 2.604 3.170) 4.145 37.970 ( -1.022 3.456 4.226) 5.554 38.069 ( -3.115 -0.323 1.862) 3.644 38.221 ( -1.920 14.010 1.074) 14.182 38.333 ( 1.091 7.445 -11.294) 13.571 38.607 ( 3.227 -6.744 -16.496) 18.112 38.935 ( 3.612 -16.261 -11.590) 20.292 39.834 ( 22.773 10.637 11.778) 27.758 40.046 ( 13.893 7.777 6.812) 17.318 40.128 ( 26.871 2.714 9.339) 28.577 40.358 ( 22.219 -11.220 -4.646) 25.321 40.618 ( 24.364 4.569 3.667) 25.058 40.779 ( 17.326 -3.734 1.284) 17.770 ======================= Grid point 108 (61/84) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( 5.683 -9.819 20.183) 23.153 1.312 ( 5.683 9.819 20.183) 23.153 1.490 ( 1.832 -2.964 15.588) 15.973 1.490 ( 1.832 2.964 15.588) 15.973 2.224 ( -4.739 -6.752 -9.057) 12.250 2.224 ( -4.739 6.752 -9.057) 12.250 2.456 ( 1.676 -6.071 -0.134) 6.300 2.456 ( 1.676 6.071 -0.134) 6.300 2.557 ( 3.162 -14.699 -18.574) 23.897 2.557 ( 3.162 14.699 -18.574) 23.897 3.045 ( -1.827 -6.329 -2.025) 6.892 3.045 ( -1.827 6.329 -2.025) 6.892 3.279 ( 4.401 -6.413 14.547) 16.496 3.279 ( 4.401 6.413 14.547) 16.496 3.408 ( -0.425 -4.566 -1.216) 4.744 3.408 ( -0.425 4.566 -1.216) 4.744 3.562 ( -2.005 -7.238 1.575) 7.673 3.562 ( -2.005 7.238 1.575) 7.673 3.774 ( -0.353 -6.330 2.963) 6.998 3.774 ( -0.353 6.330 2.963) 6.998 3.916 ( 3.474 -5.834 4.050) 7.906 3.916 ( 3.474 5.834 4.050) 7.906 4.044 ( -7.603 -4.029 3.170) 9.170 4.044 ( -7.603 4.029 3.170) 9.170 4.167 ( -0.787 -10.958 0.798) 11.015 4.167 ( -0.787 10.958 0.798) 11.015 4.330 ( 2.716 -6.692 -0.548) 7.243 4.330 ( 2.716 6.692 -0.548) 7.243 4.536 ( -0.455 -4.053 0.854) 4.167 4.536 ( -0.455 4.053 0.854) 4.167 4.688 ( -1.427 -4.568 -6.798) 8.314 4.688 ( -1.427 4.568 -6.798) 8.314 4.854 ( -3.845 -2.872 1.812) 5.130 4.854 ( -3.845 2.872 1.812) 5.130 5.142 ( 1.690 -2.410 -2.179) 3.662 5.142 ( 1.690 2.410 -2.179) 3.662 5.191 ( 3.523 -3.984 1.294) 5.474 5.191 ( 3.523 3.984 1.294) 5.474 5.497 ( -0.238 -2.370 -1.337) 2.732 5.497 ( -0.238 2.370 -1.337) 2.732 5.783 ( 2.156 -2.340 6.013) 6.802 5.783 ( 2.156 2.340 6.013) 6.802 5.812 ( -3.125 -2.538 1.214) 4.204 5.812 ( -3.125 2.538 1.214) 4.204 5.961 ( -0.314 -5.557 -3.405) 6.525 5.961 ( -0.314 5.557 -3.405) 6.525 6.036 ( -3.736 -4.828 -0.918) 6.174 6.036 ( -3.736 4.828 -0.918) 6.174 6.169 ( 2.569 -7.860 -0.440) 8.280 6.169 ( 2.569 7.860 -0.440) 8.280 6.333 ( -2.796 -4.594 1.205) 5.511 6.333 ( -2.796 4.594 1.205) 5.511 6.619 ( -0.291 -9.105 -2.433) 9.429 6.619 ( -0.291 9.105 -2.433) 9.429 6.781 ( -1.293 -6.264 0.699) 6.434 6.781 ( -1.293 6.264 0.699) 6.434 6.980 ( -0.010 -1.236 3.144) 3.379 6.980 ( -0.010 1.236 3.144) 3.379 7.057 ( 5.794 -4.420 -10.472) 12.758 7.057 ( 5.794 4.420 -10.472) 12.758 7.230 ( -0.766 -1.376 -2.812) 3.223 7.230 ( -0.766 1.376 -2.812) 3.223 7.350 ( -3.762 -1.740 6.081) 7.360 7.350 ( -3.762 1.740 6.081) 7.360 7.459 ( 0.599 -6.040 0.875) 6.133 7.459 ( 0.599 6.040 0.875) 6.133 7.690 ( -0.732 -1.872 1.466) 2.488 7.690 ( -0.732 1.872 1.466) 2.488 7.736 ( 1.134 -4.760 -0.582) 4.928 7.736 ( 1.134 4.760 -0.582) 4.928 7.889 ( 1.064 -3.208 3.841) 5.116 7.889 ( 1.064 3.208 3.841) 5.116 8.031 ( -1.270 -3.384 -0.776) 3.697 8.031 ( -1.270 3.384 -0.776) 3.697 8.162 ( -0.105 -6.669 -2.050) 6.977 8.162 ( -0.105 6.669 -2.050) 6.977 8.284 ( -2.065 -6.383 2.772) 7.259 8.284 ( -2.065 6.383 2.772) 7.259 8.435 ( -1.149 -4.697 -2.599) 5.490 8.435 ( -1.149 4.697 -2.599) 5.490 8.575 ( 1.366 -2.701 0.522) 3.072 8.575 ( 1.366 2.701 0.522) 3.072 8.814 ( -0.570 -1.969 -6.693) 7.000 8.814 ( -0.570 1.969 -6.693) 7.000 8.864 ( 1.204 -2.126 -3.753) 4.478 8.864 ( 1.204 2.126 -3.753) 4.478 9.025 ( 0.197 -3.839 -0.769) 3.921 9.025 ( 0.197 3.839 -0.769) 3.921 9.117 ( -1.860 -2.054 2.713) 3.878 9.117 ( -1.860 2.054 2.713) 3.878 9.299 ( 1.841 -1.149 -2.625) 3.406 9.299 ( 1.841 1.149 -2.625) 3.406 9.538 ( 1.926 -0.229 -1.666) 2.557 9.538 ( 1.926 0.229 -1.666) 2.557 9.582 ( -0.100 -4.240 -0.525) 4.273 9.582 ( -0.100 4.240 -0.525) 4.273 9.734 ( 0.930 -5.643 0.408) 5.733 9.734 ( 0.930 5.643 0.408) 5.733 9.917 ( -3.306 -1.758 0.361) 3.762 9.917 ( -3.306 1.758 0.361) 3.762 10.102 ( 1.859 -3.025 2.892) 4.579 10.102 ( 1.859 3.025 2.892) 4.579 10.274 ( -0.155 -6.558 1.353) 6.698 10.274 ( -0.155 6.558 1.353) 6.698 10.758 ( 1.318 -5.719 0.957) 5.946 10.758 ( 1.318 5.719 0.957) 5.946 10.848 ( -3.989 -4.690 -2.877) 6.796 10.848 ( -3.989 4.690 -2.877) 6.796 11.205 ( 4.799 -6.871 2.247) 8.677 11.205 ( 4.799 6.871 2.247) 8.677 11.420 ( -2.289 -5.700 3.107) 6.884 11.420 ( -2.289 5.700 3.107) 6.884 11.714 ( 3.498 -13.957 -2.009) 14.528 11.714 ( 3.498 13.957 -2.009) 14.528 12.128 ( -6.740 -5.072 5.260) 9.941 12.128 ( -6.740 5.072 5.260) 9.941 12.398 ( 8.518 -3.425 -1.270) 9.269 12.398 ( 8.518 3.425 -1.270) 9.269 12.614 ( -1.872 -1.824 2.261) 3.455 12.614 ( -1.872 1.824 2.261) 3.455 14.147 ( -1.332 -7.285 0.729) 7.441 14.147 ( -1.332 7.285 0.729) 7.441 14.369 ( 0.837 -2.022 -8.147) 8.435 14.369 ( 0.837 2.022 -8.147) 8.435 14.604 ( 0.076 -4.237 0.411) 4.257 14.604 ( 0.076 4.237 0.411) 4.257 14.787 ( 1.450 -4.801 -2.236) 5.491 14.787 ( 1.450 4.801 -2.236) 5.491 16.150 ( -4.424 -4.230 -0.182) 6.124 16.150 ( -4.424 4.230 -0.182) 6.124 16.356 ( 4.949 -3.063 -11.427) 12.824 16.356 ( 4.949 3.063 -11.427) 12.824 16.926 ( 0.330 -2.150 -3.779) 4.360 16.926 ( 0.330 2.150 -3.779) 4.360 17.241 ( 0.211 -8.914 6.906) 11.278 17.241 ( 0.211 8.914 6.906) 11.278 17.378 ( 0.322 -4.754 2.578) 5.418 17.378 ( 0.322 4.754 2.578) 5.418 17.515 ( -0.861 -3.718 2.822) 4.746 17.515 ( -0.861 3.718 2.822) 4.746 17.635 ( -1.171 -3.924 -0.841) 4.180 17.635 ( -1.171 3.924 -0.841) 4.180 17.774 ( -0.049 -1.046 -0.437) 1.135 17.774 ( -0.049 1.046 -0.437) 1.135 17.869 ( -0.847 -0.350 -2.256) 2.435 17.869 ( -0.847 0.350 -2.256) 2.435 18.004 ( 1.482 -7.478 -5.342) 9.308 18.004 ( 1.482 7.478 -5.342) 9.308 18.258 ( 0.481 -2.252 4.179) 4.771 18.258 ( 0.481 2.252 4.179) 4.771 18.310 ( -0.061 -3.439 1.654) 3.817 18.310 ( -0.061 3.439 1.654) 3.817 18.656 ( -1.527 -4.403 1.934) 5.045 18.656 ( -1.527 4.403 1.934) 5.045 18.793 ( -0.541 -2.633 3.729) 4.597 18.793 ( -0.541 2.633 3.729) 4.597 20.108 ( -0.414 -0.009 -0.350) 0.543 20.108 ( -0.414 0.009 -0.350) 0.543 20.141 ( 0.033 -0.028 -0.052) 0.068 20.141 ( 0.033 0.028 -0.052) 0.068 20.170 ( 0.035 -0.011 0.324) 0.326 20.170 ( 0.035 0.011 0.324) 0.326 22.117 ( 0.658 -0.105 0.235) 0.707 22.117 ( 0.658 0.105 0.235) 0.707 22.131 ( 0.021 -0.440 -0.511) 0.674 22.131 ( 0.021 0.440 -0.511) 0.674 22.198 ( -0.819 -0.236 0.713) 1.111 22.198 ( -0.819 0.236 0.713) 1.111 26.950 ( -0.174 -1.204 1.298) 1.779 26.950 ( -0.174 1.204 1.298) 1.779 27.023 ( -0.084 -0.527 -0.216) 0.576 27.023 ( -0.084 0.527 -0.216) 0.576 27.525 ( -0.717 -1.309 2.504) 2.915 27.525 ( -0.717 1.309 2.504) 2.915 27.592 ( -0.463 -0.108 0.356) 0.594 27.592 ( -0.463 0.108 0.356) 0.594 27.670 ( 1.184 -1.310 -2.242) 2.854 27.670 ( 1.184 1.310 -2.242) 2.854 27.915 ( 0.257 -0.214 0.210) 0.395 27.915 ( 0.257 0.214 0.210) 0.395 36.562 ( 0.816 -1.937 -1.875) 2.817 36.562 ( 0.816 1.937 -1.875) 2.817 36.967 ( -0.320 -0.466 1.696) 1.788 36.967 ( -0.320 0.466 1.696) 1.788 37.083 ( 0.516 -1.860 4.186) 4.610 37.083 ( 0.516 1.860 4.186) 4.610 37.227 ( -0.949 -0.451 -1.785) 2.071 37.227 ( -0.949 0.451 -1.785) 2.071 37.438 ( 1.242 -0.678 10.362) 10.458 37.438 ( 1.242 0.678 10.362) 10.458 37.867 ( 0.071 -2.072 0.207) 2.083 37.867 ( 0.071 2.072 0.207) 2.083 38.085 ( -0.859 -1.213 6.147) 6.324 38.085 ( -0.859 1.213 6.147) 6.324 38.317 ( -2.097 -8.094 -11.464) 14.190 38.317 ( -2.097 8.094 -11.464) 14.190 38.576 ( 0.115 -17.424 -5.796) 18.363 38.576 ( 0.115 17.424 -5.796) 18.363 40.236 ( 0.395 -5.384 3.536) 6.453 40.236 ( 0.395 5.384 3.536) 6.453 40.416 ( 2.008 -3.020 -4.554) 5.822 40.416 ( 2.008 3.020 -4.554) 5.822 40.945 ( 0.213 -2.825 -1.637) 3.272 40.945 ( 0.213 2.825 -1.637) 3.272 ======================= Grid point 110 (62/84) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.616 ( 11.319 -14.734 13.109) 22.738 1.616 ( 11.319 14.734 13.109) 22.738 1.803 ( 11.883 -10.332 15.150) 21.851 1.803 ( 11.883 10.332 15.150) 21.851 2.083 ( 0.979 -4.050 -11.404) 12.141 2.083 ( 0.979 4.050 -11.404) 12.141 2.389 ( -1.288 -9.305 -11.411) 14.780 2.389 ( -1.288 9.305 -11.411) 14.780 2.543 ( 4.971 -7.430 -6.814) 11.240 2.543 ( 4.971 7.430 -6.814) 11.240 3.024 ( 0.130 -7.706 0.803) 7.749 3.024 ( 0.130 7.706 0.803) 7.749 3.348 ( -6.741 -1.059 1.264) 6.940 3.348 ( -6.741 1.059 1.264) 6.940 3.419 ( -0.432 -7.407 0.127) 7.420 3.419 ( -0.432 7.407 0.127) 7.420 3.553 ( 5.018 -4.143 4.360) 7.833 3.553 ( 5.018 4.143 4.360) 7.833 3.774 ( -0.785 -5.290 3.389) 6.331 3.774 ( -0.785 5.290 3.389) 6.331 3.939 ( -3.718 -8.632 2.378) 9.694 3.939 ( -3.718 8.632 2.378) 9.694 4.111 ( -3.215 -6.530 0.969) 7.343 4.111 ( -3.215 6.530 0.969) 7.343 4.184 ( 10.569 -6.590 4.925) 13.394 4.184 ( 10.569 6.590 4.925) 13.394 4.364 ( 0.135 -5.219 -1.019) 5.319 4.364 ( 0.135 5.219 -1.019) 5.319 4.521 ( 0.674 -2.409 -0.074) 2.503 4.521 ( 0.674 2.409 -0.074) 2.503 4.673 ( 4.706 -5.420 -0.957) 7.241 4.673 ( 4.706 5.420 -0.957) 7.241 4.881 ( 3.199 -0.909 1.263) 3.557 4.881 ( 3.199 0.909 1.263) 3.557 5.167 ( 4.649 -0.825 -4.667) 6.638 5.167 ( 4.649 0.825 -4.667) 6.638 5.306 ( 5.592 -4.460 0.773) 7.195 5.306 ( 5.592 4.460 0.773) 7.195 5.488 ( 0.997 -1.312 -2.737) 3.194 5.488 ( 0.997 1.312 -2.737) 3.194 5.766 ( -0.296 -1.705 3.323) 3.746 5.766 ( -0.296 1.705 3.323) 3.746 5.864 ( 2.090 -1.618 -3.152) 4.113 5.864 ( 2.090 1.618 -3.152) 4.113 6.015 ( 4.428 -3.501 1.405) 5.817 6.015 ( 4.428 3.501 1.405) 5.817 6.076 ( 7.925 -5.667 3.529) 10.362 6.076 ( 7.925 5.667 3.529) 10.362 6.242 ( 3.461 -5.806 3.135) 7.451 6.242 ( 3.461 5.806 3.135) 7.451 6.353 ( 3.940 -3.906 0.762) 5.600 6.353 ( 3.940 3.906 0.762) 5.600 6.652 ( 4.765 -9.511 -0.188) 10.639 6.652 ( 4.765 9.511 -0.188) 10.639 6.783 ( 1.484 -5.064 -1.125) 5.396 6.783 ( 1.484 5.064 -1.125) 5.396 6.994 ( -0.891 -2.202 2.976) 3.808 6.994 ( -0.891 2.202 2.976) 3.808 7.079 ( 6.929 -2.101 -12.328) 14.297 7.079 ( 6.929 2.101 -12.328) 14.297 7.169 ( -1.380 -4.182 -1.640) 4.699 7.169 ( -1.380 4.182 -1.640) 4.699 7.341 ( -1.761 -3.488 5.968) 7.133 7.341 ( -1.761 3.488 5.968) 7.133 7.575 ( 6.623 -2.321 2.326) 7.393 7.575 ( 6.623 2.321 2.326) 7.393 7.684 ( 0.627 -3.922 0.604) 4.018 7.684 ( 0.627 3.922 0.604) 4.018 7.789 ( 3.975 -2.447 0.453) 4.690 7.789 ( 3.975 2.447 0.453) 4.690 7.945 ( 0.562 -1.768 2.739) 3.308 7.945 ( 0.562 1.768 2.739) 3.308 8.034 ( 0.458 -1.891 1.567) 2.498 8.034 ( 0.458 1.891 1.567) 2.498 8.089 ( -1.481 -5.665 -4.697) 7.506 8.089 ( -1.481 5.665 -4.697) 7.506 8.297 ( -2.206 -6.083 1.845) 6.729 8.297 ( -2.206 6.083 1.845) 6.729 8.416 ( 1.304 -2.556 2.645) 3.903 8.416 ( 1.304 2.556 2.645) 3.903 8.598 ( 0.918 -2.172 0.207) 2.367 8.598 ( 0.918 2.172 0.207) 2.367 8.754 ( -0.178 -3.832 -6.497) 7.545 8.754 ( -0.178 3.832 -6.497) 7.545 8.852 ( 0.992 -5.619 -4.445) 7.233 8.852 ( 0.992 5.619 -4.445) 7.233 9.022 ( -0.200 -1.605 0.095) 1.620 9.022 ( -0.200 1.605 0.095) 1.620 9.105 ( -2.361 -1.136 3.381) 4.278 9.105 ( -2.361 1.136 3.381) 4.278 9.290 ( -0.461 -1.240 -2.716) 3.021 9.290 ( -0.461 1.240 -2.716) 3.021 9.517 ( -1.932 -1.968 -3.334) 4.327 9.517 ( -1.932 1.968 -3.334) 4.327 9.561 ( -1.577 -3.512 0.076) 3.851 9.561 ( -1.577 3.512 0.076) 3.851 9.740 ( -1.860 -4.893 0.432) 5.253 9.740 ( -1.860 4.893 0.432) 5.253 9.852 ( -3.398 -7.219 2.157) 8.266 9.852 ( -3.398 7.219 2.157) 8.266 10.122 ( -1.618 -4.166 0.585) 4.507 10.122 ( -1.618 4.166 0.585) 4.507 10.254 ( -2.916 -3.415 1.133) 4.631 10.254 ( -2.916 3.415 1.133) 4.631 10.703 ( -8.153 -7.712 1.075) 11.274 10.703 ( -8.153 7.712 1.075) 11.274 10.738 ( -4.833 -4.602 -2.005) 6.968 10.738 ( -4.833 4.602 -2.005) 6.968 11.240 ( -2.956 -8.757 -3.110) 9.752 11.240 ( -2.956 8.757 -3.110) 9.752 11.321 ( -8.043 -7.746 4.518) 12.046 11.321 ( -8.043 7.746 4.518) 12.046 11.689 ( -4.299 -16.260 -4.299) 17.359 11.689 ( -4.299 16.260 -4.299) 17.359 12.056 ( -4.634 -4.618 8.348) 10.606 12.056 ( -4.634 4.618 8.348) 10.606 12.395 ( -0.172 -1.973 -5.952) 6.272 12.395 ( -0.172 1.973 -5.952) 6.272 12.796 ( 11.560 -9.614 1.910) 15.157 12.796 ( 11.560 9.614 1.910) 15.157 14.087 ( -5.433 -4.597 1.017) 7.189 14.087 ( -5.433 4.597 1.017) 7.189 14.258 ( -5.567 -5.211 -4.875) 9.050 14.258 ( -5.567 5.211 -4.875) 9.050 14.588 ( -1.949 -3.717 1.678) 4.520 14.588 ( -1.949 3.717 1.678) 4.520 14.782 ( 0.278 -4.449 -2.922) 5.330 14.782 ( 0.278 4.449 -2.922) 5.330 16.104 ( -0.626 -3.188 1.095) 3.428 16.104 ( -0.626 3.188 1.095) 3.428 16.389 ( 6.806 -3.783 -8.573) 11.581 16.389 ( 6.806 3.783 -8.573) 11.581 16.917 ( 1.395 -0.886 -2.444) 2.950 16.917 ( 1.395 0.886 -2.444) 2.950 17.268 ( -2.118 -7.748 4.565) 9.239 17.268 ( -2.118 7.748 4.565) 9.239 17.402 ( 0.261 -3.784 2.145) 4.357 17.402 ( 0.261 3.784 2.145) 4.357 17.529 ( -0.761 -2.183 3.052) 3.828 17.529 ( -0.761 2.183 3.052) 3.828 17.603 ( -0.882 -4.888 -0.089) 4.968 17.603 ( -0.882 4.888 -0.089) 4.968 17.750 ( -1.802 -2.329 -1.254) 3.201 17.750 ( -1.802 2.329 -1.254) 3.201 17.832 ( -1.905 -0.868 -0.011) 2.093 17.832 ( -1.905 0.868 -0.011) 2.093 17.984 ( 1.007 -6.117 -5.205) 8.095 17.984 ( 1.007 6.117 -5.205) 8.095 18.278 ( -0.902 -3.194 1.593) 3.681 18.278 ( -0.902 3.194 1.593) 3.681 18.309 ( -1.050 -2.007 1.590) 2.768 18.309 ( -1.050 2.007 1.590) 2.768 18.624 ( -2.983 -4.543 2.597) 6.023 18.624 ( -2.983 4.543 2.597) 6.023 18.798 ( -1.587 -2.237 2.753) 3.886 18.798 ( -1.587 2.237 2.753) 3.886 20.237 ( 11.644 -0.242 -0.171) 11.647 20.237 ( 11.644 0.242 -0.171) 11.647 20.286 ( 13.407 -0.982 0.974) 13.478 20.286 ( 13.407 0.982 0.974) 13.478 20.320 ( 16.010 -1.906 -2.564) 16.326 20.320 ( 16.010 1.906 -2.564) 16.326 22.093 ( -3.134 -0.527 -0.669) 3.248 22.093 ( -3.134 0.527 -0.669) 3.248 22.103 ( -2.621 -0.493 -0.279) 2.682 22.103 ( -2.621 0.493 -0.279) 2.682 22.182 ( -1.671 -0.485 1.401) 2.234 22.182 ( -1.671 0.485 1.401) 2.234 26.958 ( -0.110 -0.900 1.099) 1.425 26.958 ( -0.110 0.900 1.099) 1.425 27.021 ( 0.028 -0.619 -0.275) 0.678 27.021 ( 0.028 0.619 -0.275) 0.678 27.525 ( -1.310 -0.997 2.499) 2.992 27.525 ( -1.310 0.997 2.499) 2.992 27.573 ( -1.588 -0.249 0.125) 1.612 27.573 ( -1.588 0.249 0.125) 1.612 27.675 ( 1.204 -0.629 -2.239) 2.619 27.675 ( 1.204 0.629 -2.239) 2.619 27.902 ( -1.554 -0.214 -0.015) 1.569 27.902 ( -1.554 0.214 -0.015) 1.569 36.579 ( 2.388 -1.075 -1.975) 3.280 36.579 ( 2.388 1.075 -1.975) 3.280 36.990 ( 1.218 -1.211 1.158) 2.072 36.990 ( 1.218 1.211 1.158) 2.072 37.160 ( 3.697 -0.668 4.314) 5.721 37.160 ( 3.697 0.668 4.314) 5.721 37.221 ( 2.260 -1.370 -2.101) 3.376 37.221 ( 2.260 1.370 -2.101) 3.376 37.552 ( 2.439 -0.364 7.255) 7.663 37.552 ( 2.439 0.364 7.255) 7.663 37.907 ( 2.644 -2.175 2.123) 4.029 37.907 ( 2.644 2.175 2.123) 4.029 38.054 ( -2.110 -4.193 -6.375) 7.917 38.054 ( -2.110 4.193 -6.375) 7.917 38.233 ( -2.287 -3.736 2.753) 5.173 38.233 ( -2.287 3.736 2.753) 5.173 38.514 ( -1.509 -11.125 -4.844) 12.227 38.514 ( -1.509 11.125 -4.844) 12.227 40.141 ( -13.310 -4.612 1.531) 14.169 40.141 ( -13.310 4.612 1.531) 14.169 40.209 ( -17.486 -4.194 -3.614) 18.341 40.209 ( -17.486 4.194 -3.614) 18.341 40.731 ( -19.388 -3.583 1.422) 19.768 40.731 ( -19.388 3.583 1.422) 19.768 ======================= Grid point 112 (63/84) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 3.970 -8.226 -7.058) 11.544 1.856 ( 3.970 8.226 -7.058) 11.544 1.968 ( 12.679 -3.683 -6.393) 14.670 1.968 ( 12.679 3.683 -6.393) 14.670 2.253 ( 5.027 -6.569 9.572) 12.651 2.253 ( 5.027 6.569 9.572) 12.651 2.325 ( 7.026 -9.785 -1.792) 12.179 2.325 ( 7.026 9.785 -1.792) 12.179 2.617 ( 5.586 -4.318 -1.567) 7.232 2.617 ( 5.586 4.318 -1.567) 7.232 3.034 ( -2.599 -4.031 1.977) 5.188 3.034 ( -2.599 4.031 1.977) 5.188 3.211 ( -4.583 -3.567 -0.585) 5.837 3.211 ( -4.583 3.567 -0.585) 5.837 3.410 ( 1.637 -12.503 -3.863) 13.188 3.410 ( 1.637 12.503 -3.863) 13.188 3.587 ( -2.550 -3.860 -2.086) 5.074 3.587 ( -2.550 3.860 -2.086) 5.074 3.774 ( -4.736 -5.585 -2.046) 7.603 3.774 ( -4.736 5.585 -2.046) 7.603 3.913 ( -2.250 -5.319 4.199) 7.140 3.913 ( -2.250 5.319 4.199) 7.140 4.104 ( 3.435 -5.511 7.484) 9.909 4.104 ( 3.435 5.511 7.484) 9.909 4.279 ( -1.574 -3.505 -0.009) 3.842 4.279 ( -1.574 3.505 -0.009) 3.842 4.460 ( 10.607 -8.687 -3.637) 14.185 4.460 ( 10.607 8.687 -3.637) 14.185 4.617 ( 5.000 -5.748 9.340) 12.053 4.617 ( 5.000 5.748 9.340) 12.053 4.815 ( 7.952 -3.743 1.186) 8.868 4.815 ( 7.952 3.743 1.186) 8.868 4.956 ( 3.760 -0.669 1.728) 4.192 4.956 ( 3.760 0.669 1.728) 4.192 5.236 ( 5.956 -2.999 -4.863) 8.253 5.236 ( 5.956 2.999 -4.863) 8.253 5.381 ( 5.004 -4.471 -8.292) 10.667 5.381 ( 5.004 4.471 -8.292) 10.667 5.503 ( 0.419 -3.700 3.915) 5.403 5.503 ( 0.419 3.700 3.915) 5.403 5.818 ( 3.376 -5.920 -0.093) 6.816 5.818 ( 3.376 5.920 -0.093) 6.816 5.934 ( 5.466 -6.077 2.321) 8.497 5.934 ( 5.466 6.077 2.321) 8.497 6.068 ( 1.568 -0.799 -0.917) 1.985 6.068 ( 1.568 0.799 -0.917) 1.985 6.303 ( 9.638 -2.141 -1.630) 10.007 6.303 ( 9.638 2.141 -1.630) 10.007 6.363 ( 4.357 -4.202 9.678) 11.415 6.363 ( 4.357 4.202 9.678) 11.415 6.468 ( 6.133 -8.483 2.513) 10.765 6.468 ( 6.133 8.483 2.513) 10.765 6.775 ( 5.890 -4.608 0.279) 7.483 6.775 ( 5.890 4.608 0.279) 7.483 6.806 ( 2.848 -6.151 -1.651) 6.977 6.806 ( 2.848 6.151 -1.651) 6.977 7.027 ( 4.763 -3.118 -0.510) 5.716 7.027 ( 4.763 3.118 -0.510) 5.716 7.117 ( 4.496 -3.498 -3.355) 6.611 7.117 ( 4.496 3.498 -3.355) 6.611 7.202 ( 5.973 -1.574 -3.964) 7.339 7.202 ( 5.973 1.574 -3.964) 7.339 7.395 ( 4.863 -4.881 1.973) 7.167 7.395 ( 4.863 4.881 1.973) 7.167 7.653 ( 1.635 -5.894 -2.541) 6.623 7.653 ( 1.635 5.894 -2.541) 6.623 7.767 ( 4.211 -1.270 6.232) 7.628 7.767 ( 4.211 1.270 6.232) 7.628 7.873 ( 0.316 -3.826 -2.841) 4.775 7.873 ( 0.316 3.826 -2.841) 4.775 7.905 ( -0.395 -2.809 -0.735) 2.930 7.905 ( -0.395 2.809 -0.735) 2.930 8.050 ( 1.734 -2.869 2.515) 4.191 8.050 ( 1.734 2.869 2.515) 4.191 8.148 ( 4.616 -5.961 4.728) 8.900 8.148 ( 4.616 5.961 4.728) 8.900 8.276 ( 1.004 -5.173 0.953) 5.355 8.276 ( 1.004 5.173 0.953) 5.355 8.464 ( -0.672 -4.088 3.623) 5.503 8.464 ( -0.672 4.088 3.623) 5.503 8.628 ( 1.316 -0.831 0.757) 1.730 8.628 ( 1.316 0.831 0.757) 1.730 8.690 ( -1.220 -5.558 -5.209) 7.714 8.690 ( -1.220 5.558 -5.209) 7.714 8.827 ( -0.421 -7.681 -2.197) 8.000 8.827 ( -0.421 7.681 -2.197) 8.000 9.015 ( -0.422 -3.649 -1.069) 3.826 9.015 ( -0.422 3.649 -1.069) 3.826 9.079 ( -2.350 -1.165 1.919) 3.250 9.079 ( -2.350 1.165 1.919) 3.250 9.240 ( -2.665 -1.556 -1.961) 3.656 9.240 ( -2.665 1.556 -1.961) 3.656 9.427 ( -3.659 -2.992 -4.486) 6.516 9.427 ( -3.659 2.992 -4.486) 6.516 9.529 ( -2.214 -2.841 1.549) 3.921 9.529 ( -2.214 2.841 1.549) 3.921 9.680 ( -4.562 -5.909 3.260) 8.146 9.680 ( -4.562 5.909 3.260) 8.146 9.802 ( -3.724 -7.653 -0.481) 8.524 9.802 ( -3.724 7.653 -0.481) 8.524 10.032 ( -6.766 -4.697 -2.653) 8.653 10.032 ( -6.766 4.697 -2.653) 8.653 10.196 ( -4.615 -1.686 2.177) 5.374 10.196 ( -4.615 1.686 2.177) 5.374 10.530 ( -10.746 -6.992 2.649) 13.091 10.530 ( -10.746 6.992 2.649) 13.091 10.596 ( -6.530 -2.663 -2.972) 7.652 10.596 ( -6.530 2.663 -2.972) 7.652 11.021 ( -11.689 -5.086 -7.229) 14.654 11.021 ( -11.689 5.086 -7.229) 14.654 11.264 ( -5.098 -9.217 7.202) 12.760 11.264 ( -5.098 9.217 7.202) 12.760 11.495 ( -8.720 -15.508 -7.239) 19.208 11.495 ( -8.720 15.508 -7.239) 19.208 12.062 ( -2.119 -4.898 4.240) 6.816 12.062 ( -2.119 4.898 4.240) 6.816 12.402 ( 4.076 -2.605 -1.104) 4.962 12.402 ( 4.076 2.605 -1.104) 4.962 12.956 ( 4.279 -10.485 -1.715) 11.453 12.956 ( 4.279 10.485 -1.715) 11.453 13.979 ( -4.479 -2.843 0.040) 5.306 13.979 ( -4.479 2.843 0.040) 5.306 14.138 ( -5.368 -5.848 1.856) 8.152 14.138 ( -5.368 5.848 1.856) 8.152 14.560 ( -1.727 -4.517 0.406) 4.853 14.560 ( -1.727 4.517 0.406) 4.853 14.746 ( -1.036 -4.365 -4.286) 6.204 14.746 ( -1.036 4.365 -4.286) 6.204 16.133 ( 1.557 -1.927 2.726) 3.684 16.133 ( 1.557 1.927 2.726) 3.684 16.468 ( 6.949 -3.224 -5.537) 9.452 16.468 ( 6.949 3.224 -5.537) 9.452 16.937 ( 2.139 -0.837 -1.340) 2.659 16.937 ( 2.139 0.837 -1.340) 2.659 17.250 ( -1.966 -5.212 1.685) 5.820 17.250 ( -1.966 5.212 1.685) 5.820 17.422 ( 0.270 -2.322 1.170) 2.614 17.422 ( 0.270 2.322 1.170) 2.614 17.510 ( -1.556 -2.043 -1.073) 2.783 17.510 ( -1.556 2.043 -1.073) 2.783 17.623 ( 0.816 -2.841 3.415) 4.516 17.623 ( 0.816 2.841 3.415) 4.516 17.691 ( -3.152 -2.883 -0.545) 4.306 17.691 ( -3.152 2.883 -0.545) 4.306 17.801 ( -1.847 -1.026 1.807) 2.781 17.801 ( -1.847 1.026 1.807) 2.781 17.963 ( 0.991 -4.247 -4.465) 6.241 17.963 ( 0.991 4.247 -4.465) 6.241 18.258 ( -1.543 -5.922 -0.329) 6.128 18.258 ( -1.543 5.922 -0.329) 6.128 18.294 ( -1.534 -2.036 0.475) 2.593 18.294 ( -1.534 2.036 0.475) 2.593 18.597 ( -2.171 -4.929 3.012) 6.171 18.597 ( -2.171 4.929 3.012) 6.171 18.781 ( -1.739 -1.902 1.202) 2.844 18.781 ( -1.739 1.902 1.202) 2.844 20.515 ( 16.965 -0.323 -0.033) 16.968 20.515 ( 16.965 0.323 -0.033) 16.968 20.635 ( 20.641 -3.461 -5.421) 21.620 20.635 ( 20.641 3.461 -5.421) 21.620 20.681 ( 21.203 -3.418 5.106) 22.075 20.681 ( 21.203 3.418 5.106) 22.075 21.990 ( -6.699 -0.630 -1.403) 6.873 21.990 ( -6.699 0.630 -1.403) 6.873 22.015 ( -6.331 -1.339 -0.188) 6.474 22.015 ( -6.331 1.339 -0.188) 6.474 22.154 ( -2.763 -1.555 2.138) 3.824 22.154 ( -2.763 1.555 2.138) 3.824 26.962 ( -0.254 -0.493 0.831) 0.999 26.962 ( -0.254 0.493 0.831) 0.999 27.020 ( 0.249 -0.626 -0.475) 0.825 27.020 ( 0.249 0.626 -0.475) 0.825 27.518 ( -1.498 -0.638 2.370) 2.875 27.518 ( -1.498 0.638 2.370) 2.875 27.540 ( -1.793 -0.490 0.154) 1.865 27.540 ( -1.793 0.490 0.154) 1.865 27.680 ( 1.304 -0.089 -2.238) 2.592 27.680 ( 1.304 0.089 -2.238) 2.592 27.861 ( -2.326 -0.293 -0.348) 2.370 27.861 ( -2.326 0.293 -0.348) 2.370 36.619 ( 3.543 -0.284 -2.261) 4.213 36.619 ( 3.543 0.284 -2.261) 4.213 37.028 ( 1.659 -1.950 0.888) 2.709 37.028 ( 1.659 1.950 0.888) 2.709 37.243 ( 4.049 -0.786 -3.180) 5.208 37.243 ( 4.049 0.786 -3.180) 5.208 37.311 ( 5.166 -2.836 3.789) 7.006 37.311 ( 5.166 2.836 3.789) 7.006 37.640 ( 4.402 -1.518 -1.293) 4.832 37.640 ( 4.402 1.518 -1.293) 4.832 37.922 ( -2.862 -3.864 2.916) 5.624 37.922 ( -2.862 3.864 2.916) 5.624 38.048 ( 4.702 -2.867 0.688) 5.550 38.048 ( 4.702 2.867 0.688) 5.550 38.235 ( 0.136 -1.078 3.006) 3.196 38.235 ( 0.136 1.078 3.006) 3.196 38.457 ( -1.480 -2.112 -1.113) 2.809 38.457 ( -1.480 2.112 -1.113) 2.809 39.697 ( -26.565 -1.649 -5.191) 27.118 39.697 ( -26.565 1.649 -5.191) 27.118 39.829 ( -22.461 -0.995 0.984) 22.505 39.829 ( -22.461 0.995 0.984) 22.505 40.296 ( -25.186 -5.391 0.671) 25.765 40.296 ( -25.186 5.391 0.671) 25.765 ======================= Grid point 114 (64/84) ======================= q-point: ( 0.33 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 7.043 -4.302 -9.918) 12.903 1.868 ( 7.043 4.302 -9.918) 12.903 2.086 ( 5.489 -2.578 -8.908) 10.776 2.086 ( 5.489 2.578 -8.908) 10.776 2.368 ( 5.888 -0.681 2.282) 6.352 2.368 ( 5.888 0.681 2.282) 6.352 2.545 ( 6.360 -8.222 4.504) 11.329 2.545 ( 6.360 8.222 4.504) 11.329 2.625 ( -3.792 -2.990 -4.441) 6.560 2.625 ( -3.792 2.990 -4.441) 6.560 3.013 ( 2.238 -5.584 3.457) 6.938 3.013 ( 2.238 5.584 3.457) 6.938 3.160 ( -2.265 -7.144 -2.307) 7.841 3.160 ( -2.265 7.144 -2.307) 7.841 3.324 ( -9.369 -6.299 -5.752) 12.671 3.324 ( -9.369 6.299 -5.752) 12.671 3.503 ( -3.030 -1.650 0.675) 3.516 3.503 ( -3.030 1.650 0.675) 3.516 3.704 ( 2.340 -8.761 4.897) 10.306 3.704 ( 2.340 8.761 4.897) 10.306 3.972 ( 4.419 -4.234 0.355) 6.130 3.972 ( 4.419 4.234 0.355) 6.130 4.128 ( -3.151 -6.159 -0.329) 6.926 4.128 ( -3.151 6.159 -0.329) 6.926 4.353 ( 3.560 -9.848 7.695) 12.995 4.353 ( 3.560 9.848 7.695) 12.995 4.632 ( 7.727 -4.925 -1.717) 9.323 4.632 ( 7.727 4.925 -1.717) 9.323 4.756 ( 3.963 -5.263 2.403) 7.013 4.756 ( 3.963 5.263 2.403) 7.013 4.948 ( 3.223 -2.355 5.210) 6.563 4.948 ( 3.223 2.355 5.210) 6.563 5.093 ( 7.420 -2.913 1.173) 8.057 5.093 ( 7.420 2.913 1.173) 8.057 5.301 ( 5.653 -4.484 -4.772) 8.651 5.301 ( 5.653 4.484 -4.772) 8.651 5.426 ( 6.044 -2.197 -2.755) 6.996 5.426 ( 6.044 2.197 -2.755) 6.996 5.532 ( -1.051 -3.038 3.925) 5.074 5.532 ( -1.051 3.038 3.925) 5.074 5.881 ( 2.799 -5.466 -2.874) 6.780 5.881 ( 2.799 5.466 -2.874) 6.780 6.016 ( -0.790 -6.541 1.986) 6.881 6.016 ( -0.790 6.541 1.986) 6.881 6.113 ( 4.900 -2.728 0.136) 5.610 6.113 ( 4.900 2.728 0.136) 5.610 6.339 ( -0.833 -3.746 -3.860) 5.443 6.339 ( -0.833 3.746 -3.860) 5.443 6.509 ( 0.430 -7.326 9.428) 11.948 6.509 ( 0.430 7.326 9.428) 11.948 6.632 ( 7.173 -7.832 1.176) 10.685 6.632 ( 7.173 7.832 1.176) 10.685 6.779 ( -2.550 -4.503 2.249) 5.643 6.779 ( -2.550 4.503 2.249) 5.643 6.952 ( 10.036 -4.272 -0.331) 10.913 6.952 ( 10.036 4.272 -0.331) 10.913 7.141 ( 5.549 -4.232 -2.101) 7.288 7.141 ( 5.549 4.232 -2.101) 7.288 7.237 ( 10.330 -4.985 -7.638) 13.780 7.237 ( 10.330 4.985 -7.638) 13.780 7.343 ( 11.029 -3.745 4.954) 12.657 7.343 ( 11.029 3.745 4.954) 12.657 7.553 ( 9.090 -7.098 -0.841) 11.564 7.553 ( 9.090 7.098 -0.841) 11.564 7.659 ( 2.232 -4.350 -4.513) 6.654 7.659 ( 2.232 4.350 -4.513) 6.654 7.773 ( -3.972 -0.893 -0.055) 4.071 7.773 ( -3.972 0.893 -0.055) 4.071 7.854 ( 0.449 -0.802 0.669) 1.137 7.854 ( 0.449 0.802 0.669) 1.137 7.935 ( -0.749 -3.003 2.603) 4.044 7.935 ( -0.749 3.003 2.603) 4.044 8.121 ( 4.153 -2.889 1.666) 5.326 8.121 ( 4.153 2.889 1.666) 5.326 8.261 ( 2.891 -2.095 2.516) 4.367 8.261 ( 2.891 2.095 2.516) 4.367 8.372 ( 2.861 -1.553 1.572) 3.615 8.372 ( 2.861 1.553 1.572) 3.615 8.475 ( 1.993 -3.802 3.191) 5.349 8.475 ( 1.993 3.802 3.191) 5.349 8.572 ( -5.471 -2.619 -0.563) 6.092 8.572 ( -5.471 2.619 -0.563) 6.092 8.663 ( -1.458 -3.383 1.876) 4.134 8.663 ( -1.458 3.383 1.876) 4.134 8.854 ( 4.113 -4.832 1.840) 6.606 8.854 ( 4.113 4.832 1.840) 6.606 8.989 ( -1.103 -3.983 -1.872) 4.537 8.989 ( -1.103 3.983 -1.872) 4.537 9.046 ( -2.151 -2.480 0.644) 3.346 9.046 ( -2.151 2.480 0.644) 3.346 9.165 ( -2.862 -0.916 -1.313) 3.280 9.165 ( -2.862 0.916 -1.313) 3.280 9.325 ( -2.679 -2.529 -3.217) 4.891 9.325 ( -2.679 2.529 -3.217) 4.891 9.480 ( -5.254 -4.174 2.787) 7.266 9.480 ( -5.254 4.174 2.787) 7.266 9.614 ( -6.968 -5.258 0.157) 8.731 9.614 ( -6.968 5.258 0.157) 8.731 9.740 ( 0.587 -3.164 2.718) 4.213 9.740 ( 0.587 3.164 2.718) 4.213 9.865 ( -6.343 -3.121 -3.271) 7.789 9.865 ( -6.343 3.121 -3.271) 7.789 10.081 ( -7.530 -2.499 -0.940) 7.990 10.081 ( -7.530 2.499 -0.940) 7.990 10.311 ( -12.898 -2.096 -0.957) 13.102 10.311 ( -12.898 2.096 -0.957) 13.102 10.520 ( -1.138 -3.547 3.469) 5.091 10.520 ( -1.138 3.547 3.469) 5.091 10.735 ( -9.705 -1.018 -9.190) 13.405 10.735 ( -9.705 1.018 -9.190) 13.405 11.188 ( -6.276 -9.400 -1.942) 11.468 11.188 ( -6.276 9.400 -1.942) 11.468 11.334 ( -2.850 -9.217 0.363) 9.654 11.334 ( -2.850 9.217 0.363) 9.654 12.002 ( -4.958 -6.781 -2.678) 8.817 12.002 ( -4.958 6.781 -2.678) 8.817 12.511 ( 5.265 -1.776 4.071) 6.888 12.511 ( 5.265 1.776 4.071) 6.888 12.962 ( -0.668 -10.010 -1.605) 10.160 12.962 ( -0.668 10.010 -1.605) 10.160 13.954 ( 1.329 -1.680 0.370) 2.174 13.954 ( 1.329 1.680 0.370) 2.174 14.059 ( -5.492 -4.377 3.430) 7.816 14.059 ( -5.492 4.377 3.430) 7.816 14.534 ( -0.641 -4.337 -1.050) 4.508 14.534 ( -0.641 4.337 -1.050) 4.508 14.677 ( -1.579 -3.743 -5.366) 6.730 14.677 ( -1.579 3.743 -5.366) 6.730 16.196 ( 1.653 -0.797 4.576) 4.930 16.196 ( 1.653 0.797 4.576) 4.930 16.552 ( 5.430 -1.858 -3.937) 6.960 16.552 ( 5.430 1.858 -3.937) 6.960 16.971 ( 2.121 -1.818 -0.720) 2.885 16.971 ( 2.121 1.818 -0.720) 2.885 17.228 ( -0.357 -1.959 -1.637) 2.578 17.228 ( -0.357 1.959 -1.637) 2.578 17.424 ( -0.374 -1.783 -0.509) 1.891 17.424 ( -0.374 1.783 -0.509) 1.891 17.476 ( -0.842 -0.670 -0.891) 1.397 17.476 ( -0.842 0.670 -0.891) 1.397 17.629 ( -3.346 -3.995 0.911) 5.290 17.629 ( -3.346 3.995 0.911) 5.290 17.667 ( 1.004 -2.607 2.799) 3.955 17.667 ( 1.004 2.607 2.799) 3.955 17.802 ( -0.512 -0.523 4.513) 4.572 17.802 ( -0.512 0.523 4.513) 4.572 17.950 ( 1.085 -3.702 -3.488) 5.201 17.950 ( 1.085 3.702 -3.488) 5.201 18.216 ( -2.098 -5.969 -1.205) 6.441 18.216 ( -2.098 5.969 -1.205) 6.441 18.257 ( -1.535 -1.822 -1.868) 3.027 18.257 ( -1.535 1.822 -1.868) 3.027 18.588 ( -1.538 -4.996 3.318) 6.191 18.588 ( -1.538 4.996 3.318) 6.191 18.755 ( -1.369 -1.506 0.045) 2.036 18.755 ( -1.369 1.506 0.045) 2.036 20.869 ( 19.068 -0.859 0.086) 19.087 20.869 ( 19.068 0.859 0.086) 19.087 20.973 ( 19.509 -3.014 -6.464) 20.772 20.973 ( 19.509 3.014 -6.464) 20.772 21.157 ( 20.216 -6.170 8.918) 22.941 21.157 ( 20.216 6.170 8.918) 22.941 21.809 ( -10.654 -0.846 -1.683) 10.820 21.809 ( -10.654 0.846 -1.683) 10.820 21.854 ( -10.171 -2.280 -0.051) 10.423 21.854 ( -10.171 2.280 -0.051) 10.423 22.107 ( -4.249 -3.517 2.471) 6.044 22.107 ( -4.249 3.517 2.471) 6.044 26.962 ( -0.428 -0.203 0.834) 0.959 26.962 ( -0.428 0.203 0.834) 0.959 27.022 ( 0.455 -0.409 -0.874) 1.066 27.022 ( 0.455 0.409 -0.874) 1.066 27.506 ( -1.671 -0.773 1.931) 2.668 27.506 ( -1.671 0.773 1.931) 2.668 27.516 ( -0.743 -1.100 0.645) 1.475 27.516 ( -0.743 1.100 0.645) 1.475 27.690 ( 1.482 -0.215 -1.869) 2.395 27.690 ( 1.482 0.215 -1.869) 2.395 27.812 ( -2.129 -0.426 -0.804) 2.316 27.812 ( -2.129 0.426 -0.804) 2.316 36.677 ( 4.210 -0.321 -1.991) 4.668 36.677 ( 4.210 0.321 -1.991) 4.668 37.055 ( 0.189 -2.710 0.217) 2.725 37.055 ( 0.189 2.710 0.217) 2.725 37.281 ( 2.794 -2.103 -4.259) 5.511 37.281 ( 2.794 2.103 -4.259) 5.511 37.375 ( 0.579 -5.070 -4.112) 6.553 37.375 ( 0.579 5.070 -4.112) 6.553 37.756 ( 8.117 -1.809 1.601) 8.469 37.756 ( 8.117 1.809 1.601) 8.469 37.943 ( -0.137 -3.019 8.746) 9.253 37.943 ( -0.137 3.019 8.746) 9.253 38.121 ( 2.525 -4.966 -0.003) 5.571 38.121 ( 2.525 4.966 -0.003) 5.571 38.341 ( 8.540 -2.633 2.356) 9.242 38.341 ( 8.540 2.633 2.356) 9.242 38.445 ( -0.003 -3.853 1.813) 4.258 38.445 ( -0.003 3.853 1.813) 4.258 39.136 ( -22.301 -4.523 -10.365) 25.005 39.136 ( -22.301 4.523 -10.365) 25.005 39.378 ( -24.517 -3.032 3.028) 24.889 39.378 ( -24.517 3.032 3.028) 24.889 39.806 ( -24.242 -5.162 -2.372) 24.899 39.806 ( -24.242 5.162 -2.372) 24.899 ======================= Grid point 116 (65/84) ======================= q-point: ( 0.44 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.948 ( 6.360 -4.183 -5.817) 9.581 1.948 ( 6.360 4.183 -5.817) 9.581 2.121 ( 3.348 -2.952 -4.497) 6.336 2.121 ( 3.348 2.952 -4.497) 6.336 2.294 ( -8.774 -6.553 -6.054) 12.513 2.294 ( -8.774 6.553 -6.054) 12.513 2.562 ( 0.750 -2.719 -3.098) 4.190 2.562 ( 0.750 2.719 -3.098) 4.190 2.650 ( 2.271 -7.208 -1.251) 7.660 2.650 ( 2.271 7.208 -1.251) 7.660 2.979 ( -11.636 -5.267 2.113) 12.947 2.979 ( -11.636 5.267 2.113) 12.947 3.096 ( -0.067 -5.451 -0.702) 5.497 3.096 ( -0.067 5.451 -0.702) 5.497 3.203 ( 2.698 -5.830 -2.703) 6.970 3.203 ( 2.698 5.830 -2.703) 6.970 3.534 ( 4.819 -2.678 4.408) 7.059 3.534 ( 4.819 2.678 4.408) 7.059 3.831 ( 1.455 -7.087 7.641) 10.523 3.831 ( 1.455 7.087 7.641) 10.523 4.000 ( -0.410 -1.937 -1.425) 2.439 4.000 ( -0.410 1.937 -1.425) 2.439 4.158 ( 6.524 -1.986 -0.664) 6.852 4.158 ( 6.524 1.986 -0.664) 6.852 4.399 ( -2.436 -4.708 2.513) 5.866 4.399 ( -2.436 4.708 2.513) 5.866 4.643 ( -3.721 -0.996 -3.265) 5.049 4.643 ( -3.721 0.996 -3.265) 5.049 4.898 ( 7.560 -4.865 2.830) 9.425 4.898 ( 7.560 4.865 2.830) 9.425 5.022 ( -0.974 -1.372 5.204) 5.469 5.022 ( -0.974 1.372 5.204) 5.469 5.174 ( 3.177 -1.914 -2.498) 4.472 5.174 ( 3.177 1.914 -2.498) 4.472 5.386 ( 2.637 -4.104 -1.797) 5.199 5.386 ( 2.637 4.104 -1.797) 5.199 5.536 ( 2.437 -0.935 2.829) 3.849 5.536 ( 2.437 0.935 2.829) 3.849 5.586 ( 5.818 -3.988 4.245) 8.232 5.586 ( 5.818 3.988 4.245) 8.232 5.859 ( -1.955 -4.187 -3.584) 5.848 5.859 ( -1.955 4.187 -3.584) 5.848 5.966 ( -3.458 -4.726 0.035) 5.857 5.966 ( -3.458 4.726 0.035) 5.857 6.146 ( -3.381 -7.936 -2.174) 8.895 6.146 ( -3.381 7.936 -2.174) 8.895 6.348 ( 4.911 -2.549 2.854) 6.226 6.348 ( 4.911 2.549 2.854) 6.226 6.533 ( -2.867 -6.977 2.874) 8.072 6.533 ( -2.867 6.977 2.874) 8.072 6.701 ( -0.177 -8.027 0.933) 8.083 6.701 ( -0.177 8.027 0.933) 8.083 6.802 ( 2.503 -2.149 6.226) 7.046 6.802 ( 2.503 2.149 6.226) 7.046 7.128 ( 6.322 -2.094 -4.640) 8.117 7.128 ( 6.322 2.094 -4.640) 8.117 7.184 ( 0.536 -2.751 2.073) 3.486 7.184 ( 0.536 2.751 2.073) 3.486 7.369 ( 6.514 -4.286 -4.294) 8.902 7.369 ( 6.514 4.286 -4.294) 8.902 7.481 ( -3.747 -2.202 -4.258) 6.084 7.481 ( -3.747 2.202 -4.258) 6.084 7.603 ( 3.188 -6.187 -1.701) 7.165 7.603 ( 3.188 6.187 -1.701) 7.165 7.718 ( -0.418 -1.166 4.141) 4.322 7.718 ( -0.418 1.166 4.141) 4.322 7.804 ( -3.612 -3.171 1.572) 5.057 7.804 ( -3.612 3.171 1.572) 5.057 7.859 ( 10.644 -3.168 -2.476) 11.379 7.859 ( 10.644 3.168 -2.476) 11.379 7.949 ( 3.090 -0.460 -0.104) 3.126 7.949 ( 3.090 0.460 -0.104) 3.126 8.191 ( 0.883 -0.703 0.301) 1.168 8.191 ( 0.883 0.703 0.301) 1.168 8.282 ( -0.888 -0.428 -0.194) 1.004 8.282 ( -0.888 0.428 -0.194) 1.004 8.364 ( -0.671 -1.951 -2.306) 3.094 8.364 ( -0.671 1.951 -2.306) 3.094 8.517 ( 1.834 -1.797 4.422) 5.113 8.517 ( 1.834 1.797 4.422) 5.113 8.555 ( 1.270 -5.577 0.128) 5.721 8.555 ( 1.270 5.577 0.128) 5.721 8.684 ( -1.140 -2.067 6.431) 6.850 8.684 ( -1.140 2.067 6.431) 6.850 8.871 ( -8.720 -3.301 0.313) 9.329 8.871 ( -8.720 3.301 0.313) 9.329 8.944 ( 2.630 -4.442 0.970) 5.252 8.944 ( 2.630 4.442 0.970) 5.252 9.067 ( 1.649 -1.962 1.090) 2.785 9.067 ( 1.649 1.962 1.090) 2.785 9.137 ( 0.543 -3.257 -0.882) 3.418 9.137 ( 0.543 3.257 -0.882) 3.418 9.308 ( 1.020 -5.377 1.175) 5.598 9.308 ( 1.020 5.377 1.175) 5.598 9.391 ( -4.200 -4.828 -0.598) 6.427 9.391 ( -4.200 4.828 -0.598) 6.427 9.483 ( -1.713 -2.155 1.772) 3.274 9.483 ( -1.713 2.155 1.772) 3.274 9.755 ( -3.119 -4.158 -3.297) 6.155 9.755 ( -3.119 4.158 -3.297) 6.155 9.848 ( 3.459 -1.542 7.434) 8.343 9.848 ( 3.459 1.542 7.434) 8.343 9.973 ( 1.512 -1.862 -3.766) 4.465 9.973 ( 1.512 1.862 -3.766) 4.465 10.035 ( -12.270 -1.867 -3.825) 12.987 10.035 ( -12.270 1.867 -3.825) 12.987 10.515 ( -4.727 -4.429 -9.528) 11.522 10.515 ( -4.727 4.429 -9.528) 11.522 10.571 ( 0.944 -4.474 5.617) 7.243 10.571 ( 0.944 4.474 5.617) 7.243 11.053 ( -1.457 -7.881 -9.548) 12.466 11.053 ( -1.457 7.881 -9.548) 12.466 11.350 ( 0.290 -3.598 7.436) 8.265 11.350 ( 0.290 3.598 7.436) 8.265 11.844 ( -6.320 -4.162 -6.902) 10.242 11.844 ( -6.320 4.162 -6.902) 10.242 12.649 ( 3.912 -1.074 6.535) 7.692 12.649 ( 3.912 1.074 6.535) 7.692 12.941 ( -0.182 -7.244 -1.229) 7.350 12.941 ( -0.182 7.244 -1.229) 7.350 13.973 ( -4.621 -4.837 1.436) 6.842 13.973 ( -4.621 4.837 1.436) 6.842 14.014 ( 2.712 -5.646 1.859) 6.534 14.014 ( 2.712 5.646 1.859) 6.534 14.506 ( -1.447 -2.243 -1.714) 3.172 14.506 ( -1.447 2.243 -1.714) 3.172 14.621 ( 1.144 -1.600 -5.749) 6.076 14.621 ( 1.144 1.600 -5.749) 6.076 16.264 ( 0.525 -0.356 6.494) 6.525 16.264 ( 0.525 0.356 6.494) 6.525 16.601 ( 3.016 -0.576 -4.454) 5.409 16.601 ( 3.016 0.576 -4.454) 5.409 17.002 ( 1.473 -1.970 -0.361) 2.487 17.002 ( 1.473 1.970 -0.361) 2.487 17.207 ( 1.004 -0.947 -5.130) 5.313 17.207 ( 1.004 0.947 -5.130) 5.313 17.407 ( -1.063 -1.623 -0.027) 1.941 17.407 ( -1.063 1.623 -0.027) 1.941 17.467 ( 0.685 -0.989 -0.599) 1.344 17.467 ( 0.685 0.989 -0.599) 1.344 17.572 ( -3.963 -3.184 2.808) 5.808 17.572 ( -3.963 3.184 2.808) 5.808 17.715 ( 1.921 -3.172 1.614) 4.044 17.715 ( 1.921 3.172 1.614) 4.044 17.846 ( 0.368 -0.727 5.682) 5.740 17.846 ( 0.368 0.727 5.682) 5.740 17.950 ( 1.177 -3.253 -1.550) 3.791 17.950 ( 1.177 3.253 -1.550) 3.791 18.156 ( -2.613 -4.536 -2.097) 5.639 18.156 ( -2.613 4.536 -2.097) 5.639 18.213 ( -0.475 -1.053 -3.606) 3.787 18.213 ( -0.475 1.053 -3.606) 3.787 18.586 ( -1.655 -4.645 3.496) 6.044 18.586 ( -1.655 4.645 3.496) 6.044 18.732 ( -0.871 -1.305 -0.270) 1.591 18.732 ( -0.871 1.305 -0.270) 1.591 21.227 ( 16.920 -1.466 0.238) 16.985 21.227 ( 16.920 1.466 0.238) 16.985 21.275 ( 15.640 -1.847 -4.041) 16.259 21.275 ( 15.640 1.847 -4.041) 16.259 21.491 ( -2.601 -2.210 2.010) 3.961 21.491 ( -2.601 2.210 2.010) 3.961 21.572 ( -9.951 -1.090 -1.215) 10.084 21.572 ( -9.951 1.090 -1.215) 10.084 21.682 ( 0.146 -1.371 5.124) 5.306 21.682 ( 0.146 1.371 5.124) 5.306 22.026 ( -5.936 -6.612 1.760) 9.059 22.026 ( -5.936 6.612 1.760) 9.059 26.960 ( -0.538 -0.305 1.042) 1.212 26.960 ( -0.538 0.305 1.042) 1.212 27.023 ( 0.556 -0.004 -1.188) 1.312 27.023 ( 0.556 0.004 -1.188) 1.312 27.492 ( -1.205 -0.347 1.735) 2.141 27.492 ( -1.205 0.347 1.735) 2.141 27.515 ( -0.090 -0.866 0.884) 1.240 27.515 ( -0.090 0.866 0.884) 1.240 27.707 ( 1.546 -0.286 -1.172) 1.961 27.707 ( 1.546 0.286 -1.172) 1.961 27.769 ( -1.345 -0.504 -1.361) 1.979 27.769 ( -1.345 0.504 -1.361) 1.979 36.749 ( 4.295 -0.223 -0.321) 4.313 36.749 ( 4.295 0.223 -0.321) 4.313 37.026 ( -2.406 -2.151 -1.959) 3.775 37.026 ( -2.406 2.151 -1.959) 3.775 37.262 ( -2.010 -1.371 -5.478) 5.994 37.262 ( -2.010 1.371 -5.478) 5.994 37.310 ( -1.040 -2.950 -5.206) 6.074 37.310 ( -1.040 2.950 -5.206) 6.074 37.901 ( -0.740 -1.975 10.329) 10.542 37.901 ( -0.740 1.975 10.329) 10.542 38.030 ( 4.240 -4.363 1.551) 6.278 38.030 ( 4.240 4.363 1.551) 6.278 38.189 ( 3.577 -8.515 0.967) 9.286 38.189 ( 3.577 8.515 0.967) 9.286 38.460 ( 0.154 -7.555 -0.186) 7.559 38.460 ( 0.154 7.555 -0.186) 7.559 38.551 ( 6.577 -2.982 5.215) 8.908 38.551 ( 6.577 2.982 5.215) 8.908 38.807 ( -1.461 -3.264 -7.108) 7.957 38.807 ( -1.461 3.264 -7.108) 7.957 38.992 ( -13.328 -3.339 1.539) 13.826 38.992 ( -13.328 3.339 1.539) 13.826 39.351 ( -17.802 -3.882 -5.904) 19.153 39.351 ( -17.802 3.882 -5.904) 19.153 ======================= Grid point 118 (66/84) ======================= q-point: (-0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( -14.560 -1.214 -1.292) 14.667 1.910 ( -14.560 1.214 -1.292) 14.667 1.989 ( -0.799 -4.482 -4.821) 6.631 1.989 ( -0.799 4.482 -4.821) 6.631 2.295 ( 1.168 -4.609 3.451) 5.875 2.295 ( 1.168 4.609 3.451) 5.875 2.459 ( -0.019 -2.118 -7.990) 8.266 2.459 ( -0.019 2.118 -7.990) 8.266 2.689 ( 2.852 -4.322 -2.679) 5.830 2.689 ( 2.852 4.322 -2.679) 5.830 2.877 ( -1.777 -3.834 7.511) 8.618 2.877 ( -1.777 3.834 7.511) 8.618 3.041 ( -4.128 -2.740 -0.769) 5.014 3.041 ( -4.128 2.740 -0.769) 5.014 3.285 ( 7.375 -6.253 -4.730) 10.764 3.285 ( 7.375 6.253 -4.730) 10.764 3.656 ( -0.855 -4.025 4.674) 6.227 3.656 ( -0.855 4.025 4.674) 6.227 3.888 ( 3.059 -6.262 3.141) 7.644 3.888 ( 3.059 6.262 3.141) 7.644 3.945 ( -5.494 -1.483 -1.745) 5.952 3.945 ( -5.494 1.483 -1.745) 5.952 4.240 ( 2.000 -3.954 -3.076) 5.394 4.240 ( 2.000 3.954 -3.076) 5.394 4.410 ( -1.218 -2.529 3.841) 4.757 4.410 ( -1.218 2.529 3.841) 4.757 4.520 ( -0.462 -5.048 -2.905) 5.843 4.520 ( -0.462 5.048 -2.905) 5.843 4.947 ( -5.239 -3.083 2.445) 6.552 4.947 ( -5.239 3.083 2.445) 6.552 5.068 ( 1.691 -1.637 3.018) 3.828 5.068 ( 1.691 1.637 3.018) 3.828 5.188 ( -1.658 -2.766 -0.116) 3.226 5.188 ( -1.658 2.766 -0.116) 3.226 5.348 ( -3.003 -1.811 -3.279) 4.801 5.348 ( -3.003 1.811 -3.279) 4.801 5.579 ( -1.563 -1.558 1.040) 2.440 5.579 ( -1.563 1.558 1.040) 2.440 5.646 ( -4.278 -3.725 -2.584) 6.233 5.646 ( -4.278 3.725 -2.584) 6.233 5.800 ( -0.114 -4.433 5.886) 7.369 5.800 ( -0.114 4.433 5.886) 7.369 5.958 ( 2.018 -6.610 -4.714) 8.366 5.958 ( 2.018 6.610 -4.714) 8.366 6.078 ( -1.438 -6.636 6.639) 9.496 6.078 ( -1.438 6.636 6.639) 9.496 6.439 ( 1.622 -1.841 -6.649) 7.087 6.439 ( 1.622 1.841 -6.649) 7.087 6.504 ( -2.589 -1.933 11.049) 11.512 6.504 ( -2.589 1.933 11.049) 11.512 6.734 ( 2.326 -0.796 0.646) 2.542 6.734 ( 2.326 0.796 0.646) 2.542 6.888 ( 1.599 -3.295 1.841) 4.099 6.888 ( 1.599 3.295 1.841) 4.099 7.056 ( -8.221 -2.295 -1.427) 8.654 7.056 ( -8.221 2.295 -1.427) 8.654 7.210 ( -1.591 -3.877 -0.065) 4.191 7.210 ( -1.591 3.877 -0.065) 4.191 7.277 ( -9.812 -2.023 -0.118) 10.020 7.277 ( -9.812 2.023 -0.118) 10.020 7.407 ( -0.950 -5.829 -6.768) 8.983 7.407 ( -0.950 5.829 -6.768) 8.983 7.584 ( -2.276 -1.078 3.051) 3.956 7.584 ( -2.276 1.078 3.051) 3.956 7.673 ( -9.297 -2.066 0.562) 9.541 7.673 ( -9.297 2.066 0.562) 9.541 7.734 ( -3.884 -4.778 2.814) 6.770 7.734 ( -3.884 4.778 2.814) 6.770 7.966 ( 4.974 -2.813 -2.751) 6.342 7.966 ( 4.974 2.813 -2.751) 6.342 8.058 ( 2.841 -0.641 -1.913) 3.484 8.058 ( 2.841 0.641 -1.913) 3.484 8.193 ( 2.817 -2.296 -1.179) 3.821 8.193 ( 2.817 2.296 -1.179) 3.821 8.257 ( -1.804 -3.319 1.777) 4.175 8.257 ( -1.804 3.319 1.777) 4.175 8.397 ( 0.083 -4.128 -2.115) 4.639 8.397 ( 0.083 4.128 -2.115) 4.639 8.531 ( -2.599 -1.797 -0.305) 3.174 8.531 ( -2.599 1.797 -0.305) 3.174 8.596 ( 2.000 -2.594 0.352) 3.294 8.596 ( 2.000 2.594 0.352) 3.294 8.707 ( 2.198 -0.630 3.448) 4.137 8.707 ( 2.198 0.630 3.448) 4.137 8.763 ( -2.355 -5.634 4.810) 7.773 8.763 ( -2.355 5.634 4.810) 7.773 8.966 ( -1.124 -2.278 -2.086) 3.287 8.966 ( -1.124 2.278 -2.086) 3.287 9.109 ( 2.973 -3.782 3.896) 6.191 9.109 ( 2.973 3.782 3.896) 6.191 9.161 ( 3.061 -2.515 -1.010) 4.088 9.161 ( 3.061 2.515 -1.010) 4.088 9.327 ( 0.135 -4.177 -0.670) 4.233 9.327 ( 0.135 4.177 -0.670) 4.233 9.374 ( 3.839 -5.593 0.023) 6.784 9.374 ( 3.839 5.593 0.023) 6.784 9.584 ( 4.626 -2.019 4.642) 6.857 9.584 ( 4.626 2.019 4.642) 6.857 9.675 ( -2.658 -2.810 -3.356) 5.121 9.675 ( -2.658 2.810 -3.356) 5.121 9.821 ( -0.900 -2.302 -2.778) 3.719 9.821 ( -0.900 2.302 -2.778) 3.719 9.979 ( 2.274 -2.879 3.950) 5.391 9.979 ( 2.274 2.879 3.950) 5.391 10.108 ( 12.383 -2.067 -1.617) 12.658 10.108 ( 12.383 2.067 -1.617) 12.658 10.399 ( 2.268 -3.210 -10.326) 11.049 10.399 ( 2.268 3.210 -10.326) 11.049 10.627 ( -0.344 -6.626 6.643) 9.389 10.627 ( -0.344 6.626 6.643) 9.389 10.984 ( 2.624 -7.648 -10.251) 13.056 10.984 ( 2.624 7.648 -10.251) 13.056 11.466 ( 4.347 -3.898 8.361) 10.198 11.466 ( 4.347 3.898 8.361) 10.198 11.691 ( -2.424 -0.870 -6.174) 6.689 11.691 ( -2.424 0.870 -6.174) 6.689 12.738 ( -1.078 -2.332 5.922) 6.456 12.738 ( -1.078 2.332 5.922) 6.456 12.927 ( 0.463 -4.379 -3.227) 5.459 12.927 ( 0.463 4.379 -3.227) 5.459 13.904 ( -3.307 -2.789 2.303) 4.900 13.904 ( -3.307 2.789 2.303) 4.900 14.094 ( 4.169 -6.945 0.753) 8.135 14.094 ( 4.169 6.945 0.753) 8.135 14.464 ( -1.392 -2.865 -0.223) 3.193 14.464 ( -1.392 2.865 -0.223) 3.193 14.621 ( 3.439 -2.600 -6.353) 7.678 14.621 ( 3.439 2.600 -6.353) 7.678 16.318 ( -1.118 -0.872 7.928) 8.054 16.318 ( -1.118 0.872 7.928) 8.054 16.593 ( 0.844 -0.409 -6.550) 6.617 16.593 ( 0.844 0.409 -6.550) 6.617 17.019 ( 0.486 -1.970 -0.241) 2.043 17.019 ( 0.486 1.970 -0.241) 2.043 17.179 ( 1.257 -0.902 -7.080) 7.247 17.179 ( 1.257 0.902 -7.080) 7.247 17.384 ( -1.177 -2.116 -0.399) 2.454 17.384 ( -1.177 2.116 -0.399) 2.454 17.484 ( 0.540 -0.347 0.100) 0.649 17.484 ( 0.540 0.347 0.100) 0.649 17.540 ( -2.061 -2.351 5.630) 6.440 17.540 ( -2.061 2.351 5.630) 6.440 17.758 ( 1.870 -2.681 -0.484) 3.304 17.758 ( 1.870 2.681 -0.484) 3.304 17.897 ( 0.612 -2.662 3.312) 4.293 17.897 ( 0.612 2.662 3.312) 4.293 17.974 ( 0.963 -1.141 2.408) 2.833 17.974 ( 0.963 1.141 2.408) 2.833 18.091 ( -2.019 -2.365 -1.974) 3.683 18.091 ( -2.019 2.365 -1.974) 3.683 18.184 ( 0.848 -0.989 -4.294) 4.487 18.184 ( 0.848 0.989 -4.294) 4.487 18.581 ( -1.918 -4.066 3.792) 5.881 18.581 ( -1.918 4.066 3.792) 5.881 18.718 ( -0.480 -1.686 0.072) 1.754 18.718 ( -0.480 1.686 0.072) 1.754 21.204 ( -17.507 -0.443 -0.416) 17.517 21.204 ( -17.507 0.443 -0.416) 17.517 21.236 ( -16.755 -2.188 -0.029) 16.897 21.236 ( -16.755 2.188 -0.029) 16.897 21.523 ( 10.059 -2.849 0.767) 10.483 21.523 ( 10.059 2.849 0.767) 10.483 21.583 ( 13.142 -0.494 -3.682) 13.657 21.583 ( 13.142 0.494 -3.682) 13.657 21.867 ( 0.503 -2.998 1.241) 3.283 21.867 ( 0.503 2.998 1.241) 3.283 21.943 ( 2.382 -2.233 3.478) 4.771 21.943 ( 2.382 2.233 3.478) 4.771 26.958 ( -0.678 -0.370 1.161) 1.395 26.958 ( -0.678 0.370 1.161) 1.395 27.023 ( 0.498 -0.314 -1.225) 1.359 27.023 ( 0.498 0.314 -1.225) 1.359 27.488 ( -0.818 -0.459 1.943) 2.157 27.488 ( -0.818 0.459 1.943) 2.157 27.524 ( 0.317 -0.731 0.526) 0.955 27.524 ( 0.317 0.731 0.526) 0.955 27.716 ( -0.289 -0.328 -1.134) 1.215 27.716 ( -0.289 0.328 -1.134) 1.215 27.753 ( 1.492 -0.291 -1.194) 1.933 27.753 ( 1.492 0.291 -1.194) 1.933 36.832 ( 2.557 -0.884 2.581) 3.740 36.832 ( 2.557 0.884 2.581) 3.740 36.935 ( -3.299 -1.124 -5.275) 6.322 36.935 ( -3.299 1.124 -5.275) 6.322 37.154 ( -2.966 -1.255 -3.389) 4.675 37.154 ( -2.966 1.255 -3.389) 4.675 37.255 ( -3.190 -0.867 -0.677) 3.374 37.255 ( -3.190 0.867 -0.677) 3.374 37.852 ( -9.617 -7.590 7.201) 14.211 37.852 ( -9.617 7.590 7.201) 14.211 38.138 ( 0.917 -5.761 2.407) 6.311 38.138 ( 0.917 5.761 2.407) 6.311 38.259 ( 4.885 -11.218 0.119) 12.236 38.259 ( 4.885 11.218 0.119) 12.236 38.401 ( -6.381 -4.813 1.307) 8.099 38.401 ( -6.381 4.813 1.307) 8.099 38.554 ( -2.594 -3.859 1.293) 4.826 38.554 ( -2.594 3.859 1.293) 4.826 38.775 ( -4.738 -3.351 -1.645) 6.031 38.775 ( -4.738 3.351 -1.645) 6.031 39.101 ( 16.968 -4.142 -1.960) 17.576 39.101 ( 16.968 4.142 -1.960) 17.576 39.220 ( 15.795 -3.652 -3.865) 16.666 39.220 ( 15.795 3.652 -3.865) 16.666 ======================= Grid point 120 (67/84) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.606 ( -16.418 -3.515 1.531) 16.860 1.606 ( -16.418 3.515 1.531) 16.860 1.834 ( -12.987 -11.033 3.036) 17.309 1.834 ( -12.987 11.033 3.036) 17.309 2.326 ( 1.245 -5.313 4.212) 6.893 2.326 ( 1.245 5.313 4.212) 6.893 2.496 ( 4.399 -1.189 -1.393) 4.765 2.496 ( 4.399 1.189 -1.393) 4.765 2.735 ( 5.536 -2.806 -4.628) 7.742 2.735 ( 5.536 2.806 -4.628) 7.742 2.945 ( -4.580 -6.088 0.057) 7.619 2.945 ( -4.580 6.088 0.057) 7.619 3.017 ( 7.635 -2.018 5.773) 9.783 3.017 ( 7.635 2.018 5.773) 9.783 3.355 ( 2.570 -6.873 -5.560) 9.207 3.355 ( 2.570 6.873 -5.560) 9.207 3.545 ( -8.505 -9.976 -1.206) 13.164 3.545 ( -8.505 9.976 -1.206) 13.164 3.784 ( -8.703 -3.896 2.416) 9.836 3.784 ( -8.703 3.896 2.416) 9.836 3.994 ( 3.480 -4.567 1.461) 5.925 3.994 ( 3.480 4.567 1.461) 5.925 4.218 ( -3.066 -5.915 -0.768) 6.707 4.218 ( -3.066 5.915 -0.768) 6.707 4.364 ( 1.330 -5.567 -1.734) 5.981 4.364 ( 1.330 5.567 -1.734) 5.981 4.617 ( 2.858 -2.175 3.984) 5.364 4.617 ( 2.858 2.175 3.984) 5.364 4.803 ( -9.089 -2.581 -4.231) 10.352 4.803 ( -9.089 2.581 -4.231) 10.352 5.014 ( -9.173 -3.515 1.807) 9.988 5.014 ( -9.173 3.515 1.807) 9.988 5.100 ( -5.410 -3.427 -1.011) 6.483 5.100 ( -5.410 3.427 -1.011) 6.483 5.277 ( -3.813 -3.227 2.154) 5.440 5.277 ( -3.813 3.227 2.154) 5.440 5.465 ( -5.144 -2.834 -4.731) 7.542 5.465 ( -5.144 2.834 -4.731) 7.542 5.589 ( 0.056 -4.170 0.192) 4.175 5.589 ( 0.056 4.170 0.192) 4.175 5.789 ( -5.541 -4.146 1.741) 7.136 5.789 ( -5.541 4.146 1.741) 7.136 5.989 ( 2.611 -6.393 0.426) 6.919 5.989 ( 2.611 6.393 0.426) 6.919 6.159 ( 1.174 -6.082 6.669) 9.102 6.159 ( 1.174 6.082 6.669) 9.102 6.352 ( -4.374 -6.615 -6.253) 10.099 6.352 ( -4.374 6.615 -6.253) 10.099 6.552 ( -3.123 -1.395 9.235) 9.849 6.552 ( -3.123 1.395 9.235) 9.849 6.718 ( -4.978 -6.163 -1.637) 8.090 6.718 ( -4.978 6.163 -1.637) 8.090 6.880 ( -6.309 -9.907 0.187) 11.747 6.880 ( -6.309 9.907 0.187) 11.747 6.893 ( -1.719 -7.072 0.019) 7.278 6.893 ( -1.719 7.072 0.019) 7.278 7.016 ( -11.101 -5.341 -2.390) 12.549 7.016 ( -11.101 5.341 -2.390) 12.549 7.219 ( -1.403 -5.396 0.047) 5.576 7.219 ( -1.403 5.396 0.047) 5.576 7.270 ( -8.060 -2.739 -2.954) 9.010 7.270 ( -8.060 2.739 -2.954) 9.010 7.501 ( -5.081 -2.672 1.375) 5.903 7.501 ( -5.081 2.672 1.375) 5.903 7.604 ( -1.458 -1.718 5.296) 5.755 7.604 ( -1.458 1.718 5.296) 5.755 7.694 ( -2.867 -2.714 4.037) 5.646 7.694 ( -2.867 2.714 4.037) 5.646 7.937 ( -5.048 -1.677 -0.586) 5.352 7.937 ( -5.048 1.677 -0.586) 5.352 8.020 ( -5.783 -4.446 -1.699) 7.489 8.020 ( -5.783 4.446 -1.699) 7.489 8.206 ( 0.268 -4.411 -5.722) 7.230 8.206 ( 0.268 4.411 -5.722) 7.230 8.284 ( -1.910 -5.971 2.962) 6.933 8.284 ( -1.910 5.971 2.962) 6.933 8.352 ( 5.442 -4.789 -0.149) 7.250 8.352 ( 5.442 4.789 -0.149) 7.250 8.453 ( -4.357 -2.497 -0.747) 5.078 8.453 ( -4.357 2.497 -0.747) 5.078 8.604 ( -1.512 -1.283 -2.760) 3.399 8.604 ( -1.512 1.283 -2.760) 3.399 8.774 ( 2.013 -2.669 3.069) 4.538 8.774 ( 2.013 2.669 3.069) 4.538 8.878 ( 6.617 -4.531 -1.672) 8.192 8.878 ( 6.617 4.531 -1.672) 8.192 8.927 ( 0.500 -1.085 1.646) 2.034 8.927 ( 0.500 1.085 1.646) 2.034 9.176 ( 0.607 -4.339 -0.022) 4.381 9.176 ( 0.607 4.339 -0.022) 4.381 9.231 ( 3.983 -1.437 -2.724) 5.035 9.231 ( 3.983 1.437 -2.724) 5.035 9.340 ( 1.258 -3.052 1.678) 3.703 9.340 ( 1.258 3.052 1.678) 3.703 9.459 ( 5.191 -1.270 -1.107) 5.457 9.459 ( 5.191 1.270 -1.107) 5.457 9.589 ( 0.451 -2.577 0.793) 2.734 9.589 ( 0.451 2.577 0.793) 2.734 9.759 ( 9.086 -2.862 -1.639) 9.666 9.759 ( 9.086 2.862 -1.639) 9.666 9.877 ( 1.523 -4.535 -0.779) 4.847 9.877 ( 1.523 4.535 -0.779) 4.847 10.068 ( 9.784 -4.773 1.273) 10.961 10.068 ( 9.784 4.773 1.273) 10.961 10.296 ( 3.423 -3.037 -1.103) 4.707 10.296 ( 3.423 3.037 -1.103) 4.707 10.464 ( 12.495 -5.807 -3.963) 14.337 10.464 ( 12.495 5.807 -3.963) 14.337 10.728 ( 6.223 -5.115 6.641) 10.440 10.728 ( 6.223 5.115 6.641) 10.440 10.983 ( 4.897 -7.993 -7.358) 11.917 10.983 ( 4.897 7.993 -7.358) 11.917 11.524 ( -0.243 -2.134 -3.570) 4.166 11.524 ( -0.243 2.134 -3.570) 4.166 11.769 ( 8.753 -8.573 6.805) 14.015 11.769 ( 8.753 8.573 6.805) 14.015 12.684 ( -6.177 -4.895 -1.219) 7.975 12.684 ( -6.177 4.895 -1.219) 7.975 12.899 ( -2.242 -5.508 -0.133) 5.948 12.899 ( -2.242 5.508 -0.133) 5.948 13.905 ( 2.150 -3.425 1.192) 4.216 13.905 ( 2.150 3.425 1.192) 4.216 14.187 ( 5.087 -7.326 0.370) 8.927 14.187 ( 5.087 7.326 0.370) 8.927 14.460 ( -0.031 -2.125 2.192) 3.052 14.460 ( -0.031 2.125 2.192) 3.052 14.642 ( 4.189 -1.957 -6.244) 7.770 14.642 ( 4.189 1.957 -6.244) 7.770 16.347 ( -2.771 -0.968 7.904) 8.431 16.347 ( -2.771 0.968 7.904) 8.431 16.533 ( -0.158 -0.404 -8.933) 8.944 16.533 ( -0.158 0.404 -8.933) 8.944 17.017 ( -0.331 -2.386 -0.504) 2.461 17.017 ( -0.331 2.386 -0.504) 2.461 17.141 ( 0.869 -1.087 -6.985) 7.123 17.141 ( 0.869 1.087 -6.985) 7.123 17.358 ( -1.146 -1.242 -0.159) 1.697 17.358 ( -1.146 1.242 -0.159) 1.697 17.488 ( -1.180 -0.605 3.892) 4.112 17.488 ( -1.180 0.605 3.892) 4.112 17.581 ( 1.261 -0.706 3.914) 4.172 17.581 ( 1.261 0.706 3.914) 4.172 17.772 ( 0.404 -3.080 -1.650) 3.517 17.772 ( 0.404 3.080 -1.650) 3.517 17.912 ( 1.189 -4.660 -3.242) 5.800 17.912 ( 1.189 4.660 -3.242) 5.800 18.025 ( 0.636 -2.481 4.449) 5.134 18.025 ( 0.636 2.481 4.449) 5.134 18.061 ( -0.234 -1.228 1.203) 1.735 18.061 ( -0.234 1.228 1.203) 1.735 18.181 ( 1.960 -1.540 -2.471) 3.510 18.181 ( 1.960 1.540 -2.471) 3.510 18.578 ( -1.694 -3.687 4.307) 5.917 18.578 ( -1.694 3.687 4.307) 5.917 18.716 ( -0.090 -2.568 0.787) 2.688 18.716 ( -0.090 2.568 0.787) 2.688 20.846 ( -18.941 -0.779 0.402) 18.961 20.846 ( -18.941 0.779 0.402) 18.961 20.877 ( -19.212 -2.608 -0.048) 19.388 20.877 ( -19.212 2.608 -0.048) 19.388 21.483 ( -13.748 -14.940 -4.155) 20.724 21.483 ( -13.748 14.940 -4.155) 20.724 21.800 ( 10.786 -0.294 -1.510) 10.895 21.800 ( 10.786 0.294 -1.510) 10.895 21.890 ( 7.283 -1.746 -1.609) 7.661 21.890 ( 7.283 1.746 -1.609) 7.661 22.086 ( 4.774 -3.231 3.215) 6.600 22.086 ( 4.774 3.231 3.215) 6.600 26.953 ( -0.798 -0.341 1.113) 1.411 26.953 ( -0.798 0.341 1.113) 1.411 27.023 ( 0.394 -0.276 -0.919) 1.037 27.023 ( 0.394 0.276 -0.919) 1.037 27.491 ( -0.554 -1.001 1.995) 2.300 27.491 ( -0.554 1.001 1.995) 2.300 27.537 ( 0.688 -0.520 0.346) 0.929 27.537 ( 0.688 0.520 0.346) 0.929 27.694 ( -0.277 -0.635 -1.897) 2.020 27.694 ( -0.277 0.635 -1.897) 2.020 27.790 ( 2.475 -0.042 -0.257) 2.489 27.790 ( 2.475 0.042 -0.257) 2.489 36.767 ( -4.809 -1.912 -5.449) 7.514 36.767 ( -4.809 1.912 -5.449) 7.514 36.949 ( 2.391 -1.866 4.405) 5.348 36.949 ( 2.391 1.866 4.405) 5.348 37.115 ( -1.285 -2.522 2.163) 3.562 37.115 ( -1.285 2.522 2.163) 3.562 37.178 ( -4.702 -0.515 2.145) 5.194 37.178 ( -4.702 0.515 2.145) 5.194 37.711 ( -10.270 -3.160 5.306) 11.984 37.711 ( -10.270 3.160 5.306) 11.984 38.002 ( -10.377 -5.131 2.432) 11.829 38.002 ( -10.377 5.131 2.432) 11.829 38.265 ( -6.532 -2.450 -3.612) 7.856 38.265 ( -6.532 2.450 -3.612) 7.856 38.430 ( 6.559 -12.161 2.809) 14.100 38.430 ( 6.559 12.161 2.809) 14.100 38.565 ( 0.311 -5.450 -3.094) 6.275 38.565 ( 0.311 5.450 -3.094) 6.275 38.811 ( 17.530 -17.400 0.150) 24.700 38.811 ( 17.530 17.400 0.150) 24.700 39.454 ( 20.291 -3.058 -1.764) 20.596 39.454 ( 20.291 3.058 -1.764) 20.596 39.679 ( 26.898 -2.471 1.912) 27.078 39.679 ( 26.898 2.471 1.912) 27.078 ======================= Grid point 122 (68/84) ======================= q-point: (-0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.306 ( -16.002 -14.302 4.797) 21.991 1.306 ( -16.002 14.302 4.797) 21.991 1.639 ( -12.698 -14.743 10.588) 22.152 1.639 ( -12.698 14.743 10.588) 22.152 2.321 ( -2.697 -3.044 1.129) 4.221 2.321 ( -2.697 3.044 1.129) 4.221 2.630 ( 6.645 -4.642 -1.833) 8.310 2.630 ( 6.645 4.642 -1.833) 8.310 2.737 ( -4.226 -5.476 -6.624) 9.577 2.737 ( -4.226 5.476 -6.624) 9.577 2.902 ( 1.351 -6.159 7.064) 9.469 2.902 ( 1.351 6.159 7.064) 9.469 3.129 ( -1.060 -5.487 -1.291) 5.736 3.129 ( -1.060 5.487 -1.291) 5.736 3.317 ( 2.738 -7.588 1.230) 8.160 3.317 ( 2.738 7.588 1.230) 8.160 3.486 ( -0.382 -3.518 -0.261) 3.549 3.486 ( -0.382 3.518 -0.261) 3.549 3.688 ( -2.217 -7.325 2.674) 8.107 3.688 ( -2.217 7.325 2.674) 8.107 4.046 ( 2.350 -4.795 -0.373) 5.353 4.046 ( 2.350 4.795 -0.373) 5.353 4.135 ( -5.333 -4.546 1.713) 7.214 4.135 ( -5.333 4.546 1.713) 7.214 4.383 ( -2.906 -5.496 0.503) 6.237 4.383 ( -2.906 5.496 0.503) 6.237 4.527 ( -6.932 -1.451 -4.514) 8.398 4.527 ( -6.932 1.451 -4.514) 8.398 4.624 ( -9.989 -1.621 -1.101) 10.180 4.624 ( -9.989 1.621 -1.101) 10.180 4.839 ( -5.415 -5.098 -0.898) 7.492 4.839 ( -5.415 5.098 -0.898) 7.492 5.038 ( -2.353 -2.715 3.883) 5.290 5.038 ( -2.353 2.715 3.883) 5.290 5.190 ( -6.458 -3.678 1.063) 7.508 5.190 ( -6.458 3.678 1.063) 7.508 5.337 ( -3.877 -3.815 -6.679) 8.613 5.337 ( -3.877 3.815 -6.679) 8.613 5.600 ( -2.515 -4.355 2.696) 5.706 5.600 ( -2.515 4.355 2.696) 5.706 5.701 ( -2.553 -5.535 -0.057) 6.095 5.701 ( -2.553 5.535 -0.057) 6.095 5.989 ( -2.085 -2.456 0.407) 3.247 5.989 ( -2.085 2.456 0.407) 3.247 6.147 ( -8.614 -5.888 0.980) 10.479 6.147 ( -8.614 5.888 0.980) 10.479 6.232 ( -0.337 -2.251 -3.538) 4.206 6.232 ( -0.337 2.251 -3.538) 4.206 6.437 ( -12.720 -1.074 3.691) 13.288 6.437 ( -12.720 1.074 3.691) 13.288 6.621 ( -10.363 -4.455 0.946) 11.320 6.621 ( -10.363 4.455 0.946) 11.320 6.715 ( -2.508 -9.786 1.122) 10.165 6.715 ( -2.508 9.786 1.122) 10.165 6.847 ( -3.917 -8.955 -3.169) 10.275 6.847 ( -3.917 8.955 -3.169) 10.275 6.939 ( 2.943 -11.377 -1.235) 11.817 6.939 ( 2.943 11.377 -1.235) 11.817 7.061 ( -6.492 -3.183 -0.494) 7.247 7.061 ( -6.492 3.183 -0.494) 7.247 7.255 ( -0.547 -6.662 2.410) 7.106 7.255 ( -0.547 6.662 2.410) 7.106 7.418 ( -3.402 -3.915 -2.887) 5.936 7.418 ( -3.402 3.915 -2.887) 5.936 7.629 ( -0.478 -0.225 3.887) 3.923 7.629 ( -0.478 0.225 3.887) 3.923 7.666 ( -2.895 -8.299 3.440) 9.439 7.666 ( -2.895 8.299 3.440) 9.439 7.810 ( -8.373 -4.080 -0.296) 9.319 7.810 ( -8.373 4.080 -0.296) 9.319 7.906 ( -2.639 -3.416 1.927) 4.727 7.906 ( -2.639 3.416 1.927) 4.727 8.141 ( -3.031 -5.555 -1.768) 6.571 8.141 ( -3.031 5.555 -1.768) 6.571 8.295 ( -1.188 -1.273 -2.775) 3.276 8.295 ( -1.188 1.273 -2.775) 3.276 8.360 ( -2.733 -5.777 2.719) 6.945 8.360 ( -2.733 5.777 2.719) 6.945 8.456 ( 3.189 -5.375 -5.382) 8.248 8.456 ( 3.189 5.375 -5.382) 8.248 8.532 ( -2.067 -4.729 1.934) 5.511 8.532 ( -2.067 4.729 1.934) 5.511 8.845 ( 1.376 -3.044 -0.514) 3.380 8.845 ( 1.376 3.044 -0.514) 3.380 8.896 ( 1.392 -3.798 0.592) 4.088 8.896 ( 1.392 3.798 0.592) 4.088 8.982 ( 1.815 -1.455 -3.070) 3.852 8.982 ( 1.815 1.455 -3.070) 3.852 9.166 ( 1.938 -5.831 -4.679) 7.723 9.166 ( 1.938 5.831 -4.679) 7.723 9.252 ( 1.875 -2.611 -4.689) 5.685 9.252 ( 1.875 2.611 -4.689) 5.685 9.410 ( 4.309 -1.247 -0.008) 4.486 9.410 ( 4.309 1.247 -0.008) 4.486 9.541 ( 1.571 -6.774 2.659) 7.445 9.541 ( 1.571 6.774 2.659) 7.445 9.663 ( 5.669 -2.455 -0.274) 6.184 9.663 ( 5.669 2.455 -0.274) 6.184 9.859 ( -0.078 -2.077 -0.739) 2.206 9.859 ( -0.078 2.077 -0.739) 2.206 9.922 ( 7.713 -2.846 0.294) 8.227 9.922 ( 7.713 2.846 0.294) 8.227 10.232 ( 2.172 -3.775 -3.667) 5.693 10.232 ( 2.172 3.775 -3.667) 5.694 10.418 ( 11.608 -4.458 7.550) 14.547 10.418 ( 11.608 4.458 7.550) 14.547 10.726 ( 13.807 -4.419 -0.847) 14.521 10.726 ( 13.807 4.419 -0.847) 14.521 10.928 ( 10.064 -3.541 -1.724) 10.807 10.928 ( 10.064 3.541 -1.724) 10.807 11.072 ( 6.357 -8.544 5.883) 12.166 11.072 ( 6.357 8.544 5.883) 12.166 11.506 ( 2.834 -5.658 -4.323) 7.664 11.506 ( 2.834 5.658 -4.323) 7.664 11.982 ( 6.514 -11.213 5.288) 14.005 11.982 ( 6.514 11.213 5.288) 14.005 12.515 ( -7.966 -4.644 -3.809) 9.976 12.515 ( -7.966 4.644 -3.809) 9.976 12.832 ( -5.900 -7.418 3.013) 9.946 12.832 ( -5.900 7.418 3.013) 9.946 14.000 ( 7.080 -7.114 -1.415) 10.136 14.000 ( 7.080 7.114 -1.415) 10.136 14.294 ( 6.474 -5.563 -2.307) 8.842 14.294 ( 6.474 5.563 -2.307) 8.842 14.491 ( 0.945 -1.784 3.284) 3.854 14.491 ( 0.945 1.784 3.284) 3.854 14.687 ( 4.869 -2.051 -4.087) 6.680 14.687 ( 4.869 2.051 -4.087) 6.680 16.333 ( -4.429 -2.107 4.837) 6.889 16.333 ( -4.429 2.107 4.837) 6.889 16.453 ( 0.491 -0.458 -10.665) 10.686 16.453 ( 0.491 0.458 -10.665) 10.686 17.000 ( -0.421 -2.539 -2.246) 3.416 17.000 ( -0.421 2.539 -2.246) 3.416 17.114 ( 0.875 -3.965 -1.840) 4.458 17.114 ( 0.875 3.965 -1.840) 4.458 17.343 ( -0.515 -1.277 0.727) 1.557 17.343 ( -0.515 1.277 0.727) 1.557 17.504 ( -1.165 -1.701 4.831) 5.252 17.504 ( -1.165 1.701 4.831) 5.252 17.630 ( 1.079 -1.522 1.638) 2.482 17.630 ( 1.079 1.522 1.638) 2.482 17.759 ( -0.049 -1.891 -0.831) 2.067 17.759 ( -0.049 1.891 -0.831) 2.067 17.906 ( 1.850 -3.108 -5.098) 6.251 17.906 ( 1.850 3.108 -5.098) 6.251 18.031 ( 0.959 -2.360 -3.743) 4.528 18.031 ( 0.959 2.360 -3.743) 4.528 18.119 ( 0.903 -1.988 7.645) 7.950 18.119 ( 0.903 1.988 7.645) 7.950 18.219 ( 2.292 -1.856 1.038) 3.127 18.219 ( 2.292 1.856 1.038) 3.127 18.591 ( -0.502 -4.281 4.427) 6.178 18.591 ( -0.502 4.281 4.427) 6.178 18.730 ( 0.402 -3.432 2.010) 3.997 18.730 ( 0.402 3.432 2.010) 3.997 20.498 ( -17.010 -0.430 0.554) 17.025 20.498 ( -17.010 0.430 0.554) 17.025 20.524 ( -16.757 -1.507 0.342) 16.828 20.524 ( -16.757 1.507 0.342) 16.828 21.029 ( -25.811 -16.358 -9.563) 32.019 21.029 ( -25.811 16.358 -9.563) 32.019 21.966 ( 7.215 -0.223 -0.412) 7.231 21.966 ( 7.215 0.223 -0.412) 7.231 22.022 ( 6.113 -1.171 -0.529) 6.247 22.022 ( 6.113 1.171 -0.529) 6.247 22.169 ( 2.071 -1.851 1.414) 3.117 22.169 ( 2.071 1.851 1.414) 3.117 26.947 ( -0.718 -0.700 1.112) 1.497 26.947 ( -0.718 0.700 1.112) 1.497 27.024 ( 0.298 -0.113 -0.442) 0.545 27.024 ( 0.298 0.113 -0.442) 0.545 27.499 ( -0.288 -1.322 2.022) 2.433 27.499 ( -0.288 1.322 2.022) 2.433 27.558 ( 1.080 -0.221 0.609) 1.259 27.558 ( 1.080 0.221 0.609) 1.259 27.677 ( 0.305 -1.268 -2.297) 2.642 27.677 ( 0.305 1.268 -2.297) 2.642 27.839 ( 2.612 -0.199 0.246) 2.631 27.839 ( 2.612 0.199 0.246) 2.631 36.648 ( -3.088 -2.635 -4.119) 5.783 36.648 ( -3.088 2.635 -4.119) 5.783 37.005 ( -0.689 -1.976 3.018) 3.672 37.005 ( -0.689 1.976 3.018) 3.672 37.082 ( -3.830 -2.469 3.573) 5.791 37.082 ( -3.830 2.469 3.573) 5.791 37.169 ( -0.260 -2.947 7.058) 7.653 37.169 ( -0.260 2.947 7.058) 7.653 37.535 ( -10.160 -0.835 1.694) 10.334 37.535 ( -10.160 0.835 1.694) 10.334 37.909 ( -3.612 -4.854 6.697) 9.026 37.909 ( -3.612 4.854 6.697) 9.026 38.101 ( -6.487 -4.330 -1.700) 7.982 38.101 ( -6.487 4.330 -1.700) 7.982 38.518 ( 2.320 -1.755 -8.010) 8.522 38.518 ( 2.320 1.755 -8.010) 8.522 38.555 ( 4.081 -10.717 -3.781) 12.075 38.555 ( 4.081 10.717 -3.781) 12.075 39.391 ( 36.362 -24.407 6.238) 44.236 39.391 ( 36.362 24.407 6.238) 44.236 39.825 ( 17.961 -1.555 0.657) 18.040 39.825 ( 17.961 1.555 0.657) 18.040 40.212 ( 25.289 -4.961 3.398) 25.994 40.212 ( 25.289 4.961 3.398) 25.994 ======================= Grid point 124 (69/84) ======================= q-point: (-0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.152 ( -6.245 -14.564 14.694) 21.611 1.152 ( -6.245 14.564 14.694) 21.611 1.495 ( -11.270 -13.066 11.971) 21.001 1.495 ( -11.270 13.066 11.971) 21.001 2.317 ( 1.875 -1.347 -1.364) 2.681 2.317 ( 1.875 1.347 -1.364) 2.681 2.495 ( -10.507 -3.683 0.010) 11.134 2.495 ( -10.507 3.683 0.010) 11.134 2.658 ( 2.251 -15.342 -15.697) 22.064 2.658 ( 2.251 15.342 -15.697) 22.064 3.061 ( 1.169 -10.737 14.198) 17.839 3.061 ( 1.169 10.737 14.198) 17.839 3.129 ( 1.758 -0.701 -0.386) 1.932 3.129 ( 1.758 0.702 -0.386) 1.932 3.415 ( 5.022 -3.648 -1.787) 6.459 3.415 ( 5.022 3.648 -1.787) 6.459 3.446 ( 1.590 -11.511 0.128) 11.621 3.446 ( 1.590 11.511 0.128) 11.621 3.740 ( 1.178 -6.911 5.148) 8.698 3.740 ( 1.178 6.911 5.148) 8.698 4.015 ( -8.729 -3.297 1.145) 9.401 4.015 ( -8.729 3.297 1.145) 9.401 4.093 ( -0.640 -1.288 4.320) 4.553 4.093 ( -0.640 1.288 4.320) 4.553 4.245 ( -4.691 -6.398 -3.993) 8.882 4.245 ( -4.691 6.398 -3.993) 8.882 4.364 ( -9.429 -1.296 -1.675) 9.664 4.364 ( -9.429 1.296 -1.675) 9.664 4.509 ( 1.248 -2.033 2.021) 3.127 4.509 ( 1.248 2.033 2.021) 3.127 4.767 ( -2.515 -2.309 -2.679) 4.340 4.767 ( -2.515 2.309 -2.679) 4.340 4.997 ( -7.546 -1.040 -0.173) 7.619 4.997 ( -7.546 1.040 -0.173) 7.619 5.100 ( -1.512 -5.445 4.767) 7.394 5.100 ( -1.512 5.445 4.767) 7.394 5.217 ( -1.688 -3.855 -7.457) 8.563 5.217 ( -1.688 3.855 -7.457) 8.563 5.532 ( -3.425 -2.230 -0.011) 4.087 5.532 ( -3.425 2.230 -0.011) 4.087 5.701 ( 0.232 -4.519 4.206) 6.178 5.701 ( 0.232 4.519 4.206) 6.178 5.927 ( -6.497 -2.413 1.242) 7.041 5.927 ( -6.497 2.413 1.242) 7.041 6.007 ( -3.817 -4.224 -0.056) 5.693 6.007 ( -3.817 4.224 -0.056) 5.693 6.165 ( -2.133 -8.197 -6.821) 10.875 6.165 ( -2.133 8.197 -6.821) 10.875 6.215 ( -10.577 -3.089 1.756) 11.158 6.215 ( -10.577 3.089 1.756) 11.158 6.430 ( -7.632 -6.292 0.394) 9.899 6.430 ( -7.632 6.292 0.394) 9.899 6.689 ( -3.345 -7.423 -3.316) 8.792 6.689 ( -3.345 7.423 -3.316) 8.792 6.791 ( -0.274 -7.886 2.562) 8.296 6.791 ( -0.274 7.886 2.562) 8.296 6.967 ( -1.501 -8.006 1.275) 8.245 6.967 ( -1.501 8.006 1.275) 8.245 7.008 ( 3.302 -7.951 -2.249) 8.898 7.008 ( 3.302 7.951 -2.249) 8.898 7.251 ( 0.233 -3.277 -2.386) 4.060 7.251 ( 0.233 3.277 -2.386) 4.060 7.353 ( -0.754 -4.151 -1.230) 4.394 7.353 ( -0.754 4.151 -1.230) 4.394 7.571 ( -6.910 -8.408 -1.295) 10.960 7.571 ( -6.910 8.408 -1.295) 10.960 7.665 ( -2.495 -3.316 5.340) 6.763 7.665 ( -2.495 3.316 5.340) 6.763 7.727 ( 0.643 -6.091 3.165) 6.895 7.727 ( 0.643 6.091 3.165) 6.895 7.887 ( -2.226 -0.908 1.292) 2.729 7.887 ( -2.226 0.908 1.292) 2.729 8.078 ( -2.648 -3.970 -0.144) 4.774 8.078 ( -2.648 3.970 -0.144) 4.774 8.178 ( -3.105 -5.452 -2.674) 6.820 8.178 ( -3.105 5.452 -2.674) 6.820 8.357 ( -3.103 -3.130 -1.482) 4.650 8.357 ( -3.103 3.130 -1.482) 4.650 8.441 ( 2.078 -5.206 -2.459) 6.121 8.441 ( 2.078 5.206 -2.459) 6.121 8.548 ( 0.462 -3.653 1.317) 3.911 8.548 ( 0.462 3.653 1.317) 3.911 8.852 ( 0.777 -0.318 -0.626) 1.047 8.852 ( 0.777 0.318 -0.626) 1.047 8.883 ( -0.223 -7.348 -5.425) 9.136 8.883 ( -0.223 7.348 -5.425) 9.136 9.016 ( 1.977 -1.592 -0.485) 2.584 9.016 ( 1.977 1.592 -0.485) 2.584 9.146 ( -0.793 -3.514 -3.268) 4.864 9.146 ( -0.793 3.514 -3.268) 4.864 9.268 ( 2.944 -0.842 -2.288) 3.822 9.268 ( 2.944 0.842 -2.288) 3.822 9.487 ( 3.793 -0.455 -0.356) 3.837 9.487 ( 3.793 0.455 -0.356) 3.837 9.571 ( 0.900 -5.108 0.423) 5.204 9.571 ( 0.900 5.108 0.423) 5.204 9.723 ( 1.744 -5.564 -2.963) 6.541 9.723 ( 1.744 5.564 -2.963) 6.541 9.913 ( 2.405 -1.982 4.108) 5.156 9.913 ( 2.405 1.982 4.108) 5.156 10.031 ( 3.509 -2.758 0.418) 4.483 10.031 ( 3.509 2.758 0.418) 4.483 10.249 ( 0.990 -6.897 1.636) 7.157 10.249 ( 0.990 6.897 1.636) 7.157 10.657 ( 7.545 -5.812 2.736) 9.910 10.657 ( 7.545 5.812 2.736) 9.910 10.897 ( 4.793 -5.668 -6.556) 9.903 10.897 ( 4.793 5.668 -6.556) 9.903 11.062 ( 6.905 -0.930 1.203) 7.071 11.062 ( 6.905 0.930 1.203) 7.071 11.320 ( 7.100 -12.221 11.023) 17.924 11.320 ( 7.100 12.221 11.023) 17.924 11.593 ( 9.122 -13.212 -2.703) 16.281 11.593 ( 9.122 13.212 -2.703) 16.281 12.105 ( 3.203 -5.827 4.978) 8.306 12.105 ( 3.203 5.827 4.978) 8.306 12.355 ( -4.933 -1.586 -2.359) 5.693 12.355 ( -4.933 1.586 -2.359) 5.693 12.723 ( -7.818 -7.370 2.859) 11.118 12.723 ( -7.818 7.370 2.859) 11.118 14.115 ( 4.979 -8.421 -1.360) 9.877 14.115 ( 4.979 8.421 -1.360) 9.877 14.371 ( 4.807 -0.943 -6.717) 8.313 14.371 ( 4.807 0.943 -6.717) 8.313 14.557 ( 3.197 -4.820 1.952) 6.104 14.557 ( 3.197 4.820 1.952) 6.104 14.753 ( 4.158 -3.511 -2.508) 5.992 14.753 ( 4.158 3.511 -2.508) 5.992 16.254 ( -5.691 -3.806 0.694) 6.881 16.254 ( -5.691 3.806 0.694) 6.881 16.385 ( 2.322 -1.314 -12.059) 12.350 16.385 ( 2.322 1.314 -12.059) 12.350 16.962 ( -0.362 -2.654 -4.422) 5.170 16.962 ( -0.362 2.654 -4.422) 5.170 17.161 ( 1.822 -7.530 5.741) 9.643 17.161 ( 1.822 7.530 5.741) 9.643 17.351 ( 0.324 -3.545 1.747) 3.965 17.351 ( 0.324 3.545 1.747) 3.965 17.514 ( -1.313 -2.804 3.310) 4.533 17.514 ( -1.313 2.804 3.310) 4.533 17.648 ( 0.176 -3.204 -0.014) 3.209 17.648 ( 0.176 3.204 -0.014) 3.209 17.766 ( 0.728 -0.824 0.155) 1.110 17.766 ( 0.728 0.824 0.155) 1.110 17.896 ( 0.858 -1.449 -4.140) 4.470 17.896 ( 0.858 1.449 -4.140) 4.470 18.018 ( 1.498 -6.326 -5.228) 8.342 18.018 ( 1.498 6.326 -5.228) 8.342 18.198 ( 1.180 -2.378 6.150) 6.698 18.198 ( 1.180 2.378 6.150) 6.698 18.275 ( 1.751 -2.507 2.354) 3.859 18.275 ( 1.751 2.507 2.354) 3.859 18.633 ( 1.105 -5.163 3.401) 6.280 18.633 ( 1.105 5.163 3.401) 6.280 18.762 ( 0.470 -3.725 3.324) 5.014 18.762 ( 0.470 3.725 3.324) 5.014 20.225 ( -10.668 -0.361 -0.025) 10.674 20.225 ( -10.668 0.361 -0.025) 10.674 20.262 ( -10.164 -0.364 0.460) 10.181 20.262 ( -10.164 0.364 0.460) 10.181 20.431 ( -25.173 -6.419 -5.662) 26.589 20.431 ( -25.173 6.419 -5.662) 26.589 22.072 ( 3.843 -0.169 0.104) 3.848 22.072 ( 3.843 0.169 0.104) 3.848 22.106 ( 2.960 -0.805 -0.284) 3.081 22.106 ( 2.960 0.805 -0.284) 3.081 22.198 ( 0.318 -0.856 0.636) 1.112 22.198 ( 0.318 0.856 0.636) 1.112 26.945 ( -0.440 -1.104 1.248) 1.723 26.945 ( -0.440 1.104 1.248) 1.723 27.026 ( 0.078 -0.330 -0.206) 0.397 27.026 ( 0.078 0.330 -0.206) 0.397 27.513 ( -0.206 -1.443 2.314) 2.735 27.513 ( -0.206 1.443 2.314) 2.735 27.583 ( 0.802 -0.292 0.708) 1.109 27.583 ( 0.802 0.292 0.708) 1.109 27.669 ( 0.830 -1.620 -2.428) 3.035 27.669 ( 0.830 1.620 -2.428) 3.035 27.889 ( 2.008 -0.288 0.378) 2.063 27.889 ( 2.008 0.288 0.378) 2.063 36.582 ( -1.052 -2.557 -2.530) 3.748 36.582 ( -1.052 2.557 -2.530) 3.748 36.981 ( -2.373 -1.160 1.588) 3.082 36.981 ( -2.373 1.160 1.588) 3.082 37.064 ( -1.724 -1.903 4.097) 4.835 37.064 ( -1.724 1.903 4.097) 4.835 37.237 ( 0.181 -3.382 5.826) 6.739 37.237 ( 0.181 3.382 5.826) 6.739 37.395 ( -4.908 -1.975 3.483) 6.334 37.395 ( -4.908 1.975 3.483) 6.334 37.894 ( -2.847 -0.725 1.877) 3.487 37.894 ( -2.847 0.725 1.877) 3.487 38.040 ( -1.396 -2.770 6.209) 6.941 38.040 ( -1.396 2.770 6.209) 6.941 38.446 ( 0.149 -8.377 -13.484) 15.875 38.446 ( 0.149 8.377 -13.484) 15.875 38.594 ( 2.579 -19.110 -4.634) 19.832 38.594 ( 2.579 19.110 -4.634) 19.832 40.065 ( 18.066 -11.800 3.063) 21.795 40.065 ( 18.066 11.800 3.063) 21.795 40.176 ( 22.050 -6.678 -1.097) 23.065 40.176 ( 22.050 6.678 -1.097) 23.065 40.700 ( 21.485 -4.814 3.044) 22.227 40.700 ( 21.485 4.814 3.044) 22.227 ======================= Grid point 135 (70/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.270 ( 0.357 0.000 -12.437) 12.442 1.270 ( -0.357 0.000 12.437) 12.442 1.550 ( 2.412 0.000 -9.935) 10.224 1.550 ( -2.412 0.000 9.935) 10.224 1.980 ( 1.203 0.000 -12.533) 12.591 1.980 ( -1.203 0.000 12.533) 12.591 2.323 ( 1.171 0.000 -1.476) 1.884 2.323 ( -1.171 0.000 1.476) 1.884 2.645 ( 4.681 0.000 -4.799) 6.704 2.645 ( -4.681 0.000 4.799) 6.704 2.974 ( -7.369 0.000 -7.105) 10.237 2.974 ( 7.369 0.000 7.105) 10.237 3.276 ( -1.812 0.000 -8.162) 8.361 3.276 ( 1.812 0.000 8.162) 8.361 3.375 ( -4.884 0.000 0.374) 4.898 3.375 ( 4.884 0.000 -0.374) 4.898 3.592 ( 3.075 0.000 -3.721) 4.827 3.592 ( -3.075 0.000 3.721) 4.827 3.759 ( -9.979 0.000 0.789) 10.010 3.759 ( 9.979 0.000 -0.789) 10.010 3.831 ( -6.756 0.000 -5.840) 8.930 3.831 ( 6.756 0.000 5.840) 8.930 4.093 ( -9.167 0.000 -2.634) 9.538 4.093 ( 9.167 0.000 2.634) 9.538 4.261 ( 2.278 0.000 -1.300) 2.622 4.261 ( -2.278 0.000 1.300) 2.622 4.481 ( -2.011 0.000 -0.455) 2.062 4.481 ( 2.011 0.000 0.455) 2.062 4.560 ( 5.368 0.000 -5.638) 7.785 4.560 ( -5.368 0.000 5.638) 7.785 4.706 ( 1.888 0.000 -10.860) 11.023 4.706 ( -1.888 0.000 10.860) 11.023 4.989 ( -3.374 0.000 -0.646) 3.435 4.989 ( 3.374 0.000 0.646) 3.435 5.081 ( 0.646 0.000 -1.322) 1.471 5.081 ( -0.646 0.000 1.322) 1.471 5.243 ( 0.974 0.000 -14.080) 14.114 5.243 ( -0.974 0.000 14.080) 14.114 5.536 ( -1.833 0.000 -5.744) 6.029 5.536 ( 1.833 0.000 5.744) 6.029 5.677 ( 4.028 0.000 -2.883) 4.953 5.677 ( -4.028 0.000 2.883) 4.953 5.827 ( 3.177 0.000 -1.583) 3.550 5.827 ( -3.177 0.000 1.583) 3.550 5.912 ( 2.255 0.000 -0.874) 2.419 5.912 ( -2.255 0.000 0.874) 2.419 6.043 ( 0.902 0.000 -8.855) 8.901 6.043 ( -0.902 0.000 8.855) 8.901 6.220 ( -1.833 0.000 -2.550) 3.140 6.220 ( 1.833 0.000 2.550) 3.140 6.342 ( 2.973 0.000 -7.407) 7.981 6.342 ( -2.973 0.000 7.407) 7.981 6.564 ( 2.061 0.000 -1.975) 2.854 6.564 ( -2.061 0.000 1.975) 2.854 6.737 ( 4.277 0.000 -6.182) 7.518 6.737 ( -4.277 0.000 6.182) 7.518 7.007 ( -3.420 0.000 -0.697) 3.490 7.007 ( 3.420 0.000 0.697) 3.490 7.082 ( -9.187 0.000 -2.709) 9.578 7.082 ( 9.187 0.000 2.709) 9.578 7.141 ( 1.569 0.000 -2.413) 2.879 7.141 ( -1.569 0.000 2.413) 2.879 7.355 ( 2.249 0.000 -4.435) 4.973 7.355 ( -2.249 0.000 4.435) 4.973 7.479 ( -3.218 0.000 -0.015) 3.218 7.479 ( 3.218 0.000 0.015) 3.218 7.663 ( -1.527 0.000 -1.224) 1.957 7.663 ( 1.527 0.000 1.224) 1.957 7.859 ( 1.913 0.000 -2.415) 3.081 7.859 ( -1.913 0.000 2.415) 3.081 7.931 ( 0.951 0.000 -7.422) 7.483 7.931 ( -0.951 0.000 7.422) 7.483 8.062 ( -3.030 0.000 -3.674) 4.762 8.062 ( 3.030 0.000 3.674) 4.762 8.173 ( 0.978 0.000 -4.832) 4.930 8.173 ( -0.978 0.000 4.832) 4.930 8.235 ( -4.752 0.000 0.739) 4.809 8.235 ( 4.752 0.000 -0.739) 4.809 8.514 ( -3.209 0.000 -1.895) 3.727 8.514 ( 3.209 0.000 1.895) 3.727 8.580 ( -3.612 0.000 -1.178) 3.800 8.580 ( 3.612 0.000 1.178) 3.800 8.694 ( -0.024 0.000 -2.877) 2.877 8.694 ( 0.024 0.000 2.877) 2.877 8.881 ( -1.140 0.000 -6.978) 7.071 8.881 ( 1.140 0.000 6.978) 7.071 9.113 ( 0.725 0.000 -4.928) 4.981 9.113 ( -0.725 0.000 4.928) 4.981 9.135 ( -2.978 0.000 -3.215) 4.383 9.135 ( 2.978 0.000 3.215) 4.383 9.172 ( -0.119 0.000 -1.716) 1.720 9.172 ( 0.119 0.000 1.716) 1.720 9.346 ( 0.799 0.000 -2.389) 2.520 9.346 ( -0.799 0.000 2.389) 2.520 9.622 ( 1.382 0.000 -2.433) 2.798 9.622 ( -1.382 0.000 2.433) 2.798 9.726 ( -0.932 0.000 -2.354) 2.532 9.726 ( 0.932 0.000 2.354) 2.532 10.017 ( 3.488 0.000 -1.867) 3.956 10.017 ( -3.488 0.000 1.867) 3.956 10.038 ( -3.139 0.000 -0.693) 3.215 10.038 ( 3.139 0.000 0.693) 3.215 10.309 ( 0.234 0.000 -5.625) 5.630 10.309 ( -0.234 0.000 5.625) 5.630 10.698 ( -6.255 0.000 -4.531) 7.724 10.698 ( 6.255 0.000 4.531) 7.724 10.863 ( -4.369 0.000 -1.616) 4.658 10.863 ( 4.369 0.000 1.616) 4.658 11.162 ( 2.528 0.000 -2.857) 3.815 11.162 ( -2.528 0.000 2.857) 3.815 11.323 ( 4.682 0.000 -4.744) 6.665 11.323 ( -4.682 0.000 4.744) 6.665 11.948 ( 5.805 0.000 -6.903) 9.019 11.948 ( -5.805 0.000 6.903) 9.019 12.146 ( 4.899 0.000 -8.884) 10.145 12.146 ( -4.899 0.000 8.884) 10.145 12.382 ( -6.772 0.000 -4.003) 7.867 12.382 ( 6.772 0.000 4.003) 7.867 12.813 ( -18.881 0.000 4.581) 19.429 12.813 ( 18.881 0.000 -4.581) 19.429 14.000 ( 1.328 0.000 -12.836) 12.905 14.000 ( -1.328 0.000 12.836) 12.905 14.399 ( -4.339 0.000 -1.668) 4.648 14.399 ( 4.339 0.000 1.668) 4.648 14.483 ( 3.418 0.000 -2.985) 4.538 14.483 ( -3.418 0.000 2.985) 4.538 14.792 ( 2.063 0.000 -4.954) 5.366 14.792 ( -2.063 0.000 4.954) 5.366 16.106 ( 3.838 0.000 -4.937) 6.254 16.106 ( -3.838 0.000 4.937) 6.254 16.320 ( 5.006 0.000 -2.038) 5.405 16.320 ( -5.006 0.000 2.038) 5.405 16.949 ( -1.484 0.000 -2.171) 2.630 16.949 ( 1.484 0.000 2.171) 2.630 17.084 ( 2.507 0.000 -5.125) 5.705 17.084 ( -2.507 0.000 5.125) 5.705 17.386 ( 1.363 0.000 -2.778) 3.095 17.386 ( -1.363 0.000 2.778) 3.095 17.509 ( -0.089 0.000 -1.570) 1.573 17.509 ( 0.089 0.000 1.570) 1.573 17.715 ( 3.707 0.000 -5.664) 6.769 17.715 ( -3.707 0.000 5.664) 6.769 17.756 ( -1.034 0.000 -0.587) 1.189 17.756 ( 1.034 0.000 0.587) 1.189 17.822 ( -1.678 0.000 0.173) 1.687 17.822 ( 1.678 0.000 -0.173) 1.687 18.046 ( 1.384 0.000 -7.062) 7.196 18.046 ( -1.384 0.000 7.062) 7.196 18.227 ( 2.247 0.000 -1.548) 2.728 18.227 ( -2.247 0.000 1.548) 2.728 18.417 ( 0.295 0.000 -1.841) 1.865 18.417 ( -0.295 0.000 1.841) 1.865 18.569 ( 2.239 0.000 -2.808) 3.591 18.569 ( -2.239 0.000 2.808) 3.591 18.929 ( -0.254 0.000 -0.532) 0.590 18.929 ( 0.254 0.000 0.532) 0.590 20.104 ( -1.327 0.000 -0.020) 1.328 20.104 ( 1.327 0.000 0.020) 1.328 20.142 ( -0.462 0.000 0.001) 0.462 20.142 ( 0.462 0.000 -0.001) 0.462 20.171 ( -0.190 0.000 -0.006) 0.191 20.171 ( 0.190 0.000 0.006) 0.191 22.113 ( 0.212 0.000 -0.228) 0.312 22.113 ( -0.212 0.000 0.228) 0.312 22.132 ( -0.804 0.000 -0.586) 0.995 22.132 ( 0.804 0.000 0.586) 0.995 22.207 ( -0.730 0.000 -0.269) 0.778 22.207 ( 0.730 0.000 0.269) 0.778 26.962 ( 0.147 0.000 -1.992) 1.998 26.962 ( -0.147 0.000 1.992) 1.998 27.022 ( 0.318 0.000 -1.124) 1.168 27.022 ( -0.318 0.000 1.124) 1.168 27.558 ( 0.662 0.000 -2.940) 3.014 27.558 ( -0.662 0.000 2.940) 3.014 27.590 ( 0.532 0.000 -0.730) 0.903 27.590 ( -0.532 0.000 0.730) 0.903 27.647 ( 0.220 0.000 -1.943) 1.955 27.647 ( -0.220 0.000 1.943) 1.955 27.916 ( 0.054 0.000 -0.222) 0.228 27.916 ( -0.054 0.000 0.222) 0.228 36.538 ( -0.136 0.000 -2.226) 2.230 36.538 ( 0.136 0.000 2.226) 2.230 37.036 ( 0.481 0.000 -2.054) 2.110 37.036 ( -0.481 0.000 2.054) 2.110 37.112 ( -2.524 0.000 -5.415) 5.974 37.112 ( 2.524 0.000 5.415) 5.974 37.216 ( -0.103 0.000 -1.490) 1.493 37.216 ( 0.103 0.000 1.490) 1.493 37.577 ( -0.520 0.000 -0.064) 0.524 37.577 ( 0.520 0.000 0.064) 0.524 37.817 ( -3.079 0.000 -1.478) 3.415 37.817 ( 3.079 0.000 1.478) 3.415 37.950 ( 1.194 0.000 -1.418) 1.854 37.950 ( -1.194 0.000 1.418) 1.854 38.215 ( -1.505 0.000 -11.685) 11.782 38.215 ( 1.505 0.000 11.685) 11.782 38.557 ( -0.684 0.000 -20.608) 20.619 38.557 ( 0.684 0.000 20.608) 20.619 40.211 ( 1.310 0.000 -0.892) 1.585 40.211 ( -1.310 0.000 0.892) 1.585 40.480 ( -2.523 0.000 -5.612) 6.153 40.480 ( 2.523 0.000 5.612) 6.153 40.990 ( 4.463 0.000 -3.467) 5.651 40.990 ( -4.463 0.000 3.467) 5.651 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.392 ( 19.781 0.000 -9.114) 21.780 1.423 ( 11.929 0.000 -18.152) 21.721 1.612 ( 3.452 0.000 2.290) 4.143 1.634 ( 9.601 0.000 11.498) 14.980 1.913 ( 1.484 0.000 -6.296) 6.469 2.063 ( 2.894 0.000 5.657) 6.354 2.371 ( 2.757 0.000 -1.909) 3.353 2.434 ( 9.131 0.000 0.001) 9.131 2.580 ( 1.042 0.000 -5.070) 5.176 2.683 ( 0.260 0.000 3.081) 3.092 2.888 ( 2.355 0.000 3.160) 3.941 3.055 ( -4.483 0.000 -3.083) 5.441 3.193 ( -1.692 0.000 -5.498) 5.752 3.220 ( -2.611 0.000 -5.100) 5.729 3.347 ( -3.843 0.000 -8.723) 9.532 3.395 ( -2.521 0.000 3.426) 4.254 3.537 ( -5.426 0.000 1.032) 5.523 3.652 ( -5.903 0.000 0.054) 5.903 3.674 ( 4.612 0.000 1.161) 4.756 3.775 ( 8.544 0.000 16.078) 18.208 3.881 ( 0.841 0.000 1.286) 1.536 3.952 ( -0.563 0.000 6.452) 6.477 4.014 ( 7.160 0.000 -5.893) 9.274 4.222 ( -1.272 0.000 -0.019) 1.273 4.286 ( 1.741 0.000 1.354) 2.206 4.313 ( -0.995 0.000 -2.826) 2.996 4.420 ( 2.970 0.000 -3.580) 4.652 4.531 ( 8.535 0.000 -5.571) 10.193 4.547 ( -1.163 0.000 3.944) 4.112 4.650 ( 6.648 0.000 -1.297) 6.774 4.662 ( 3.244 0.000 -8.785) 9.365 4.749 ( 0.991 0.000 3.145) 3.297 4.959 ( -0.112 0.000 0.926) 0.933 5.098 ( 1.187 0.000 6.061) 6.177 5.121 ( 7.847 0.000 -0.097) 7.848 5.122 ( 5.210 0.000 -1.350) 5.383 5.216 ( 3.343 0.000 -3.118) 4.572 5.378 ( 1.776 0.000 15.357) 15.460 5.406 ( -3.505 0.000 -8.983) 9.643 5.588 ( 2.353 0.000 1.388) 2.732 5.731 ( 5.804 0.000 2.447) 6.298 5.781 ( 0.466 0.000 1.644) 1.709 5.795 ( 4.775 0.000 -3.076) 5.680 5.863 ( 1.095 0.000 1.475) 1.837 5.943 ( 4.841 0.000 0.103) 4.843 6.034 ( 2.438 0.000 -0.257) 2.451 6.041 ( 5.684 0.000 -4.236) 7.089 6.048 ( 6.357 0.000 1.912) 6.639 6.256 ( 2.273 0.000 2.496) 3.376 6.348 ( 3.961 0.000 -6.192) 7.351 6.379 ( 0.936 0.000 9.315) 9.362 6.454 ( 16.208 0.000 3.592) 16.601 6.605 ( 4.898 0.000 -13.026) 13.917 6.614 ( 5.333 0.000 2.029) 5.706 6.756 ( 1.077 0.000 12.567) 12.613 6.783 ( 4.004 0.000 -1.634) 4.324 6.907 ( -3.071 0.000 -5.413) 6.224 6.939 ( -2.692 0.000 -1.607) 3.135 7.026 ( 1.425 0.000 -2.560) 2.930 7.140 ( -1.743 0.000 5.661) 5.923 7.246 ( 6.950 0.000 -0.872) 7.004 7.306 ( -3.684 0.000 5.635) 6.732 7.350 ( -1.347 0.000 -2.457) 2.802 7.360 ( 11.998 0.000 0.534) 12.010 7.440 ( 2.008 0.000 2.273) 3.033 7.551 ( 3.118 0.000 -1.434) 3.432 7.708 ( 8.440 0.000 2.474) 8.795 7.727 ( 4.833 0.000 -3.150) 5.769 7.811 ( -2.993 0.000 1.167) 3.212 7.841 ( -3.643 0.000 9.793) 10.448 7.966 ( -1.434 0.000 -2.103) 2.546 7.994 ( 4.629 0.000 -2.268) 5.155 8.049 ( 3.924 0.000 1.600) 4.237 8.114 ( 4.779 0.000 -11.494) 12.448 8.133 ( -0.103 0.000 0.752) 0.759 8.178 ( -1.826 0.000 5.434) 5.732 8.239 ( 1.214 0.000 6.025) 6.146 8.321 ( 4.095 0.000 -3.349) 5.290 8.405 ( -6.159 0.000 -1.203) 6.276 8.511 ( -2.744 0.000 -1.804) 3.284 8.557 ( -0.154 0.000 2.541) 2.546 8.676 ( 3.750 0.000 2.918) 4.751 8.703 ( 2.083 0.000 1.127) 2.368 8.722 ( 0.637 0.000 1.321) 1.467 8.823 ( 1.252 0.000 -3.494) 3.711 8.921 ( -2.333 0.000 2.757) 3.612 9.055 ( 0.595 0.000 -5.604) 5.635 9.101 ( -5.183 0.000 -2.489) 5.750 9.123 ( -0.608 0.000 4.982) 5.019 9.136 ( -3.767 0.000 -0.446) 3.793 9.157 ( -0.899 0.000 7.175) 7.232 9.187 ( -0.328 0.000 1.912) 1.940 9.329 ( -0.541 0.000 -3.071) 3.119 9.338 ( -2.042 0.000 2.294) 3.071 9.591 ( -3.782 0.000 3.673) 5.272 9.596 ( -1.888 0.000 -2.632) 3.239 9.667 ( -2.140 0.000 -4.305) 4.807 9.740 ( -1.451 0.000 2.242) 2.671 9.932 ( -5.038 0.000 -2.254) 5.519 9.955 ( -4.569 0.000 -0.162) 4.572 10.034 ( 1.130 0.000 -4.206) 4.355 10.076 ( -0.322 0.000 0.914) 0.969 10.238 ( -1.943 0.000 -7.718) 7.958 10.316 ( -3.660 0.000 4.070) 5.474 10.541 ( -5.969 0.000 -2.418) 6.441 10.728 ( -8.915 0.000 0.717) 8.944 10.811 ( -0.396 0.000 6.058) 6.071 10.914 ( -2.307 0.000 2.444) 3.361 11.038 ( -9.508 0.000 -0.213) 9.510 11.065 ( -10.922 0.000 0.060) 10.923 11.172 ( -10.898 0.000 -0.207) 10.900 11.266 ( -3.285 0.000 -6.746) 7.503 11.813 ( -12.538 0.000 4.728) 13.400 11.949 ( -0.636 0.000 -2.892) 2.961 12.175 ( -6.506 0.000 -9.292) 11.343 12.204 ( 1.836 0.000 8.873) 9.061 12.272 ( 1.338 0.000 -2.024) 2.427 12.509 ( -6.459 0.000 2.173) 6.815 12.556 ( 8.216 0.000 -1.585) 8.367 13.043 ( 10.511 0.000 -9.280) 14.021 13.903 ( -0.790 0.000 -9.544) 9.576 14.045 ( -4.500 0.000 11.967) 12.786 14.255 ( -8.100 0.000 -1.446) 8.228 14.417 ( -2.827 0.000 2.206) 3.585 14.466 ( -2.754 0.000 5.049) 5.751 14.521 ( 2.317 0.000 -2.429) 3.357 14.758 ( -4.802 0.000 2.651) 5.485 14.768 ( 0.585 0.000 -6.396) 6.423 16.125 ( 0.146 0.000 7.582) 7.583 16.192 ( 7.619 0.000 -2.140) 7.914 16.272 ( -2.828 0.000 5.209) 5.927 16.413 ( 4.865 0.000 0.006) 4.865 16.916 ( -0.054 0.000 -1.893) 1.894 16.998 ( 2.860 0.000 -1.326) 3.152 17.083 ( -1.930 0.000 5.013) 5.372 17.093 ( 1.786 0.000 -2.969) 3.465 17.402 ( -0.106 0.000 4.226) 4.228 17.403 ( 1.496 0.000 -1.282) 1.971 17.485 ( 0.227 0.000 -3.305) 3.313 17.508 ( -0.562 0.000 -0.556) 0.791 17.679 ( -4.477 0.000 5.275) 6.919 17.703 ( -1.071 0.000 -3.142) 3.319 17.748 ( 2.412 0.000 -4.654) 5.242 17.758 ( -2.314 0.000 2.513) 3.416 17.812 ( -0.236 0.000 1.590) 1.607 17.864 ( 1.143 0.000 3.334) 3.525 17.960 ( -3.014 0.000 -8.339) 8.868 18.042 ( -3.888 0.000 6.706) 7.752 18.183 ( -2.752 0.000 0.133) 2.755 18.239 ( 0.895 0.000 -2.938) 3.072 18.386 ( -0.807 0.000 -3.847) 3.931 18.395 ( -2.365 0.000 -0.907) 2.533 18.552 ( -2.178 0.000 3.661) 4.260 18.590 ( 2.137 0.000 -2.618) 3.380 18.887 ( -2.719 0.000 -1.686) 3.199 18.902 ( -2.893 0.000 0.024) 2.894 20.220 ( 11.788 0.000 -0.429) 11.795 20.235 ( 10.939 0.000 -0.240) 10.942 20.276 ( 11.508 0.000 0.593) 11.524 20.288 ( 12.733 0.000 -2.000) 12.889 20.295 ( 13.360 0.000 0.166) 13.361 20.401 ( 23.579 0.000 7.198) 24.654 22.074 ( -3.778 0.000 -0.125) 3.780 22.080 ( -3.382 0.000 -0.395) 3.405 22.087 ( -3.474 0.000 -0.635) 3.532 22.128 ( -1.686 0.000 0.366) 1.726 22.180 ( -2.113 0.000 -0.000) 2.113 22.217 ( 0.018 0.000 0.546) 0.546 26.954 ( 0.688 0.000 -1.782) 1.910 26.978 ( 0.009 0.000 1.932) 1.932 27.015 ( 0.134 0.000 -1.464) 1.470 27.020 ( -0.725 0.000 0.879) 1.139 27.538 ( -0.503 0.000 -2.016) 2.077 27.559 ( -1.554 0.000 2.643) 3.066 27.578 ( -0.889 0.000 -0.219) 0.915 27.588 ( -0.509 0.000 0.144) 0.529 27.633 ( 0.452 0.000 -2.594) 2.633 27.656 ( -0.256 0.000 1.527) 1.548 27.896 ( -1.620 0.000 -0.691) 1.762 27.897 ( -1.856 0.000 -0.136) 1.861 36.533 ( 1.482 0.000 -1.994) 2.485 36.573 ( 1.583 0.000 2.317) 2.806 37.028 ( 0.111 0.000 -4.102) 4.103 37.063 ( 1.890 0.000 1.227) 2.253 37.068 ( 2.806 0.000 -4.123) 4.988 37.211 ( 1.026 0.000 -0.443) 1.118 37.244 ( 1.961 0.000 -0.053) 1.962 37.247 ( 6.883 0.000 3.795) 7.860 37.547 ( 0.540 0.000 -6.494) 6.516 37.575 ( 1.635 0.000 -4.556) 4.841 37.753 ( -2.381 0.000 -0.568) 2.448 37.897 ( 4.019 0.000 1.192) 4.192 37.996 ( 3.410 0.000 3.336) 4.770 38.009 ( 4.847 0.000 0.279) 4.855 38.111 ( -2.877 0.000 -1.491) 3.240 38.334 ( -1.262 0.000 15.077) 15.129 38.364 ( -2.222 0.000 -16.965) 17.109 38.707 ( -2.668 0.000 20.027) 20.204 40.071 ( -12.554 0.000 -12.123) 17.452 40.078 ( -10.760 0.000 -2.964) 11.161 40.230 ( -18.865 0.000 -1.927) 18.964 40.397 ( -15.805 0.000 6.446) 17.069 40.627 ( -31.327 0.000 -4.225) 31.611 40.828 ( -16.955 0.000 -0.362) 16.959 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.519 ( 15.193 0.000 -16.519) 22.444 1.633 ( 9.464 0.000 -11.469) 14.869 1.785 ( 14.096 0.000 -7.076) 15.773 1.949 ( 11.225 0.000 5.113) 12.335 1.993 ( 6.295 0.000 14.366) 15.685 2.194 ( 8.734 0.000 0.801) 8.771 2.385 ( 2.538 0.000 -2.896) 3.851 2.577 ( 3.800 0.000 -4.840) 6.154 2.664 ( 10.855 0.000 -9.121) 14.179 2.681 ( -4.445 0.000 4.108) 6.053 2.867 ( -5.259 0.000 -6.697) 8.515 3.033 ( 5.560 0.000 4.889) 7.404 3.080 ( -4.569 0.000 -3.306) 5.640 3.095 ( -8.855 0.000 0.885) 8.899 3.224 ( 2.064 0.000 -11.373) 11.559 3.377 ( 2.383 0.000 0.149) 2.388 3.526 ( -0.297 0.000 3.369) 3.382 3.588 ( -1.795 0.000 5.847) 6.117 3.678 ( -4.888 0.000 -0.420) 4.906 3.855 ( -5.536 0.000 0.314) 5.545 3.927 ( -2.198 0.000 0.916) 2.381 4.077 ( 0.078 0.000 1.968) 1.969 4.121 ( -3.831 0.000 9.197) 9.963 4.193 ( 11.432 0.000 -0.133) 11.432 4.236 ( -2.623 0.000 1.163) 2.869 4.347 ( 5.447 0.000 7.111) 8.958 4.505 ( 7.220 0.000 -2.673) 7.699 4.581 ( 2.568 0.000 -0.028) 2.568 4.629 ( 6.642 0.000 -6.111) 9.026 4.685 ( 4.183 0.000 -5.297) 6.749 4.743 ( 1.199 0.000 -4.074) 4.247 4.879 ( 12.649 0.000 -2.414) 12.877 4.997 ( 3.096 0.000 0.262) 3.107 5.190 ( 3.184 0.000 10.860) 11.317 5.250 ( 6.349 0.000 -0.525) 6.370 5.286 ( 2.372 0.000 4.433) 5.028 5.299 ( 2.436 0.000 -6.965) 7.379 5.320 ( 10.322 0.000 -0.253) 10.325 5.518 ( 0.601 0.000 7.982) 8.004 5.644 ( 4.138 0.000 -4.850) 6.375 5.766 ( -0.954 0.000 1.803) 2.040 5.872 ( 4.909 0.000 -1.554) 5.149 5.905 ( 7.547 0.000 -2.786) 8.045 5.911 ( 4.088 0.000 0.147) 4.090 6.025 ( -1.322 0.000 6.608) 6.739 6.068 ( 2.639 0.000 -0.211) 2.648 6.121 ( 8.036 0.000 3.062) 8.599 6.316 ( 1.944 0.000 -3.474) 3.980 6.329 ( 17.060 0.000 0.396) 17.064 6.437 ( 4.262 0.000 6.260) 7.573 6.523 ( 8.365 0.000 4.102) 9.317 6.568 ( 5.286 0.000 -9.420) 10.801 6.674 ( -2.693 0.000 -3.089) 4.098 6.840 ( 7.740 0.000 2.363) 8.093 6.842 ( -1.158 0.000 -1.597) 1.973 6.849 ( 14.494 0.000 1.350) 14.557 6.918 ( 8.800 0.000 1.532) 8.933 7.016 ( 11.147 0.000 3.127) 11.577 7.099 ( 6.601 0.000 0.787) 6.648 7.162 ( -0.421 0.000 6.077) 6.092 7.261 ( -0.037 0.000 -5.747) 5.747 7.273 ( -2.496 0.000 4.360) 5.023 7.349 ( 5.240 0.000 -1.787) 5.537 7.518 ( 3.118 0.000 -9.749) 10.235 7.607 ( 5.956 0.000 6.339) 8.698 7.615 ( 8.009 0.000 2.669) 8.442 7.757 ( 2.749 0.000 -0.725) 2.843 7.821 ( -3.193 0.000 1.994) 3.764 7.836 ( 2.192 0.000 0.682) 2.296 7.950 ( 0.533 0.000 8.956) 8.972 7.985 ( 1.507 0.000 -6.893) 7.055 8.030 ( 8.493 0.000 2.252) 8.787 8.057 ( 1.381 0.000 -4.084) 4.311 8.117 ( -0.300 0.000 0.325) 0.442 8.220 ( 7.999 0.000 -1.701) 8.178 8.229 ( 0.133 0.000 9.664) 9.665 8.264 ( -6.054 0.000 3.920) 7.213 8.289 ( 0.812 0.000 -0.042) 0.814 8.370 ( 4.150 0.000 -5.787) 7.121 8.458 ( -0.889 0.000 -1.516) 1.757 8.584 ( 0.407 0.000 3.766) 3.788 8.723 ( -1.429 0.000 -3.124) 3.435 8.730 ( -0.874 0.000 1.462) 1.703 8.738 ( 2.350 0.000 -1.636) 2.863 8.888 ( -3.343 0.000 4.790) 5.841 8.898 ( 4.998 0.000 2.529) 5.602 8.966 ( -4.641 0.000 -1.147) 4.781 9.033 ( -4.969 0.000 -0.075) 4.969 9.075 ( 4.006 0.000 -2.833) 4.906 9.110 ( -6.178 0.000 5.395) 8.202 9.141 ( -5.230 0.000 1.032) 5.331 9.177 ( -2.974 0.000 2.738) 4.043 9.264 ( -2.571 0.000 -3.564) 4.395 9.313 ( -2.292 0.000 2.942) 3.729 9.517 ( -5.684 0.000 0.379) 5.697 9.573 ( -2.535 0.000 6.058) 6.567 9.605 ( 1.418 0.000 -4.425) 4.646 9.714 ( -3.475 0.000 3.696) 5.073 9.799 ( -4.944 0.000 -3.102) 5.836 9.879 ( -3.483 0.000 0.926) 3.604 10.020 ( 1.928 0.000 -4.386) 4.791 10.020 ( -5.192 0.000 -1.259) 5.343 10.099 ( -5.647 0.000 -9.293) 10.875 10.200 ( -11.392 0.000 1.714) 11.520 10.460 ( -0.853 0.000 -1.059) 1.360 10.540 ( -12.406 0.000 2.914) 12.743 10.628 ( -19.749 0.000 1.271) 19.789 10.841 ( -11.706 0.000 5.813) 13.070 10.855 ( -8.345 0.000 -2.726) 8.779 10.871 ( -3.811 0.000 -0.837) 3.902 10.925 ( -13.450 0.000 -1.531) 13.537 11.185 ( -1.354 0.000 -1.697) 2.171 11.608 ( -10.394 0.000 1.469) 10.497 11.759 ( -14.901 0.000 -12.988) 19.767 11.884 ( -3.121 0.000 -4.617) 5.573 12.276 ( -1.817 0.000 2.682) 3.239 12.403 ( 7.679 0.000 2.732) 8.150 12.587 ( 4.568 0.000 7.735) 8.983 12.640 ( 3.155 0.000 -2.861) 4.260 13.083 ( 2.981 0.000 -10.083) 10.514 13.853 ( 2.007 0.000 -4.568) 4.989 14.034 ( -5.249 0.000 8.863) 10.300 14.107 ( -4.593 0.000 -2.939) 5.453 14.375 ( -4.349 0.000 3.590) 5.639 14.434 ( -4.179 0.000 5.937) 7.261 14.527 ( 1.240 0.000 -4.155) 4.337 14.661 ( -6.201 0.000 0.953) 6.274 14.714 ( -0.410 0.000 -7.049) 7.061 16.217 ( 1.746 0.000 9.289) 9.451 16.292 ( -0.792 0.000 7.671) 7.712 16.336 ( 7.974 0.000 -1.430) 8.101 16.486 ( 3.179 0.000 -1.798) 3.652 16.920 ( 0.993 0.000 0.576) 1.148 17.024 ( 2.977 0.000 -6.532) 7.178 17.090 ( -1.179 0.000 3.911) 4.085 17.105 ( 1.168 0.000 -1.211) 1.683 17.394 ( 0.147 0.000 -3.002) 3.006 17.445 ( 0.617 0.000 4.423) 4.466 17.479 ( -1.000 0.000 -2.620) 2.804 17.486 ( 0.248 0.000 0.032) 0.250 17.637 ( -4.369 0.000 6.035) 7.451 17.662 ( 1.316 0.000 -5.551) 5.705 17.723 ( -4.049 0.000 4.605) 6.132 17.747 ( 2.084 0.000 -6.653) 6.972 17.825 ( -0.145 0.000 2.471) 2.475 17.851 ( -1.499 0.000 -4.539) 4.780 17.920 ( 0.428 0.000 6.461) 6.476 18.029 ( -2.585 0.000 5.714) 6.272 18.129 ( -2.223 0.000 -1.251) 2.551 18.215 ( -0.196 0.000 -4.427) 4.432 18.320 ( -3.106 0.000 -3.751) 4.870 18.329 ( -1.232 0.000 -4.993) 5.143 18.545 ( -1.993 0.000 4.362) 4.796 18.604 ( 1.829 0.000 -3.351) 3.818 18.816 ( -2.240 0.000 -2.746) 3.544 18.840 ( -3.000 0.000 -0.028) 3.000 20.501 ( 17.218 0.000 -1.102) 17.253 20.503 ( 16.883 0.000 -1.273) 16.931 20.577 ( 18.688 0.000 -4.359) 19.190 20.591 ( 18.893 0.000 2.094) 19.009 20.632 ( 19.640 0.000 2.070) 19.749 21.040 ( 26.558 0.000 19.336) 32.851 21.966 ( -7.302 0.000 -0.289) 7.307 21.975 ( -7.181 0.000 -0.360) 7.190 21.983 ( -6.863 0.000 -0.383) 6.873 22.069 ( -4.666 0.000 0.110) 4.668 22.119 ( -4.428 0.000 0.035) 4.428 22.217 ( -0.431 0.000 0.433) 0.611 26.959 ( 1.248 0.000 -1.495) 1.947 26.990 ( -0.247 0.000 1.682) 1.700 27.005 ( 0.173 0.000 -1.734) 1.743 27.010 ( -1.030 0.000 0.903) 1.370 27.513 ( -0.680 0.000 -0.635) 0.930 27.543 ( -1.724 0.000 1.495) 2.282 27.557 ( -0.549 0.000 -1.239) 1.355 27.571 ( -1.585 0.000 0.803) 1.777 27.634 ( 1.489 0.000 -1.657) 2.228 27.665 ( 0.040 0.000 1.179) 1.180 27.848 ( -2.773 0.000 -0.381) 2.799 27.850 ( -2.238 0.000 -1.007) 2.454 36.566 ( 3.221 0.000 -0.892) 3.342 36.635 ( 2.605 0.000 2.699) 3.751 36.994 ( 0.296 0.000 -3.993) 4.004 37.118 ( 2.573 0.000 0.260) 2.586 37.123 ( 5.456 0.000 -3.566) 6.518 37.232 ( 1.629 0.000 -0.448) 1.690 37.244 ( 0.137 0.000 -7.704) 7.705 37.430 ( 7.271 0.000 0.473) 7.287 37.547 ( 5.289 0.000 -3.098) 6.130 37.592 ( 5.485 0.000 -3.920) 6.741 37.723 ( -1.335 0.000 1.685) 2.150 37.953 ( 2.177 0.000 -5.126) 5.569 38.071 ( 2.438 0.000 -0.657) 2.525 38.127 ( 7.528 0.000 -1.010) 7.596 38.142 ( 3.041 0.000 10.429) 10.863 38.249 ( 2.951 0.000 -7.174) 7.758 38.413 ( -3.301 0.000 14.269) 14.646 38.777 ( -5.995 0.000 17.423) 18.425 39.397 ( -35.102 0.000 -28.883) 45.457 39.773 ( -21.300 0.000 -11.805) 24.353 39.777 ( -16.661 0.000 -4.349) 17.219 40.015 ( -26.207 0.000 0.337) 26.209 40.030 ( -25.945 0.000 6.479) 26.742 40.386 ( -27.562 0.000 -0.551) 27.568 ======================= Grid point 139 (73/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 6.788 0.000 -13.724) 15.311 1.738 ( 15.993 0.000 -7.100) 17.498 1.958 ( 9.834 0.000 -2.559) 10.162 2.086 ( 3.455 0.000 -1.702) 3.851 2.283 ( 6.889 0.000 10.678) 12.707 2.375 ( 1.311 0.000 -8.153) 8.258 2.428 ( 2.865 0.000 -1.821) 3.395 2.431 ( -2.197 0.000 -8.198) 8.487 2.616 ( -2.101 0.000 5.134) 5.547 2.684 ( -2.672 0.000 -1.866) 3.259 2.849 ( 1.995 0.000 2.298) 3.043 2.973 ( -4.360 0.000 2.954) 5.267 3.042 ( -2.042 0.000 -6.331) 6.652 3.063 ( 1.806 0.000 -3.450) 3.894 3.310 ( 12.635 0.000 -7.704) 14.799 3.418 ( -3.175 0.000 -2.449) 4.009 3.560 ( -6.789 0.000 2.563) 7.256 3.561 ( 5.976 0.000 7.361) 9.481 3.648 ( -1.438 0.000 4.844) 5.053 3.722 ( -5.237 0.000 3.618) 6.365 3.939 ( 1.523 0.000 2.816) 3.201 3.960 ( -0.383 0.000 -7.170) 7.181 4.167 ( -3.302 0.000 11.591) 12.052 4.201 ( -1.827 0.000 3.280) 3.755 4.362 ( 1.970 0.000 -5.250) 5.607 4.533 ( 2.557 0.000 6.918) 7.375 4.593 ( 6.301 0.000 0.125) 6.302 4.638 ( -2.530 0.000 -5.663) 6.203 4.686 ( 5.813 0.000 2.162) 6.202 4.777 ( 10.478 0.000 -3.287) 10.982 4.799 ( 10.019 0.000 -2.434) 10.310 5.048 ( 6.171 0.000 -1.615) 6.379 5.059 ( 3.056 0.000 -0.639) 3.122 5.280 ( 4.493 0.000 -2.296) 5.045 5.306 ( -3.997 0.000 5.258) 6.605 5.362 ( 0.415 0.000 6.071) 6.085 5.450 ( 1.448 0.000 -0.951) 1.733 5.462 ( 10.600 0.000 -1.160) 10.663 5.566 ( 7.187 0.000 0.201) 7.190 5.690 ( 3.076 0.000 -1.674) 3.502 5.757 ( -0.179 0.000 0.157) 0.238 5.893 ( 0.899 0.000 -3.769) 3.875 5.953 ( 0.608 0.000 0.746) 0.963 6.028 ( 4.954 0.000 -3.541) 6.090 6.126 ( 2.660 0.000 0.567) 2.720 6.127 ( 3.395 0.000 7.749) 8.461 6.233 ( 0.155 0.000 -0.690) 0.707 6.370 ( 8.137 0.000 1.436) 8.263 6.507 ( 3.708 0.000 4.805) 6.069 6.509 ( -6.927 0.000 -3.186) 7.624 6.631 ( 9.540 0.000 2.399) 9.837 6.704 ( 1.203 0.000 2.409) 2.692 6.751 ( 8.722 0.000 2.873) 9.183 6.832 ( 9.479 0.000 -5.065) 10.748 6.946 ( 4.181 0.000 -0.122) 4.183 7.043 ( 4.130 0.000 -4.677) 6.240 7.186 ( 6.381 0.000 -2.447) 6.834 7.201 ( 1.591 0.000 2.095) 2.630 7.222 ( 7.208 0.000 4.084) 8.284 7.240 ( 7.627 0.000 0.193) 7.630 7.326 ( 8.366 0.000 -0.015) 8.366 7.360 ( 14.298 0.000 -0.576) 14.309 7.490 ( 9.651 0.000 1.176) 9.723 7.492 ( 4.295 0.000 -7.425) 8.578 7.694 ( 1.873 0.000 1.760) 2.570 7.737 ( -3.982 0.000 -5.175) 6.530 7.744 ( -4.363 0.000 7.751) 8.894 7.823 ( 7.699 0.000 -0.942) 7.756 7.899 ( 1.956 0.000 1.714) 2.600 7.906 ( -3.870 0.000 -4.918) 6.258 8.035 ( 4.306 0.000 1.669) 4.618 8.047 ( 0.762 0.000 0.729) 1.054 8.092 ( -1.045 0.000 2.334) 2.558 8.124 ( -1.962 0.000 3.073) 3.646 8.208 ( -2.066 0.000 -0.883) 2.247 8.231 ( 1.967 0.000 -0.982) 2.198 8.380 ( 0.411 0.000 6.870) 6.883 8.423 ( 7.187 0.000 -1.595) 7.362 8.428 ( 3.743 0.000 1.188) 3.927 8.481 ( 4.267 0.000 2.169) 4.787 8.560 ( -4.393 0.000 -1.370) 4.602 8.657 ( -0.645 0.000 -2.044) 2.143 8.685 ( -2.475 0.000 -1.020) 2.677 8.768 ( 2.458 0.000 -7.103) 7.517 8.796 ( -6.736 0.000 3.527) 7.604 8.931 ( -2.005 0.000 -3.331) 3.888 8.949 ( -1.093 0.000 0.946) 1.445 9.023 ( 0.344 0.000 -0.757) 0.832 9.033 ( -1.890 0.000 2.661) 3.264 9.045 ( -4.213 0.000 3.865) 5.717 9.116 ( -1.605 0.000 6.025) 6.235 9.144 ( 1.246 0.000 3.082) 3.324 9.222 ( -0.748 0.000 0.155) 0.764 9.320 ( -0.099 0.000 0.877) 0.883 9.393 ( -5.585 0.000 4.528) 7.190 9.518 ( -5.598 0.000 0.373) 5.610 9.611 ( -5.747 0.000 -1.490) 5.937 9.657 ( 2.639 0.000 1.624) 3.099 9.785 ( -3.772 0.000 -0.230) 3.779 9.826 ( -2.132 0.000 -1.395) 2.548 9.905 ( -2.273 0.000 -10.538) 10.781 9.916 ( -13.377 0.000 -3.937) 13.944 9.931 ( -2.601 0.000 11.240) 11.537 10.057 ( 1.040 0.000 0.136) 1.049 10.230 ( -18.204 0.000 -3.009) 18.451 10.291 ( -14.860 0.000 2.055) 15.002 10.425 ( -4.208 0.000 -3.259) 5.322 10.586 ( -12.968 0.000 -1.536) 13.059 10.665 ( -7.168 0.000 -1.971) 7.434 10.787 ( -3.965 0.000 12.424) 13.041 10.795 ( -3.601 0.000 -6.675) 7.584 11.110 ( -3.920 0.000 -5.792) 6.994 11.452 ( -3.938 0.000 0.921) 4.044 11.558 ( -2.926 0.000 0.295) 2.941 11.752 ( -4.911 0.000 -7.856) 9.265 12.111 ( -12.876 0.000 -5.636) 14.055 12.589 ( 7.274 0.000 6.655) 9.859 12.696 ( 4.819 0.000 -1.366) 5.009 12.733 ( 2.113 0.000 10.463) 10.674 13.037 ( 0.559 0.000 -8.536) 8.555 13.893 ( 3.515 0.000 -0.820) 3.610 13.995 ( -4.347 0.000 4.728) 6.423 14.037 ( 1.313 0.000 -6.151) 6.290 14.292 ( -7.180 0.000 4.118) 8.277 14.434 ( -1.498 0.000 7.088) 7.245 14.507 ( 1.320 0.000 -6.278) 6.416 14.556 ( -5.339 0.000 1.799) 5.634 14.639 ( -1.261 0.000 -6.980) 7.093 16.330 ( 1.430 0.000 9.971) 10.073 16.357 ( -0.025 0.000 9.330) 9.330 16.449 ( 5.579 0.000 -3.923) 6.821 16.507 ( 2.238 0.000 -5.459) 5.900 16.958 ( 1.025 0.000 3.428) 3.578 17.018 ( 2.561 0.000 -6.600) 7.080 17.098 ( -0.989 0.000 2.845) 3.012 17.112 ( 1.497 0.000 -3.609) 3.907 17.389 ( 0.460 0.000 -0.494) 0.675 17.430 ( -0.603 0.000 -4.534) 4.574 17.467 ( -2.081 0.000 1.710) 2.694 17.489 ( -0.102 0.000 3.831) 3.833 17.617 ( -3.235 0.000 7.145) 7.843 17.663 ( 4.408 0.000 -9.882) 10.820 17.685 ( -3.955 0.000 5.619) 6.871 17.722 ( 1.714 0.000 -7.690) 7.879 17.839 ( 0.786 0.000 2.821) 2.928 17.853 ( 0.328 0.000 3.990) 4.003 17.986 ( -0.128 0.000 8.439) 8.440 18.033 ( -1.241 0.000 3.969) 4.158 18.083 ( -1.081 0.000 -1.950) 2.229 18.161 ( -1.011 0.000 -5.677) 5.766 18.222 ( -2.772 0.000 -5.634) 6.279 18.258 ( -1.731 0.000 -5.301) 5.576 18.547 ( -1.613 0.000 4.844) 5.106 18.603 ( 1.369 0.000 -4.518) 4.721 18.767 ( -0.567 0.000 -2.375) 2.442 18.793 ( -2.023 0.000 0.351) 2.053 20.845 ( 18.985 0.000 -1.287) 19.029 20.847 ( 19.167 0.000 -1.212) 19.206 20.910 ( 19.082 0.000 -4.210) 19.541 20.994 ( 19.800 0.000 2.599) 19.970 21.044 ( 19.794 0.000 2.735) 19.982 21.591 ( 11.489 0.000 15.099) 18.973 21.785 ( -11.291 0.000 -0.041) 11.291 21.795 ( -11.236 0.000 0.059) 11.236 21.834 ( -6.926 0.000 2.788) 7.466 21.946 ( -8.076 0.000 -0.278) 8.081 22.005 ( -7.208 0.000 0.222) 7.211 22.202 ( -1.167 0.000 -0.836) 1.436 26.975 ( 1.499 0.000 -1.391) 2.045 26.993 ( -0.926 0.000 1.403) 1.680 26.995 ( 0.325 0.000 -1.790) 1.820 27.001 ( -0.609 0.000 1.418) 1.544 27.505 ( -0.137 0.000 0.343) 0.370 27.524 ( -1.138 0.000 0.847) 1.418 27.540 ( -0.023 0.000 -1.496) 1.496 27.547 ( -1.424 0.000 0.766) 1.617 27.660 ( 1.920 0.000 -0.327) 1.947 27.678 ( 0.450 0.000 0.859) 0.970 27.791 ( -2.712 0.000 -0.468) 2.752 27.798 ( -2.186 0.000 -0.985) 2.397 36.648 ( 5.115 0.000 1.848) 5.439 36.716 ( 3.088 0.000 3.689) 4.811 36.979 ( 0.748 0.000 -2.702) 2.803 37.118 ( -1.804 0.000 -8.944) 9.124 37.140 ( -0.666 0.000 -1.504) 1.645 37.230 ( 5.458 0.000 -3.823) 6.664 37.259 ( 0.637 0.000 0.664) 0.920 37.399 ( -3.985 0.000 -12.211) 12.845 37.676 ( 4.396 0.000 1.602) 4.679 37.727 ( 5.583 0.000 -5.200) 7.629 37.744 ( 5.393 0.000 2.123) 5.796 37.999 ( 11.377 0.000 -2.612) 11.673 38.146 ( 2.527 0.000 6.629) 7.094 38.289 ( 11.159 0.000 -2.729) 11.488 38.311 ( 4.135 0.000 -1.210) 4.309 38.326 ( 8.569 0.000 6.712) 10.885 38.486 ( 5.824 0.000 1.595) 6.039 38.653 ( -18.473 0.000 -12.140) 22.106 38.769 ( -7.422 0.000 12.996) 14.966 39.270 ( -19.460 0.000 -10.526) 22.125 39.381 ( -19.894 0.000 -5.447) 20.626 39.537 ( -24.396 0.000 0.246) 24.397 39.557 ( -27.127 0.000 5.752) 27.730 39.798 ( -30.122 0.000 -3.813) 30.362 ======================= Grid point 140 (74/84) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 8.388 0.000 -4.719) 9.624 1.869 ( -2.542 0.000 -3.406) 4.250 2.125 ( 8.763 0.000 -1.634) 8.914 2.169 ( 7.489 0.000 -0.255) 7.493 2.237 ( 0.622 0.000 -1.569) 1.688 2.302 ( -4.767 0.000 -0.179) 4.770 2.337 ( -4.244 0.000 -4.614) 6.269 2.419 ( -5.449 0.000 -2.076) 5.831 2.696 ( 3.185 0.000 0.031) 3.185 2.710 ( 0.593 0.000 5.821) 5.851 2.914 ( 0.957 0.000 6.738) 6.806 2.964 ( 1.567 0.000 -4.646) 4.903 2.980 ( 2.282 0.000 -0.112) 2.285 3.010 ( -2.371 0.000 -4.633) 5.204 3.315 ( -0.861 0.000 -4.259) 4.345 3.401 ( -11.307 0.000 4.651) 12.226 3.462 ( 5.811 0.000 0.016) 5.811 3.567 ( -5.114 0.000 -1.069) 5.224 3.803 ( 10.627 0.000 3.346) 11.141 3.808 ( 5.905 0.000 5.540) 8.097 3.944 ( 1.822 0.000 -6.285) 6.544 3.999 ( -1.904 0.000 3.610) 4.081 4.176 ( -4.639 0.000 8.607) 9.777 4.179 ( -2.279 0.000 -2.427) 3.329 4.317 ( 5.435 0.000 -3.090) 6.252 4.476 ( -7.443 0.000 -3.615) 8.274 4.627 ( 1.703 0.000 4.562) 4.870 4.704 ( -0.416 0.000 -5.907) 5.922 4.806 ( 9.659 0.000 5.691) 11.211 4.954 ( 4.436 0.000 -2.443) 5.064 5.004 ( 10.612 0.000 1.589) 10.730 5.057 ( -3.145 0.000 -0.734) 3.230 5.086 ( -0.843 0.000 0.659) 1.070 5.189 ( -6.154 0.000 -2.506) 6.645 5.388 ( 3.795 0.000 2.322) 4.449 5.432 ( 5.483 0.000 3.628) 6.575 5.433 ( -0.516 0.000 -1.287) 1.386 5.602 ( -5.753 0.000 -3.602) 6.787 5.617 ( 7.016 0.000 -4.814) 8.508 5.666 ( -3.276 0.000 4.312) 5.416 5.851 ( 4.738 0.000 -0.976) 4.837 5.868 ( -0.093 0.000 -1.569) 1.572 5.982 ( -0.217 0.000 4.182) 4.188 6.007 ( -0.075 0.000 -4.708) 4.709 6.155 ( 2.199 0.000 -1.393) 2.603 6.195 ( -2.431 0.000 3.817) 4.525 6.343 ( 8.805 0.000 3.146) 9.350 6.412 ( -1.510 0.000 2.578) 2.988 6.481 ( 2.174 0.000 0.520) 2.236 6.650 ( -8.461 0.000 -3.866) 9.302 6.665 ( 6.057 0.000 2.738) 6.647 6.763 ( 6.628 0.000 3.729) 7.606 6.808 ( -5.658 0.000 -3.010) 6.409 6.866 ( -0.373 0.000 -1.988) 2.023 7.021 ( 7.547 0.000 3.807) 8.453 7.153 ( 0.437 0.000 -8.155) 8.167 7.254 ( 9.951 0.000 -0.778) 9.981 7.274 ( 1.298 0.000 6.509) 6.637 7.318 ( -0.448 0.000 0.011) 0.448 7.323 ( 2.606 0.000 -3.059) 4.018 7.474 ( 7.062 0.000 -4.891) 8.590 7.543 ( 0.037 0.000 -2.881) 2.881 7.555 ( 5.038 0.000 -3.153) 5.943 7.622 ( -1.285 0.000 2.111) 2.471 7.709 ( 6.453 0.000 -1.245) 6.572 7.744 ( -1.089 0.000 1.916) 2.204 7.774 ( 6.312 0.000 2.541) 6.804 7.838 ( 3.704 0.000 -2.375) 4.400 7.900 ( -3.755 0.000 6.849) 7.811 7.939 ( -4.014 0.000 -3.890) 5.590 7.996 ( 3.785 0.000 2.938) 4.791 7.997 ( -3.774 0.000 3.758) 5.326 8.159 ( -3.037 0.000 -0.716) 3.120 8.175 ( -0.096 0.000 0.298) 0.313 8.198 ( 5.226 0.000 1.657) 5.483 8.317 ( -3.163 0.000 -4.792) 5.741 8.378 ( 8.488 0.000 -5.219) 9.965 8.406 ( -2.450 0.000 8.773) 9.109 8.497 ( 3.989 0.000 -0.918) 4.093 8.522 ( -4.677 0.000 1.407) 4.884 8.524 ( -0.319 0.000 5.450) 5.459 8.624 ( -2.844 0.000 -3.759) 4.713 8.703 ( 0.942 0.000 2.933) 3.081 8.717 ( 0.728 0.000 -5.885) 5.930 8.764 ( -1.105 0.000 3.704) 3.866 8.812 ( -2.584 0.000 -8.522) 8.905 8.911 ( -2.933 0.000 5.450) 6.189 8.964 ( -0.749 0.000 -5.934) 5.981 9.082 ( 4.340 0.000 0.195) 4.344 9.096 ( 2.749 0.000 1.761) 3.265 9.164 ( -0.758 0.000 1.970) 2.111 9.169 ( -0.435 0.000 -0.427) 0.610 9.219 ( -1.784 0.000 5.315) 5.607 9.222 ( -4.770 0.000 0.229) 4.775 9.430 ( -2.320 0.000 3.825) 4.474 9.471 ( 1.011 0.000 4.959) 5.061 9.562 ( 2.585 0.000 -0.546) 2.642 9.624 ( -2.067 0.000 -3.197) 3.807 9.642 ( -4.522 0.000 -1.236) 4.688 9.691 ( -7.014 0.000 -6.484) 9.552 9.819 ( 1.732 0.000 0.427) 1.784 9.868 ( 3.849 0.000 -4.452) 5.885 9.916 ( -4.952 0.000 0.927) 5.038 9.983 ( -12.261 0.000 3.238) 12.681 10.081 ( -2.230 0.000 4.362) 4.899 10.094 ( -3.578 0.000 2.877) 4.591 10.307 ( 0.720 0.000 -2.015) 2.140 10.397 ( -4.543 0.000 -3.342) 5.640 10.602 ( -2.947 0.000 5.133) 5.919 10.648 ( -3.040 0.000 -8.409) 8.941 10.868 ( 1.420 0.000 10.376) 10.472 10.984 ( -2.358 0.000 -8.871) 9.179 11.468 ( 1.359 0.000 6.228) 6.375 11.586 ( 3.608 0.000 5.354) 6.456 11.588 ( -4.397 0.000 -8.509) 9.578 11.793 ( -11.882 0.000 -7.575) 14.091 12.759 ( 2.862 0.000 6.242) 6.866 12.772 ( 4.329 0.000 -3.966) 5.871 12.837 ( 0.465 0.000 11.662) 11.672 12.956 ( -1.501 0.000 -9.476) 9.594 13.933 ( 0.376 0.000 1.166) 1.225 13.954 ( -2.016 0.000 0.906) 2.210 14.071 ( 7.748 0.000 -7.550) 10.818 14.179 ( -8.370 0.000 5.494) 10.012 14.483 ( -0.126 0.000 7.917) 7.918 14.486 ( 2.250 0.000 -6.665) 7.034 14.495 ( -3.242 0.000 3.771) 4.973 14.557 ( -1.279 0.000 -6.827) 6.946 16.424 ( -0.340 0.000 9.818) 9.823 16.435 ( -0.143 0.000 9.423) 9.424 16.475 ( 2.319 0.000 -8.263) 8.583 16.489 ( 1.576 0.000 -7.623) 7.785 17.004 ( -0.326 0.000 5.310) 5.320 17.021 ( 2.384 0.000 -5.305) 5.816 17.098 ( -1.137 0.000 2.396) 2.653 17.103 ( 0.950 0.000 -3.851) 3.966 17.385 ( -1.517 0.000 2.678) 3.078 17.392 ( 0.674 0.000 -4.500) 4.550 17.468 ( 0.964 0.000 0.812) 1.261 17.494 ( -1.552 0.000 1.540) 2.186 17.629 ( -2.304 0.000 8.179) 8.498 17.653 ( 2.909 0.000 -9.480) 9.916 17.672 ( -2.621 0.000 6.838) 7.323 17.692 ( 1.879 0.000 -7.970) 8.188 17.896 ( 1.806 0.000 1.820) 2.565 17.897 ( 0.342 0.000 4.078) 4.092 18.038 ( -0.970 0.000 5.684) 5.766 18.045 ( 0.379 0.000 1.162) 1.222 18.065 ( -0.810 0.000 2.165) 2.312 18.089 ( -1.140 0.000 -5.624) 5.738 18.144 ( 0.386 0.000 -4.602) 4.618 18.181 ( -2.139 0.000 -3.765) 4.330 18.562 ( -1.189 0.000 5.250) 5.383 18.585 ( 1.049 0.000 -5.297) 5.400 18.754 ( 0.719 0.000 -1.401) 1.575 18.766 ( -1.343 0.000 0.800) 1.563 21.194 ( 17.274 0.000 -0.459) 17.280 21.203 ( 17.933 0.000 -0.761) 17.949 21.235 ( 16.950 0.000 -2.443) 17.125 21.357 ( 14.024 0.000 1.478) 14.101 21.384 ( 10.065 0.000 0.115) 10.065 21.528 ( -14.585 0.000 0.705) 14.602 21.539 ( -13.014 0.000 1.304) 13.079 21.557 ( -12.045 0.000 1.624) 12.154 21.765 ( -8.677 0.000 -0.301) 8.682 21.799 ( -8.307 0.000 -1.502) 8.442 22.010 ( 5.095 0.000 10.338) 11.526 22.147 ( -2.737 0.000 -4.324) 5.117 26.986 ( 0.738 0.000 -1.828) 1.972 26.987 ( -0.848 0.000 1.528) 1.748 26.994 ( 1.121 0.000 -1.354) 1.758 27.002 ( -0.833 0.000 1.596) 1.800 27.508 ( 0.042 0.000 0.513) 0.515 27.514 ( -0.291 0.000 -0.092) 0.305 27.531 ( 0.462 0.000 -1.664) 1.727 27.532 ( -1.036 0.000 1.526) 1.845 27.698 ( 1.937 0.000 -0.032) 1.937 27.698 ( 0.924 0.000 0.812) 1.231 27.741 ( -1.880 0.000 -0.170) 1.888 27.751 ( -1.891 0.000 -0.888) 2.089 36.801 ( 7.360 0.000 6.412) 9.761 36.815 ( 3.263 0.000 5.523) 6.415 36.928 ( -2.587 0.000 -6.770) 7.248 37.025 ( -8.072 0.000 -7.330) 10.903 37.073 ( 1.972 0.000 0.690) 2.089 37.169 ( -4.196 0.000 -8.443) 9.428 37.289 ( 2.750 0.000 -2.527) 3.735 37.298 ( 0.153 0.000 0.261) 0.303 37.701 ( -1.582 0.000 4.618) 4.882 37.716 ( 1.563 0.000 -7.003) 7.175 37.991 ( 16.070 0.000 -0.217) 16.071 38.229 ( 9.412 0.000 -7.579) 12.084 38.241 ( -0.629 0.000 9.383) 9.404 38.301 ( -16.110 0.000 3.984) 16.595 38.478 ( 16.232 0.000 -2.972) 16.502 38.546 ( 17.088 0.000 -2.831) 17.321 38.564 ( 5.606 0.000 9.465) 11.001 38.714 ( 13.062 0.000 -1.234) 13.120 38.746 ( 0.765 0.000 5.019) 5.077 38.937 ( -20.478 0.000 -5.629) 21.238 38.948 ( -4.821 0.000 -3.601) 6.017 39.098 ( -25.255 0.000 6.019) 25.962 39.102 ( -18.816 0.000 2.441) 18.973 39.232 ( -20.294 0.000 -8.617) 22.047 ======================= Grid point 145 (75/84) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -0.258 11.004 -16.057) 19.468 1.387 ( 0.258 11.004 16.057) 19.468 1.731 ( 1.034 15.958 -19.263) 25.036 1.731 ( -1.034 15.958 19.263) 25.036 1.979 ( -3.708 -2.393 -15.369) 15.990 1.979 ( 3.708 -2.393 15.369) 15.990 2.275 ( -0.709 -1.672 -3.485) 3.930 2.275 ( 0.709 -1.672 3.485) 3.930 2.571 ( 3.417 -7.332 -2.621) 8.503 2.571 ( -3.417 -7.332 2.621) 8.503 2.996 ( -4.052 1.981 -3.800) 5.898 2.996 ( 4.052 1.981 3.800) 5.898 3.360 ( -3.443 4.411 -2.075) 5.968 3.360 ( 3.443 4.411 2.075) 5.968 3.422 ( -1.109 4.449 -5.548) 7.198 3.422 ( 1.109 4.449 5.548) 7.198 3.565 ( -3.482 -0.163 -9.597) 10.210 3.565 ( 3.482 -0.163 9.597) 10.210 3.752 ( -3.140 -1.347 -5.988) 6.894 3.752 ( 3.140 -1.347 5.988) 6.894 3.858 ( -6.488 5.229 -3.630) 9.089 3.858 ( 6.488 5.229 3.630) 9.089 4.139 ( -6.180 2.723 -1.286) 6.875 4.139 ( 6.180 2.723 1.286) 6.875 4.260 ( 2.100 0.950 -8.048) 8.372 4.260 ( -2.100 0.950 8.048) 8.372 4.372 ( -0.657 -9.879 -3.984) 10.672 4.372 ( 0.657 -9.879 3.984) 10.672 4.555 ( -5.194 -1.381 -4.606) 7.079 4.555 ( 5.194 -1.381 4.606) 7.079 4.664 ( 2.779 -4.804 -9.228) 10.769 4.664 ( -2.779 -4.804 9.228) 10.769 4.954 ( 0.551 -4.436 -0.970) 4.574 4.954 ( -0.551 -4.436 0.970) 4.574 5.054 ( 1.173 -1.870 -2.527) 3.356 5.054 ( -1.173 -1.870 2.527) 3.356 5.233 ( -0.178 0.272 -7.660) 7.667 5.233 ( 0.178 0.272 7.660) 7.667 5.505 ( -2.346 -1.734 -5.522) 6.245 5.505 ( 2.346 -1.734 5.522) 6.245 5.744 ( 2.794 4.743 -1.170) 5.627 5.744 ( -2.794 4.743 1.170) 5.627 5.810 ( 2.992 0.006 -1.195) 3.222 5.810 ( -2.992 0.006 1.195) 3.222 5.952 ( 0.415 1.184 -3.600) 3.812 5.952 ( -0.415 1.184 3.600) 3.812 6.035 ( 0.158 0.949 -2.132) 2.339 6.035 ( -0.158 0.949 2.132) 2.339 6.216 ( -0.964 -0.286 -11.681) 11.724 6.216 ( 0.964 -0.286 11.681) 11.724 6.383 ( -1.134 -2.187 -3.623) 4.381 6.383 ( 1.134 -2.187 3.623) 4.381 6.509 ( 1.600 2.820 -1.325) 3.502 6.509 ( -1.600 2.820 1.325) 3.502 6.768 ( 0.291 1.492 -5.435) 5.644 6.768 ( -0.291 1.492 5.435) 5.644 6.985 ( -0.346 -5.488 -2.595) 6.081 6.985 ( 0.346 -5.488 2.595) 6.081 7.043 ( -1.507 0.152 -1.973) 2.487 7.043 ( 1.507 0.152 1.973) 2.487 7.190 ( 2.428 -0.538 -3.211) 4.062 7.190 ( -2.428 -0.538 3.211) 4.062 7.385 ( 3.919 6.393 -5.203) 9.127 7.385 ( -3.919 6.393 5.203) 9.127 7.472 ( -2.560 -1.182 -2.276) 3.624 7.472 ( 2.560 -1.182 2.276) 3.624 7.671 ( -0.054 1.552 -4.146) 4.427 7.671 ( 0.054 1.552 4.146) 4.427 7.771 ( -0.677 -6.473 -0.949) 6.577 7.771 ( 0.677 -6.473 0.949) 6.577 7.963 ( 0.272 2.270 -4.172) 4.757 7.963 ( -0.272 2.270 4.172) 4.757 8.040 ( 1.655 -4.200 -2.083) 4.971 8.040 ( -1.655 -4.200 2.083) 4.971 8.118 ( -2.428 -2.047 -2.486) 4.033 8.118 ( 2.428 -2.047 2.486) 4.033 8.311 ( 0.616 5.109 -5.769) 7.730 8.311 ( -0.616 5.109 5.769) 7.730 8.453 ( -2.049 -2.761 -4.269) 5.481 8.453 ( 2.049 -2.761 4.269) 5.481 8.620 ( -2.611 -1.956 -2.612) 4.179 8.620 ( 2.611 -1.956 2.612) 4.179 8.669 ( 0.487 0.929 -5.069) 5.176 8.669 ( -0.487 0.929 5.069) 5.176 8.862 ( -0.401 -2.985 -3.723) 4.789 8.862 ( 0.401 -2.985 3.723) 4.789 9.042 ( -0.161 -3.105 -3.296) 4.531 9.042 ( 0.161 -3.105 3.296) 4.531 9.164 ( 0.443 1.323 -1.258) 1.879 9.164 ( -0.443 1.323 1.258) 1.879 9.205 ( -0.974 4.031 -0.930) 4.250 9.205 ( 0.974 4.031 0.930) 4.250 9.459 ( 0.587 7.422 -0.406) 7.456 9.459 ( -0.587 7.422 0.406) 7.456 9.586 ( 0.636 -2.375 -3.107) 3.962 9.586 ( -0.636 -2.375 3.107) 3.962 9.727 ( -1.183 0.550 -2.670) 2.972 9.727 ( 1.183 0.550 2.670) 2.972 9.978 ( 1.125 -4.096 -2.158) 4.764 9.978 ( -1.125 -4.096 2.158) 4.764 10.087 ( -1.132 4.278 -2.945) 5.316 10.087 ( 1.132 4.278 2.945) 5.316 10.305 ( -0.482 -0.704 -5.265) 5.333 10.305 ( 0.482 -0.704 5.265) 5.333 10.709 ( -3.836 2.251 -3.647) 5.752 10.709 ( 3.836 2.251 3.647) 5.752 10.849 ( -2.247 -2.019 -2.041) 3.645 10.849 ( 2.247 -2.019 2.041) 3.645 11.239 ( 3.163 4.548 -6.811) 8.780 11.239 ( -3.163 4.548 6.811) 8.780 11.323 ( -2.423 3.413 -2.847) 5.063 11.323 ( 2.423 3.413 2.847) 5.063 11.848 ( 6.292 -10.326 -7.459) 14.207 11.848 ( -6.292 -10.326 7.459) 14.207 12.172 ( 4.042 2.268 -6.822) 8.247 12.172 ( -4.042 2.268 6.822) 8.247 12.372 ( -5.531 -0.981 -3.965) 6.875 12.372 ( 5.531 -0.981 3.965) 6.875 12.720 ( -13.890 -7.380 0.889) 15.754 12.720 ( 13.890 -7.380 -0.889) 15.754 14.092 ( 0.529 7.884 -9.146) 12.087 14.092 ( -0.529 7.884 9.146) 12.087 14.318 ( 2.178 -5.622 -1.763) 6.281 14.318 ( -2.178 -5.622 1.763) 6.281 14.564 ( -0.374 5.423 -3.395) 6.409 14.564 ( 0.374 5.423 3.395) 6.409 14.778 ( 1.616 -1.417 -4.289) 4.797 14.778 ( -1.616 -1.417 4.289) 4.797 16.127 ( 4.097 2.417 -4.968) 6.878 16.127 ( -4.097 2.417 4.968) 6.878 16.275 ( 4.822 -4.335 -3.480) 7.359 16.275 ( -4.822 -4.335 3.480) 7.359 16.906 ( -0.562 -2.140 -2.461) 3.309 16.906 ( 0.562 -2.140 2.461) 3.309 17.208 ( 1.343 9.677 -6.261) 11.604 17.208 ( -1.343 9.677 6.261) 11.604 17.411 ( 0.837 1.247 -1.819) 2.359 17.411 ( -0.837 1.247 1.819) 2.359 17.505 ( -2.030 0.999 -0.606) 2.342 17.505 ( 2.030 0.999 0.606) 2.342 17.692 ( 1.379 -3.462 -3.824) 5.339 17.692 ( -1.379 -3.462 3.824) 5.339 17.754 ( 0.995 0.755 -0.926) 1.554 17.754 ( -0.995 0.755 0.926) 1.554 17.836 ( -1.214 1.126 -0.264) 1.677 17.836 ( 1.214 1.126 0.264) 1.677 17.998 ( 1.313 -4.704 -6.549) 8.169 17.998 ( -1.313 -4.704 6.549) 8.169 18.248 ( 0.848 2.479 -0.809) 2.742 18.248 ( -0.848 2.479 0.809) 2.742 18.386 ( 0.104 -3.327 -1.513) 3.656 18.386 ( -0.104 -3.327 1.513) 3.656 18.611 ( 1.072 4.270 -2.470) 5.048 18.611 ( -1.072 4.270 2.470) 5.048 18.890 ( -0.115 -3.933 -0.693) 3.995 18.890 ( 0.115 -3.933 0.693) 3.995 20.104 ( -0.944 0.034 -0.013) 0.944 20.104 ( 0.944 0.034 0.013) 0.944 20.141 ( -0.291 -0.084 -0.009) 0.303 20.141 ( 0.291 -0.084 0.009) 0.303 20.172 ( -0.112 0.061 -0.007) 0.127 20.172 ( 0.112 0.061 0.007) 0.127 22.116 ( -0.067 0.320 -0.225) 0.396 22.116 ( 0.067 0.320 0.225) 0.396 22.129 ( -0.707 -0.266 -0.520) 0.917 22.129 ( 0.707 -0.266 0.520) 0.917 22.206 ( -0.516 -0.089 -0.210) 0.564 22.206 ( 0.516 -0.089 0.210) 0.564 26.964 ( 0.092 0.158 -1.465) 1.476 26.964 ( -0.092 0.158 1.465) 1.476 27.021 ( 0.196 -0.109 -0.848) 0.877 27.021 ( -0.196 -0.109 0.848) 0.877 27.562 ( 0.522 0.457 -2.639) 2.728 27.562 ( -0.522 0.457 2.639) 2.728 27.586 ( 0.177 -0.390 -1.123) 1.202 27.586 ( -0.177 -0.390 1.123) 1.202 27.646 ( 0.157 -0.141 -1.381) 1.397 27.646 ( -0.157 -0.141 1.381) 1.397 27.916 ( 0.039 0.024 -0.157) 0.164 27.916 ( -0.039 0.024 0.157) 0.164 36.541 ( -0.101 0.290 -1.586) 1.616 36.541 ( 0.101 0.290 1.586) 1.616 37.006 ( 0.500 -2.214 -0.391) 2.304 37.006 ( -0.500 -2.214 0.391) 2.304 37.135 ( -1.825 1.473 -3.968) 4.609 37.135 ( 1.825 1.473 3.968) 4.609 37.198 ( -0.771 -1.258 -2.375) 2.796 37.198 ( 0.771 -1.258 2.375) 2.796 37.573 ( -0.397 -0.401 -0.247) 0.616 37.573 ( 0.397 -0.401 0.247) 0.616 37.870 ( -0.780 3.454 -3.644) 5.081 37.870 ( 0.780 3.454 3.644) 5.081 37.995 ( 1.314 4.151 -2.898) 5.230 37.995 ( -1.314 4.151 2.898) 5.230 38.216 ( -0.556 2.113 -6.908) 7.245 38.216 ( 0.556 2.113 6.908) 7.245 38.544 ( -0.633 -2.211 -16.637) 16.795 38.544 ( 0.633 -2.211 16.637) 16.795 40.227 ( -0.352 2.323 -4.162) 4.779 40.227 ( 0.352 2.323 4.162) 4.779 40.441 ( -1.443 -4.500 -3.602) 5.942 40.441 ( 1.443 -4.500 3.602) 5.942 40.958 ( 2.909 -2.692 -2.505) 4.689 40.958 ( -2.909 -2.692 2.505) 4.689 ======================= Grid point 147 (76/84) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 12.093 5.840 -18.095) 22.534 1.591 ( 11.539 7.471 -16.325) 21.342 1.671 ( 9.527 1.422 3.729) 10.329 1.743 ( 0.619 6.008 -12.565) 13.941 1.960 ( 4.087 13.045 10.269) 17.098 2.173 ( 1.429 9.972 7.508) 12.564 2.279 ( 4.860 -5.768 -1.724) 7.737 2.394 ( 6.476 -4.115 5.289) 9.319 2.546 ( 2.685 -3.493 0.496) 4.433 2.629 ( 1.741 -6.781 3.828) 7.979 2.960 ( 2.710 6.002 2.526) 7.053 3.132 ( 3.847 3.252 -2.003) 5.420 3.233 ( -7.840 4.432 -6.863) 11.323 3.251 ( -3.901 3.578 -4.225) 6.772 3.351 ( -8.513 1.654 -3.283) 9.273 3.400 ( -2.472 0.112 1.981) 3.169 3.454 ( -0.530 -4.376 -5.566) 7.100 3.656 ( -5.304 -0.213 -1.658) 5.561 3.723 ( 1.721 2.847 -1.541) 3.666 3.821 ( 10.068 6.533 11.545) 16.653 3.891 ( 0.695 -1.835 2.728) 3.360 4.012 ( 2.665 6.913 6.579) 9.908 4.071 ( 4.702 5.939 -3.677) 8.421 4.145 ( -3.226 -5.732 0.558) 6.601 4.264 ( 0.739 -3.324 -4.219) 5.422 4.311 ( -0.172 -2.880 -0.891) 3.019 4.402 ( -2.561 -8.332 3.470) 9.382 4.430 ( 3.303 1.574 -3.757) 5.244 4.466 ( 10.701 -7.159 -4.458) 13.625 4.625 ( 2.429 -2.551 -2.845) 4.528 4.702 ( 4.432 1.048 3.738) 5.892 4.746 ( 6.047 -2.151 -1.903) 6.694 4.972 ( 1.052 0.344 4.642) 4.772 5.047 ( 0.494 -4.865 8.765) 10.036 5.060 ( 6.288 -3.143 -0.583) 7.054 5.111 ( 4.085 -1.906 -1.089) 4.638 5.207 ( 4.034 -1.498 -4.859) 6.491 5.298 ( 1.773 -5.211 -0.579) 5.534 5.437 ( -0.146 3.505 0.070) 3.508 5.578 ( 2.333 -1.760 1.823) 3.444 5.726 ( -1.172 1.760 1.597) 2.650 5.785 ( 2.867 1.179 0.756) 3.190 5.863 ( 6.419 3.057 -1.683) 7.307 5.922 ( 4.743 -2.863 5.017) 7.474 5.948 ( 0.481 5.800 -0.320) 5.829 5.985 ( 3.472 0.733 -1.120) 3.721 6.028 ( 4.878 1.710 -2.173) 5.607 6.125 ( 8.388 3.338 -3.186) 9.573 6.234 ( 6.520 -1.933 0.645) 6.831 6.351 ( 2.371 -1.431 -1.848) 3.329 6.413 ( 7.839 -5.117 8.263) 12.486 6.506 ( 1.543 10.929 5.574) 12.365 6.542 ( 10.456 -3.197 -1.299) 11.011 6.598 ( 6.412 -0.521 -1.379) 6.579 6.711 ( -0.871 1.210 -0.986) 1.788 6.839 ( 3.249 0.476 -0.578) 3.334 6.926 ( -2.434 1.507 -2.472) 3.782 6.966 ( 1.447 2.941 -2.820) 4.324 7.037 ( -0.813 -3.968 1.283) 4.249 7.127 ( 2.481 -3.424 5.437) 6.888 7.184 ( 1.216 -4.693 0.245) 4.854 7.240 ( -0.989 -5.147 1.844) 5.556 7.347 ( -0.393 1.122 2.001) 2.327 7.400 ( 0.216 1.040 -0.936) 1.416 7.458 ( 6.764 5.433 -1.980) 8.899 7.612 ( 3.202 -2.285 -5.488) 6.752 7.630 ( 5.075 4.823 2.720) 7.511 7.729 ( 4.905 0.671 -2.165) 5.403 7.803 ( 0.915 -3.071 4.703) 5.691 7.858 ( 2.922 -2.955 4.884) 6.413 7.916 ( -0.611 -2.158 -2.352) 3.250 7.948 ( -1.881 -3.070 -1.616) 3.946 8.028 ( 1.087 -1.065 -0.726) 1.686 8.069 ( 4.102 -2.098 -0.775) 4.672 8.117 ( 0.885 -1.737 0.756) 2.091 8.221 ( 2.797 -0.815 4.811) 5.625 8.268 ( -0.201 3.734 1.278) 3.952 8.342 ( -0.695 -2.318 -1.496) 2.845 8.374 ( -1.335 2.968 -3.778) 4.986 8.516 ( 0.519 1.193 2.767) 3.057 8.589 ( 0.802 -0.747 -2.458) 2.691 8.616 ( -1.407 -1.644 0.526) 2.227 8.707 ( 3.804 -0.751 -1.041) 4.015 8.716 ( 0.561 -1.578 6.868) 7.069 8.818 ( -1.965 -1.267 0.923) 2.513 8.921 ( 1.254 -3.969 2.649) 4.933 8.994 ( -2.934 0.219 -0.265) 2.954 9.043 ( -1.620 -3.417 0.583) 3.826 9.118 ( -3.504 2.084 -0.338) 4.091 9.152 ( 0.388 1.878 -3.311) 3.826 9.198 ( -0.786 1.794 2.799) 3.416 9.223 ( -0.940 2.697 0.833) 2.975 9.417 ( -3.473 4.970 0.610) 6.094 9.451 ( -1.820 8.025 0.037) 8.229 9.550 ( -1.865 -2.456 -2.106) 3.734 9.584 ( -2.176 -0.372 4.021) 4.587 9.663 ( -2.140 0.474 -4.397) 4.913 9.741 ( -1.198 0.281 0.620) 1.378 9.922 ( -4.672 -1.922 1.938) 5.411 9.983 ( -3.702 -0.627 1.120) 3.918 10.012 ( -1.094 0.954 -4.390) 4.624 10.117 ( 0.200 2.802 -1.654) 3.260 10.220 ( -3.197 -0.533 -6.070) 6.881 10.322 ( -2.643 -0.678 3.375) 4.340 10.579 ( -6.482 5.135 -1.024) 8.332 10.713 ( -7.572 -1.247 0.418) 7.685 10.765 ( -4.378 -2.918 3.377) 6.252 10.876 ( -3.094 -4.590 3.583) 6.594 11.088 ( -13.129 1.979 -1.762) 13.393 11.163 ( -9.579 8.509 -1.053) 12.856 11.215 ( -1.149 2.913 -5.936) 6.711 11.294 ( -6.029 8.338 0.714) 10.314 11.725 ( -11.257 -9.347 5.253) 15.546 11.843 ( -2.088 -12.935 -7.833) 15.265 12.167 ( -8.553 -1.129 1.261) 8.719 12.190 ( -3.427 0.504 -2.944) 4.546 12.266 ( 5.164 0.269 2.490) 5.739 12.402 ( 1.455 -7.037 0.353) 7.195 12.647 ( 6.523 6.616 -2.266) 9.563 12.949 ( 10.706 -9.054 -5.480) 15.054 13.988 ( -3.767 7.741 -5.961) 10.472 14.107 ( -5.460 4.895 8.226) 11.020 14.230 ( -6.554 -2.003 3.041) 7.498 14.340 ( -1.097 -6.666 1.142) 6.851 14.504 ( -2.628 5.533 -0.440) 6.141 14.593 ( -0.336 3.748 0.520) 3.799 14.747 ( -2.992 -1.305 -0.271) 3.275 14.755 ( -1.081 -1.092 -3.068) 3.431 16.139 ( -0.252 1.642 7.509) 7.690 16.213 ( 6.733 1.934 -1.517) 7.167 16.244 ( -1.638 -2.434 5.262) 6.025 16.365 ( 5.848 -4.618 -1.403) 7.582 16.891 ( 0.566 -0.558 -0.934) 1.227 16.951 ( 1.522 -3.581 3.059) 4.950 17.158 ( -0.240 8.604 -6.575) 10.831 17.222 ( -1.265 8.111 1.908) 8.428 17.394 ( -0.598 -1.763 -2.685) 3.268 17.428 ( 1.404 0.094 -0.291) 1.437 17.472 ( -1.151 1.603 1.141) 2.279 17.541 ( 0.799 3.749 0.231) 3.840 17.656 ( -1.908 -3.593 0.397) 4.088 17.687 ( -2.523 -0.818 2.036) 3.344 17.751 ( 0.127 -1.006 0.043) 1.015 17.765 ( 1.377 0.661 -2.442) 2.880 17.810 ( -2.044 1.124 1.647) 2.855 17.861 ( 0.210 -0.321 2.623) 2.651 17.931 ( -2.231 -2.069 -4.102) 5.107 18.010 ( -2.430 -3.837 4.826) 6.627 18.207 ( -2.443 2.839 -0.140) 3.748 18.257 ( 0.350 1.984 -2.262) 3.029 18.357 ( -0.843 -3.249 -3.313) 4.717 18.368 ( -1.973 -2.762 -0.935) 3.521 18.586 ( -1.715 3.723 1.252) 4.286 18.626 ( 0.456 3.365 -0.434) 3.423 18.851 ( -2.333 -3.447 -1.601) 4.460 18.870 ( -2.190 -3.280 -0.344) 3.959 20.223 ( 11.820 0.308 -0.458) 11.832 20.234 ( 11.151 -0.154 -0.301) 11.156 20.272 ( 10.916 -0.138 -0.022) 10.917 20.283 ( 12.795 -0.554 -1.966) 12.957 20.309 ( 14.575 1.433 1.549) 14.727 20.381 ( 21.804 -1.990 5.809) 22.652 22.076 ( -3.744 0.155 -0.312) 3.760 22.081 ( -3.524 0.011 -0.711) 3.594 22.089 ( -3.268 0.437 -0.131) 3.299 22.119 ( -2.176 -0.851 0.241) 2.349 22.187 ( -1.543 0.686 0.184) 1.699 22.212 ( -0.177 -0.501 0.543) 0.759 26.957 ( 0.483 0.313 -1.413) 1.526 26.974 ( 0.056 -0.411 0.933) 1.021 27.015 ( -0.147 0.133 -0.350) 0.403 27.022 ( -0.309 0.035 0.373) 0.486 27.542 ( -0.548 0.492 -1.843) 1.985 27.565 ( -1.414 0.423 2.417) 2.832 27.570 ( -0.768 -0.616 -0.895) 1.331 27.586 ( -0.839 -0.277 0.793) 1.187 27.636 ( 0.413 0.277 -1.940) 2.003 27.652 ( -0.103 -0.438 0.959) 1.059 27.896 ( -1.656 0.042 -0.604) 1.763 27.897 ( -1.820 0.008 -0.215) 1.833 36.541 ( 1.453 0.848 -1.427) 2.206 36.570 ( 1.531 -0.409 1.588) 2.244 37.000 ( 0.473 -1.463 -1.291) 2.008 37.034 ( 2.787 -2.179 -1.281) 3.762 37.110 ( 2.097 2.315 -2.917) 4.274 37.179 ( 1.180 -2.594 -2.687) 3.917 37.237 ( 3.836 0.330 2.558) 4.622 37.260 ( 4.752 0.454 2.517) 5.397 37.533 ( 0.230 -0.754 -7.577) 7.618 37.557 ( 1.309 -1.356 -6.618) 6.881 37.849 ( 0.764 6.084 0.012) 6.132 37.917 ( 2.670 0.836 -0.169) 2.803 38.021 ( 1.561 4.041 0.788) 4.403 38.043 ( 1.859 3.175 6.246) 7.249 38.177 ( -0.446 6.896 0.542) 6.932 38.299 ( -1.087 -2.863 13.025) 13.381 38.383 ( -1.996 2.335 -14.411) 14.735 38.663 ( -2.273 -5.785 15.542) 16.739 40.037 ( -14.598 0.888 -8.112) 16.724 40.136 ( -11.512 2.565 -1.250) 11.860 40.213 ( -18.443 -1.861 -2.469) 18.700 40.292 ( -19.234 -9.565 2.165) 21.590 40.673 ( -24.455 3.683 -1.530) 24.778 40.797 ( -16.834 -3.094 -0.533) 17.125 ======================= Grid point 148 (77/84) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 14.338 -1.107 -16.362) 21.783 1.685 ( 6.069 -3.734 -11.197) 13.272 1.737 ( 14.734 1.129 -15.021) 21.072 1.925 ( 9.323 -3.006 -0.473) 9.807 2.155 ( 5.950 16.411 10.119) 20.178 2.267 ( 6.568 6.933 5.419) 10.980 2.336 ( 3.483 -2.141 -0.467) 4.115 2.586 ( 5.774 0.212 0.736) 5.824 2.650 ( 3.090 -1.604 3.075) 4.645 2.677 ( -0.189 -2.422 1.674) 2.951 3.007 ( -3.808 11.262 -12.139) 16.990 3.054 ( -2.271 -0.373 1.716) 2.870 3.084 ( -3.572 0.335 -3.735) 5.179 3.136 ( -1.534 6.852 2.409) 7.423 3.209 ( -0.446 -0.296 -8.082) 8.099 3.395 ( 2.327 1.799 -2.767) 4.038 3.494 ( 4.648 -3.762 2.039) 6.318 3.567 ( -4.921 0.399 2.732) 5.643 3.702 ( -1.678 -0.102 -1.418) 2.199 3.813 ( -7.236 -3.464 -0.092) 8.023 3.957 ( -2.933 1.364 1.186) 3.445 4.075 ( -0.502 0.960 3.084) 3.269 4.097 ( -2.423 -0.925 1.758) 3.133 4.261 ( 5.531 0.374 7.213) 9.097 4.274 ( 4.316 1.331 1.346) 4.712 4.331 ( 3.631 2.958 4.692) 6.629 4.449 ( 5.662 -5.004 -0.439) 7.569 4.470 ( 8.193 -2.154 -2.259) 8.767 4.623 ( 5.753 -4.814 -1.854) 7.727 4.705 ( 7.296 2.421 -5.313) 9.344 4.788 ( 1.832 2.623 -2.576) 4.108 4.879 ( 11.400 -1.611 -1.900) 11.669 5.031 ( 2.409 3.406 0.426) 4.193 5.148 ( 2.355 -3.724 6.644) 7.972 5.181 ( 4.170 -3.530 2.250) 5.909 5.216 ( 6.304 -4.324 4.550) 8.896 5.284 ( 3.190 -2.157 -5.668) 6.853 5.337 ( 9.214 -5.131 0.548) 10.561 5.512 ( 2.167 2.653 4.827) 5.919 5.650 ( 4.285 -0.067 -1.087) 4.421 5.695 ( -1.728 -1.952 -1.480) 2.998 5.831 ( 3.678 -2.928 -2.454) 5.303 5.972 ( 0.880 1.540 2.444) 3.019 5.995 ( 5.694 4.124 -1.139) 7.122 6.023 ( 5.011 3.191 -0.510) 5.963 6.081 ( 4.318 0.511 5.269) 6.831 6.169 ( 7.037 4.112 1.738) 8.333 6.280 ( 5.623 -1.594 -2.468) 6.344 6.392 ( 10.895 3.748 2.177) 11.725 6.436 ( 1.702 1.470 2.390) 3.282 6.533 ( 7.316 1.020 -2.218) 7.712 6.624 ( 5.981 5.628 4.457) 9.344 6.716 ( 6.005 -0.999 -7.941) 10.006 6.748 ( 4.647 0.460 3.048) 5.577 6.814 ( 11.250 -5.830 3.999) 13.287 6.871 ( 4.239 1.388 -4.571) 6.386 6.886 ( 5.487 -0.979 -2.713) 6.199 7.049 ( 5.394 -0.414 3.628) 6.514 7.057 ( -0.493 -4.576 2.832) 5.403 7.193 ( 1.777 0.642 -1.631) 2.496 7.222 ( 2.948 1.707 7.039) 7.821 7.264 ( 7.290 -7.543 -1.889) 10.658 7.335 ( -0.295 2.183 1.059) 2.444 7.497 ( 4.118 -7.983 -2.359) 9.288 7.562 ( 4.839 3.768 -4.972) 7.896 7.631 ( 5.552 -0.040 3.813) 6.735 7.766 ( 4.583 -0.734 0.204) 4.646 7.786 ( -2.212 -2.751 -3.687) 5.104 7.821 ( 4.627 0.352 -4.203) 6.261 7.906 ( -0.088 -2.608 4.900) 5.552 7.934 ( 1.528 -3.384 0.399) 3.735 7.964 ( 1.638 -1.755 2.082) 3.177 8.049 ( 0.848 -0.763 -1.587) 1.955 8.140 ( 1.647 -0.502 4.686) 4.993 8.195 ( 7.272 -0.602 -0.031) 7.297 8.279 ( -0.313 2.133 3.670) 4.256 8.319 ( -0.018 3.802 -1.427) 4.061 8.329 ( 3.831 1.266 6.502) 7.652 8.359 ( 2.484 -0.359 -2.600) 3.614 8.496 ( -0.933 3.424 -1.572) 3.881 8.572 ( -0.367 -2.212 -3.246) 3.945 8.630 ( 0.546 -2.182 -1.121) 2.513 8.743 ( -2.116 1.260 1.178) 2.730 8.795 ( 2.034 -3.647 5.196) 6.666 8.806 ( 0.170 -2.749 4.406) 5.196 8.910 ( -4.392 0.283 0.623) 4.445 8.955 ( -1.071 1.912 1.596) 2.711 9.018 ( -1.414 -4.077 2.380) 4.928 9.063 ( -1.856 1.114 1.734) 2.773 9.120 ( -0.439 0.723 -3.599) 3.697 9.171 ( -3.729 2.473 -1.055) 4.597 9.209 ( -1.321 1.758 3.660) 4.270 9.341 ( -4.669 2.921 0.388) 5.521 9.375 ( -5.886 6.625 -0.517) 8.877 9.503 ( -4.425 1.270 3.572) 5.827 9.582 ( -0.533 -0.265 -5.793) 5.824 9.592 ( -0.576 1.548 3.822) 4.164 9.712 ( -2.174 -0.848 3.095) 3.877 9.831 ( -4.698 1.681 -1.676) 5.264 9.886 ( -5.242 1.409 -0.111) 5.430 9.936 ( -5.181 -5.833 -1.691) 7.983 10.041 ( -5.066 -3.872 -5.922) 8.702 10.119 ( -2.594 5.759 -2.445) 6.773 10.232 ( -8.904 1.769 0.075) 9.078 10.469 ( -6.638 1.890 2.740) 7.426 10.529 ( -8.693 0.279 -3.225) 9.276 10.639 ( -12.826 -3.110 3.577) 13.674 10.771 ( -11.941 -6.098 4.014) 13.996 10.812 ( -9.052 3.528 -1.933) 9.906 10.912 ( -13.664 2.141 -1.681) 13.932 11.088 ( -7.222 11.087 -6.718) 14.839 11.217 ( -2.777 5.221 1.504) 6.102 11.545 ( -10.024 -6.952 1.795) 12.330 11.613 ( -8.781 -13.577 -9.868) 18.942 11.949 ( -5.509 5.443 -5.330) 9.401 12.198 ( -2.522 -6.927 0.845) 7.420 12.412 ( 6.906 0.778 3.260) 7.676 12.515 ( 5.454 -5.751 5.193) 9.475 12.737 ( 4.314 8.597 -2.615) 9.968 13.035 ( 3.869 -5.653 -6.608) 9.518 13.895 ( -1.062 4.620 -3.113) 5.671 14.032 ( -6.329 -0.555 4.430) 7.745 14.148 ( -4.675 3.458 3.111) 6.594 14.305 ( -4.265 -6.219 3.403) 8.273 14.463 ( -1.984 4.045 1.719) 4.823 14.567 ( -1.074 1.905 -2.584) 3.385 14.661 ( -5.462 0.031 0.338) 5.473 14.697 ( -1.025 -1.595 -5.911) 6.208 16.224 ( 1.490 0.815 9.159) 9.315 16.275 ( -0.263 -1.644 8.085) 8.255 16.352 ( 7.562 1.816 -1.659) 7.952 16.455 ( 4.568 -3.054 -2.197) 5.917 16.911 ( 1.405 0.440 0.987) 1.773 17.006 ( 1.392 -4.300 2.696) 5.263 17.101 ( 0.726 6.269 -7.698) 9.954 17.191 ( -1.941 4.193 -1.364) 4.818 17.362 ( 0.542 -2.204 -3.161) 3.891 17.434 ( 0.109 -3.824 -2.893) 4.796 17.485 ( 0.589 3.481 2.328) 4.229 17.532 ( -2.019 3.173 1.520) 4.057 17.639 ( -0.443 -1.195 -2.157) 2.506 17.653 ( -2.330 1.586 4.812) 5.577 17.751 ( 0.570 -0.676 -2.247) 2.414 17.768 ( 0.105 2.929 -0.714) 3.016 17.774 ( -2.513 -2.514 1.679) 3.931 17.867 ( -0.526 -0.282 -0.091) 0.604 17.909 ( -0.021 0.016 4.996) 4.996 18.002 ( -2.039 -2.965 4.428) 5.706 18.158 ( -2.115 3.170 -0.988) 3.937 18.227 ( -0.763 1.356 -3.691) 4.006 18.301 ( -2.249 -2.270 -4.440) 5.470 18.304 ( -1.862 -2.597 -3.638) 4.842 18.573 ( -1.141 2.927 2.292) 3.889 18.625 ( 0.457 1.941 -1.628) 2.575 18.791 ( -1.749 -2.400 -2.740) 4.041 18.818 ( -2.462 -2.356 -0.458) 3.438 20.501 ( 16.877 0.294 -0.617) 16.891 20.512 ( 17.675 0.637 -1.681) 17.766 20.553 ( 17.493 -1.684 0.047) 17.574 20.571 ( 18.427 -1.201 -3.756) 18.844 20.704 ( 21.709 6.107 4.904) 23.078 20.973 ( 26.115 -6.858 15.856) 31.312 21.967 ( -7.323 0.085 -0.370) 7.333 21.973 ( -7.038 -0.196 -0.823) 7.089 21.992 ( -6.863 0.974 0.117) 6.933 22.046 ( -5.532 -1.850 0.079) 5.834 22.143 ( -3.328 2.058 0.188) 3.918 22.207 ( -0.848 -1.131 0.441) 1.481 26.960 ( 0.912 0.101 -1.151) 1.471 26.979 ( 0.002 -0.898 0.177) 0.915 27.010 ( -0.321 0.443 0.266) 0.609 27.015 ( -0.502 0.332 0.013) 0.602 27.518 ( -0.681 0.518 -0.743) 1.133 27.546 ( -1.248 -0.213 0.052) 1.267 27.550 ( -1.039 -0.161 0.199) 1.070 27.568 ( -1.609 -0.366 0.764) 1.818 27.639 ( 1.273 0.515 -1.190) 1.817 27.660 ( 0.256 -0.483 0.785) 0.957 27.849 ( -2.690 0.049 -0.473) 2.732 27.850 ( -2.316 0.008 -0.912) 2.489 36.577 ( 3.080 1.151 -0.428) 3.316 36.625 ( 2.644 -1.054 1.987) 3.471 36.998 ( 0.807 0.870 -2.171) 2.474 37.090 ( 3.560 -2.513 -1.304) 4.549 37.153 ( 4.107 1.579 -2.440) 5.031 37.190 ( 1.952 -2.659 -2.604) 4.202 37.259 ( 0.062 1.538 -6.703) 6.877 37.377 ( 3.026 -4.207 -3.215) 6.098 37.542 ( 8.096 0.502 -2.247) 8.417 37.577 ( 7.233 -0.654 -3.402) 8.020 37.889 ( 0.621 11.899 4.247) 12.650 37.967 ( 3.041 1.346 -3.745) 5.009 38.054 ( 3.349 -0.447 -1.937) 3.894 38.135 ( 1.609 -0.707 5.488) 5.763 38.214 ( 2.759 6.217 3.238) 7.533 38.293 ( 2.695 6.483 -3.977) 8.069 38.378 ( -1.914 -3.442 13.296) 13.867 38.706 ( -5.301 -8.340 12.351) 15.818 39.427 ( -33.450 3.956 -22.591) 40.558 39.688 ( -25.562 -4.902 -5.659) 26.636 39.838 ( -19.997 -0.409 -1.916) 20.093 39.882 ( -21.425 -4.681 0.468) 21.936 40.160 ( -26.311 7.146 -0.306) 27.266 40.355 ( -26.753 -3.324 -1.506) 27.001 ======================= Grid point 149 (78/84) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 11.850 -0.809 -8.955) 14.875 1.740 ( 12.568 0.484 -9.345) 15.669 1.903 ( 9.120 -3.359 -4.648) 10.773 2.036 ( 6.033 -6.369 -4.405) 9.817 2.325 ( 4.145 8.840 3.762) 10.464 2.358 ( -2.059 -0.252 -2.236) 3.049 2.445 ( 2.408 3.734 -1.090) 4.575 2.537 ( -1.677 2.687 -5.726) 6.544 2.641 ( -4.615 -3.818 1.150) 6.099 2.667 ( -0.464 3.059 3.466) 4.646 2.914 ( 0.594 5.757 -2.447) 6.284 2.979 ( -1.086 1.084 1.026) 1.846 3.060 ( -3.564 1.929 -3.138) 5.126 3.105 ( 0.493 4.942 -5.650) 7.523 3.243 ( 3.348 -5.565 -1.975) 6.788 3.421 ( -0.651 -4.943 -0.842) 5.057 3.467 ( -2.990 -0.801 -0.108) 3.097 3.561 ( 1.334 -0.980 5.342) 5.592 3.750 ( 1.214 5.907 7.050) 9.277 3.753 ( 4.377 3.440 -0.275) 5.574 3.936 ( 1.461 -0.285 -0.254) 1.510 4.016 ( -1.628 5.242 -0.934) 5.568 4.132 ( -1.173 -3.541 7.121) 8.039 4.196 ( -4.842 -0.597 3.791) 6.179 4.382 ( 0.474 0.754 -8.050) 8.099 4.482 ( 1.865 -4.410 4.278) 6.421 4.585 ( 7.025 2.376 0.168) 7.418 4.643 ( 4.830 -0.940 4.352) 6.569 4.731 ( 1.262 2.912 -0.864) 3.289 4.749 ( 10.056 -0.300 -1.928) 10.243 4.874 ( 10.307 6.023 -2.149) 12.129 5.053 ( 5.110 0.110 0.309) 5.121 5.077 ( 3.662 1.013 -2.116) 4.349 5.193 ( 2.468 -6.004 -0.821) 6.543 5.318 ( 0.126 -0.633 0.824) 1.047 5.325 ( 3.911 -2.481 6.387) 7.889 5.406 ( 7.900 -1.963 4.221) 9.169 5.498 ( 7.746 -1.428 -4.360) 9.002 5.548 ( 2.701 -0.229 -1.181) 2.957 5.656 ( -2.309 -6.253 1.571) 6.848 5.716 ( 5.071 2.706 -1.484) 5.936 5.886 ( 3.045 -2.423 -2.151) 4.447 5.994 ( -0.976 1.661 3.281) 3.805 6.063 ( -0.206 -0.767 -0.807) 1.132 6.115 ( 6.235 6.975 -2.447) 9.670 6.194 ( -0.475 -1.114 4.233) 4.403 6.213 ( -0.016 0.514 -1.666) 1.744 6.352 ( 5.283 -2.396 0.712) 5.844 6.485 ( 3.164 4.358 5.882) 7.975 6.582 ( -1.406 4.340 3.303) 5.632 6.642 ( 6.251 1.735 4.353) 7.813 6.724 ( -1.839 0.677 -3.617) 4.113 6.811 ( 12.513 4.716 -5.713) 14.541 6.840 ( 6.099 3.019 2.141) 7.134 6.945 ( 6.239 -9.104 -1.102) 11.092 6.989 ( 1.258 2.572 -0.646) 2.935 7.033 ( 6.953 -9.740 2.699) 12.268 7.155 ( 7.857 -2.524 0.393) 8.261 7.187 ( 13.184 -5.937 -6.209) 15.736 7.255 ( 4.578 0.535 -1.848) 4.966 7.352 ( 5.854 -6.079 0.283) 8.444 7.419 ( 5.202 9.206 3.909) 11.273 7.465 ( 11.936 0.858 -0.489) 11.977 7.518 ( 6.020 -4.064 -4.503) 8.546 7.594 ( 1.186 -1.088 -3.222) 3.601 7.684 ( -2.447 -3.694 -3.782) 5.826 7.785 ( 4.707 -4.040 5.204) 8.097 7.826 ( 0.040 0.829 2.075) 2.235 7.862 ( 1.470 -1.730 -1.481) 2.710 7.904 ( -1.638 -1.666 -1.722) 2.903 7.955 ( 0.080 -1.052 3.568) 3.720 8.036 ( 5.481 -2.039 1.362) 6.004 8.071 ( 0.005 2.099 1.395) 2.520 8.190 ( 0.612 3.466 3.946) 5.288 8.244 ( -0.130 2.200 -0.105) 2.207 8.287 ( -3.388 4.305 1.161) 5.600 8.346 ( 1.231 -4.552 -0.532) 4.746 8.396 ( 1.576 -0.614 -1.722) 2.413 8.448 ( 8.064 -0.259 -0.028) 8.068 8.503 ( -3.744 -2.967 -2.333) 5.317 8.559 ( 3.215 2.185 3.365) 5.142 8.620 ( 0.434 -1.571 -1.322) 2.098 8.670 ( -2.259 3.115 1.096) 4.001 8.808 ( -4.808 1.566 0.334) 5.067 8.836 ( -1.197 1.008 1.134) 1.932 8.890 ( 2.595 1.424 -2.825) 4.092 8.964 ( -0.250 -3.131 -2.421) 3.966 8.995 ( -3.351 -2.383 0.823) 4.194 9.035 ( -1.099 2.197 8.731) 9.070 9.121 ( -0.395 3.999 0.404) 4.039 9.134 ( -0.215 -0.429 3.528) 3.561 9.195 ( -2.297 3.936 3.831) 5.953 9.259 ( -3.648 6.008 -0.946) 7.092 9.297 ( 0.255 -0.838 2.122) 2.296 9.398 ( -6.517 1.466 3.146) 7.384 9.522 ( -5.736 0.112 0.812) 5.794 9.619 ( 0.204 -1.385 -1.610) 2.134 9.674 ( -4.627 0.355 -1.819) 4.984 9.731 ( -3.499 -3.848 -0.996) 5.296 9.790 ( -4.190 -0.801 -1.190) 4.429 9.839 ( -5.718 -2.709 -1.986) 6.632 9.910 ( -0.668 -1.860 4.092) 4.544 10.014 ( -8.834 3.461 -0.403) 9.496 10.068 ( -4.951 0.805 -0.689) 5.063 10.243 ( -12.231 3.017 -1.119) 12.647 10.331 ( -17.578 2.865 2.144) 17.939 10.421 ( -3.376 -0.787 -6.769) 7.605 10.547 ( -10.768 -3.303 -4.631) 12.178 10.679 ( -5.788 1.907 3.163) 6.866 10.758 ( -4.602 -2.585 10.136) 11.428 10.883 ( -6.308 8.042 -8.636) 13.381 11.109 ( -5.433 -0.990 -7.513) 9.325 11.422 ( -2.028 -2.397 3.298) 4.553 11.509 ( -1.929 -4.814 2.729) 5.861 11.795 ( -5.498 4.640 -7.694) 10.533 12.043 ( -10.948 -6.819 -5.524) 14.031 12.584 ( 7.386 0.250 4.695) 8.756 12.667 ( 4.877 -3.772 7.275) 9.536 12.794 ( 2.628 6.991 0.248) 7.472 13.019 ( -0.006 -2.867 -5.428) 6.139 13.900 ( 3.001 1.165 -1.744) 3.661 13.970 ( -2.029 -1.313 0.195) 2.424 14.088 ( -3.089 3.450 0.694) 4.683 14.233 ( -6.349 -5.339 4.274) 9.331 14.460 ( -0.713 2.685 3.820) 4.723 14.524 ( 0.174 0.875 -5.363) 5.437 14.562 ( -4.987 0.737 1.134) 5.167 14.623 ( -1.653 -1.755 -5.527) 6.030 16.332 ( 1.307 0.307 9.881) 9.972 16.351 ( 0.356 -0.585 9.455) 9.480 16.457 ( 5.243 0.800 -4.129) 6.722 16.498 ( 3.003 -0.998 -5.270) 6.148 16.957 ( 1.504 0.635 2.853) 3.286 17.031 ( 0.589 -1.530 -1.568) 2.268 17.078 ( 1.552 1.896 -2.673) 3.626 17.142 ( -0.601 0.962 -3.794) 3.960 17.367 ( 1.233 -1.272 -0.573) 1.862 17.404 ( -0.006 -2.387 -3.400) 4.155 17.487 ( -1.948 1.847 0.861) 2.819 17.515 ( -1.367 1.478 2.269) 3.033 17.617 ( -1.262 0.580 2.786) 3.113 17.663 ( 0.900 1.408 -0.898) 1.897 17.714 ( -2.294 0.671 -0.456) 2.433 17.738 ( -0.512 0.742 -1.967) 2.163 17.810 ( 2.442 -0.450 2.248) 3.350 17.875 ( 0.215 0.319 2.516) 2.545 17.963 ( 0.028 -1.460 7.292) 7.437 18.008 ( -0.737 -2.095 3.520) 4.162 18.112 ( -1.462 2.776 -1.733) 3.585 18.171 ( -1.605 0.979 -4.131) 4.539 18.211 ( -2.348 -1.245 -5.707) 6.295 18.234 ( -1.830 -2.419 -4.557) 5.474 18.576 ( -0.947 2.739 3.136) 4.270 18.618 ( 0.773 1.387 -3.114) 3.495 18.748 ( -0.299 -1.669 -2.417) 2.953 18.775 ( -1.744 -1.900 0.016) 2.579 20.849 ( 19.048 0.666 -0.646) 19.070 20.858 ( 19.206 0.967 -1.922) 19.327 20.901 ( 19.118 -1.035 -3.671) 19.495 20.927 ( 19.366 -3.636 0.867) 19.723 21.161 ( 19.757 9.138 5.307) 22.406 21.517 ( 14.513 -7.949 13.718) 21.494 21.785 ( -11.263 0.095 -0.005) 11.263 21.796 ( -10.760 -0.201 -0.481) 10.773 21.836 ( -8.703 0.691 1.953) 8.946 21.907 ( -8.861 -2.856 0.348) 9.317 22.054 ( -5.912 3.944 -0.361) 7.116 22.181 ( -1.942 -2.337 -0.760) 3.132 26.971 ( 0.976 -0.278 -0.789) 1.285 26.979 ( 0.070 -0.761 -0.098) 0.771 27.005 ( -0.512 0.487 0.178) 0.729 27.008 ( -0.292 0.388 0.274) 0.557 27.508 ( -0.134 0.346 0.102) 0.384 27.526 ( -1.054 0.126 0.724) 1.285 27.534 ( -0.172 -0.487 -1.147) 1.258 27.544 ( -1.372 -0.333 0.705) 1.578 27.662 ( 1.703 0.297 -0.200) 1.740 27.675 ( 0.668 -0.282 0.660) 0.981 27.792 ( -2.625 0.159 -0.550) 2.686 27.798 ( -2.244 -0.083 -0.932) 2.431 36.658 ( 4.783 1.017 2.072) 5.311 36.705 ( 3.407 -1.173 3.244) 4.848 36.992 ( 0.107 1.556 -2.236) 2.726 37.090 ( -1.533 -2.636 -5.529) 6.314 37.177 ( -1.206 3.176 -4.754) 5.843 37.213 ( 2.909 -2.028 -4.400) 5.651 37.226 ( 3.468 -1.843 -1.288) 4.133 37.326 ( -1.054 -4.572 -9.364) 10.474 37.735 ( 9.865 3.070 -0.589) 10.348 37.754 ( 9.967 2.165 -2.476) 10.496 37.910 ( -2.146 14.791 4.415) 15.584 38.022 ( 9.137 2.809 -1.858) 9.738 38.136 ( 3.583 -1.590 4.408) 5.899 38.219 ( 3.652 -5.120 2.564) 6.791 38.324 ( 8.471 3.813 -1.940) 9.490 38.407 ( 6.512 4.561 5.479) 9.655 38.478 ( 5.723 -1.556 5.795) 8.292 38.605 ( -14.168 -4.685 -4.453) 15.573 38.774 ( -11.181 1.949 -3.815) 11.973 39.160 ( -22.759 -10.639 -5.733) 25.769 39.393 ( -22.750 -0.793 -2.460) 22.896 39.475 ( -21.614 -1.462 0.942) 21.683 39.646 ( -26.459 5.568 -0.014) 27.039 39.788 ( -28.296 -1.354 -4.257) 28.647 ======================= Grid point 150 (79/84) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.783 ( 7.907 5.150 -2.515) 9.766 1.921 ( -1.891 4.897 -5.075) 7.301 2.003 ( 11.178 -7.842 -0.371) 13.659 2.114 ( 3.789 -5.916 -4.020) 8.094 2.270 ( -2.985 -0.267 4.330) 5.266 2.320 ( -0.643 4.282 0.286) 4.339 2.377 ( -4.445 2.039 -4.822) 6.868 2.463 ( -3.624 2.776 -5.390) 7.063 2.641 ( 1.763 -3.240 3.600) 5.154 2.695 ( -1.331 -2.977 0.278) 3.273 2.946 ( 2.087 3.226 2.779) 4.742 2.982 ( 0.008 0.900 -0.162) 0.915 3.001 ( 1.525 1.593 -6.760) 7.111 3.038 ( -1.356 4.296 -0.496) 4.532 3.228 ( 0.314 -6.620 -2.808) 7.198 3.309 ( -8.888 -6.846 3.849) 11.861 3.542 ( 6.081 6.258 2.698) 9.133 3.657 ( -2.167 3.675 2.851) 5.131 3.806 ( 5.555 5.006 3.206) 8.136 3.890 ( 6.118 5.027 0.935) 7.973 3.972 ( -0.039 1.727 -5.617) 5.876 3.994 ( -1.450 -0.668 2.155) 2.682 4.151 ( -2.727 -1.879 7.025) 7.766 4.177 ( -1.578 -0.402 -0.782) 1.806 4.325 ( 5.618 2.054 -2.468) 6.470 4.494 ( -6.215 1.261 -1.504) 6.518 4.558 ( 1.426 -5.648 0.595) 5.855 4.658 ( -3.366 -4.519 -4.865) 7.445 4.876 ( 8.810 5.505 4.446) 11.300 4.962 ( 7.341 0.724 0.868) 7.427 5.046 ( 3.648 2.869 0.655) 4.687 5.087 ( 0.827 1.651 1.197) 2.201 5.100 ( -0.194 3.150 -0.278) 3.169 5.193 ( -2.950 -0.627 -1.720) 3.472 5.325 ( 2.571 -2.083 2.014) 3.874 5.390 ( -0.576 -2.203 -2.423) 3.326 5.516 ( 4.342 3.852 0.913) 5.876 5.596 ( -3.042 0.542 -1.567) 3.465 5.617 ( 7.220 -0.454 -2.577) 7.679 5.643 ( 3.179 -2.275 3.631) 5.335 5.848 ( 4.349 -0.663 0.278) 4.408 5.893 ( -2.578 0.730 -1.427) 3.035 5.962 ( -3.132 -3.870 2.836) 5.729 5.981 ( -1.549 -2.101 -4.370) 5.091 6.133 ( 1.752 -0.138 -1.400) 2.247 6.178 ( -4.790 -0.961 3.598) 6.068 6.295 ( 7.163 -0.472 1.759) 7.391 6.426 ( -2.190 -2.252 -0.330) 3.159 6.570 ( 4.228 8.631 1.967) 9.810 6.654 ( 1.863 -0.755 4.857) 5.257 6.687 ( -2.914 1.030 2.017) 3.691 6.707 ( 1.237 -3.577 -1.139) 3.952 6.844 ( -2.281 2.245 0.856) 3.312 6.854 ( -0.674 0.712 -6.488) 6.562 7.025 ( 7.833 0.168 3.454) 8.562 7.140 ( 0.926 -3.571 -2.375) 4.388 7.213 ( 8.990 -1.382 -0.278) 9.100 7.251 ( 3.244 -0.300 -2.517) 4.116 7.282 ( 3.962 -2.184 1.055) 4.645 7.398 ( -6.270 2.222 -0.527) 6.673 7.399 ( 7.201 -4.168 -3.527) 9.037 7.434 ( 2.057 -9.082 -3.035) 9.794 7.551 ( 6.301 -1.670 -1.762) 6.752 7.638 ( 1.850 0.977 0.344) 2.120 7.721 ( 9.516 0.937 -2.695) 9.934 7.743 ( 6.644 2.206 -0.313) 7.008 7.769 ( -2.902 -2.264 -4.114) 5.521 7.852 ( 2.464 -2.687 1.489) 3.938 7.879 ( -6.275 -3.112 3.439) 7.803 7.916 ( -0.367 1.379 7.120) 7.262 7.955 ( 2.530 -1.340 0.067) 2.864 8.002 ( -6.862 0.542 3.298) 7.632 8.178 ( 5.376 1.222 -0.608) 5.547 8.185 ( -3.239 2.334 -0.064) 3.993 8.251 ( -2.744 1.761 -2.151) 3.906 8.276 ( -0.089 -1.961 -0.948) 2.180 8.341 ( 6.882 -0.144 -0.188) 6.886 8.390 ( 0.544 -2.703 5.527) 6.177 8.499 ( -0.198 -1.510 2.593) 3.007 8.558 ( -0.622 -0.302 -2.396) 2.494 8.591 ( -1.527 0.658 2.463) 2.972 8.633 ( 2.724 5.904 -1.674) 6.714 8.669 ( 2.049 1.080 -0.952) 2.505 8.708 ( -4.119 0.055 -2.145) 4.644 8.817 ( -1.247 3.447 2.723) 4.566 8.837 ( 0.770 2.605 -5.592) 6.217 8.923 ( -2.050 -0.739 1.403) 2.591 8.956 ( -1.148 -0.835 -3.044) 3.359 9.085 ( -0.570 2.159 1.985) 2.988 9.145 ( -1.349 -1.216 1.062) 2.104 9.153 ( -0.809 -0.837 -0.862) 1.448 9.185 ( -1.369 -1.641 4.567) 5.042 9.207 ( 0.900 7.249 0.919) 7.362 9.271 ( -3.810 3.964 0.920) 5.574 9.420 ( -1.453 -0.922 1.525) 2.300 9.445 ( 0.999 -3.280 2.983) 4.545 9.562 ( 1.661 -3.577 0.175) 3.948 9.610 ( -3.880 -0.557 2.010) 4.405 9.627 ( -2.385 1.521 -1.121) 3.043 9.709 ( -4.878 0.227 -5.771) 7.559 9.798 ( 6.635 0.655 -2.656) 7.177 9.869 ( -0.957 -0.487 -3.546) 3.705 9.949 ( -2.491 2.272 0.044) 3.372 10.006 ( -15.386 2.306 3.500) 15.947 10.061 ( 1.401 -2.433 5.328) 6.023 10.081 ( -6.805 -0.802 4.465) 8.179 10.311 ( -1.668 0.307 -3.381) 3.782 10.369 ( -3.432 -2.640 -5.676) 7.138 10.635 ( -1.996 3.197 4.696) 6.021 10.695 ( -3.730 4.466 -5.303) 7.873 10.846 ( 2.141 -1.751 7.152) 7.668 10.960 ( -3.071 -2.994 -8.009) 9.085 11.470 ( 1.836 0.494 6.867) 7.126 11.542 ( 1.192 -2.836 3.361) 4.556 11.633 ( -2.831 3.080 -5.922) 7.250 11.763 ( -10.199 -3.124 -7.529) 13.056 12.747 ( 5.394 0.270 2.521) 5.960 12.809 ( 0.160 -1.447 6.535) 6.695 12.827 ( 3.115 3.198 1.617) 4.748 12.947 ( -2.561 -1.415 -6.226) 6.880 13.942 ( 0.669 0.776 0.963) 1.406 13.953 ( 0.517 -0.058 -1.570) 1.653 14.066 ( 3.359 -0.247 -4.275) 5.442 14.138 ( -7.177 -3.808 5.282) 9.691 14.491 ( 0.911 0.554 -0.930) 1.415 14.495 ( 1.264 0.609 -2.062) 2.494 14.501 ( -3.389 1.055 5.378) 6.444 14.550 ( -1.343 -0.768 -4.759) 5.004 16.425 ( -0.238 0.182 9.701) 9.705 16.434 ( -0.080 -0.124 9.469) 9.470 16.478 ( 2.207 0.269 -8.114) 8.414 16.489 ( 1.680 -0.118 -7.691) 7.873 17.006 ( 0.495 0.455 3.640) 3.701 17.027 ( 0.940 0.253 -2.818) 2.981 17.090 ( 0.372 -0.164 0.422) 0.586 17.107 ( -0.148 -0.070 -2.914) 2.918 17.382 ( -0.420 -0.258 1.537) 1.615 17.386 ( 0.909 -0.507 -3.070) 3.241 17.470 ( 0.002 0.500 0.835) 0.973 17.493 ( -1.739 -0.334 0.406) 1.817 17.631 ( -0.879 0.428 4.834) 4.932 17.657 ( 1.430 0.072 -6.604) 6.757 17.691 ( -1.605 1.949 4.805) 5.428 17.711 ( 0.010 1.373 -3.212) 3.493 17.880 ( 2.941 -0.723 0.201) 3.035 17.902 ( -0.699 -0.314 3.431) 3.516 18.023 ( 0.524 -1.712 5.651) 5.927 18.033 ( 0.090 -0.932 3.983) 4.091 18.074 ( -0.549 1.370 -2.880) 3.236 18.098 ( -2.247 0.430 -4.111) 4.705 18.142 ( 0.043 -0.218 -3.292) 3.300 18.166 ( -1.713 -1.380 -3.064) 3.772 18.587 ( -0.829 2.354 3.689) 4.454 18.603 ( 0.752 1.742 -3.890) 4.328 18.739 ( 0.745 -1.511 -1.352) 2.160 18.750 ( -1.203 -1.655 0.621) 2.138 21.201 ( 17.199 0.671 -0.660) 17.225 21.210 ( 17.772 0.835 -0.651) 17.803 21.229 ( 17.001 -0.610 -2.195) 17.153 21.287 ( 15.845 -3.784 0.557) 16.300 21.466 ( 1.861 4.605 0.629) 5.007 21.527 ( -13.869 -0.156 1.052) 13.910 21.542 ( -13.169 0.327 0.833) 13.199 21.561 ( -11.257 0.219 0.754) 11.284 21.739 ( -3.083 0.447 2.029) 3.717 21.866 ( -4.898 3.243 0.026) 5.874 21.966 ( 2.987 -3.170 7.032) 8.272 22.108 ( -3.906 -4.161 -3.947) 6.939 26.980 ( 0.014 -0.411 0.423) 0.590 26.981 ( 0.420 -0.405 -0.814) 1.002 27.000 ( 0.206 0.393 -0.328) 0.552 27.004 ( -0.474 0.163 0.624) 0.801 27.510 ( 0.101 0.205 0.319) 0.393 27.516 ( -0.392 0.235 0.012) 0.457 27.526 ( 0.192 -0.500 -0.741) 0.914 27.529 ( -0.712 -0.321 0.664) 1.025 27.697 ( 1.482 -0.019 0.320) 1.516 27.698 ( 1.321 -0.024 0.464) 1.400 27.743 ( -1.844 0.208 -0.286) 1.878 27.750 ( -1.844 -0.080 -0.831) 2.024 36.797 ( 5.842 -0.161 5.483) 8.014 36.813 ( 4.366 -0.483 5.793) 7.270 36.928 ( -3.140 0.277 -6.152) 6.913 36.992 ( -5.493 -2.830 -6.518) 8.982 37.105 ( 0.121 2.914 -1.643) 3.348 37.160 ( -2.315 -0.139 -5.659) 6.116 37.279 ( 1.962 -1.349 -0.884) 2.540 37.285 ( 1.026 -1.376 -1.328) 2.170 37.797 ( 3.973 8.802 -4.885) 10.822 37.855 ( -5.333 14.701 3.468) 16.018 38.006 ( 14.560 0.954 -0.372) 14.596 38.216 ( 6.663 -1.569 -5.301) 8.658 38.229 ( -1.044 -1.195 9.598) 9.728 38.288 ( -12.107 -2.904 -1.169) 12.505 38.411 ( 14.602 -4.870 4.000) 15.903 38.528 ( 12.360 -1.666 -4.744) 13.343 38.600 ( 2.402 2.477 8.947) 9.589 38.655 ( 10.560 -3.524 -2.747) 11.467 38.763 ( 1.366 -3.488 0.036) 3.746 38.779 ( -6.286 -7.387 -2.892) 10.121 39.002 ( -11.504 1.910 0.855) 11.693 39.072 ( -20.330 -1.508 4.505) 20.878 39.172 ( -19.795 4.780 -1.984) 20.460 39.248 ( -20.981 0.891 -6.626) 22.020 ======================= Grid point 155 (80/84) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -0.000 -0.000 0.000) 0.000 1.536 ( 0.000 -0.000 0.000) 0.000 1.858 ( -0.000 0.000 -0.000) 0.000 1.858 ( 0.000 0.000 0.000) 0.000 1.956 ( -0.000 0.000 -0.000) 0.000 1.956 ( 0.000 -0.000 0.000) 0.000 2.304 ( -0.000 -0.000 0.000) 0.000 2.304 ( 0.000 -0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.466 ( -0.000 0.000 0.000) 0.000 3.017 ( -0.000 0.000 0.000) 0.000 3.017 ( -0.000 0.000 0.000) 0.000 3.356 ( -0.000 0.000 0.000) 0.000 3.356 ( -0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.487 ( 0.000 0.000 0.000) 0.000 3.596 ( -0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.726 ( -0.000 -0.000 0.000) 0.000 3.726 ( -0.000 0.000 0.000) 0.000 4.004 ( 0.000 -0.000 0.000) 0.000 4.004 ( 0.000 0.000 0.000) 0.000 4.098 ( -0.000 -0.000 0.000) 0.000 4.098 ( -0.000 0.000 0.000) 0.000 4.248 ( 0.000 -0.000 -0.000) 0.000 4.248 ( 0.000 -0.000 0.000) 0.000 4.299 ( 0.000 -0.000 0.000) 0.000 4.299 ( -0.000 0.000 0.000) 0.000 4.527 ( -0.000 0.000 0.000) 0.000 4.527 ( 0.000 0.000 0.000) 0.000 4.593 ( -0.000 0.000 -0.000) 0.000 4.593 ( -0.000 0.000 0.000) 0.000 4.903 ( 0.000 -0.000 -0.000) 0.000 4.903 ( 0.000 0.000 0.000) 0.000 5.038 ( -0.000 0.000 0.000) 0.000 5.038 ( -0.000 0.000 0.000) 0.000 5.240 ( -0.000 0.000 0.000) 0.000 5.240 ( -0.000 0.000 0.000) 0.000 5.492 ( -0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.795 ( -0.000 0.000 -0.000) 0.000 5.795 ( -0.000 0.000 0.000) 0.000 5.813 ( 0.000 -0.000 -0.000) 0.000 5.813 ( 0.000 0.000 0.000) 0.000 5.955 ( -0.000 -0.000 0.000) 0.000 5.955 ( -0.000 0.000 0.000) 0.000 6.055 ( -0.000 -0.000 0.000) 0.000 6.055 ( 0.000 0.000 0.000) 0.000 6.219 ( 0.000 -0.000 -0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 6.316 ( -0.000 0.000 -0.000) 0.000 6.316 ( 0.000 0.000 0.000) 0.000 6.599 ( -0.000 -0.000 0.000) 0.000 6.599 ( -0.000 0.000 0.000) 0.000 6.808 ( 0.000 -0.000 0.000) 0.000 6.808 ( 0.000 0.000 0.000) 0.000 6.862 ( -0.000 0.000 0.000) 0.000 6.862 ( -0.000 0.000 0.000) 0.000 7.060 ( 0.000 0.000 0.000) 0.000 7.060 ( -0.000 0.000 0.000) 0.000 7.163 ( -0.000 0.000 0.000) 0.000 7.163 ( -0.000 0.000 0.000) 0.000 7.441 ( -0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.493 ( -0.000 0.000 0.000) 0.000 7.493 ( -0.000 0.000 0.000) 0.000 7.700 ( -0.000 -0.000 0.000) 0.000 7.700 ( -0.000 0.000 0.000) 0.000 7.701 ( 0.000 -0.000 -0.000) 0.000 7.701 ( 0.000 0.000 -0.000) 0.000 7.957 ( -0.000 0.000 0.000) 0.000 7.957 ( -0.000 0.000 0.000) 0.000 8.043 ( -0.000 -0.000 -0.000) 0.000 8.043 ( 0.000 -0.000 0.000) 0.000 8.067 ( -0.000 0.000 -0.000) 0.000 8.067 ( 0.000 0.000 0.000) 0.000 8.345 ( -0.000 0.000 0.000) 0.000 8.345 ( -0.000 0.000 0.000) 0.000 8.469 ( 0.000 -0.000 -0.000) 0.000 8.469 ( -0.000 -0.000 0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 8.555 ( -0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 8.699 ( 0.000 0.000 0.000) 0.000 8.817 ( -0.000 0.000 0.000) 0.000 8.817 ( -0.000 0.000 0.000) 0.000 9.025 ( 0.000 0.000 0.000) 0.000 9.025 ( -0.000 0.000 0.000) 0.000 9.175 ( -0.000 0.000 0.000) 0.000 9.175 ( -0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.513 ( -0.000 0.000 0.000) 0.000 9.513 ( 0.000 0.000 0.000) 0.000 9.574 ( -0.000 -0.000 0.000) 0.000 9.574 ( 0.000 0.000 0.000) 0.000 9.755 ( 0.000 0.000 0.000) 0.000 9.755 ( -0.000 0.000 0.000) 0.000 9.915 ( -0.000 -0.000 0.000) 0.000 9.915 ( -0.000 0.000 0.000) 0.000 10.137 ( -0.000 0.000 -0.000) 0.000 10.137 ( -0.000 0.000 0.000) 0.000 10.291 ( -0.000 -0.000 0.000) 0.000 10.291 ( -0.000 0.000 0.000) 0.000 10.766 ( -0.000 -0.000 0.000) 0.000 10.766 ( 0.000 -0.000 0.000) 0.000 10.801 ( -0.000 0.000 0.000) 0.000 10.801 ( -0.000 0.000 0.000) 0.000 11.245 ( -0.000 0.000 0.000) 0.000 11.245 ( -0.000 0.000 0.000) 0.000 11.446 ( 0.000 -0.000 0.000) 0.000 11.446 ( 0.000 0.000 0.000) 0.000 11.687 ( -0.000 -0.000 0.000) 0.000 11.687 ( -0.000 0.000 0.000) 0.000 12.198 ( 0.000 -0.000 0.000) 0.000 12.198 ( -0.000 0.000 0.000) 0.000 12.360 ( -0.000 0.000 0.000) 0.000 12.360 ( 0.000 0.000 0.000) 0.000 12.645 ( -0.000 0.000 0.000) 0.000 12.645 ( 0.000 0.000 0.000) 0.000 14.201 ( 0.000 -0.000 0.000) 0.000 14.201 ( -0.000 -0.000 0.000) 0.000 14.236 ( 0.000 0.000 0.000) 0.000 14.236 ( -0.000 0.000 0.000) 0.000 14.623 ( -0.000 0.000 0.000) 0.000 14.623 ( 0.000 0.000 0.000) 0.000 14.758 ( 0.000 0.000 0.000) 0.000 14.758 ( 0.000 0.000 0.000) 0.000 16.177 ( 0.000 -0.000 -0.000) 0.000 16.177 ( 0.000 0.000 0.000) 0.000 16.205 ( -0.000 -0.000 0.000) 0.000 16.205 ( -0.000 0.000 0.000) 0.000 16.889 ( -0.000 0.000 0.000) 0.000 16.889 ( -0.000 0.000 0.000) 0.000 17.337 ( 0.000 -0.000 0.000) 0.000 17.337 ( -0.000 0.000 0.000) 0.000 17.378 ( 0.000 -0.000 0.000) 0.000 17.378 ( 0.000 0.000 0.000) 0.000 17.582 ( -0.000 -0.000 -0.000) 0.000 17.582 ( 0.000 0.000 0.000) 0.000 17.606 ( 0.000 -0.000 0.000) 0.000 17.606 ( -0.000 0.000 0.000) 0.000 17.768 ( -0.000 0.000 0.000) 0.000 17.768 ( 0.000 0.000 0.000) 0.000 17.852 ( -0.000 0.000 0.000) 0.000 17.852 ( -0.000 0.000 0.000) 0.000 17.935 ( -0.000 0.000 0.000) 0.000 17.935 ( 0.000 0.000 0.000) 0.000 18.303 ( 0.000 0.000 0.000) 0.000 18.303 ( -0.000 0.000 0.000) 0.000 18.322 ( -0.000 -0.000 0.000) 0.000 18.322 ( 0.000 0.000 0.000) 0.000 18.670 ( -0.000 -0.000 0.000) 0.000 18.670 ( -0.000 0.000 0.000) 0.000 18.835 ( 0.000 0.000 0.000) 0.000 18.835 ( 0.000 0.000 0.000) 0.000 20.104 ( 0.000 0.000 0.000) 0.000 20.104 ( 0.000 0.000 0.000) 0.000 20.141 ( -0.000 0.000 0.000) 0.000 20.141 ( -0.000 0.000 0.000) 0.000 20.173 ( -0.000 0.000 0.000) 0.000 20.173 ( -0.000 0.000 0.000) 0.000 22.122 ( -0.000 -0.000 -0.000) 0.000 22.122 ( 0.000 0.000 0.000) 0.000 22.123 ( -0.000 0.000 -0.000) 0.000 22.123 ( 0.000 0.000 0.000) 0.000 22.205 ( -0.000 0.000 0.000) 0.000 22.205 ( -0.000 0.000 0.000) 0.000 26.965 ( -0.000 0.000 0.000) 0.000 26.965 ( -0.000 0.000 0.000) 0.000 27.020 ( -0.000 0.000 0.000) 0.000 27.020 ( -0.000 0.000 0.000) 0.000 27.569 ( 0.000 0.000 -0.000) 0.000 27.569 ( -0.000 0.000 0.000) 0.000 27.580 ( -0.000 0.000 0.000) 0.000 27.580 ( -0.000 0.000 0.000) 0.000 27.644 ( 0.000 0.000 0.000) 0.000 27.644 ( -0.000 0.000 0.000) 0.000 27.917 ( -0.000 0.000 0.000) 0.000 27.917 ( -0.000 0.000 0.000) 0.000 36.544 ( 0.000 0.000 0.000) 0.000 36.544 ( -0.000 0.000 0.000) 0.000 36.984 ( -0.000 0.000 0.000) 0.000 36.984 ( -0.000 0.000 0.000) 0.000 37.147 ( -0.000 -0.000 -0.000) 0.000 37.147 ( -0.000 0.000 0.000) 0.000 37.187 ( 0.000 -0.000 0.000) 0.000 37.187 ( 0.000 0.000 0.000) 0.000 37.568 ( -0.000 0.000 0.000) 0.000 37.568 ( -0.000 0.000 0.000) 0.000 37.901 ( -0.000 0.000 0.000) 0.000 37.901 ( -0.000 0.000 0.000) 0.000 38.027 ( -0.000 -0.000 0.000) 0.000 38.027 ( 0.000 0.000 0.000) 0.000 38.284 ( -0.000 0.000 0.000) 0.000 38.284 ( -0.000 0.000 0.000) 0.000 38.496 ( -0.000 -0.000 0.000) 0.000 38.496 ( 0.000 0.000 0.000) 0.000 40.283 ( -0.000 -0.000 0.000) 0.000 40.283 ( 0.000 0.000 0.000) 0.000 40.359 ( -0.000 -0.000 0.000) 0.000 40.359 ( -0.000 0.000 0.000) 0.000 40.930 ( -0.000 0.000 0.000) 0.000 40.930 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 159 (81/84) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 6.206 -10.664 -21.111) 24.452 1.551 ( 6.206 10.664 -21.111) 24.452 1.721 ( 6.699 -4.475 -10.193) 12.993 1.721 ( 6.699 4.475 -10.193) 12.993 2.224 ( 6.573 -3.958 9.339) 12.086 2.224 ( 6.573 3.958 9.339) 12.086 2.330 ( -0.122 -6.288 12.384) 13.890 2.330 ( -0.122 6.288 12.384) 13.890 2.493 ( 4.683 -2.351 -0.075) 5.240 2.493 ( 4.683 2.351 -0.075) 5.240 3.065 ( 2.584 -6.255 2.890) 7.359 3.065 ( 2.584 6.255 2.890) 7.359 3.292 ( -5.487 -1.627 -5.423) 7.885 3.292 ( -5.487 1.627 -5.423) 7.885 3.394 ( -3.406 -1.063 -1.122) 3.740 3.394 ( -3.406 1.063 -1.122) 3.740 3.540 ( -2.112 -12.319 -6.080) 13.899 3.540 ( -2.112 12.319 -6.080) 13.899 3.802 ( 0.530 -5.807 -0.374) 5.844 3.802 ( 0.530 5.807 -0.374) 5.844 3.998 ( 4.039 -11.032 2.763) 12.068 3.998 ( 4.039 11.032 2.763) 12.068 4.149 ( -1.352 -3.187 2.197) 4.100 4.149 ( -1.352 3.187 2.197) 4.100 4.240 ( 0.680 -0.696 -4.147) 4.259 4.240 ( 0.680 0.696 -4.147) 4.259 4.315 ( 5.548 -5.931 0.353) 8.129 4.315 ( 5.548 5.931 0.353) 8.129 4.548 ( 3.469 -7.225 -0.751) 8.050 4.548 ( 3.469 7.225 -0.751) 8.050 4.694 ( 5.929 -0.635 3.975) 7.166 4.694 ( 5.929 0.635 3.975) 7.166 4.975 ( 3.748 -1.423 6.619) 7.739 4.975 ( 3.748 1.423 6.619) 7.739 5.072 ( 3.563 -2.272 -0.611) 4.270 5.072 ( 3.563 2.272 -0.611) 4.270 5.218 ( 1.750 -3.270 -6.235) 7.254 5.218 ( 1.750 3.270 -6.235) 7.254 5.521 ( 2.007 -4.617 1.902) 5.382 5.521 ( 2.007 4.617 1.902) 5.382 5.783 ( -0.981 -3.063 -3.066) 4.443 5.783 ( -0.981 3.063 -3.066) 4.443 5.865 ( 4.443 -1.523 5.995) 7.616 5.865 ( 4.443 1.523 5.995) 7.616 6.030 ( 2.839 -1.168 -1.400) 3.374 6.030 ( 2.839 1.168 -1.400) 3.374 6.106 ( 7.870 -5.763 -0.211) 9.757 6.106 ( 7.870 5.763 -0.211) 9.757 6.245 ( 7.016 -5.310 -2.783) 9.228 6.245 ( 7.016 5.310 -2.783) 9.228 6.430 ( 6.804 -5.164 4.145) 9.494 6.430 ( 6.804 5.164 4.145) 9.494 6.651 ( 4.854 -0.806 0.014) 4.921 6.651 ( 4.854 0.806 0.014) 4.921 6.799 ( -1.878 -9.874 2.054) 10.259 6.799 ( -1.878 9.874 2.054) 10.259 6.902 ( 3.462 -2.037 0.500) 4.047 6.902 ( 3.462 2.037 0.500) 4.047 7.055 ( 1.134 -5.527 -3.513) 6.646 7.055 ( 1.134 5.527 -3.513) 6.646 7.160 ( -1.090 -1.715 4.748) 5.165 7.160 ( -1.090 1.715 4.748) 5.165 7.380 ( -1.386 -2.160 -1.959) 3.229 7.380 ( -1.386 2.160 -1.959) 3.229 7.581 ( 4.632 -4.960 -1.740) 7.006 7.581 ( 4.632 4.960 -1.740) 7.006 7.726 ( 3.064 -5.221 2.797) 6.669 7.726 ( 3.064 5.221 2.797) 6.669 7.770 ( 5.327 -3.770 -2.741) 7.079 7.770 ( 5.327 3.770 -2.741) 7.079 7.906 ( -1.012 -2.248 -2.996) 3.880 7.906 ( -1.012 2.248 -2.996) 3.880 8.040 ( 0.989 -2.836 1.280) 3.265 8.040 ( 0.989 2.836 1.280) 3.265 8.140 ( 1.937 -5.130 4.910) 7.361 8.140 ( 1.937 5.130 4.910) 7.361 8.308 ( -1.484 -1.329 1.287) 2.371 8.308 ( -1.484 1.329 1.287) 2.371 8.492 ( 0.823 -8.040 -6.954) 10.662 8.492 ( 0.823 8.040 -6.954) 10.662 8.567 ( 1.846 -3.775 3.890) 5.726 8.567 ( 1.846 3.775 3.890) 5.726 8.704 ( -1.083 -2.663 4.673) 5.486 8.704 ( -1.083 2.663 4.673) 5.486 8.835 ( 0.046 -4.651 1.979) 5.055 8.835 ( 0.046 4.651 1.979) 5.055 9.017 ( -0.712 -0.777 -0.592) 1.209 9.017 ( -0.712 0.777 -0.592) 1.209 9.152 ( -2.299 -1.695 0.359) 2.879 9.152 ( -2.299 1.695 0.359) 2.879 9.241 ( -0.600 -1.335 -0.938) 1.739 9.241 ( -0.600 1.335 -0.938) 1.739 9.470 ( -3.717 -2.097 -0.577) 4.307 9.470 ( -3.717 2.097 -0.577) 4.307 9.571 ( -0.655 -2.033 0.787) 2.276 9.571 ( -0.655 2.033 0.787) 2.276 9.725 ( -1.705 -4.062 -1.956) 4.820 9.725 ( -1.705 4.062 -1.956) 4.820 9.912 ( -2.707 -3.031 3.251) 5.204 9.912 ( -2.707 3.031 3.251) 5.204 10.089 ( -3.390 -4.538 -3.902) 6.878 10.089 ( -3.390 4.538 -3.902) 6.878 10.272 ( -1.668 -4.429 -0.069) 4.733 10.272 ( -1.668 4.429 -0.069) 4.733 10.686 ( -6.448 -3.602 -1.668) 7.571 10.686 ( -6.448 3.602 -1.668) 7.571 10.766 ( -6.552 -5.197 5.522) 10.021 10.766 ( -6.552 5.197 5.522) 10.021 11.136 ( -7.457 -3.773 -5.939) 10.253 11.136 ( -7.457 3.773 -5.939) 10.253 11.426 ( -3.252 -7.978 3.035) 9.134 11.426 ( -3.252 7.978 3.035) 9.134 11.591 ( -8.758 -7.438 -4.654) 12.397 11.591 ( -8.758 7.438 -4.654) 12.397 12.180 ( -6.802 -1.548 1.114) 7.064 12.180 ( -6.802 1.548 1.114) 7.064 12.302 ( 4.489 -3.983 -0.665) 6.039 12.302 ( 4.489 3.983 -0.665) 6.039 12.783 ( 9.677 -8.836 -2.670) 13.374 12.783 ( 9.677 8.836 -2.670) 13.374 14.113 ( -6.886 -5.134 -0.030) 8.589 14.113 ( -6.886 5.134 -0.030) 8.589 14.241 ( -2.458 -3.999 4.388) 6.425 14.241 ( -2.458 3.999 4.388) 6.425 14.598 ( -1.870 -3.653 -1.147) 4.261 14.598 ( -1.870 3.653 -1.147) 4.261 14.736 ( -1.873 -0.705 -1.000) 2.237 14.736 ( -1.873 0.705 -1.000) 2.237 16.181 ( -1.189 -2.992 7.085) 7.782 16.181 ( -1.189 2.992 7.085) 7.782 16.281 ( 6.883 -4.427 -2.436) 8.539 16.281 ( 6.883 4.427 -2.436) 8.539 16.904 ( 1.013 -1.736 1.181) 2.331 16.904 ( 1.013 1.736 1.181) 2.331 17.290 ( -2.349 -4.469 -4.118) 6.515 17.290 ( -2.349 4.469 -4.118) 6.515 17.376 ( 0.240 -3.832 -1.837) 4.257 17.376 ( 0.240 3.832 -1.837) 4.257 17.557 ( -0.640 -6.094 -0.872) 6.189 17.557 ( -0.640 6.094 -0.872) 6.189 17.634 ( 0.526 -4.830 1.954) 5.237 17.634 ( 0.526 4.830 1.954) 5.237 17.759 ( -1.461 -1.478 1.386) 2.498 17.759 ( -1.461 1.478 1.386) 2.498 17.843 ( -1.120 -1.901 0.935) 2.396 17.843 ( -1.120 1.901 0.935) 2.396 17.934 ( -0.698 -3.205 1.610) 3.654 17.934 ( -0.698 3.205 1.610) 3.654 18.276 ( -1.307 -4.113 -1.892) 4.713 18.276 ( -1.307 4.113 -1.892) 4.713 18.311 ( -1.023 -2.835 -1.156) 3.228 18.311 ( -1.023 2.835 -1.156) 3.228 18.654 ( -1.656 -2.036 0.554) 2.683 18.654 ( -1.656 2.036 0.554) 2.683 18.815 ( -1.294 -1.245 -1.274) 2.202 18.815 ( -1.294 1.245 -1.274) 2.202 20.229 ( 11.640 -0.373 -0.436) 11.654 20.229 ( 11.640 0.373 -0.436) 11.654 20.274 ( 11.441 -0.354 -0.933) 11.485 20.274 ( 11.441 0.354 -0.933) 11.485 20.342 ( 18.033 -2.198 3.363) 18.475 20.342 ( 18.033 2.198 3.363) 18.475 22.079 ( -3.675 -0.192 -0.606) 3.730 22.079 ( -3.675 0.192 -0.606) 3.730 22.102 ( -2.819 -0.940 0.104) 2.973 22.102 ( -2.819 0.940 0.104) 2.973 22.200 ( -0.728 -0.776 0.436) 1.150 22.200 ( -0.728 0.776 0.436) 1.150 26.965 ( 0.177 -0.567 -0.502) 0.778 26.965 ( 0.177 0.567 -0.502) 0.778 27.020 ( -0.148 -0.267 0.263) 0.403 27.020 ( -0.148 0.267 0.263) 0.403 27.555 ( -0.630 -0.819 -1.335) 1.688 27.555 ( -0.630 0.819 -1.335) 1.688 27.577 ( -1.211 -0.675 1.530) 2.065 27.577 ( -1.211 0.675 1.530) 2.065 27.643 ( 0.212 -0.519 -0.447) 0.717 27.643 ( 0.212 0.519 -0.447) 0.717 27.897 ( -1.738 -0.024 -0.406) 1.785 27.897 ( -1.738 0.024 -0.406) 1.785 36.558 ( 1.449 -0.916 -0.016) 1.714 36.558 ( 1.449 0.916 -0.016) 1.714 36.998 ( 1.595 -1.313 -0.256) 2.081 36.998 ( 1.595 1.313 -0.256) 2.081 37.143 ( 2.093 -1.628 -3.705) 4.556 37.143 ( 2.093 1.628 -3.705) 4.556 37.253 ( 4.048 -1.059 2.612) 4.932 37.253 ( 4.048 1.059 2.612) 4.932 37.535 ( 0.733 -0.900 -7.862) 7.947 37.535 ( 0.733 0.900 -7.862) 7.947 37.907 ( 2.784 -1.582 -1.685) 3.618 37.907 ( 2.784 1.582 -1.685) 3.618 38.084 ( -0.024 -0.857 8.270) 8.314 38.084 ( -0.024 0.857 8.270) 8.314 38.262 ( -0.982 -2.787 -0.399) 2.982 38.262 ( -0.982 2.787 -0.399) 2.982 38.502 ( -1.351 -10.870 3.998) 11.660 38.502 ( -1.351 10.870 3.998) 11.660 40.121 ( -18.808 -8.181 -2.821) 20.703 40.121 ( -18.808 8.181 -2.821) 20.703 40.175 ( -14.560 -2.293 -0.344) 14.743 40.175 ( -14.560 2.293 -0.344) 14.743 40.736 ( -18.620 -3.537 -0.790) 18.970 40.736 ( -18.620 3.537 -0.790) 18.970 ======================= Grid point 161 (82/84) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 11.129 -7.321 -17.257) 21.800 1.536 ( 11.129 7.321 -17.257) 21.800 1.838 ( 9.958 -6.253 -9.817) 15.318 1.838 ( 9.958 6.253 -9.817) 15.318 2.307 ( 3.238 -1.930 2.970) 4.799 2.307 ( 3.238 1.930 2.970) 4.799 2.510 ( 3.792 -13.664 10.226) 17.483 2.510 ( 3.792 13.664 10.226) 17.483 2.622 ( 3.497 -1.523 2.435) 4.525 2.622 ( 3.497 1.523 2.435) 4.525 3.048 ( -5.330 -1.073 -2.011) 5.797 3.048 ( -5.330 1.073 -2.011) 5.797 3.153 ( -1.495 -3.956 -5.178) 6.686 3.153 ( -1.495 3.956 -5.178) 6.686 3.353 ( -0.687 -9.705 -1.868) 9.907 3.353 ( -0.687 9.705 -1.868) 9.907 3.515 ( 2.782 -8.485 -3.674) 9.656 3.515 ( 2.782 8.485 -3.674) 9.656 3.733 ( -3.253 -5.903 -1.788) 6.973 3.733 ( -3.253 5.903 -1.788) 6.973 3.997 ( -3.996 -5.349 4.288) 7.935 3.997 ( -3.996 5.349 4.288) 7.935 4.177 ( 0.028 -6.581 -2.237) 6.951 4.177 ( 0.028 6.581 -2.237) 6.951 4.320 ( 7.976 -7.050 5.763) 12.105 4.320 ( 7.976 7.050 5.763) 12.105 4.468 ( 6.153 -7.092 3.213) 9.923 4.468 ( 6.153 7.092 3.213) 9.923 4.642 ( 8.225 -9.001 -4.386) 12.958 4.642 ( 8.225 9.001 -4.386) 12.958 4.828 ( 6.826 -3.049 0.401) 7.486 4.828 ( 6.826 3.049 0.401) 7.486 5.092 ( 0.967 -2.960 2.100) 3.756 5.092 ( 0.967 2.960 2.100) 3.756 5.169 ( 5.934 -1.210 6.387) 8.802 5.169 ( 5.934 1.210 6.387) 8.802 5.249 ( 6.948 -1.030 -4.713) 8.458 5.249 ( 6.948 1.030 -4.713) 8.458 5.589 ( 1.017 -4.832 3.062) 5.810 5.589 ( 1.017 4.832 3.062) 5.810 5.756 ( 3.003 -5.618 -4.515) 7.808 5.756 ( 3.003 5.618 -4.515) 7.808 6.004 ( 3.370 -2.635 0.387) 4.295 6.004 ( 3.370 2.635 0.387) 4.295 6.065 ( 3.261 -0.496 4.355) 5.463 6.065 ( 3.261 0.496 4.355) 5.463 6.246 ( 5.426 -3.397 -3.054) 7.093 6.246 ( 5.426 3.397 -3.054) 7.093 6.455 ( 12.661 -4.440 1.662) 13.519 6.455 ( 12.661 4.440 1.662) 13.519 6.602 ( 6.227 -6.070 5.533) 10.307 6.602 ( 6.227 6.070 5.533) 10.307 6.707 ( 2.549 -2.122 -2.207) 3.984 6.707 ( 2.549 2.122 -2.207) 3.984 6.865 ( 8.748 -6.302 -0.773) 10.810 6.865 ( 8.748 6.302 -0.773) 10.810 6.913 ( -2.082 -3.499 -0.684) 4.128 6.913 ( -2.082 3.499 -0.684) 4.128 7.107 ( 5.676 -6.961 -3.603) 9.678 7.107 ( 5.676 6.961 -3.603) 9.678 7.218 ( 4.019 -0.514 5.844) 7.111 7.218 ( 4.019 0.514 5.844) 7.111 7.395 ( 4.455 -4.345 -1.125) 6.324 7.395 ( 4.455 4.345 -1.125) 6.324 7.628 ( 1.297 -1.013 0.277) 1.669 7.628 ( 1.297 1.013 0.277) 1.669 7.742 ( 0.264 -2.896 -5.005) 5.789 7.742 ( 0.264 2.896 -5.005) 5.789 7.852 ( 4.591 -3.057 -0.892) 5.587 7.852 ( 4.591 3.057 -0.892) 5.587 7.934 ( 2.189 -3.680 0.000) 4.281 7.934 ( 2.189 3.680 0.000) 4.282 8.087 ( 1.865 -4.569 3.183) 5.873 8.087 ( 1.865 4.569 3.183) 5.873 8.236 ( 4.427 -4.790 3.562) 7.432 8.236 ( 4.427 4.790 3.562) 7.432 8.339 ( 1.859 -2.732 4.209) 5.351 8.339 ( 1.859 2.732 4.209) 5.351 8.438 ( -0.197 -6.879 -4.420) 8.179 8.438 ( -0.197 6.879 -4.420) 8.179 8.600 ( 0.519 -3.224 -3.150) 4.537 8.600 ( 0.519 3.224 -3.150) 4.537 8.757 ( -0.464 -0.830 8.858) 8.909 8.757 ( -0.464 0.830 8.858) 8.909 8.835 ( -0.802 -7.778 3.283) 8.480 8.835 ( -0.802 7.778 3.283) 8.480 8.977 ( -1.940 -1.321 -2.195) 3.214 8.977 ( -1.940 1.321 -2.195) 3.214 9.108 ( -2.789 -1.916 1.232) 3.601 9.108 ( -2.789 1.916 1.232) 3.601 9.218 ( -1.227 -1.458 -0.079) 1.907 9.218 ( -1.227 1.458 -0.079) 1.907 9.379 ( -5.105 -2.481 0.425) 5.691 9.379 ( -5.105 2.481 0.425) 5.691 9.573 ( -0.512 -2.083 2.107) 3.007 9.573 ( -0.512 2.083 2.107) 3.007 9.667 ( -2.647 -6.083 -3.116) 7.329 9.667 ( -2.647 6.083 -3.116) 7.329 9.840 ( -6.166 -2.785 2.894) 7.359 9.840 ( -6.166 2.785 2.894) 7.359 9.959 ( -6.186 -5.013 -4.009) 8.914 9.959 ( -6.186 5.013 -4.009) 8.914 10.215 ( -4.874 -3.859 -0.373) 6.228 10.215 ( -4.874 3.859 -0.373) 6.228 10.520 ( -8.407 -2.538 -2.679) 9.181 10.520 ( -8.407 2.538 -2.679) 9.181 10.644 ( -10.436 -5.911 5.792) 13.319 10.644 ( -10.436 5.911 5.792) 13.319 10.898 ( -12.048 -3.725 -3.271) 13.028 10.898 ( -12.048 3.725 -3.271) 13.028 11.303 ( -10.479 -10.233 -11.765) 18.787 11.303 ( -10.479 10.233 -11.765) 18.787 11.405 ( -3.170 -5.628 5.905) 8.752 11.405 ( -3.170 5.628 5.905) 8.752 12.065 ( -4.712 -7.529 -2.982) 9.369 12.065 ( -4.712 7.529 -2.982) 9.369 12.438 ( 6.643 -2.624 3.856) 8.117 12.438 ( 6.643 2.624 3.856) 8.117 12.898 ( 4.841 -9.061 -3.592) 10.883 12.898 ( 4.841 9.061 -3.592) 10.883 13.988 ( -5.113 -4.697 0.303) 6.949 13.988 ( -5.113 4.697 0.303) 6.949 14.211 ( -4.743 -4.031 5.208) 8.116 14.211 ( -4.743 4.031 5.208) 8.116 14.546 ( -1.755 -4.100 -1.897) 4.846 14.546 ( -1.755 4.100 -1.897) 4.846 14.671 ( -3.159 -1.209 -2.430) 4.164 14.671 ( -3.159 1.209 -2.430) 4.164 16.245 ( 0.727 -1.544 8.765) 8.929 16.245 ( 0.727 1.544 8.765) 8.929 16.397 ( 6.487 -3.149 -2.184) 7.534 16.397 ( 6.487 3.149 -2.184) 7.534 16.942 ( 1.428 -2.807 1.987) 3.724 16.942 ( 1.428 2.807 1.987) 3.724 17.200 ( -1.784 -3.717 -6.725) 7.888 17.200 ( -1.784 3.717 -6.725) 7.888 17.365 ( 0.581 -3.059 -2.230) 3.830 17.365 ( 0.581 3.059 -2.230) 3.830 17.545 ( -1.168 -2.278 0.905) 2.715 17.545 ( -1.168 2.278 0.905) 2.715 17.649 ( 0.400 -2.370 -0.014) 2.404 17.649 ( 0.400 2.370 -0.014) 2.404 17.742 ( -2.070 -1.872 3.042) 4.128 17.742 ( -2.070 1.872 3.042) 4.128 17.830 ( -0.720 -3.111 0.827) 3.298 17.830 ( -0.720 3.111 0.827) 3.298 17.942 ( -0.595 -3.177 3.670) 4.891 17.942 ( -0.595 3.177 3.670) 4.891 18.230 ( -1.362 -4.387 -3.169) 5.580 18.230 ( -1.362 4.387 -3.169) 5.580 18.263 ( -2.115 -2.101 -2.858) 4.130 18.263 ( -2.115 2.101 -2.858) 4.130 18.630 ( -0.909 -2.395 0.216) 2.571 18.630 ( -0.909 2.395 0.216) 2.571 18.774 ( -1.362 -1.578 -1.853) 2.789 18.774 ( -1.362 1.578 -1.853) 2.789 20.511 ( 17.346 -0.700 -0.427) 17.365 20.511 ( 17.346 0.700 -0.427) 17.365 20.548 ( 17.638 -1.067 -2.723) 17.879 20.548 ( 17.638 1.067 -2.723) 17.879 20.833 ( 24.343 -8.139 9.584) 27.399 20.833 ( 24.343 8.139 9.584) 27.399 21.969 ( -7.198 -0.213 -0.660) 7.232 21.969 ( -7.198 0.213 -0.660) 7.232 22.015 ( -6.366 -1.618 0.148) 6.570 22.015 ( -6.366 1.618 0.148) 6.570 22.179 ( -1.930 -1.912 0.367) 2.741 22.179 ( -1.930 1.912 0.367) 2.741 26.965 ( 0.376 -0.567 -0.569) 0.887 26.965 ( 0.376 0.567 -0.569) 0.887 27.017 ( -0.358 -0.179 0.197) 0.446 27.017 ( -0.358 0.179 0.197) 0.446 27.531 ( -0.656 -0.925 -0.948) 1.478 27.531 ( -0.656 0.925 -0.948) 1.478 27.559 ( -1.655 -0.607 1.021) 2.037 27.559 ( -1.655 0.607 1.021) 2.037 27.650 ( 0.768 -0.675 -0.174) 1.037 27.650 ( 0.768 0.675 -0.174) 1.037 27.850 ( -2.501 -0.034 -0.691) 2.595 27.850 ( -2.501 0.034 -0.691) 2.595 36.601 ( 2.817 -1.521 0.654) 3.267 36.601 ( 2.817 1.521 0.654) 3.267 37.034 ( 1.845 -3.066 -0.362) 3.597 37.034 ( 1.845 3.066 -0.362) 3.597 37.167 ( 3.572 -0.428 -4.383) 5.670 37.167 ( 3.572 0.428 -4.383) 5.670 37.307 ( 0.783 -3.594 -5.241) 6.403 37.307 ( 0.783 3.594 -5.241) 6.403 37.561 ( 8.680 -1.217 -2.476) 9.108 37.561 ( 8.680 1.217 -2.476) 9.108 37.988 ( 5.173 -0.342 0.599) 5.219 37.988 ( 5.173 0.342 0.599) 5.219 38.098 ( -0.862 -4.106 -0.389) 4.213 38.098 ( -0.862 4.106 -0.389) 4.213 38.298 ( 0.994 -4.448 9.031) 10.116 38.298 ( 0.994 4.448 9.031) 10.116 38.500 ( -2.167 -13.580 3.663) 14.231 38.500 ( -2.167 13.580 3.663) 14.231 39.550 ( -31.408 -9.309 -8.840) 33.930 39.550 ( -31.408 9.309 -8.840) 33.930 39.840 ( -19.965 -2.335 -0.316) 20.104 39.840 ( -19.965 2.335 -0.316) 20.104 40.275 ( -25.825 -5.687 -2.578) 26.569 40.275 ( -25.825 5.687 -2.578) 26.569 ======================= Grid point 163 (83/84) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( 13.620 -3.889 -7.388) 15.975 1.687 ( 13.620 3.889 -7.388) 15.975 1.934 ( 7.905 -5.312 -6.541) 11.554 1.934 ( 7.905 5.312 -6.541) 11.554 2.388 ( -0.111 -2.201 -0.665) 2.302 2.388 ( -0.111 2.201 -0.665) 2.302 2.533 ( -3.069 -3.042 -3.953) 5.857 2.533 ( -3.069 3.042 -3.953) 5.857 2.635 ( -1.445 -4.828 4.449) 6.722 2.635 ( -1.445 4.828 4.449) 6.722 2.989 ( 1.938 -1.846 -4.278) 5.047 2.989 ( 1.938 1.846 -4.278) 5.047 3.112 ( -2.374 -4.137 -2.877) 5.570 3.112 ( -2.374 4.137 -2.877) 5.570 3.274 ( -4.896 -9.055 1.357) 10.382 3.274 ( -4.896 9.055 1.357) 10.382 3.517 ( 1.183 -3.684 0.929) 3.979 3.517 ( 1.183 3.684 0.929) 3.979 3.799 ( 8.114 -1.502 2.276) 8.559 3.799 ( 8.114 1.502 2.276) 8.559 3.996 ( -0.273 -7.294 1.679) 7.490 3.996 ( -0.273 7.294 1.679) 7.490 4.144 ( -2.584 -5.079 3.278) 6.574 4.144 ( -2.584 5.079 3.278) 6.574 4.415 ( 0.020 -3.082 -3.389) 4.581 4.415 ( 0.020 3.082 -3.389) 4.581 4.632 ( 4.949 -1.020 3.203) 5.983 4.632 ( 4.949 1.020 3.203) 5.983 4.749 ( 7.234 -0.757 -0.933) 7.333 4.749 ( 7.234 0.757 -0.933) 7.333 4.997 ( 8.757 -6.680 1.533) 11.120 4.997 ( 8.757 6.680 1.533) 11.120 5.106 ( 1.329 -3.535 -1.141) 3.945 5.106 ( 1.329 3.535 -1.141) 3.945 5.306 ( 4.395 -0.444 1.803) 4.771 5.306 ( 4.395 0.444 1.803) 4.771 5.423 ( 10.727 -4.572 1.120) 11.714 5.423 ( 10.727 4.572 1.120) 11.714 5.572 ( -2.700 -3.032 0.942) 4.168 5.572 ( -2.700 3.032 0.942) 4.168 5.812 ( 3.933 -6.473 -2.244) 7.900 5.812 ( 3.933 6.473 -2.244) 7.900 6.014 ( -0.996 -1.660 -1.293) 2.328 6.014 ( -0.996 1.660 -1.293) 2.328 6.182 ( 0.705 -3.378 4.472) 5.649 6.182 ( 0.705 3.378 4.472) 5.649 6.278 ( 3.068 -6.917 -0.915) 7.622 6.278 ( 3.068 6.917 -0.915) 7.622 6.628 ( 0.196 -6.285 2.162) 6.649 6.628 ( 0.196 6.285 2.162) 6.649 6.678 ( 2.226 -3.366 2.925) 4.984 6.678 ( 2.226 3.366 2.925) 4.984 6.850 ( 3.144 -4.998 4.060) 7.165 6.850 ( 3.144 4.998 4.060) 7.165 6.896 ( 7.756 -2.154 -4.816) 9.380 6.896 ( 7.756 2.154 -4.816) 9.380 7.062 ( 14.238 -7.296 -4.682) 16.670 7.062 ( 14.238 7.296 -4.682) 16.670 7.177 ( 3.998 -5.703 1.023) 7.040 7.177 ( 3.998 5.703 1.023) 7.040 7.374 ( 6.177 -8.467 -5.633) 11.898 7.374 ( 6.177 8.467 -5.633) 11.898 7.514 ( 9.041 -3.005 -0.264) 9.531 7.514 ( 9.041 3.005 -0.264) 9.531 7.631 ( -0.088 -5.853 2.076) 6.211 7.631 ( -0.088 5.853 2.076) 6.211 7.744 ( 1.769 -3.387 -1.657) 4.165 7.744 ( 1.769 3.387 -1.657) 4.165 7.889 ( 0.216 -1.785 1.131) 2.124 7.889 ( 0.216 1.785 1.131) 2.124 7.990 ( 2.506 -3.702 2.421) 5.084 7.990 ( 2.506 3.702 2.421) 5.084 8.154 ( 2.676 -5.765 1.768) 6.597 8.154 ( 2.676 5.765 1.768) 6.597 8.291 ( -1.051 -1.963 1.913) 2.935 8.291 ( -1.051 1.963 1.913) 2.935 8.356 ( -2.427 -3.907 -2.696) 5.331 8.356 ( -2.427 3.907 -2.696) 5.331 8.457 ( 3.949 -2.531 -1.344) 4.879 8.457 ( 3.949 2.531 -1.344) 4.879 8.583 ( 0.187 -2.415 0.154) 2.427 8.583 ( 0.187 2.415 0.154) 2.427 8.786 ( -1.357 -5.799 6.789) 9.031 8.786 ( -1.357 5.799 6.789) 9.031 8.855 ( 0.252 -4.430 -3.033) 5.375 8.855 ( 0.252 4.430 -3.033) 5.375 8.962 ( -0.715 -1.780 -1.403) 2.376 8.962 ( -0.715 1.780 -1.403) 2.376 9.090 ( 0.383 -3.476 6.341) 7.242 9.090 ( 0.383 3.476 6.341) 7.242 9.190 ( -2.756 -2.811 1.849) 4.349 9.190 ( -2.756 2.811 1.849) 4.349 9.311 ( -1.527 -2.695 2.197) 3.798 9.311 ( -1.527 2.695 2.197) 3.798 9.506 ( -7.608 -7.171 -2.369) 10.720 9.506 ( -7.608 7.171 -2.369) 10.720 9.580 ( -3.404 -4.694 -0.402) 5.813 9.580 ( -3.404 4.694 -0.402) 5.813 9.769 ( -5.226 -4.639 -1.310) 7.109 9.769 ( -5.226 4.639 -1.310) 7.109 9.852 ( 0.342 -4.325 2.217) 4.872 9.852 ( 0.342 4.325 2.217) 4.872 10.058 ( -10.041 -1.840 -0.337) 10.213 10.058 ( -10.041 1.840 -0.337) 10.213 10.318 ( -12.813 -3.996 0.688) 13.440 10.318 ( -12.813 3.996 0.688) 13.440 10.467 ( -6.028 -5.450 -6.463) 10.383 10.467 ( -6.028 5.450 -6.463) 10.383 10.717 ( -6.497 -2.054 5.957) 9.051 10.717 ( -6.497 2.054 5.957) 9.051 11.034 ( -7.188 -7.669 -10.061) 14.550 11.034 ( -7.188 7.669 -10.061) 14.550 11.425 ( -0.227 -3.370 5.952) 6.843 11.425 ( -0.227 3.370 5.952) 6.843 11.907 ( -7.715 -7.637 -6.531) 12.669 11.907 ( -7.715 7.637 -6.531) 12.669 12.608 ( 6.846 -2.458 5.270) 8.983 12.608 ( 6.846 2.458 5.270) 8.983 12.927 ( 0.852 -7.102 -2.008) 7.430 12.927 ( 0.852 7.102 -2.008) 7.430 13.938 ( 0.325 -2.519 -1.763) 3.092 13.938 ( 0.325 2.519 -1.763) 3.092 14.147 ( -5.684 -3.803 4.395) 8.130 14.147 ( -5.684 3.803 4.395) 8.130 14.511 ( -0.400 -2.328 -1.624) 2.867 14.511 ( -0.400 2.328 -1.624) 2.867 14.587 ( -3.207 -1.973 -2.229) 4.376 14.587 ( -3.207 1.973 -2.229) 4.376 16.340 ( 0.949 -0.553 9.694) 9.756 16.340 ( 0.949 0.553 9.694) 9.756 16.476 ( 4.333 -1.306 -4.704) 6.528 16.476 ( 4.333 1.306 -4.704) 6.528 16.986 ( 1.184 -2.469 2.276) 3.560 16.986 ( 1.184 2.469 2.276) 3.560 17.129 ( -0.158 -2.410 -5.647) 6.142 17.129 ( -0.158 2.410 -5.647) 6.142 17.367 ( 1.175 -1.322 -1.453) 2.289 17.367 ( 1.175 1.322 -1.453) 2.289 17.517 ( -2.152 -1.090 0.483) 2.460 17.517 ( -2.152 1.090 0.483) 2.460 17.653 ( 0.042 -2.860 -0.428) 2.892 17.653 ( 0.042 2.860 -0.428) 2.892 17.729 ( -1.823 -1.608 2.901) 3.785 17.729 ( -1.823 1.608 2.901) 3.785 17.842 ( 1.260 -3.008 1.104) 3.443 17.842 ( 1.260 3.008 1.104) 3.443 17.971 ( -0.193 -1.845 5.130) 5.455 17.971 ( -0.193 1.845 5.130) 5.455 18.169 ( -1.625 -3.365 -4.761) 6.053 18.169 ( -1.625 3.365 -4.761) 6.053 18.194 ( -2.097 -1.522 -2.969) 3.941 18.194 ( -2.097 1.522 -2.969) 3.941 18.622 ( -0.088 -1.697 -0.072) 1.700 18.622 ( -0.088 1.697 -0.072) 1.700 18.739 ( -0.746 -1.355 -1.434) 2.109 18.739 ( -0.746 1.355 -1.434) 2.109 20.868 ( 19.345 -1.081 -0.726) 19.388 20.868 ( 19.345 1.081 -0.726) 19.388 20.885 ( 18.966 -0.907 -2.146) 19.109 20.885 ( 18.966 0.907 -2.146) 19.109 21.342 ( 18.271 -10.859 9.416) 23.247 21.342 ( 18.271 10.859 9.416) 23.247 21.790 ( -10.951 -0.357 -0.318) 10.961 21.790 ( -10.951 0.357 -0.318) 10.961 21.862 ( -9.475 -2.108 0.947) 9.753 21.862 ( -9.475 2.108 0.947) 9.753 22.125 ( -3.819 -3.800 -0.624) 5.423 22.125 ( -3.819 3.800 -0.624) 5.423 26.970 ( 0.466 -0.249 -0.308) 0.611 26.970 ( 0.466 0.249 -0.308) 0.611 27.010 ( -0.369 -0.097 0.054) 0.386 27.010 ( -0.369 0.097 0.054) 0.386 27.518 ( -0.157 -0.725 -0.373) 0.830 27.518 ( -0.157 0.725 -0.373) 0.830 27.536 ( -1.218 -0.455 0.528) 1.403 27.536 ( -1.218 0.455 0.528) 1.403 27.669 ( 1.186 -0.390 0.200) 1.264 27.669 ( 1.186 0.390 0.200) 1.264 27.795 ( -2.419 -0.177 -0.756) 2.541 27.795 ( -2.419 0.177 -0.756) 2.541 36.681 ( 4.089 -1.447 2.559) 5.036 36.681 ( 4.089 1.447 2.559) 5.036 37.034 ( -1.057 -3.110 -2.743) 4.279 37.034 ( -1.057 3.110 -2.743) 4.279 37.196 ( 2.336 -0.389 -4.899) 5.441 37.196 ( 2.336 0.389 -4.899) 5.441 37.252 ( 0.486 -3.962 -6.059) 7.255 37.252 ( 0.486 3.962 -6.059) 7.255 37.773 ( 12.044 -0.632 -0.647) 12.078 37.773 ( 12.044 0.632 -0.647) 12.078 38.068 ( 6.125 -4.497 -3.899) 8.540 38.068 ( 6.125 4.497 -3.899) 8.540 38.136 ( 0.171 -5.940 8.997) 10.783 38.136 ( 0.171 5.940 8.997) 10.783 38.409 ( 3.034 -5.258 3.893) 7.211 38.409 ( 3.034 5.258 3.893) 7.211 38.500 ( 1.612 -6.036 3.401) 7.114 38.500 ( 1.612 6.036 3.401) 7.114 38.920 ( -21.792 -13.895 -10.227) 27.795 38.920 ( -21.792 13.895 -10.227) 27.795 39.426 ( -22.752 -3.687 1.725) 23.113 39.426 ( -22.752 3.687 1.725) 23.113 39.739 ( -26.163 -4.304 -3.890) 26.799 39.739 ( -26.163 4.304 -3.890) 26.799 ======================= Grid point 165 (84/84) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.883 ( 8.877 -5.805 -0.021) 10.607 1.883 ( 8.877 5.805 -0.021) 10.607 2.014 ( 2.005 -5.453 -5.943) 8.311 2.014 ( 2.005 5.453 -5.943) 8.311 2.305 ( -1.472 -4.233 5.467) 7.069 2.305 ( -1.472 4.233 5.467) 7.069 2.448 ( -4.801 -4.703 -8.020) 10.463 2.448 ( -4.801 4.703 -8.020) 10.463 2.636 ( -0.027 -2.675 1.385) 3.012 2.636 ( -0.027 2.675 1.385) 3.012 2.987 ( -2.215 -0.271 -2.010) 3.003 2.987 ( -2.215 0.271 -2.010) 3.003 3.060 ( 5.436 -4.700 -3.509) 7.997 3.060 ( 5.436 4.700 -3.509) 7.997 3.194 ( -6.786 -5.186 3.404) 9.194 3.194 ( -6.786 5.186 3.404) 9.194 3.641 ( 6.325 -4.158 5.336) 9.261 3.641 ( 6.325 4.158 5.336) 9.261 3.933 ( -2.772 -6.421 -0.692) 7.028 3.933 ( -2.772 6.421 -0.692) 7.028 3.963 ( 2.826 -2.975 -1.043) 4.234 3.963 ( 2.826 2.975 -1.043) 4.234 4.156 ( -0.002 -1.897 2.530) 3.163 4.156 ( -0.002 1.897 2.530) 3.163 4.412 ( 4.226 -7.198 0.494) 8.362 4.412 ( 4.226 7.198 0.494) 8.362 4.570 ( -6.679 -4.659 -4.482) 9.295 4.570 ( -6.679 4.659 -4.482) 9.295 4.950 ( 8.392 -2.529 1.994) 8.989 4.950 ( 8.392 2.529 1.994) 8.989 5.081 ( -2.160 -1.486 1.169) 2.871 5.081 ( -2.160 1.486 1.169) 2.871 5.173 ( 4.042 -2.218 1.769) 4.938 5.173 ( 4.042 2.218 1.769) 4.938 5.338 ( -0.044 -3.029 -2.540) 3.953 5.338 ( -0.044 3.029 -2.540) 3.953 5.577 ( 3.699 -2.424 1.072) 4.550 5.577 ( 3.699 2.424 1.072) 4.550 5.624 ( 6.171 -0.167 -0.304) 6.180 5.624 ( 6.171 0.167 -0.304) 6.180 5.857 ( 0.115 -4.174 3.740) 5.606 5.857 ( 0.115 4.174 3.740) 5.606 5.924 ( -4.111 -2.458 -4.596) 6.638 5.924 ( -4.111 2.458 -4.596) 6.638 6.165 ( -1.933 -1.654 1.199) 2.813 6.165 ( -1.933 1.654 1.199) 2.813 6.349 ( 1.542 -5.327 0.097) 5.547 6.349 ( 1.542 5.327 0.097) 5.547 6.644 ( 0.024 -1.510 3.829) 4.116 6.644 ( 0.024 1.510 3.829) 4.116 6.695 ( 0.188 -2.489 -0.953) 2.672 6.695 ( 0.188 2.489 -0.953) 2.672 6.873 ( -0.523 -1.383 1.188) 1.897 6.873 ( -0.523 1.383 1.188) 1.897 7.050 ( 6.388 -4.115 -1.251) 7.701 7.050 ( 6.388 4.115 -1.251) 7.701 7.213 ( 1.793 -1.854 -1.402) 2.936 7.213 ( 1.793 1.854 -1.402) 2.936 7.311 ( 4.338 -2.063 0.507) 4.830 7.311 ( 4.338 2.063 0.507) 4.830 7.382 ( 5.558 -4.319 -5.410) 8.878 7.382 ( 5.558 4.319 -5.410) 8.878 7.600 ( -1.467 -6.298 1.142) 6.567 7.600 ( -1.467 6.298 1.142) 6.567 7.722 ( 9.285 -0.295 -3.624) 9.972 7.722 ( 9.285 0.295 -3.624) 9.972 7.791 ( 3.715 -2.143 -1.796) 4.650 7.791 ( 3.715 2.143 -1.796) 4.650 7.891 ( -5.930 -2.199 4.004) 7.486 7.891 ( -5.930 2.199 4.004) 7.486 7.987 ( -2.887 -2.160 3.841) 5.269 7.987 ( -2.887 2.160 3.841) 5.269 8.208 ( -0.075 -1.719 0.925) 1.953 8.208 ( -0.075 1.719 0.925) 1.953 8.254 ( 0.000 -0.930 -2.856) 3.004 8.254 ( 0.000 0.930 -2.856) 3.004 8.356 ( 4.022 -1.376 3.340) 5.407 8.356 ( 4.022 1.376 3.340) 5.407 8.507 ( 0.082 -2.559 -1.885) 3.179 8.507 ( 0.082 2.559 -1.885) 3.179 8.619 ( 2.985 -2.094 2.999) 4.721 8.619 ( 2.985 2.094 2.999) 4.721 8.738 ( -5.129 -1.658 -1.789) 5.679 8.738 ( -5.129 1.658 -1.789) 5.679 8.858 ( 1.796 -0.676 -2.282) 2.981 8.858 ( 1.796 0.676 -2.282) 2.981 8.925 ( -0.488 -2.263 0.180) 2.322 8.925 ( -0.488 2.263 0.180) 2.322 9.121 ( -3.158 -1.351 2.272) 4.118 9.121 ( -3.158 1.351 2.272) 4.118 9.151 ( -1.372 -1.399 0.996) 2.198 9.151 ( -1.372 1.399 0.996) 2.198 9.346 ( -0.706 -4.690 -0.145) 4.745 9.346 ( -0.706 4.690 -0.145) 4.745 9.362 ( -2.428 -4.015 -0.195) 4.696 9.362 ( -2.428 4.015 -0.195) 4.696 9.556 ( 0.434 -2.326 5.547) 6.030 9.556 ( 0.434 2.326 5.547) 6.030 9.686 ( -1.629 -2.650 -3.657) 4.801 9.686 ( -1.629 2.650 -3.657) 4.801 9.840 ( 2.564 -2.862 -4.352) 5.806 9.840 ( 2.564 2.862 -4.352) 5.806 9.995 ( -4.086 -2.959 1.513) 5.267 9.995 ( -4.086 2.959 1.513) 5.267 10.060 ( -8.789 -1.827 6.412) 11.032 10.060 ( -8.789 1.827 6.412) 11.032 10.325 ( -3.675 -1.731 -6.076) 7.309 10.325 ( -3.675 1.731 -6.076) 7.309 10.706 ( -0.400 -3.812 3.939) 5.496 10.706 ( -0.400 3.812 3.939) 5.496 10.879 ( -2.318 -5.384 -4.729) 7.532 10.879 ( -2.318 5.384 -4.729) 7.532 11.494 ( 2.004 -2.261 6.317) 7.003 11.494 ( 2.004 2.261 6.317) 7.003 11.697 ( -6.367 -3.966 -7.349) 10.501 11.697 ( -6.367 3.966 -7.349) 10.501 12.769 ( 4.863 -2.062 4.428) 6.893 12.769 ( 4.863 2.062 4.428) 6.893 12.900 ( -1.796 -3.839 -2.197) 4.774 12.900 ( -1.796 3.839 -2.197) 4.774 13.952 ( 2.173 -0.228 -2.277) 3.156 13.952 ( 2.173 0.228 -2.277) 3.156 14.079 ( -3.754 -2.164 2.673) 5.091 14.079 ( -3.754 2.164 2.673) 5.091 14.498 ( 0.156 -0.155 -1.438) 1.455 14.498 ( 0.156 0.155 -1.438) 1.455 14.529 ( -1.468 -1.626 -0.042) 2.191 14.529 ( -1.468 1.626 -0.042) 2.191 16.430 ( -0.094 -0.307 9.572) 9.578 16.430 ( -0.094 0.307 9.572) 9.578 16.484 ( 1.956 -0.393 -7.885) 8.133 16.484 ( 1.956 0.393 -7.885) 8.133 17.020 ( 0.510 -0.884 1.435) 1.760 17.020 ( 0.510 0.884 1.435) 1.760 17.098 ( 0.219 -0.810 -2.384) 2.528 17.098 ( 0.219 0.810 -2.384) 2.528 17.380 ( 0.810 -0.128 -0.602) 1.018 17.380 ( 0.810 0.128 -0.602) 1.018 17.483 ( -1.240 -0.784 0.203) 1.481 17.483 ( -1.240 0.784 0.203) 1.481 17.645 ( -0.272 -1.098 -0.255) 1.160 17.645 ( -0.272 1.098 -0.255) 1.160 17.720 ( -0.667 -0.683 0.956) 1.352 17.720 ( -0.667 0.683 0.956) 1.352 17.884 ( 1.312 -1.187 1.204) 2.140 17.884 ( 1.312 1.187 1.204) 2.140 18.014 ( 0.314 -0.804 4.485) 4.567 18.014 ( 0.314 0.804 4.485) 4.567 18.096 ( -1.444 -0.823 -4.425) 4.727 18.096 ( -1.444 0.823 -4.425) 4.727 18.145 ( -0.860 -0.748 -1.637) 1.995 18.145 ( -0.860 0.748 -1.637) 1.995 18.621 ( 0.009 -0.640 -0.119) 0.651 18.621 ( 0.009 0.640 -0.119) 0.651 18.723 ( -0.168 -0.560 -0.472) 0.752 18.723 ( -0.168 0.560 -0.472) 0.752 21.215 ( 17.118 -0.878 -1.519) 17.208 21.215 ( 17.118 0.878 -1.519) 17.208 21.235 ( 17.138 -2.135 -0.004) 17.271 21.235 ( 17.138 2.135 -0.004) 17.271 21.517 ( -10.363 -1.284 1.276) 10.520 21.517 ( -10.363 1.284 1.276) 10.520 21.554 ( -12.203 -0.914 -0.530) 12.249 21.554 ( -12.203 0.914 -0.530) 12.249 21.807 ( 5.888 -6.289 6.130) 10.573 21.807 ( 5.888 6.289 6.130) 10.573 22.014 ( -6.087 -5.873 -2.781) 8.903 22.014 ( -6.087 5.873 -2.781) 8.903 26.976 ( 0.248 -0.057 -0.063) 0.262 26.976 ( 0.248 0.057 -0.063) 0.262 27.005 ( -0.171 -0.106 -0.002) 0.201 27.005 ( -0.171 0.106 -0.002) 0.201 27.516 ( 0.194 -0.507 -0.198) 0.578 27.516 ( 0.194 0.507 -0.198) 0.578 27.522 ( -0.594 -0.412 0.310) 0.787 27.522 ( -0.594 0.412 0.310) 0.787 27.697 ( 1.372 -0.056 0.398) 1.430 27.697 ( 1.372 0.056 0.398) 1.430 27.747 ( -1.804 -0.209 -0.589) 1.909 27.747 ( -1.804 0.209 -0.589) 1.909 36.801 ( 4.852 -0.589 5.244) 7.169 36.801 ( 4.852 0.589 5.244) 7.169 36.947 ( -3.929 -1.960 -5.924) 7.373 36.947 ( -3.929 1.960 -5.924) 7.373 37.153 ( -0.833 -1.666 -3.339) 3.824 37.153 ( -0.833 1.666 -3.339) 3.824 37.263 ( 1.594 -0.393 -1.107) 1.980 37.263 ( 1.594 0.393 -1.107) 1.980 37.962 ( 10.001 -7.314 -3.426) 12.855 37.962 ( 10.001 7.314 -3.426) 12.855 38.122 ( -7.470 -12.882 5.579) 15.902 38.122 ( -7.470 12.882 5.579) 15.902 38.209 ( 3.755 -1.116 2.095) 4.442 38.209 ( 3.755 1.116 2.095) 4.442 38.440 ( 0.903 -7.228 -1.833) 7.511 38.440 ( 0.903 7.228 -1.833) 7.511 38.608 ( 7.030 -1.032 -2.293) 7.466 38.608 ( 7.030 1.032 -2.293) 7.466 38.727 ( 4.692 -3.086 1.682) 5.862 38.727 ( 4.692 3.086 1.682) 5.862 39.039 ( -14.963 -2.159 3.234) 15.460 39.039 ( -14.963 2.159 3.234) 15.460 39.238 ( -20.378 -2.270 -4.671) 21.030 39.238 ( -20.378 2.270 -4.671) 21.030 =================== 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 3/44064 10.0 611.576 729.057 703.126 0.000 77.590 0.000 3/44064 20.0 73.526 84.693 77.873 0.000 5.593 0.000 3/44064 30.0 23.336 26.439 24.264 0.000 1.845 0.000 3/44064 40.0 11.332 12.688 11.653 0.000 0.912 0.000 3/44064 50.0 6.861 7.580 6.990 0.000 0.552 0.000 3/44064 60.0 4.732 5.152 4.780 0.000 0.377 0.000 3/44064 70.0 3.550 3.809 3.558 0.000 0.280 0.000 3/44064 80.0 2.823 2.985 2.807 0.000 0.219 0.000 3/44064 90.0 2.340 2.440 2.310 0.000 0.179 0.000 3/44064 100.0 2.000 2.060 1.961 0.000 0.151 0.000 3/44064 110.0 1.750 1.781 1.705 0.000 0.131 0.000 3/44064 120.0 1.559 1.569 1.509 0.000 0.115 0.000 3/44064 130.0 1.410 1.404 1.356 0.000 0.103 0.000 3/44064 140.0 1.290 1.271 1.233 0.000 0.093 0.000 3/44064 150.0 1.193 1.163 1.132 0.000 0.085 0.000 3/44064 160.0 1.112 1.073 1.048 0.000 0.078 0.000 3/44064 170.0 1.044 0.996 0.976 0.000 0.072 0.000 3/44064 180.0 0.987 0.931 0.915 0.000 0.067 0.000 3/44064 190.0 0.938 0.874 0.862 0.000 0.063 0.000 3/44064 200.0 0.896 0.825 0.815 0.000 0.059 0.000 3/44064 210.0 0.859 0.781 0.774 0.000 0.056 0.000 3/44064 220.0 0.827 0.742 0.738 0.000 0.053 0.000 3/44064 230.0 0.798 0.708 0.705 0.000 0.050 0.000 3/44064 240.0 0.773 0.676 0.676 0.000 0.048 0.000 3/44064 250.0 0.751 0.648 0.649 0.000 0.046 0.000 3/44064 260.0 0.731 0.622 0.624 0.000 0.044 0.000 3/44064 270.0 0.713 0.599 0.602 0.000 0.042 0.000 3/44064 280.0 0.697 0.577 0.582 0.000 0.041 0.000 3/44064 290.0 0.682 0.558 0.563 0.000 0.039 0.000 3/44064 300.0 0.669 0.539 0.546 0.000 0.038 0.000 3/44064 310.0 0.656 0.522 0.529 0.000 0.036 0.000 3/44064 320.0 0.645 0.507 0.514 0.000 0.035 0.000 3/44064 330.0 0.635 0.492 0.500 0.000 0.034 0.000 3/44064 340.0 0.625 0.478 0.487 0.000 0.033 0.000 3/44064 350.0 0.616 0.465 0.475 0.000 0.032 0.000 3/44064 360.0 0.608 0.453 0.463 0.000 0.031 0.000 3/44064 370.0 0.600 0.442 0.452 0.000 0.030 0.000 3/44064 380.0 0.592 0.431 0.442 0.000 0.030 0.000 3/44064 390.0 0.585 0.421 0.432 0.000 0.029 0.000 3/44064 400.0 0.579 0.412 0.423 0.000 0.028 0.000 3/44064 410.0 0.573 0.403 0.414 0.000 0.028 0.000 3/44064 420.0 0.567 0.394 0.406 0.000 0.027 0.000 3/44064 430.0 0.561 0.386 0.398 0.000 0.026 0.000 3/44064 440.0 0.555 0.378 0.390 0.000 0.026 0.000 3/44064 450.0 0.550 0.371 0.383 0.000 0.025 0.000 3/44064 460.0 0.545 0.364 0.376 0.000 0.025 0.000 3/44064 470.0 0.540 0.357 0.370 0.000 0.024 0.000 3/44064 480.0 0.536 0.350 0.363 0.000 0.024 0.000 3/44064 490.0 0.531 0.344 0.357 0.000 0.023 0.000 3/44064 500.0 0.527 0.338 0.351 0.000 0.023 0.000 3/44064 510.0 0.522 0.332 0.346 0.000 0.022 0.000 3/44064 520.0 0.518 0.327 0.340 0.000 0.022 0.000 3/44064 530.0 0.514 0.322 0.335 0.000 0.022 0.000 3/44064 540.0 0.510 0.317 0.330 0.000 0.021 0.000 3/44064 550.0 0.506 0.312 0.325 0.000 0.021 0.000 3/44064 560.0 0.502 0.307 0.320 0.000 0.021 0.000 3/44064 570.0 0.499 0.302 0.316 0.000 0.020 0.000 3/44064 580.0 0.495 0.298 0.311 0.000 0.020 0.000 3/44064 590.0 0.491 0.294 0.307 0.000 0.020 0.000 3/44064 600.0 0.488 0.290 0.303 0.000 0.019 0.000 3/44064 610.0 0.484 0.286 0.299 0.000 0.019 0.000 3/44064 620.0 0.481 0.282 0.295 0.000 0.019 0.000 3/44064 630.0 0.477 0.278 0.291 0.000 0.018 0.000 3/44064 640.0 0.474 0.274 0.288 0.000 0.018 0.000 3/44064 650.0 0.471 0.271 0.284 0.000 0.018 0.000 3/44064 660.0 0.468 0.267 0.281 0.000 0.018 0.000 3/44064 670.0 0.464 0.264 0.277 0.000 0.017 0.000 3/44064 680.0 0.461 0.261 0.274 0.000 0.017 0.000 3/44064 690.0 0.458 0.258 0.271 0.000 0.017 0.000 3/44064 700.0 0.455 0.255 0.268 0.000 0.017 0.000 3/44064 710.0 0.452 0.252 0.265 0.000 0.017 0.000 3/44064 720.0 0.449 0.249 0.262 0.000 0.016 0.000 3/44064 730.0 0.446 0.246 0.259 0.000 0.016 0.000 3/44064 740.0 0.443 0.243 0.256 0.000 0.016 0.000 3/44064 750.0 0.440 0.240 0.253 0.000 0.016 0.000 3/44064 760.0 0.437 0.238 0.251 0.000 0.016 0.000 3/44064 770.0 0.435 0.235 0.248 0.000 0.015 0.000 3/44064 780.0 0.432 0.233 0.246 0.000 0.015 0.000 3/44064 790.0 0.429 0.230 0.243 0.000 0.015 0.000 3/44064 800.0 0.426 0.228 0.241 0.000 0.015 0.000 3/44064 810.0 0.424 0.225 0.238 0.000 0.015 0.000 3/44064 820.0 0.421 0.223 0.236 0.000 0.015 0.000 3/44064 830.0 0.418 0.221 0.234 0.000 0.014 0.000 3/44064 840.0 0.416 0.219 0.231 0.000 0.014 0.000 3/44064 850.0 0.413 0.216 0.229 0.000 0.014 0.000 3/44064 860.0 0.410 0.214 0.227 0.000 0.014 0.000 3/44064 870.0 0.408 0.212 0.225 0.000 0.014 0.000 3/44064 880.0 0.405 0.210 0.223 0.000 0.014 0.000 3/44064 890.0 0.403 0.208 0.221 0.000 0.014 0.000 3/44064 900.0 0.401 0.206 0.219 0.000 0.013 0.000 3/44064 910.0 0.398 0.204 0.217 0.000 0.013 0.000 3/44064 920.0 0.396 0.203 0.215 0.000 0.013 0.000 3/44064 930.0 0.393 0.201 0.213 0.000 0.013 0.000 3/44064 940.0 0.391 0.199 0.211 0.000 0.013 0.000 3/44064 950.0 0.389 0.197 0.209 0.000 0.013 0.000 3/44064 960.0 0.386 0.195 0.208 0.000 0.013 0.000 3/44064 970.0 0.384 0.194 0.206 0.000 0.013 0.000 3/44064 980.0 0.382 0.192 0.204 0.000 0.012 0.000 3/44064 990.0 0.380 0.190 0.202 0.000 0.012 0.000 3/44064 1000.0 0.377 0.189 0.201 0.000 0.012 0.000 3/44064 Thermal conductivity related properties were written into "kappa-m946.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:22:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|