----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 10:10:34]------------------------- 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 7.259601510090405 0.000000000000000 0.000000000000000 b 0.000000000000000 13.173650719999999 0.000000000000000 c -7.156937496739456 0.000000000000000 9.927269557765310 Atomic positions (fractional): *1 Nd 0.96371102689196 0.21754668081702 0.97785633573261 144.242 2 Nd 0.03628897310804 0.71754668081702 0.52214366426739 144.242 3 Nd 0.03628897310804 0.78245331918298 0.02214366426739 144.242 4 Nd 0.96371102689196 0.28245331918298 0.47785633573261 144.242 *5 Ag 0.56646731980232 0.27563310897864 0.56677733928144 107.868 6 Ag 0.43353268019768 0.77563310897864 0.93322266071856 107.868 7 Ag 0.43353268019768 0.72436689102136 0.43322266071856 107.868 8 Ag 0.56646731980232 0.22436689102136 0.06677733928144 107.868 *9 P 0.49269956642601 0.39932775199298 0.74401578336276 30.974 10 P 0.50730043357399 0.89932775199298 0.75598421663724 30.974 11 P 0.50730043357399 0.60067224800702 0.25598421663724 30.974 12 P 0.49269956642601 0.10067224800702 0.24401578336276 30.974 *13 P 0.93160143171686 0.08993870141409 0.70040662053801 30.974 14 P 0.06839856828314 0.58993870141409 0.79959337946199 30.974 15 P 0.06839856828314 0.91006129858591 0.29959337946199 30.974 16 P 0.93160143171686 0.41006129858591 0.20040662053801 30.974 *17 P 0.38567950619134 0.11444317972483 0.76527725825716 30.974 18 P 0.61432049380867 0.61444317972483 0.73472274174284 30.974 19 P 0.61432049380867 0.88555682027517 0.23472274174284 30.974 20 P 0.38567950619134 0.38555682027517 0.26527725825716 30.974 *21 P 0.15989684897780 0.37263836371469 0.80589407685941 30.974 22 P 0.84010315102220 0.87263836371469 0.69410592314059 30.974 23 P 0.84010315102220 0.62736163628531 0.19410592314059 30.974 24 P 0.15989684897780 0.12736163628531 0.30589407685941 30.974 *25 O 0.42226138344388 0.01338565993766 0.70889531352481 15.999 26 O 0.57773861655612 0.51338565993766 0.79110468647519 15.999 27 O 0.57773861655612 0.98661434006234 0.29110468647519 15.999 28 O 0.42226138344388 0.48661434006234 0.20889531352481 15.999 *29 O 0.69919681877888 0.33388551471090 0.79613055192066 15.999 30 O 0.30080318122112 0.83388551471090 0.70386944807934 15.999 31 O 0.30080318122112 0.66611448528910 0.20386944807934 15.999 32 O 0.69919681877888 0.16611448528910 0.29613055192066 15.999 *33 O 0.40679391104737 0.37744237333855 0.83599629046177 15.999 34 O 0.59320608895263 0.87744237333855 0.66400370953823 15.999 35 O 0.59320608895263 0.62255762666145 0.16400370953823 15.999 36 O 0.40679391104737 0.12255762666145 0.33599629046177 15.999 *37 O 0.30395066195289 0.39357554714290 0.59614909375597 15.999 38 O 0.69604933804711 0.89357554714290 0.90385090624403 15.999 39 O 0.69604933804711 0.60642445285710 0.40385090624403 15.999 40 O 0.30395066195289 0.10642445285710 0.09614909375597 15.999 *41 O 0.14727400792770 0.47860605285906 0.86600875376199 15.999 42 O 0.85272599207230 0.97860605285906 0.63399124623801 15.999 43 O 0.85272599207230 0.52139394714094 0.13399124623801 15.999 44 O 0.14727400792770 0.02139394714094 0.36600875376199 15.999 *45 O 0.20360951301152 0.07999544431223 0.79241673132845 15.999 46 O 0.79639048698849 0.57999544431223 0.70758326867155 15.999 47 O 0.79639048698849 0.92000455568777 0.20758326867155 15.999 48 O 0.20360951301152 0.42000455568777 0.29241673132845 15.999 *49 O 0.86371836089016 0.10858897220191 0.79295076637717 15.999 50 O 0.13628163910984 0.60858897220191 0.70704923362283 15.999 51 O 0.13628163910984 0.89141102779809 0.20704923362283 15.999 52 O 0.86371836089016 0.39141102779809 0.29295076637717 15.999 *53 O 0.84816066591995 0.16155068767994 0.58469194748616 15.999 54 O 0.15183933408005 0.66155068767994 0.91530805251384 15.999 55 O 0.15183933408005 0.83844931232006 0.41530805251384 15.999 56 O 0.84816066591995 0.33844931232006 0.08469194748616 15.999 *57 O 0.59699152012117 0.14367263872623 0.89954112452899 15.999 58 O 0.40300847987882 0.64367263872623 0.60045887547101 15.999 59 O 0.40300847987882 0.85632736127377 0.10045887547101 15.999 60 O 0.59699152012117 0.35632736127377 0.39954112452899 15.999 *61 O 0.28426626016747 0.19019737248304 0.65371707145056 15.999 62 O 0.71573373983253 0.69019737248304 0.84628292854944 15.999 63 O 0.71573373983253 0.80980262751696 0.34628292854944 15.999 64 O 0.28426626016747 0.30980262751697 0.15371707145056 15.999 *65 O 0.17668107963154 0.29012872896940 0.89604452601582 15.999 66 O 0.82331892036846 0.79012872896940 0.60395547398418 15.999 67 O 0.82331892036846 0.70987127103060 0.10395547398418 15.999 68 O 0.17668107963154 0.20987127103060 0.39604452601582 15.999 *69 O 0.97987910906856 0.36754658337788 0.65744863968080 15.999 70 O 0.02012089093144 0.86754658337788 0.84255136031920 15.999 71 O 0.02012089093144 0.63245341662212 0.34255136031920 15.999 72 O 0.97987910906856 0.13245341662212 0.15744863968080 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.259601510090405 0.000000000000000 0.000000000000000 b 0.000000000000000 13.173650719999999 0.000000000000000 c -7.156937496739456 0.000000000000000 9.927269557765310 Atomic positions (fractional): *1 Nd 0.96371102689196 0.21754668081702 0.97785633573261 144.242 > 1 2 Nd 0.03628897310804 0.71754668081702 0.52214366426739 144.242 > 2 3 Nd 0.03628897310804 0.78245331918298 0.02214366426739 144.242 > 3 4 Nd 0.96371102689196 0.28245331918298 0.47785633573261 144.242 > 4 *5 Ag 0.56646731980232 0.27563310897864 0.56677733928144 107.868 > 5 6 Ag 0.43353268019768 0.77563310897864 0.93322266071856 107.868 > 6 7 Ag 0.43353268019768 0.72436689102136 0.43322266071856 107.868 > 7 8 Ag 0.56646731980232 0.22436689102136 0.06677733928144 107.868 > 8 *9 P 0.49269956642601 0.39932775199298 0.74401578336276 30.974 > 9 10 P 0.50730043357399 0.89932775199298 0.75598421663724 30.974 > 10 11 P 0.50730043357399 0.60067224800702 0.25598421663724 30.974 > 11 12 P 0.49269956642601 0.10067224800702 0.24401578336276 30.974 > 12 *13 P 0.93160143171686 0.08993870141409 0.70040662053801 30.974 > 13 14 P 0.06839856828314 0.58993870141409 0.79959337946199 30.974 > 14 15 P 0.06839856828314 0.91006129858591 0.29959337946199 30.974 > 15 16 P 0.93160143171686 0.41006129858591 0.20040662053801 30.974 > 16 *17 P 0.38567950619134 0.11444317972483 0.76527725825716 30.974 > 17 18 P 0.61432049380867 0.61444317972483 0.73472274174284 30.974 > 18 19 P 0.61432049380867 0.88555682027517 0.23472274174284 30.974 > 19 20 P 0.38567950619134 0.38555682027517 0.26527725825716 30.974 > 20 *21 P 0.15989684897780 0.37263836371469 0.80589407685941 30.974 > 21 22 P 0.84010315102220 0.87263836371469 0.69410592314059 30.974 > 22 23 P 0.84010315102220 0.62736163628531 0.19410592314059 30.974 > 23 24 P 0.15989684897780 0.12736163628531 0.30589407685941 30.974 > 24 *25 O 0.42226138344388 0.01338565993766 0.70889531352481 15.999 > 25 26 O 0.57773861655612 0.51338565993766 0.79110468647519 15.999 > 26 27 O 0.57773861655612 0.98661434006234 0.29110468647519 15.999 > 27 28 O 0.42226138344388 0.48661434006234 0.20889531352481 15.999 > 28 *29 O 0.69919681877888 0.33388551471090 0.79613055192066 15.999 > 29 30 O 0.30080318122112 0.83388551471090 0.70386944807934 15.999 > 30 31 O 0.30080318122112 0.66611448528910 0.20386944807934 15.999 > 31 32 O 0.69919681877888 0.16611448528910 0.29613055192066 15.999 > 32 *33 O 0.40679391104737 0.37744237333855 0.83599629046177 15.999 > 33 34 O 0.59320608895263 0.87744237333855 0.66400370953823 15.999 > 34 35 O 0.59320608895263 0.62255762666145 0.16400370953823 15.999 > 35 36 O 0.40679391104737 0.12255762666145 0.33599629046177 15.999 > 36 *37 O 0.30395066195289 0.39357554714290 0.59614909375597 15.999 > 37 38 O 0.69604933804711 0.89357554714290 0.90385090624403 15.999 > 38 39 O 0.69604933804711 0.60642445285710 0.40385090624403 15.999 > 39 40 O 0.30395066195289 0.10642445285710 0.09614909375597 15.999 > 40 *41 O 0.14727400792770 0.47860605285906 0.86600875376199 15.999 > 41 42 O 0.85272599207230 0.97860605285906 0.63399124623801 15.999 > 42 43 O 0.85272599207230 0.52139394714094 0.13399124623801 15.999 > 43 44 O 0.14727400792770 0.02139394714094 0.36600875376199 15.999 > 44 *45 O 0.20360951301152 0.07999544431223 0.79241673132845 15.999 > 45 46 O 0.79639048698849 0.57999544431223 0.70758326867155 15.999 > 46 47 O 0.79639048698849 0.92000455568777 0.20758326867155 15.999 > 47 48 O 0.20360951301152 0.42000455568777 0.29241673132845 15.999 > 48 *49 O 0.86371836089016 0.10858897220191 0.79295076637717 15.999 > 49 50 O 0.13628163910984 0.60858897220191 0.70704923362283 15.999 > 50 51 O 0.13628163910984 0.89141102779809 0.20704923362283 15.999 > 51 52 O 0.86371836089016 0.39141102779809 0.29295076637717 15.999 > 52 *53 O 0.84816066591995 0.16155068767994 0.58469194748616 15.999 > 53 54 O 0.15183933408005 0.66155068767994 0.91530805251384 15.999 > 54 55 O 0.15183933408005 0.83844931232006 0.41530805251384 15.999 > 55 56 O 0.84816066591995 0.33844931232006 0.08469194748616 15.999 > 56 *57 O 0.59699152012117 0.14367263872623 0.89954112452899 15.999 > 57 58 O 0.40300847987882 0.64367263872623 0.60045887547101 15.999 > 58 59 O 0.40300847987882 0.85632736127377 0.10045887547101 15.999 > 59 60 O 0.59699152012117 0.35632736127377 0.39954112452899 15.999 > 60 *61 O 0.28426626016747 0.19019737248304 0.65371707145056 15.999 > 61 62 O 0.71573373983253 0.69019737248304 0.84628292854944 15.999 > 62 63 O 0.71573373983253 0.80980262751696 0.34628292854944 15.999 > 63 64 O 0.28426626016747 0.30980262751697 0.15371707145056 15.999 > 64 *65 O 0.17668107963154 0.29012872896940 0.89604452601582 15.999 > 65 66 O 0.82331892036846 0.79012872896940 0.60395547398418 15.999 > 66 67 O 0.82331892036846 0.70987127103060 0.10395547398418 15.999 > 67 68 O 0.17668107963154 0.20987127103060 0.39604452601582 15.999 > 68 *69 O 0.97987910906856 0.36754658337788 0.65744863968080 15.999 > 69 70 O 0.02012089093144 0.86754658337788 0.84255136031920 15.999 > 70 71 O 0.02012089093144 0.63245341662212 0.34255136031920 15.999 > 71 72 O 0.97987910906856 0.13245341662212 0.15744863968080 15.999 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.519203020180811 0.000000000000000 0.000000000000000 b 0.000000000000000 13.173650719999999 0.000000000000000 c -7.156937496739456 0.000000000000000 9.927269557765310 Atomic positions (fractional): *1 Nd 0.48185551344598 0.21754668081702 0.97785633573261 144.242 > 1 2 Nd 0.98185551344598 0.21754668081702 0.97785633573261 144.242 > 1 3 Nd 0.01814448655402 0.71754668081702 0.52214366426739 144.242 > 2 4 Nd 0.51814448655402 0.71754668081702 0.52214366426739 144.242 > 2 5 Nd 0.01814448655402 0.78245331918298 0.02214366426739 144.242 > 3 6 Nd 0.51814448655402 0.78245331918298 0.02214366426739 144.242 > 3 7 Nd 0.48185551344598 0.28245331918298 0.47785633573261 144.242 > 4 8 Nd 0.98185551344598 0.28245331918298 0.47785633573261 144.242 > 4 *9 Ag 0.28323365990116 0.27563310897864 0.56677733928144 107.868 > 5 10 Ag 0.78323365990116 0.27563310897864 0.56677733928144 107.868 > 5 11 Ag 0.21676634009884 0.77563310897864 0.93322266071856 107.868 > 6 12 Ag 0.71676634009884 0.77563310897864 0.93322266071856 107.868 > 6 13 Ag 0.21676634009884 0.72436689102136 0.43322266071856 107.868 > 7 14 Ag 0.71676634009884 0.72436689102136 0.43322266071856 107.868 > 7 15 Ag 0.28323365990116 0.22436689102136 0.06677733928144 107.868 > 8 16 Ag 0.78323365990116 0.22436689102136 0.06677733928144 107.868 > 8 *17 P 0.24634978321301 0.39932775199298 0.74401578336276 30.974 > 9 18 P 0.74634978321301 0.39932775199298 0.74401578336276 30.974 > 9 19 P 0.25365021678699 0.89932775199298 0.75598421663724 30.974 > 10 20 P 0.75365021678699 0.89932775199298 0.75598421663724 30.974 > 10 21 P 0.25365021678699 0.60067224800702 0.25598421663724 30.974 > 11 22 P 0.75365021678699 0.60067224800702 0.25598421663724 30.974 > 11 23 P 0.24634978321301 0.10067224800702 0.24401578336276 30.974 > 12 24 P 0.74634978321301 0.10067224800702 0.24401578336276 30.974 > 12 *25 P 0.46580071585843 0.08993870141409 0.70040662053801 30.974 > 13 26 P 0.96580071585843 0.08993870141409 0.70040662053801 30.974 > 13 27 P 0.03419928414157 0.58993870141409 0.79959337946199 30.974 > 14 28 P 0.53419928414157 0.58993870141409 0.79959337946199 30.974 > 14 29 P 0.03419928414157 0.91006129858591 0.29959337946199 30.974 > 15 30 P 0.53419928414157 0.91006129858591 0.29959337946199 30.974 > 15 31 P 0.46580071585843 0.41006129858591 0.20040662053801 30.974 > 16 32 P 0.96580071585843 0.41006129858591 0.20040662053801 30.974 > 16 *33 P 0.19283975309567 0.11444317972483 0.76527725825716 30.974 > 17 34 P 0.69283975309567 0.11444317972483 0.76527725825716 30.974 > 17 35 P 0.30716024690433 0.61444317972483 0.73472274174284 30.974 > 18 36 P 0.80716024690433 0.61444317972483 0.73472274174284 30.974 > 18 37 P 0.30716024690433 0.88555682027517 0.23472274174284 30.974 > 19 38 P 0.80716024690433 0.88555682027517 0.23472274174284 30.974 > 19 39 P 0.19283975309567 0.38555682027517 0.26527725825716 30.974 > 20 40 P 0.69283975309567 0.38555682027517 0.26527725825716 30.974 > 20 *41 P 0.07994842448890 0.37263836371469 0.80589407685941 30.974 > 21 42 P 0.57994842448890 0.37263836371469 0.80589407685941 30.974 > 21 43 P 0.42005157551110 0.87263836371469 0.69410592314059 30.974 > 22 44 P 0.92005157551110 0.87263836371469 0.69410592314059 30.974 > 22 45 P 0.42005157551110 0.62736163628531 0.19410592314059 30.974 > 23 46 P 0.92005157551110 0.62736163628531 0.19410592314059 30.974 > 23 47 P 0.07994842448890 0.12736163628531 0.30589407685941 30.974 > 24 48 P 0.57994842448890 0.12736163628531 0.30589407685941 30.974 > 24 *49 O 0.21113069172194 0.01338565993766 0.70889531352481 15.999 > 25 50 O 0.71113069172194 0.01338565993766 0.70889531352481 15.999 > 25 51 O 0.28886930827806 0.51338565993766 0.79110468647519 15.999 > 26 52 O 0.78886930827806 0.51338565993766 0.79110468647519 15.999 > 26 53 O 0.28886930827806 0.98661434006234 0.29110468647519 15.999 > 27 54 O 0.78886930827806 0.98661434006234 0.29110468647519 15.999 > 27 55 O 0.21113069172194 0.48661434006234 0.20889531352481 15.999 > 28 56 O 0.71113069172194 0.48661434006234 0.20889531352481 15.999 > 28 *57 O 0.34959840938944 0.33388551471090 0.79613055192066 15.999 > 29 58 O 0.84959840938944 0.33388551471090 0.79613055192066 15.999 > 29 59 O 0.15040159061056 0.83388551471090 0.70386944807934 15.999 > 30 60 O 0.65040159061056 0.83388551471090 0.70386944807934 15.999 > 30 61 O 0.15040159061056 0.66611448528910 0.20386944807934 15.999 > 31 62 O 0.65040159061056 0.66611448528910 0.20386944807934 15.999 > 31 63 O 0.34959840938944 0.16611448528910 0.29613055192066 15.999 > 32 64 O 0.84959840938944 0.16611448528910 0.29613055192066 15.999 > 32 *65 O 0.20339695552369 0.37744237333855 0.83599629046177 15.999 > 33 66 O 0.70339695552369 0.37744237333855 0.83599629046177 15.999 > 33 67 O 0.29660304447631 0.87744237333855 0.66400370953823 15.999 > 34 68 O 0.79660304447631 0.87744237333855 0.66400370953823 15.999 > 34 69 O 0.29660304447631 0.62255762666145 0.16400370953823 15.999 > 35 70 O 0.79660304447631 0.62255762666145 0.16400370953823 15.999 > 35 71 O 0.20339695552369 0.12255762666145 0.33599629046177 15.999 > 36 72 O 0.70339695552369 0.12255762666145 0.33599629046177 15.999 > 36 *73 O 0.15197533097644 0.39357554714290 0.59614909375597 15.999 > 37 74 O 0.65197533097644 0.39357554714290 0.59614909375597 15.999 > 37 75 O 0.34802466902356 0.89357554714290 0.90385090624403 15.999 > 38 76 O 0.84802466902356 0.89357554714290 0.90385090624403 15.999 > 38 77 O 0.34802466902356 0.60642445285710 0.40385090624403 15.999 > 39 78 O 0.84802466902356 0.60642445285710 0.40385090624403 15.999 > 39 79 O 0.15197533097644 0.10642445285710 0.09614909375597 15.999 > 40 80 O 0.65197533097644 0.10642445285710 0.09614909375597 15.999 > 40 *81 O 0.07363700396385 0.47860605285906 0.86600875376199 15.999 > 41 82 O 0.57363700396385 0.47860605285906 0.86600875376199 15.999 > 41 83 O 0.42636299603615 0.97860605285906 0.63399124623801 15.999 > 42 84 O 0.92636299603615 0.97860605285906 0.63399124623801 15.999 > 42 85 O 0.42636299603615 0.52139394714094 0.13399124623801 15.999 > 43 86 O 0.92636299603615 0.52139394714094 0.13399124623801 15.999 > 43 87 O 0.07363700396385 0.02139394714094 0.36600875376199 15.999 > 44 88 O 0.57363700396385 0.02139394714094 0.36600875376199 15.999 > 44 *89 O 0.10180475650576 0.07999544431223 0.79241673132845 15.999 > 45 90 O 0.60180475650576 0.07999544431223 0.79241673132845 15.999 > 45 91 O 0.39819524349424 0.57999544431223 0.70758326867155 15.999 > 46 92 O 0.89819524349424 0.57999544431223 0.70758326867155 15.999 > 46 93 O 0.39819524349424 0.92000455568777 0.20758326867155 15.999 > 47 94 O 0.89819524349424 0.92000455568777 0.20758326867155 15.999 > 47 95 O 0.10180475650576 0.42000455568777 0.29241673132845 15.999 > 48 96 O 0.60180475650576 0.42000455568777 0.29241673132845 15.999 > 48 *97 O 0.43185918044508 0.10858897220191 0.79295076637717 15.999 > 49 98 O 0.93185918044508 0.10858897220191 0.79295076637717 15.999 > 49 99 O 0.06814081955492 0.60858897220191 0.70704923362283 15.999 > 50 100 O 0.56814081955492 0.60858897220191 0.70704923362283 15.999 > 50 101 O 0.06814081955492 0.89141102779809 0.20704923362283 15.999 > 51 102 O 0.56814081955492 0.89141102779809 0.20704923362283 15.999 > 51 103 O 0.43185918044508 0.39141102779809 0.29295076637717 15.999 > 52 104 O 0.93185918044508 0.39141102779809 0.29295076637717 15.999 > 52 *105 O 0.42408033295997 0.16155068767994 0.58469194748616 15.999 > 53 106 O 0.92408033295997 0.16155068767994 0.58469194748616 15.999 > 53 107 O 0.07591966704003 0.66155068767994 0.91530805251384 15.999 > 54 108 O 0.57591966704003 0.66155068767994 0.91530805251384 15.999 > 54 109 O 0.07591966704003 0.83844931232006 0.41530805251384 15.999 > 55 110 O 0.57591966704003 0.83844931232006 0.41530805251384 15.999 > 55 111 O 0.42408033295997 0.33844931232006 0.08469194748616 15.999 > 56 112 O 0.92408033295997 0.33844931232006 0.08469194748616 15.999 > 56 *113 O 0.29849576006059 0.14367263872623 0.89954112452899 15.999 > 57 114 O 0.79849576006059 0.14367263872623 0.89954112452899 15.999 > 57 115 O 0.20150423993941 0.64367263872623 0.60045887547101 15.999 > 58 116 O 0.70150423993941 0.64367263872623 0.60045887547101 15.999 > 58 117 O 0.20150423993941 0.85632736127377 0.10045887547101 15.999 > 59 118 O 0.70150423993941 0.85632736127377 0.10045887547101 15.999 > 59 119 O 0.29849576006059 0.35632736127377 0.39954112452899 15.999 > 60 120 O 0.79849576006059 0.35632736127377 0.39954112452899 15.999 > 60 *121 O 0.14213313008373 0.19019737248304 0.65371707145056 15.999 > 61 122 O 0.64213313008373 0.19019737248304 0.65371707145056 15.999 > 61 123 O 0.35786686991627 0.69019737248304 0.84628292854944 15.999 > 62 124 O 0.85786686991627 0.69019737248304 0.84628292854944 15.999 > 62 125 O 0.35786686991627 0.80980262751696 0.34628292854944 15.999 > 63 126 O 0.85786686991627 0.80980262751696 0.34628292854944 15.999 > 63 127 O 0.14213313008373 0.30980262751697 0.15371707145056 15.999 > 64 128 O 0.64213313008373 0.30980262751697 0.15371707145056 15.999 > 64 *129 O 0.08834053981577 0.29012872896940 0.89604452601582 15.999 > 65 130 O 0.58834053981577 0.29012872896940 0.89604452601582 15.999 > 65 131 O 0.41165946018423 0.79012872896940 0.60395547398418 15.999 > 66 132 O 0.91165946018423 0.79012872896940 0.60395547398418 15.999 > 66 133 O 0.41165946018423 0.70987127103060 0.10395547398418 15.999 > 67 134 O 0.91165946018423 0.70987127103060 0.10395547398418 15.999 > 67 135 O 0.08834053981577 0.20987127103060 0.39604452601582 15.999 > 68 136 O 0.58834053981577 0.20987127103060 0.39604452601582 15.999 > 68 *137 O 0.48993955453428 0.36754658337788 0.65744863968080 15.999 > 69 138 O 0.98993955453428 0.36754658337788 0.65744863968080 15.999 > 69 139 O 0.01006044546572 0.86754658337788 0.84255136031920 15.999 > 70 140 O 0.51006044546572 0.86754658337788 0.84255136031920 15.999 > 70 141 O 0.01006044546572 0.63245341662212 0.34255136031920 15.999 > 71 142 O 0.51006044546572 0.63245341662212 0.34255136031920 15.999 > 71 143 O 0.48993955453428 0.13245341662212 0.15744863968080 15.999 > 72 144 O 0.98993955453428 0.13245341662212 0.15744863968080 15.999 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9768400 0.0000000 0.0033024 0.0000000 2.9051274 0.0000000 0.0033045 0.0000000 2.9561261 -------------------------- Born effective charges -------------------------- 1 Nd 4.2462005 -0.2029615 0.0096720 0.1874574 3.5481303 0.0877444 0.0573336 0.0373518 4.8988157 2 Nd 4.2462005 0.2029615 0.0096720 -0.1874574 3.5481303 -0.0877444 0.0573336 -0.0373518 4.8988157 3 Nd 4.2462005 -0.2029615 0.0096720 0.1874574 3.5481303 0.0877444 0.0573336 0.0373518 4.8988157 4 Nd 4.2462005 0.2029615 0.0096720 -0.1874574 3.5481303 -0.0877444 0.0573336 -0.0373518 4.8988157 5 Ag 1.4962705 -0.0901441 -0.0648187 -0.0074930 1.0986515 0.1118209 0.0115810 0.0347546 1.4796685 6 Ag 1.4962705 0.0901441 -0.0648187 0.0074930 1.0986515 -0.1118209 0.0115810 -0.0347546 1.4796685 7 Ag 1.4962705 -0.0901441 -0.0648187 -0.0074930 1.0986515 0.1118209 0.0115810 0.0347546 1.4796685 8 Ag 1.4962705 0.0901441 -0.0648187 0.0074930 1.0986515 -0.1118209 0.0115810 -0.0347546 1.4796685 9 P 3.8412496 0.2672017 -0.1650118 -0.0234764 4.1554233 0.7303947 0.1025662 -0.1424837 2.9890961 10 P 3.8412496 -0.2672017 -0.1650118 0.0234764 4.1554233 -0.7303947 0.1025662 0.1424837 2.9890961 11 P 3.8412496 0.2672017 -0.1650118 -0.0234764 4.1554233 0.7303947 0.1025662 -0.1424837 2.9890961 12 P 3.8412496 -0.2672017 -0.1650118 0.0234764 4.1554233 -0.7303947 0.1025662 0.1424837 2.9890961 13 P 3.6504936 0.2426169 0.4840529 0.0238314 4.1011933 0.2718238 -0.3463234 -0.4504552 3.1017729 14 P 3.6504936 -0.2426169 0.4840529 -0.0238314 4.1011933 -0.2718238 -0.3463234 0.4504552 3.1017729 15 P 3.6504936 0.2426169 0.4840529 0.0238314 4.1011933 0.2718238 -0.3463234 -0.4504552 3.1017729 16 P 3.6504936 -0.2426169 0.4840529 -0.0238314 4.1011933 -0.2718238 -0.3463234 0.4504552 3.1017729 17 P 3.7579371 -0.0853902 0.0602607 -0.3158501 4.1488297 0.4956472 0.5745568 -0.2236738 3.3729821 18 P 3.7579371 0.0853902 0.0602607 0.3158501 4.1488297 -0.4956472 0.5745568 0.2236738 3.3729821 19 P 3.7579371 -0.0853902 0.0602607 -0.3158501 4.1488297 0.4956472 0.5745568 -0.2236738 3.3729821 20 P 3.7579371 0.0853902 0.0602607 0.3158501 4.1488297 -0.4956472 0.5745568 0.2236738 3.3729821 21 P 3.6574185 -0.0419922 -0.0780196 -0.1137092 3.9551971 0.5233154 -0.3433031 -0.5868603 3.2722675 22 P 3.6574185 0.0419922 -0.0780196 0.1137092 3.9551971 -0.5233154 -0.3433031 0.5868603 3.2722675 23 P 3.6574185 -0.0419922 -0.0780196 -0.1137092 3.9551971 0.5233154 -0.3433031 -0.5868603 3.2722675 24 P 3.6574185 0.0419922 -0.0780196 0.1137092 3.9551971 -0.5233154 -0.3433031 0.5868603 3.2722675 25 O -1.2573365 0.9478961 0.0342363 0.8151621 -3.4721741 -0.0356942 -0.0488004 -0.0820638 -0.9457163 26 O -1.2573365 -0.9478961 0.0342363 -0.8151621 -3.4721741 0.0356942 -0.0488004 0.0820638 -0.9457163 27 O -1.2573365 0.9478961 0.0342363 0.8151621 -3.4721741 -0.0356942 -0.0488004 -0.0820638 -0.9457163 28 O -1.2573365 -0.9478961 0.0342363 -0.8151621 -3.4721741 0.0356942 -0.0488004 0.0820638 -0.9457163 29 O -1.7072241 0.5686876 -0.3873159 0.5962409 -1.6423773 0.3096066 -0.3512670 0.4754303 -1.6759131 30 O -1.7072241 -0.5686876 -0.3873159 -0.5962409 -1.6423773 -0.3096066 -0.3512670 -0.4754303 -1.6759131 31 O -1.7072241 0.5686876 -0.3873159 0.5962409 -1.6423773 0.3096066 -0.3512670 0.4754303 -1.6759131 32 O -1.7072241 -0.5686876 -0.3873159 -0.5962409 -1.6423773 -0.3096066 -0.3512670 -0.4754303 -1.6759131 33 O -3.1338454 -0.2884592 0.4414870 -0.1687066 -0.9879072 -0.0277556 0.3863599 0.1786705 -1.2054291 34 O -3.1338454 0.2884592 0.4414870 0.1687066 -0.9879072 0.0277556 0.3863599 -0.1786705 -1.2054291 35 O -3.1338454 -0.2884592 0.4414870 -0.1687066 -0.9879072 -0.0277556 0.3863599 0.1786705 -1.2054291 36 O -3.1338454 0.2884592 0.4414870 0.1687066 -0.9879072 0.0277556 0.3863599 -0.1786705 -1.2054291 37 O -1.4611517 -0.1374200 -0.2833212 -0.1552913 -1.3549077 -0.5744286 -0.3862133 -0.3037210 -1.8607648 38 O -1.4611517 0.1374200 -0.2833212 0.1552913 -1.3549077 0.5744286 -0.3862133 0.3037210 -1.8607648 39 O -1.4611517 -0.1374200 -0.2833212 -0.1552913 -1.3549077 -0.5744286 -0.3862133 -0.3037210 -1.8607648 40 O -1.4611517 0.1374200 -0.2833212 0.1552913 -1.3549077 0.5744286 -0.3862133 0.3037210 -1.8607648 41 O -1.0485024 0.7149060 0.0579960 0.4511510 -3.3311482 0.0221960 0.1442690 0.0673345 -1.0183052 42 O -1.0485024 -0.7149060 0.0579960 -0.4511510 -3.3311482 -0.0221960 0.1442690 -0.0673345 -1.0183052 43 O -1.0485024 0.7149060 0.0579960 0.4511510 -3.3311482 0.0221960 0.1442690 0.0673345 -1.0183052 44 O -1.0485024 -0.7149060 0.0579960 -0.4511510 -3.3311482 -0.0221960 0.1442690 -0.0673345 -1.0183052 45 O -3.1065806 -0.2784740 -0.5590816 -0.1954069 -1.0897004 -0.0084851 -0.4271642 0.1315974 -1.0942707 46 O -3.1065806 0.2784740 -0.5590816 0.1954069 -1.0897004 0.0084851 -0.4271642 -0.1315974 -1.0942707 47 O -3.1065806 -0.2784740 -0.5590816 -0.1954069 -1.0897004 -0.0084851 -0.4271642 0.1315974 -1.0942707 48 O -3.1065806 0.2784740 -0.5590816 0.1954069 -1.0897004 0.0084851 -0.4271642 -0.1315974 -1.0942707 49 O -1.6428644 0.2528994 0.6488760 0.3546702 -1.4687991 -0.5535214 0.6372924 -0.3524807 -1.7770134 50 O -1.6428644 -0.2528994 0.6488760 -0.3546702 -1.4687991 0.5535214 0.6372924 0.3524807 -1.7770134 51 O -1.6428644 0.2528994 0.6488760 0.3546702 -1.4687991 -0.5535214 0.6372924 -0.3524807 -1.7770134 52 O -1.6428644 -0.2528994 0.6488760 -0.3546702 -1.4687991 0.5535214 0.6372924 0.3524807 -1.7770134 53 O -1.3964956 -0.1206764 0.1120363 -0.1583961 -1.7357968 0.6725384 0.2645252 0.7350725 -1.6818001 54 O -1.3964956 0.1206764 0.1120363 0.1583961 -1.7357968 -0.6725384 0.2645252 -0.7350725 -1.6818001 55 O -1.3964956 -0.1206764 0.1120363 -0.1583961 -1.7357968 0.6725384 0.2645252 0.7350725 -1.6818001 56 O -1.3964956 0.1206764 0.1120363 0.1583961 -1.7357968 -0.6725384 0.2645252 -0.7350725 -1.6818001 57 O -1.6975979 -0.2323274 -0.4879502 -0.2743309 -1.2940767 -0.6481818 -0.5386124 -0.4230188 -2.0027360 58 O -1.6975979 0.2323274 -0.4879502 0.2743309 -1.2940767 0.6481818 -0.5386124 0.4230188 -2.0027360 59 O -1.6975979 -0.2323274 -0.4879502 -0.2743309 -1.2940767 -0.6481818 -0.5386124 -0.4230188 -2.0027360 60 O -1.6975979 0.2323274 -0.4879502 0.2743309 -1.2940767 0.6481818 -0.5386124 0.4230188 -2.0027360 61 O -1.2449230 0.0309516 -0.1660456 0.1052809 -1.7280059 0.6845163 -0.2677809 0.7753199 -1.9594534 62 O -1.2449230 -0.0309516 -0.1660456 -0.1052809 -1.7280059 -0.6845163 -0.2677809 -0.7753199 -1.9594534 63 O -1.2449230 0.0309516 -0.1660456 0.1052809 -1.7280059 0.6845163 -0.2677809 0.7753199 -1.9594534 64 O -1.2449230 -0.0309516 -0.1660456 -0.1052809 -1.7280059 -0.6845163 -0.2677809 -0.7753199 -1.9594534 65 O -1.6669284 -0.4028834 0.3255991 -0.3680195 -1.6464324 0.5335360 0.3639998 0.7388018 -1.6789130 66 O -1.6669284 0.4028834 0.3255991 0.3680195 -1.6464324 -0.5335360 0.3639998 -0.7388018 -1.6789130 67 O -1.6669284 -0.4028834 0.3255991 -0.3680195 -1.6464324 0.5335360 0.3639998 0.7388018 -1.6789130 68 O -1.6669284 0.4028834 0.3255991 0.3680195 -1.6464324 -0.5335360 0.3639998 -0.7388018 -1.6789130 69 O -1.2861199 0.0264974 0.0173483 0.0667943 -1.2560994 -0.6425761 0.1669807 -0.2694997 -2.2142879 70 O -1.2861199 -0.0264974 0.0173483 -0.0667943 -1.2560994 0.6425761 0.1669807 0.2694997 -2.2142879 71 O -1.2861199 0.0264974 0.0173483 0.0667943 -1.2560994 -0.6425761 0.1669807 -0.2694997 -2.2142879 72 O -1.2861199 -0.0264974 0.0173483 -0.0667943 -1.2560994 0.6425761 0.1669807 0.2694997 -2.2142879 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 56 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 160 (1) Compute compressed projector. (1) Use standard solver. (1) 124 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 56 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 160 (1) Compute compressed projector. (1) Use standard solver. (1) 124 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (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) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 124), data: (2592, 160) @ (160, 124) |-- (592, 556), data: False |-- (592, 32), data: (592, 68) @ (68, 32) |-- (92, 56), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 124), data: (2592, 160) @ (160, 124) |-- (592, 556), data: False |-- (592, 32), data: (592, 68) @ (68, 32) |-- (92, 56), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.005 Solver_block: 100 / 2160 - Time: 6.185 Solver_block: 200 / 2160 - Time: 7.009 Solver_block: 300 / 2160 - Time: 6.898 Solver_block: 400 / 2160 - Time: 7.413 Solver_block: 500 / 2160 - Time: 7.694 Solver_block: 600 / 2160 - Time: 5.573 Solver_block: 700 / 2160 - Time: 7.410 Solver_block: 800 / 2160 - Time: 7.120 Solver_block: 900 / 2160 - Time: 6.579 Solver_block: 1000 / 2160 - Time: 6.644 Solver_block: 1100 / 2160 - Time: 5.816 Solver_block: 1200 / 2160 - Time: 7.176 Solver_block: 1300 / 2160 - Time: 6.916 Solver_block: 1400 / 2160 - Time: 7.025 Solver_block: 1500 / 2160 - Time: 6.363 Solver_block: 1600 / 2160 - Time: 5.561 Solver_block: 1700 / 2160 - Time: 5.309 Solver_block: 1800 / 2160 - Time: 4.977 Solver_block: 1900 / 2160 - Time: 5.180 Solver_block: 2000 / 2160 - Time: 4.876 Solver_block: 2100 / 2160 - Time: 5.214 Solver_block: 2160 / 2160 - Time: 2.417 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 138.472 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11880 Number of blocks in projector: 11880 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 56 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 160 (1) Compute compressed projector. (1) Use standard solver. (1) 124 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 56 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 556 eigenvectors found. (1) Complementary block size: 160 (1) Compute compressed projector. (1) Use standard solver. (1) 124 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (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) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 221 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 54 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 471 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 227 eigenvectors found. (2) Block: 500 / 500 (2) 229 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 21 eigenvectors found. (1) 477 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 233 eigenvectors found. (2) Block: 500 / 592 (2) 237 eigenvectors found. (2) Block: 592 / 592 (2) 85 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 575 eigenvectors found. (1) Complementary block size: 137 (1) Compute compressed projector. (1) Use standard solver. (1) 102 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1368 Use submatrix version of eigh solver. (1) Block: 500 / 1368 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1368 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1368 / 1368 (1) 350 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. Tree of FC basis block matrices: - (11880, 11719), data: False |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1368, 1350), data: False |-- (1368, 33), data: (1368, 51) @ (51, 33) |-- (368, 350), data: True |-- (500, 485), data: False |-- (500, 12), data: (500, 27) @ (27, 12) |-- (250, 238), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2557), data: False |-- (2592, 102), data: (2592, 137) @ (137, 102) |-- (592, 575), data: False |-- (592, 20), data: (592, 37) @ (37, 20) |-- (92, 85), data: True |-- (250, 237), data: True |-- (250, 233), data: True |-- (500, 477), data: False |-- (500, 21), data: (500, 44) @ (44, 21) |-- (250, 229), data: True |-- (250, 227), data: True |-- (500, 471), data: False |-- (500, 25), data: (500, 54) @ (54, 25) |-- (250, 225), data: True |-- (250, 221), data: True |-- (500, 467), data: False |-- (500, 31), data: (500, 64) @ (64, 31) |-- (250, 219), data: True |-- (250, 217), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2592, 2556), data: False |-- (2592, 124), data: (2592, 160) @ (160, 124) |-- (592, 556), data: False |-- (592, 32), data: (592, 68) @ (68, 32) |-- (92, 56), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True |-- (2592, 2556), data: False |-- (2592, 124), data: (2592, 160) @ (160, 124) |-- (592, 556), data: False |-- (592, 32), data: (592, 68) @ (68, 32) |-- (92, 56), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), 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 10:15:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:15:54]------------------------- 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 7.259601510090405 0.000000000000000 0.000000000000000 b 0.000000000000000 13.173650719999999 0.000000000000000 c -7.156937496739456 0.000000000000000 9.927269557765310 Atomic positions (fractional): 1 Nd 0.96371102689196 0.21754668081702 0.97785633573261 144.242 2 Nd 0.03628897310804 0.71754668081702 0.52214366426739 144.242 3 Nd 0.03628897310804 0.78245331918298 0.02214366426739 144.242 4 Nd 0.96371102689196 0.28245331918298 0.47785633573261 144.242 5 Ag 0.56646731980232 0.27563310897864 0.56677733928144 107.868 6 Ag 0.43353268019768 0.77563310897864 0.93322266071856 107.868 7 Ag 0.43353268019768 0.72436689102136 0.43322266071856 107.868 8 Ag 0.56646731980232 0.22436689102136 0.06677733928144 107.868 9 P 0.49269956642601 0.39932775199298 0.74401578336276 30.974 10 P 0.50730043357399 0.89932775199298 0.75598421663724 30.974 11 P 0.50730043357399 0.60067224800702 0.25598421663724 30.974 12 P 0.49269956642601 0.10067224800702 0.24401578336276 30.974 13 P 0.93160143171686 0.08993870141409 0.70040662053801 30.974 14 P 0.06839856828314 0.58993870141409 0.79959337946199 30.974 15 P 0.06839856828314 0.91006129858591 0.29959337946199 30.974 16 P 0.93160143171686 0.41006129858591 0.20040662053801 30.974 17 P 0.38567950619134 0.11444317972483 0.76527725825716 30.974 18 P 0.61432049380867 0.61444317972483 0.73472274174284 30.974 19 P 0.61432049380867 0.88555682027517 0.23472274174284 30.974 20 P 0.38567950619134 0.38555682027517 0.26527725825716 30.974 21 P 0.15989684897780 0.37263836371469 0.80589407685941 30.974 22 P 0.84010315102220 0.87263836371469 0.69410592314059 30.974 23 P 0.84010315102220 0.62736163628531 0.19410592314059 30.974 24 P 0.15989684897780 0.12736163628531 0.30589407685941 30.974 25 O 0.42226138344388 0.01338565993766 0.70889531352481 15.999 26 O 0.57773861655612 0.51338565993766 0.79110468647519 15.999 27 O 0.57773861655612 0.98661434006234 0.29110468647519 15.999 28 O 0.42226138344388 0.48661434006234 0.20889531352481 15.999 29 O 0.69919681877888 0.33388551471090 0.79613055192066 15.999 30 O 0.30080318122112 0.83388551471090 0.70386944807934 15.999 31 O 0.30080318122112 0.66611448528910 0.20386944807934 15.999 32 O 0.69919681877888 0.16611448528910 0.29613055192066 15.999 33 O 0.40679391104737 0.37744237333855 0.83599629046177 15.999 34 O 0.59320608895263 0.87744237333855 0.66400370953823 15.999 35 O 0.59320608895263 0.62255762666145 0.16400370953823 15.999 36 O 0.40679391104737 0.12255762666145 0.33599629046177 15.999 37 O 0.30395066195289 0.39357554714290 0.59614909375597 15.999 38 O 0.69604933804711 0.89357554714290 0.90385090624403 15.999 39 O 0.69604933804711 0.60642445285710 0.40385090624403 15.999 40 O 0.30395066195289 0.10642445285710 0.09614909375597 15.999 41 O 0.14727400792770 0.47860605285906 0.86600875376199 15.999 42 O 0.85272599207230 0.97860605285906 0.63399124623801 15.999 43 O 0.85272599207230 0.52139394714094 0.13399124623801 15.999 44 O 0.14727400792770 0.02139394714094 0.36600875376199 15.999 45 O 0.20360951301152 0.07999544431223 0.79241673132845 15.999 46 O 0.79639048698849 0.57999544431223 0.70758326867155 15.999 47 O 0.79639048698849 0.92000455568777 0.20758326867155 15.999 48 O 0.20360951301152 0.42000455568777 0.29241673132845 15.999 49 O 0.86371836089016 0.10858897220191 0.79295076637717 15.999 50 O 0.13628163910984 0.60858897220191 0.70704923362283 15.999 51 O 0.13628163910984 0.89141102779809 0.20704923362283 15.999 52 O 0.86371836089016 0.39141102779809 0.29295076637717 15.999 53 O 0.84816066591995 0.16155068767994 0.58469194748616 15.999 54 O 0.15183933408005 0.66155068767994 0.91530805251384 15.999 55 O 0.15183933408005 0.83844931232006 0.41530805251384 15.999 56 O 0.84816066591995 0.33844931232006 0.08469194748616 15.999 57 O 0.59699152012117 0.14367263872623 0.89954112452899 15.999 58 O 0.40300847987882 0.64367263872623 0.60045887547101 15.999 59 O 0.40300847987882 0.85632736127377 0.10045887547101 15.999 60 O 0.59699152012117 0.35632736127377 0.39954112452899 15.999 61 O 0.28426626016747 0.19019737248304 0.65371707145056 15.999 62 O 0.71573373983253 0.69019737248304 0.84628292854944 15.999 63 O 0.71573373983253 0.80980262751696 0.34628292854944 15.999 64 O 0.28426626016747 0.30980262751697 0.15371707145056 15.999 65 O 0.17668107963154 0.29012872896940 0.89604452601582 15.999 66 O 0.82331892036846 0.79012872896940 0.60395547398418 15.999 67 O 0.82331892036846 0.70987127103060 0.10395547398418 15.999 68 O 0.17668107963154 0.20987127103060 0.39604452601582 15.999 69 O 0.97987910906856 0.36754658337788 0.65744863968080 15.999 70 O 0.02012089093144 0.86754658337788 0.84255136031920 15.999 71 O 0.02012089093144 0.63245341662212 0.34255136031920 15.999 72 O 0.97987910906856 0.13245341662212 0.15744863968080 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.519203020180811 0.000000000000000 0.000000000000000 b 0.000000000000000 13.173650719999999 0.000000000000000 c -7.156937496739456 0.000000000000000 9.927269557765310 Atomic positions (fractional): 1 Nd 0.48185551344598 0.21754668081702 0.97785633573261 144.242 > 1 2 Nd 0.98185551344598 0.21754668081702 0.97785633573261 144.242 > 1 3 Nd 0.01814448655402 0.71754668081702 0.52214366426739 144.242 > 3 4 Nd 0.51814448655402 0.71754668081702 0.52214366426739 144.242 > 3 5 Nd 0.01814448655402 0.78245331918298 0.02214366426739 144.242 > 5 6 Nd 0.51814448655402 0.78245331918298 0.02214366426739 144.242 > 5 7 Nd 0.48185551344598 0.28245331918298 0.47785633573261 144.242 > 7 8 Nd 0.98185551344598 0.28245331918298 0.47785633573261 144.242 > 7 9 Ag 0.28323365990116 0.27563310897864 0.56677733928144 107.868 > 9 10 Ag 0.78323365990116 0.27563310897864 0.56677733928144 107.868 > 9 11 Ag 0.21676634009884 0.77563310897864 0.93322266071856 107.868 > 11 12 Ag 0.71676634009884 0.77563310897864 0.93322266071856 107.868 > 11 13 Ag 0.21676634009884 0.72436689102136 0.43322266071856 107.868 > 13 14 Ag 0.71676634009884 0.72436689102136 0.43322266071856 107.868 > 13 15 Ag 0.28323365990116 0.22436689102136 0.06677733928144 107.868 > 15 16 Ag 0.78323365990116 0.22436689102136 0.06677733928144 107.868 > 15 17 P 0.24634978321301 0.39932775199298 0.74401578336276 30.974 > 17 18 P 0.74634978321301 0.39932775199298 0.74401578336276 30.974 > 17 19 P 0.25365021678699 0.89932775199298 0.75598421663724 30.974 > 19 20 P 0.75365021678699 0.89932775199298 0.75598421663724 30.974 > 19 21 P 0.25365021678699 0.60067224800702 0.25598421663724 30.974 > 21 22 P 0.75365021678699 0.60067224800702 0.25598421663724 30.974 > 21 23 P 0.24634978321301 0.10067224800702 0.24401578336276 30.974 > 23 24 P 0.74634978321301 0.10067224800702 0.24401578336276 30.974 > 23 25 P 0.46580071585843 0.08993870141409 0.70040662053801 30.974 > 25 26 P 0.96580071585843 0.08993870141409 0.70040662053801 30.974 > 25 27 P 0.03419928414157 0.58993870141409 0.79959337946199 30.974 > 27 28 P 0.53419928414157 0.58993870141409 0.79959337946199 30.974 > 27 29 P 0.03419928414157 0.91006129858591 0.29959337946199 30.974 > 29 30 P 0.53419928414157 0.91006129858591 0.29959337946199 30.974 > 29 31 P 0.46580071585843 0.41006129858591 0.20040662053801 30.974 > 31 32 P 0.96580071585843 0.41006129858591 0.20040662053801 30.974 > 31 33 P 0.19283975309567 0.11444317972483 0.76527725825716 30.974 > 33 34 P 0.69283975309567 0.11444317972483 0.76527725825716 30.974 > 33 35 P 0.30716024690433 0.61444317972483 0.73472274174284 30.974 > 35 36 P 0.80716024690433 0.61444317972483 0.73472274174284 30.974 > 35 37 P 0.30716024690433 0.88555682027517 0.23472274174284 30.974 > 37 38 P 0.80716024690433 0.88555682027517 0.23472274174284 30.974 > 37 39 P 0.19283975309567 0.38555682027517 0.26527725825716 30.974 > 39 40 P 0.69283975309567 0.38555682027517 0.26527725825716 30.974 > 39 41 P 0.07994842448890 0.37263836371469 0.80589407685941 30.974 > 41 42 P 0.57994842448890 0.37263836371469 0.80589407685941 30.974 > 41 43 P 0.42005157551110 0.87263836371469 0.69410592314059 30.974 > 43 44 P 0.92005157551110 0.87263836371469 0.69410592314059 30.974 > 43 45 P 0.42005157551110 0.62736163628531 0.19410592314059 30.974 > 45 46 P 0.92005157551110 0.62736163628531 0.19410592314059 30.974 > 45 47 P 0.07994842448890 0.12736163628531 0.30589407685941 30.974 > 47 48 P 0.57994842448890 0.12736163628531 0.30589407685941 30.974 > 47 49 O 0.21113069172194 0.01338565993766 0.70889531352481 15.999 > 49 50 O 0.71113069172194 0.01338565993766 0.70889531352481 15.999 > 49 51 O 0.28886930827806 0.51338565993766 0.79110468647519 15.999 > 51 52 O 0.78886930827806 0.51338565993766 0.79110468647519 15.999 > 51 53 O 0.28886930827806 0.98661434006234 0.29110468647519 15.999 > 53 54 O 0.78886930827806 0.98661434006234 0.29110468647519 15.999 > 53 55 O 0.21113069172194 0.48661434006234 0.20889531352481 15.999 > 55 56 O 0.71113069172194 0.48661434006234 0.20889531352481 15.999 > 55 57 O 0.34959840938944 0.33388551471090 0.79613055192066 15.999 > 57 58 O 0.84959840938944 0.33388551471090 0.79613055192066 15.999 > 57 59 O 0.15040159061056 0.83388551471090 0.70386944807934 15.999 > 59 60 O 0.65040159061056 0.83388551471090 0.70386944807934 15.999 > 59 61 O 0.15040159061056 0.66611448528910 0.20386944807934 15.999 > 61 62 O 0.65040159061056 0.66611448528910 0.20386944807934 15.999 > 61 63 O 0.34959840938944 0.16611448528910 0.29613055192066 15.999 > 63 64 O 0.84959840938944 0.16611448528910 0.29613055192066 15.999 > 63 65 O 0.20339695552369 0.37744237333855 0.83599629046177 15.999 > 65 66 O 0.70339695552369 0.37744237333855 0.83599629046177 15.999 > 65 67 O 0.29660304447631 0.87744237333855 0.66400370953823 15.999 > 67 68 O 0.79660304447631 0.87744237333855 0.66400370953823 15.999 > 67 69 O 0.29660304447631 0.62255762666145 0.16400370953823 15.999 > 69 70 O 0.79660304447631 0.62255762666145 0.16400370953823 15.999 > 69 71 O 0.20339695552369 0.12255762666145 0.33599629046177 15.999 > 71 72 O 0.70339695552369 0.12255762666145 0.33599629046177 15.999 > 71 73 O 0.15197533097644 0.39357554714290 0.59614909375597 15.999 > 73 74 O 0.65197533097644 0.39357554714290 0.59614909375597 15.999 > 73 75 O 0.34802466902356 0.89357554714290 0.90385090624403 15.999 > 75 76 O 0.84802466902356 0.89357554714290 0.90385090624403 15.999 > 75 77 O 0.34802466902356 0.60642445285710 0.40385090624403 15.999 > 77 78 O 0.84802466902356 0.60642445285710 0.40385090624403 15.999 > 77 79 O 0.15197533097644 0.10642445285710 0.09614909375597 15.999 > 79 80 O 0.65197533097644 0.10642445285710 0.09614909375597 15.999 > 79 81 O 0.07363700396385 0.47860605285906 0.86600875376199 15.999 > 81 82 O 0.57363700396385 0.47860605285906 0.86600875376199 15.999 > 81 83 O 0.42636299603615 0.97860605285906 0.63399124623801 15.999 > 83 84 O 0.92636299603615 0.97860605285906 0.63399124623801 15.999 > 83 85 O 0.42636299603615 0.52139394714094 0.13399124623801 15.999 > 85 86 O 0.92636299603615 0.52139394714094 0.13399124623801 15.999 > 85 87 O 0.07363700396385 0.02139394714094 0.36600875376199 15.999 > 87 88 O 0.57363700396385 0.02139394714094 0.36600875376199 15.999 > 87 89 O 0.10180475650576 0.07999544431223 0.79241673132845 15.999 > 89 90 O 0.60180475650576 0.07999544431223 0.79241673132845 15.999 > 89 91 O 0.39819524349424 0.57999544431223 0.70758326867155 15.999 > 91 92 O 0.89819524349424 0.57999544431223 0.70758326867155 15.999 > 91 93 O 0.39819524349424 0.92000455568777 0.20758326867155 15.999 > 93 94 O 0.89819524349424 0.92000455568777 0.20758326867155 15.999 > 93 95 O 0.10180475650576 0.42000455568777 0.29241673132845 15.999 > 95 96 O 0.60180475650576 0.42000455568777 0.29241673132845 15.999 > 95 97 O 0.43185918044508 0.10858897220191 0.79295076637717 15.999 > 97 98 O 0.93185918044508 0.10858897220191 0.79295076637717 15.999 > 97 99 O 0.06814081955492 0.60858897220191 0.70704923362283 15.999 > 99 100 O 0.56814081955492 0.60858897220191 0.70704923362283 15.999 > 99 101 O 0.06814081955492 0.89141102779809 0.20704923362283 15.999 > 101 102 O 0.56814081955492 0.89141102779809 0.20704923362283 15.999 > 101 103 O 0.43185918044508 0.39141102779809 0.29295076637717 15.999 > 103 104 O 0.93185918044508 0.39141102779809 0.29295076637717 15.999 > 103 105 O 0.42408033295997 0.16155068767994 0.58469194748616 15.999 > 105 106 O 0.92408033295997 0.16155068767994 0.58469194748616 15.999 > 105 107 O 0.07591966704003 0.66155068767994 0.91530805251384 15.999 > 107 108 O 0.57591966704003 0.66155068767994 0.91530805251384 15.999 > 107 109 O 0.07591966704003 0.83844931232006 0.41530805251384 15.999 > 109 110 O 0.57591966704003 0.83844931232006 0.41530805251384 15.999 > 109 111 O 0.42408033295997 0.33844931232006 0.08469194748616 15.999 > 111 112 O 0.92408033295997 0.33844931232006 0.08469194748616 15.999 > 111 113 O 0.29849576006059 0.14367263872623 0.89954112452899 15.999 > 113 114 O 0.79849576006059 0.14367263872623 0.89954112452899 15.999 > 113 115 O 0.20150423993941 0.64367263872623 0.60045887547101 15.999 > 115 116 O 0.70150423993941 0.64367263872623 0.60045887547101 15.999 > 115 117 O 0.20150423993941 0.85632736127377 0.10045887547101 15.999 > 117 118 O 0.70150423993941 0.85632736127377 0.10045887547101 15.999 > 117 119 O 0.29849576006059 0.35632736127377 0.39954112452899 15.999 > 119 120 O 0.79849576006059 0.35632736127377 0.39954112452899 15.999 > 119 121 O 0.14213313008373 0.19019737248304 0.65371707145056 15.999 > 121 122 O 0.64213313008373 0.19019737248304 0.65371707145056 15.999 > 121 123 O 0.35786686991627 0.69019737248304 0.84628292854944 15.999 > 123 124 O 0.85786686991627 0.69019737248304 0.84628292854944 15.999 > 123 125 O 0.35786686991627 0.80980262751696 0.34628292854944 15.999 > 125 126 O 0.85786686991627 0.80980262751696 0.34628292854944 15.999 > 125 127 O 0.14213313008373 0.30980262751697 0.15371707145056 15.999 > 127 128 O 0.64213313008373 0.30980262751697 0.15371707145056 15.999 > 127 129 O 0.08834053981577 0.29012872896940 0.89604452601582 15.999 > 129 130 O 0.58834053981577 0.29012872896940 0.89604452601582 15.999 > 129 131 O 0.41165946018423 0.79012872896940 0.60395547398418 15.999 > 131 132 O 0.91165946018423 0.79012872896940 0.60395547398418 15.999 > 131 133 O 0.41165946018423 0.70987127103060 0.10395547398418 15.999 > 133 134 O 0.91165946018423 0.70987127103060 0.10395547398418 15.999 > 133 135 O 0.08834053981577 0.20987127103060 0.39604452601582 15.999 > 135 136 O 0.58834053981577 0.20987127103060 0.39604452601582 15.999 > 135 137 O 0.48993955453428 0.36754658337788 0.65744863968080 15.999 > 137 138 O 0.98993955453428 0.36754658337788 0.65744863968080 15.999 > 137 139 O 0.01006044546572 0.86754658337788 0.84255136031920 15.999 > 139 140 O 0.51006044546572 0.86754658337788 0.84255136031920 15.999 > 139 141 O 0.01006044546572 0.63245341662212 0.34255136031920 15.999 > 141 142 O 0.51006044546572 0.63245341662212 0.34255136031920 15.999 > 141 143 O 0.48993955453428 0.13245341662212 0.15744863968080 15.999 > 143 144 O 0.98993955453428 0.13245341662212 0.15744863968080 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.9768400 0.0000000 0.0033024 0.0000000 2.9051274 0.0000000 0.0033045 0.0000000 2.9561261 -------------------------- Born effective charges -------------------------- 1 Nd 4.2462005 -0.2029615 0.0096720 0.1874574 3.5481303 0.0877444 0.0573336 0.0373518 4.8988157 2 Nd 4.2462005 0.2029615 0.0096720 -0.1874574 3.5481303 -0.0877444 0.0573336 -0.0373518 4.8988157 3 Nd 4.2462005 -0.2029615 0.0096720 0.1874574 3.5481303 0.0877444 0.0573336 0.0373518 4.8988157 4 Nd 4.2462005 0.2029615 0.0096720 -0.1874574 3.5481303 -0.0877444 0.0573336 -0.0373518 4.8988157 5 Ag 1.4962705 -0.0901441 -0.0648187 -0.0074930 1.0986515 0.1118209 0.0115810 0.0347546 1.4796685 6 Ag 1.4962705 0.0901441 -0.0648187 0.0074930 1.0986515 -0.1118209 0.0115810 -0.0347546 1.4796685 7 Ag 1.4962705 -0.0901441 -0.0648187 -0.0074930 1.0986515 0.1118209 0.0115810 0.0347546 1.4796685 8 Ag 1.4962705 0.0901441 -0.0648187 0.0074930 1.0986515 -0.1118209 0.0115810 -0.0347546 1.4796685 9 P 3.8412496 0.2672017 -0.1650118 -0.0234764 4.1554233 0.7303947 0.1025662 -0.1424837 2.9890961 10 P 3.8412496 -0.2672017 -0.1650118 0.0234764 4.1554233 -0.7303947 0.1025662 0.1424837 2.9890961 11 P 3.8412496 0.2672017 -0.1650118 -0.0234764 4.1554233 0.7303947 0.1025662 -0.1424837 2.9890961 12 P 3.8412496 -0.2672017 -0.1650118 0.0234764 4.1554233 -0.7303947 0.1025662 0.1424837 2.9890961 13 P 3.6504936 0.2426169 0.4840529 0.0238314 4.1011933 0.2718238 -0.3463234 -0.4504552 3.1017729 14 P 3.6504936 -0.2426169 0.4840529 -0.0238314 4.1011933 -0.2718238 -0.3463234 0.4504552 3.1017729 15 P 3.6504936 0.2426169 0.4840529 0.0238314 4.1011933 0.2718238 -0.3463234 -0.4504552 3.1017729 16 P 3.6504936 -0.2426169 0.4840529 -0.0238314 4.1011933 -0.2718238 -0.3463234 0.4504552 3.1017729 17 P 3.7579371 -0.0853902 0.0602607 -0.3158501 4.1488297 0.4956472 0.5745568 -0.2236738 3.3729821 18 P 3.7579371 0.0853902 0.0602607 0.3158501 4.1488297 -0.4956472 0.5745568 0.2236738 3.3729821 19 P 3.7579371 -0.0853902 0.0602607 -0.3158501 4.1488297 0.4956472 0.5745568 -0.2236738 3.3729821 20 P 3.7579371 0.0853902 0.0602607 0.3158501 4.1488297 -0.4956472 0.5745568 0.2236738 3.3729821 21 P 3.6574185 -0.0419922 -0.0780196 -0.1137092 3.9551971 0.5233154 -0.3433031 -0.5868603 3.2722675 22 P 3.6574185 0.0419922 -0.0780196 0.1137092 3.9551971 -0.5233154 -0.3433031 0.5868603 3.2722675 23 P 3.6574185 -0.0419922 -0.0780196 -0.1137092 3.9551971 0.5233154 -0.3433031 -0.5868603 3.2722675 24 P 3.6574185 0.0419922 -0.0780196 0.1137092 3.9551971 -0.5233154 -0.3433031 0.5868603 3.2722675 25 O -1.2573365 0.9478961 0.0342363 0.8151621 -3.4721741 -0.0356942 -0.0488004 -0.0820638 -0.9457163 26 O -1.2573365 -0.9478961 0.0342363 -0.8151621 -3.4721741 0.0356942 -0.0488004 0.0820638 -0.9457163 27 O -1.2573365 0.9478961 0.0342363 0.8151621 -3.4721741 -0.0356942 -0.0488004 -0.0820638 -0.9457163 28 O -1.2573365 -0.9478961 0.0342363 -0.8151621 -3.4721741 0.0356942 -0.0488004 0.0820638 -0.9457163 29 O -1.7072241 0.5686876 -0.3873159 0.5962409 -1.6423773 0.3096066 -0.3512670 0.4754303 -1.6759131 30 O -1.7072241 -0.5686876 -0.3873159 -0.5962409 -1.6423773 -0.3096066 -0.3512670 -0.4754303 -1.6759131 31 O -1.7072241 0.5686876 -0.3873159 0.5962409 -1.6423773 0.3096066 -0.3512670 0.4754303 -1.6759131 32 O -1.7072241 -0.5686876 -0.3873159 -0.5962409 -1.6423773 -0.3096066 -0.3512670 -0.4754303 -1.6759131 33 O -3.1338454 -0.2884592 0.4414870 -0.1687066 -0.9879072 -0.0277556 0.3863599 0.1786705 -1.2054291 34 O -3.1338454 0.2884592 0.4414870 0.1687066 -0.9879072 0.0277556 0.3863599 -0.1786705 -1.2054291 35 O -3.1338454 -0.2884592 0.4414870 -0.1687066 -0.9879072 -0.0277556 0.3863599 0.1786705 -1.2054291 36 O -3.1338454 0.2884592 0.4414870 0.1687066 -0.9879072 0.0277556 0.3863599 -0.1786705 -1.2054291 37 O -1.4611517 -0.1374200 -0.2833212 -0.1552913 -1.3549077 -0.5744286 -0.3862133 -0.3037210 -1.8607648 38 O -1.4611517 0.1374200 -0.2833212 0.1552913 -1.3549077 0.5744286 -0.3862133 0.3037210 -1.8607648 39 O -1.4611517 -0.1374200 -0.2833212 -0.1552913 -1.3549077 -0.5744286 -0.3862133 -0.3037210 -1.8607648 40 O -1.4611517 0.1374200 -0.2833212 0.1552913 -1.3549077 0.5744286 -0.3862133 0.3037210 -1.8607648 41 O -1.0485024 0.7149060 0.0579960 0.4511510 -3.3311482 0.0221960 0.1442690 0.0673345 -1.0183052 42 O -1.0485024 -0.7149060 0.0579960 -0.4511510 -3.3311482 -0.0221960 0.1442690 -0.0673345 -1.0183052 43 O -1.0485024 0.7149060 0.0579960 0.4511510 -3.3311482 0.0221960 0.1442690 0.0673345 -1.0183052 44 O -1.0485024 -0.7149060 0.0579960 -0.4511510 -3.3311482 -0.0221960 0.1442690 -0.0673345 -1.0183052 45 O -3.1065806 -0.2784740 -0.5590816 -0.1954069 -1.0897004 -0.0084851 -0.4271642 0.1315974 -1.0942707 46 O -3.1065806 0.2784740 -0.5590816 0.1954069 -1.0897004 0.0084851 -0.4271642 -0.1315974 -1.0942707 47 O -3.1065806 -0.2784740 -0.5590816 -0.1954069 -1.0897004 -0.0084851 -0.4271642 0.1315974 -1.0942707 48 O -3.1065806 0.2784740 -0.5590816 0.1954069 -1.0897004 0.0084851 -0.4271642 -0.1315974 -1.0942707 49 O -1.6428644 0.2528994 0.6488760 0.3546702 -1.4687991 -0.5535214 0.6372924 -0.3524807 -1.7770134 50 O -1.6428644 -0.2528994 0.6488760 -0.3546702 -1.4687991 0.5535214 0.6372924 0.3524807 -1.7770134 51 O -1.6428644 0.2528994 0.6488760 0.3546702 -1.4687991 -0.5535214 0.6372924 -0.3524807 -1.7770134 52 O -1.6428644 -0.2528994 0.6488760 -0.3546702 -1.4687991 0.5535214 0.6372924 0.3524807 -1.7770134 53 O -1.3964956 -0.1206764 0.1120363 -0.1583961 -1.7357968 0.6725384 0.2645252 0.7350725 -1.6818001 54 O -1.3964956 0.1206764 0.1120363 0.1583961 -1.7357968 -0.6725384 0.2645252 -0.7350725 -1.6818001 55 O -1.3964956 -0.1206764 0.1120363 -0.1583961 -1.7357968 0.6725384 0.2645252 0.7350725 -1.6818001 56 O -1.3964956 0.1206764 0.1120363 0.1583961 -1.7357968 -0.6725384 0.2645252 -0.7350725 -1.6818001 57 O -1.6975979 -0.2323274 -0.4879502 -0.2743309 -1.2940767 -0.6481818 -0.5386124 -0.4230188 -2.0027360 58 O -1.6975979 0.2323274 -0.4879502 0.2743309 -1.2940767 0.6481818 -0.5386124 0.4230188 -2.0027360 59 O -1.6975979 -0.2323274 -0.4879502 -0.2743309 -1.2940767 -0.6481818 -0.5386124 -0.4230188 -2.0027360 60 O -1.6975979 0.2323274 -0.4879502 0.2743309 -1.2940767 0.6481818 -0.5386124 0.4230188 -2.0027360 61 O -1.2449230 0.0309516 -0.1660456 0.1052809 -1.7280059 0.6845163 -0.2677809 0.7753199 -1.9594534 62 O -1.2449230 -0.0309516 -0.1660456 -0.1052809 -1.7280059 -0.6845163 -0.2677809 -0.7753199 -1.9594534 63 O -1.2449230 0.0309516 -0.1660456 0.1052809 -1.7280059 0.6845163 -0.2677809 0.7753199 -1.9594534 64 O -1.2449230 -0.0309516 -0.1660456 -0.1052809 -1.7280059 -0.6845163 -0.2677809 -0.7753199 -1.9594534 65 O -1.6669284 -0.4028834 0.3255991 -0.3680195 -1.6464324 0.5335360 0.3639998 0.7388018 -1.6789130 66 O -1.6669284 0.4028834 0.3255991 0.3680195 -1.6464324 -0.5335360 0.3639998 -0.7388018 -1.6789130 67 O -1.6669284 -0.4028834 0.3255991 -0.3680195 -1.6464324 0.5335360 0.3639998 0.7388018 -1.6789130 68 O -1.6669284 0.4028834 0.3255991 0.3680195 -1.6464324 -0.5335360 0.3639998 -0.7388018 -1.6789130 69 O -1.2861199 0.0264974 0.0173483 0.0667943 -1.2560994 -0.6425761 0.1669807 -0.2694997 -2.2142879 70 O -1.2861199 -0.0264974 0.0173483 -0.0667943 -1.2560994 0.6425761 0.1669807 0.2694997 -2.2142879 71 O -1.2861199 0.0264974 0.0173483 0.0667943 -1.2560994 -0.6425761 0.1669807 -0.2694997 -2.2142879 72 O -1.2861199 -0.0264974 0.0173483 -0.0667943 -1.2560994 0.6425761 0.1669807 0.2694997 -2.2142879 ---------------------------------------------------------------------------- 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] Computing fc3[ 137, 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] [-0.0058 0.0000 0.0081] [ 0.0058 0.0000 -0.0081] 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 10:18:00]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 10:18:01]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.259601510090405 0.000000000000000 0.000000000000000 b 0.000000000000000 13.173650719999999 0.000000000000000 c -7.156937496739456 0.000000000000000 9.927269557765310 Atomic positions (fractional): 1 Nd 0.96371102689196 0.21754668081702 0.97785633573261 144.242 2 Nd 0.03628897310804 0.71754668081702 0.52214366426739 144.242 3 Nd 0.03628897310804 0.78245331918298 0.02214366426739 144.242 4 Nd 0.96371102689196 0.28245331918298 0.47785633573261 144.242 5 Ag 0.56646731980232 0.27563310897864 0.56677733928144 107.868 6 Ag 0.43353268019768 0.77563310897864 0.93322266071856 107.868 7 Ag 0.43353268019768 0.72436689102136 0.43322266071856 107.868 8 Ag 0.56646731980232 0.22436689102136 0.06677733928144 107.868 9 P 0.49269956642601 0.39932775199298 0.74401578336276 30.974 10 P 0.50730043357399 0.89932775199298 0.75598421663724 30.974 11 P 0.50730043357399 0.60067224800702 0.25598421663724 30.974 12 P 0.49269956642601 0.10067224800702 0.24401578336276 30.974 13 P 0.93160143171686 0.08993870141409 0.70040662053801 30.974 14 P 0.06839856828314 0.58993870141409 0.79959337946199 30.974 15 P 0.06839856828314 0.91006129858591 0.29959337946199 30.974 16 P 0.93160143171686 0.41006129858591 0.20040662053801 30.974 17 P 0.38567950619134 0.11444317972483 0.76527725825716 30.974 18 P 0.61432049380867 0.61444317972483 0.73472274174284 30.974 19 P 0.61432049380867 0.88555682027517 0.23472274174284 30.974 20 P 0.38567950619134 0.38555682027517 0.26527725825716 30.974 21 P 0.15989684897780 0.37263836371469 0.80589407685941 30.974 22 P 0.84010315102220 0.87263836371469 0.69410592314059 30.974 23 P 0.84010315102220 0.62736163628531 0.19410592314059 30.974 24 P 0.15989684897780 0.12736163628531 0.30589407685941 30.974 25 O 0.42226138344388 0.01338565993766 0.70889531352481 15.999 26 O 0.57773861655612 0.51338565993766 0.79110468647519 15.999 27 O 0.57773861655612 0.98661434006234 0.29110468647519 15.999 28 O 0.42226138344388 0.48661434006234 0.20889531352481 15.999 29 O 0.69919681877888 0.33388551471090 0.79613055192066 15.999 30 O 0.30080318122112 0.83388551471090 0.70386944807934 15.999 31 O 0.30080318122112 0.66611448528910 0.20386944807934 15.999 32 O 0.69919681877888 0.16611448528910 0.29613055192066 15.999 33 O 0.40679391104737 0.37744237333855 0.83599629046177 15.999 34 O 0.59320608895263 0.87744237333855 0.66400370953823 15.999 35 O 0.59320608895263 0.62255762666145 0.16400370953823 15.999 36 O 0.40679391104737 0.12255762666145 0.33599629046177 15.999 37 O 0.30395066195289 0.39357554714290 0.59614909375597 15.999 38 O 0.69604933804711 0.89357554714290 0.90385090624403 15.999 39 O 0.69604933804711 0.60642445285710 0.40385090624403 15.999 40 O 0.30395066195289 0.10642445285710 0.09614909375597 15.999 41 O 0.14727400792770 0.47860605285906 0.86600875376199 15.999 42 O 0.85272599207230 0.97860605285906 0.63399124623801 15.999 43 O 0.85272599207230 0.52139394714094 0.13399124623801 15.999 44 O 0.14727400792770 0.02139394714094 0.36600875376199 15.999 45 O 0.20360951301152 0.07999544431223 0.79241673132845 15.999 46 O 0.79639048698849 0.57999544431223 0.70758326867155 15.999 47 O 0.79639048698849 0.92000455568777 0.20758326867155 15.999 48 O 0.20360951301152 0.42000455568777 0.29241673132845 15.999 49 O 0.86371836089016 0.10858897220191 0.79295076637717 15.999 50 O 0.13628163910984 0.60858897220191 0.70704923362283 15.999 51 O 0.13628163910984 0.89141102779809 0.20704923362283 15.999 52 O 0.86371836089016 0.39141102779809 0.29295076637717 15.999 53 O 0.84816066591995 0.16155068767994 0.58469194748616 15.999 54 O 0.15183933408005 0.66155068767994 0.91530805251384 15.999 55 O 0.15183933408005 0.83844931232006 0.41530805251384 15.999 56 O 0.84816066591995 0.33844931232006 0.08469194748616 15.999 57 O 0.59699152012117 0.14367263872623 0.89954112452899 15.999 58 O 0.40300847987882 0.64367263872623 0.60045887547101 15.999 59 O 0.40300847987882 0.85632736127377 0.10045887547101 15.999 60 O 0.59699152012117 0.35632736127377 0.39954112452899 15.999 61 O 0.28426626016747 0.19019737248304 0.65371707145056 15.999 62 O 0.71573373983253 0.69019737248304 0.84628292854944 15.999 63 O 0.71573373983253 0.80980262751696 0.34628292854944 15.999 64 O 0.28426626016747 0.30980262751697 0.15371707145056 15.999 65 O 0.17668107963154 0.29012872896940 0.89604452601582 15.999 66 O 0.82331892036846 0.79012872896940 0.60395547398418 15.999 67 O 0.82331892036846 0.70987127103060 0.10395547398418 15.999 68 O 0.17668107963154 0.20987127103060 0.39604452601582 15.999 69 O 0.97987910906856 0.36754658337788 0.65744863968080 15.999 70 O 0.02012089093144 0.86754658337788 0.84255136031920 15.999 71 O 0.02012089093144 0.63245341662212 0.34255136031920 15.999 72 O 0.97987910906856 0.13245341662212 0.15744863968080 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.519203020180811 0.000000000000000 0.000000000000000 b 0.000000000000000 13.173650719999999 0.000000000000000 c -7.156937496739456 0.000000000000000 9.927269557765310 Atomic positions (fractional): 1 Nd 0.48185551344598 0.21754668081702 0.97785633573261 144.242 > 1 2 Nd 0.98185551344598 0.21754668081702 0.97785633573261 144.242 > 1 3 Nd 0.01814448655402 0.71754668081702 0.52214366426739 144.242 > 3 4 Nd 0.51814448655402 0.71754668081702 0.52214366426739 144.242 > 3 5 Nd 0.01814448655402 0.78245331918298 0.02214366426739 144.242 > 5 6 Nd 0.51814448655402 0.78245331918298 0.02214366426739 144.242 > 5 7 Nd 0.48185551344598 0.28245331918298 0.47785633573261 144.242 > 7 8 Nd 0.98185551344598 0.28245331918298 0.47785633573261 144.242 > 7 9 Ag 0.28323365990116 0.27563310897864 0.56677733928144 107.868 > 9 10 Ag 0.78323365990116 0.27563310897864 0.56677733928144 107.868 > 9 11 Ag 0.21676634009884 0.77563310897864 0.93322266071856 107.868 > 11 12 Ag 0.71676634009884 0.77563310897864 0.93322266071856 107.868 > 11 13 Ag 0.21676634009884 0.72436689102136 0.43322266071856 107.868 > 13 14 Ag 0.71676634009884 0.72436689102136 0.43322266071856 107.868 > 13 15 Ag 0.28323365990116 0.22436689102136 0.06677733928144 107.868 > 15 16 Ag 0.78323365990116 0.22436689102136 0.06677733928144 107.868 > 15 17 P 0.24634978321301 0.39932775199298 0.74401578336276 30.974 > 17 18 P 0.74634978321301 0.39932775199298 0.74401578336276 30.974 > 17 19 P 0.25365021678699 0.89932775199298 0.75598421663724 30.974 > 19 20 P 0.75365021678699 0.89932775199298 0.75598421663724 30.974 > 19 21 P 0.25365021678699 0.60067224800702 0.25598421663724 30.974 > 21 22 P 0.75365021678699 0.60067224800702 0.25598421663724 30.974 > 21 23 P 0.24634978321301 0.10067224800702 0.24401578336276 30.974 > 23 24 P 0.74634978321301 0.10067224800702 0.24401578336276 30.974 > 23 25 P 0.46580071585843 0.08993870141409 0.70040662053801 30.974 > 25 26 P 0.96580071585843 0.08993870141409 0.70040662053801 30.974 > 25 27 P 0.03419928414157 0.58993870141409 0.79959337946199 30.974 > 27 28 P 0.53419928414157 0.58993870141409 0.79959337946199 30.974 > 27 29 P 0.03419928414157 0.91006129858591 0.29959337946199 30.974 > 29 30 P 0.53419928414157 0.91006129858591 0.29959337946199 30.974 > 29 31 P 0.46580071585843 0.41006129858591 0.20040662053801 30.974 > 31 32 P 0.96580071585843 0.41006129858591 0.20040662053801 30.974 > 31 33 P 0.19283975309567 0.11444317972483 0.76527725825716 30.974 > 33 34 P 0.69283975309567 0.11444317972483 0.76527725825716 30.974 > 33 35 P 0.30716024690433 0.61444317972483 0.73472274174284 30.974 > 35 36 P 0.80716024690433 0.61444317972483 0.73472274174284 30.974 > 35 37 P 0.30716024690433 0.88555682027517 0.23472274174284 30.974 > 37 38 P 0.80716024690433 0.88555682027517 0.23472274174284 30.974 > 37 39 P 0.19283975309567 0.38555682027517 0.26527725825716 30.974 > 39 40 P 0.69283975309567 0.38555682027517 0.26527725825716 30.974 > 39 41 P 0.07994842448890 0.37263836371469 0.80589407685941 30.974 > 41 42 P 0.57994842448890 0.37263836371469 0.80589407685941 30.974 > 41 43 P 0.42005157551110 0.87263836371469 0.69410592314059 30.974 > 43 44 P 0.92005157551110 0.87263836371469 0.69410592314059 30.974 > 43 45 P 0.42005157551110 0.62736163628531 0.19410592314059 30.974 > 45 46 P 0.92005157551110 0.62736163628531 0.19410592314059 30.974 > 45 47 P 0.07994842448890 0.12736163628531 0.30589407685941 30.974 > 47 48 P 0.57994842448890 0.12736163628531 0.30589407685941 30.974 > 47 49 O 0.21113069172194 0.01338565993766 0.70889531352481 15.999 > 49 50 O 0.71113069172194 0.01338565993766 0.70889531352481 15.999 > 49 51 O 0.28886930827806 0.51338565993766 0.79110468647519 15.999 > 51 52 O 0.78886930827806 0.51338565993766 0.79110468647519 15.999 > 51 53 O 0.28886930827806 0.98661434006234 0.29110468647519 15.999 > 53 54 O 0.78886930827806 0.98661434006234 0.29110468647519 15.999 > 53 55 O 0.21113069172194 0.48661434006234 0.20889531352481 15.999 > 55 56 O 0.71113069172194 0.48661434006234 0.20889531352481 15.999 > 55 57 O 0.34959840938944 0.33388551471090 0.79613055192066 15.999 > 57 58 O 0.84959840938944 0.33388551471090 0.79613055192066 15.999 > 57 59 O 0.15040159061056 0.83388551471090 0.70386944807934 15.999 > 59 60 O 0.65040159061056 0.83388551471090 0.70386944807934 15.999 > 59 61 O 0.15040159061056 0.66611448528910 0.20386944807934 15.999 > 61 62 O 0.65040159061056 0.66611448528910 0.20386944807934 15.999 > 61 63 O 0.34959840938944 0.16611448528910 0.29613055192066 15.999 > 63 64 O 0.84959840938944 0.16611448528910 0.29613055192066 15.999 > 63 65 O 0.20339695552369 0.37744237333855 0.83599629046177 15.999 > 65 66 O 0.70339695552369 0.37744237333855 0.83599629046177 15.999 > 65 67 O 0.29660304447631 0.87744237333855 0.66400370953823 15.999 > 67 68 O 0.79660304447631 0.87744237333855 0.66400370953823 15.999 > 67 69 O 0.29660304447631 0.62255762666145 0.16400370953823 15.999 > 69 70 O 0.79660304447631 0.62255762666145 0.16400370953823 15.999 > 69 71 O 0.20339695552369 0.12255762666145 0.33599629046177 15.999 > 71 72 O 0.70339695552369 0.12255762666145 0.33599629046177 15.999 > 71 73 O 0.15197533097644 0.39357554714290 0.59614909375597 15.999 > 73 74 O 0.65197533097644 0.39357554714290 0.59614909375597 15.999 > 73 75 O 0.34802466902356 0.89357554714290 0.90385090624403 15.999 > 75 76 O 0.84802466902356 0.89357554714290 0.90385090624403 15.999 > 75 77 O 0.34802466902356 0.60642445285710 0.40385090624403 15.999 > 77 78 O 0.84802466902356 0.60642445285710 0.40385090624403 15.999 > 77 79 O 0.15197533097644 0.10642445285710 0.09614909375597 15.999 > 79 80 O 0.65197533097644 0.10642445285710 0.09614909375597 15.999 > 79 81 O 0.07363700396385 0.47860605285906 0.86600875376199 15.999 > 81 82 O 0.57363700396385 0.47860605285906 0.86600875376199 15.999 > 81 83 O 0.42636299603615 0.97860605285906 0.63399124623801 15.999 > 83 84 O 0.92636299603615 0.97860605285906 0.63399124623801 15.999 > 83 85 O 0.42636299603615 0.52139394714094 0.13399124623801 15.999 > 85 86 O 0.92636299603615 0.52139394714094 0.13399124623801 15.999 > 85 87 O 0.07363700396385 0.02139394714094 0.36600875376199 15.999 > 87 88 O 0.57363700396385 0.02139394714094 0.36600875376199 15.999 > 87 89 O 0.10180475650576 0.07999544431223 0.79241673132845 15.999 > 89 90 O 0.60180475650576 0.07999544431223 0.79241673132845 15.999 > 89 91 O 0.39819524349424 0.57999544431223 0.70758326867155 15.999 > 91 92 O 0.89819524349424 0.57999544431223 0.70758326867155 15.999 > 91 93 O 0.39819524349424 0.92000455568777 0.20758326867155 15.999 > 93 94 O 0.89819524349424 0.92000455568777 0.20758326867155 15.999 > 93 95 O 0.10180475650576 0.42000455568777 0.29241673132845 15.999 > 95 96 O 0.60180475650576 0.42000455568777 0.29241673132845 15.999 > 95 97 O 0.43185918044508 0.10858897220191 0.79295076637717 15.999 > 97 98 O 0.93185918044508 0.10858897220191 0.79295076637717 15.999 > 97 99 O 0.06814081955492 0.60858897220191 0.70704923362283 15.999 > 99 100 O 0.56814081955492 0.60858897220191 0.70704923362283 15.999 > 99 101 O 0.06814081955492 0.89141102779809 0.20704923362283 15.999 > 101 102 O 0.56814081955492 0.89141102779809 0.20704923362283 15.999 > 101 103 O 0.43185918044508 0.39141102779809 0.29295076637717 15.999 > 103 104 O 0.93185918044508 0.39141102779809 0.29295076637717 15.999 > 103 105 O 0.42408033295997 0.16155068767994 0.58469194748616 15.999 > 105 106 O 0.92408033295997 0.16155068767994 0.58469194748616 15.999 > 105 107 O 0.07591966704003 0.66155068767994 0.91530805251384 15.999 > 107 108 O 0.57591966704003 0.66155068767994 0.91530805251384 15.999 > 107 109 O 0.07591966704003 0.83844931232006 0.41530805251384 15.999 > 109 110 O 0.57591966704003 0.83844931232006 0.41530805251384 15.999 > 109 111 O 0.42408033295997 0.33844931232006 0.08469194748616 15.999 > 111 112 O 0.92408033295997 0.33844931232006 0.08469194748616 15.999 > 111 113 O 0.29849576006059 0.14367263872623 0.89954112452899 15.999 > 113 114 O 0.79849576006059 0.14367263872623 0.89954112452899 15.999 > 113 115 O 0.20150423993941 0.64367263872623 0.60045887547101 15.999 > 115 116 O 0.70150423993941 0.64367263872623 0.60045887547101 15.999 > 115 117 O 0.20150423993941 0.85632736127377 0.10045887547101 15.999 > 117 118 O 0.70150423993941 0.85632736127377 0.10045887547101 15.999 > 117 119 O 0.29849576006059 0.35632736127377 0.39954112452899 15.999 > 119 120 O 0.79849576006059 0.35632736127377 0.39954112452899 15.999 > 119 121 O 0.14213313008373 0.19019737248304 0.65371707145056 15.999 > 121 122 O 0.64213313008373 0.19019737248304 0.65371707145056 15.999 > 121 123 O 0.35786686991627 0.69019737248304 0.84628292854944 15.999 > 123 124 O 0.85786686991627 0.69019737248304 0.84628292854944 15.999 > 123 125 O 0.35786686991627 0.80980262751696 0.34628292854944 15.999 > 125 126 O 0.85786686991627 0.80980262751696 0.34628292854944 15.999 > 125 127 O 0.14213313008373 0.30980262751697 0.15371707145056 15.999 > 127 128 O 0.64213313008373 0.30980262751697 0.15371707145056 15.999 > 127 129 O 0.08834053981577 0.29012872896940 0.89604452601582 15.999 > 129 130 O 0.58834053981577 0.29012872896940 0.89604452601582 15.999 > 129 131 O 0.41165946018423 0.79012872896940 0.60395547398418 15.999 > 131 132 O 0.91165946018423 0.79012872896940 0.60395547398418 15.999 > 131 133 O 0.41165946018423 0.70987127103060 0.10395547398418 15.999 > 133 134 O 0.91165946018423 0.70987127103060 0.10395547398418 15.999 > 133 135 O 0.08834053981577 0.20987127103060 0.39604452601582 15.999 > 135 136 O 0.58834053981577 0.20987127103060 0.39604452601582 15.999 > 135 137 O 0.48993955453428 0.36754658337788 0.65744863968080 15.999 > 137 138 O 0.98993955453428 0.36754658337788 0.65744863968080 15.999 > 137 139 O 0.01006044546572 0.86754658337788 0.84255136031920 15.999 > 139 140 O 0.51006044546572 0.86754658337788 0.84255136031920 15.999 > 139 141 O 0.01006044546572 0.63245341662212 0.34255136031920 15.999 > 141 142 O 0.51006044546572 0.63245341662212 0.34255136031920 15.999 > 141 143 O 0.48993955453428 0.13245341662212 0.15744863968080 15.999 > 143 144 O 0.98993955453428 0.13245341662212 0.15744863968080 15.999 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.9768400 0.0000000 0.0033024 0.0000000 2.9051274 0.0000000 0.0033045 0.0000000 2.9561261 -------------------------- Born effective charges -------------------------- 1 Nd 4.2462005 -0.2029615 0.0096720 0.1874574 3.5481303 0.0877444 0.0573336 0.0373518 4.8988157 2 Nd 4.2462005 0.2029615 0.0096720 -0.1874574 3.5481303 -0.0877444 0.0573336 -0.0373518 4.8988157 3 Nd 4.2462005 -0.2029615 0.0096720 0.1874574 3.5481303 0.0877444 0.0573336 0.0373518 4.8988157 4 Nd 4.2462005 0.2029615 0.0096720 -0.1874574 3.5481303 -0.0877444 0.0573336 -0.0373518 4.8988157 5 Ag 1.4962705 -0.0901441 -0.0648187 -0.0074930 1.0986515 0.1118209 0.0115810 0.0347546 1.4796685 6 Ag 1.4962705 0.0901441 -0.0648187 0.0074930 1.0986515 -0.1118209 0.0115810 -0.0347546 1.4796685 7 Ag 1.4962705 -0.0901441 -0.0648187 -0.0074930 1.0986515 0.1118209 0.0115810 0.0347546 1.4796685 8 Ag 1.4962705 0.0901441 -0.0648187 0.0074930 1.0986515 -0.1118209 0.0115810 -0.0347546 1.4796685 9 P 3.8412496 0.2672017 -0.1650118 -0.0234764 4.1554233 0.7303947 0.1025662 -0.1424837 2.9890961 10 P 3.8412496 -0.2672017 -0.1650118 0.0234764 4.1554233 -0.7303947 0.1025662 0.1424837 2.9890961 11 P 3.8412496 0.2672017 -0.1650118 -0.0234764 4.1554233 0.7303947 0.1025662 -0.1424837 2.9890961 12 P 3.8412496 -0.2672017 -0.1650118 0.0234764 4.1554233 -0.7303947 0.1025662 0.1424837 2.9890961 13 P 3.6504936 0.2426169 0.4840529 0.0238314 4.1011933 0.2718238 -0.3463234 -0.4504552 3.1017729 14 P 3.6504936 -0.2426169 0.4840529 -0.0238314 4.1011933 -0.2718238 -0.3463234 0.4504552 3.1017729 15 P 3.6504936 0.2426169 0.4840529 0.0238314 4.1011933 0.2718238 -0.3463234 -0.4504552 3.1017729 16 P 3.6504936 -0.2426169 0.4840529 -0.0238314 4.1011933 -0.2718238 -0.3463234 0.4504552 3.1017729 17 P 3.7579371 -0.0853902 0.0602607 -0.3158501 4.1488297 0.4956472 0.5745568 -0.2236738 3.3729821 18 P 3.7579371 0.0853902 0.0602607 0.3158501 4.1488297 -0.4956472 0.5745568 0.2236738 3.3729821 19 P 3.7579371 -0.0853902 0.0602607 -0.3158501 4.1488297 0.4956472 0.5745568 -0.2236738 3.3729821 20 P 3.7579371 0.0853902 0.0602607 0.3158501 4.1488297 -0.4956472 0.5745568 0.2236738 3.3729821 21 P 3.6574185 -0.0419922 -0.0780196 -0.1137092 3.9551971 0.5233154 -0.3433031 -0.5868603 3.2722675 22 P 3.6574185 0.0419922 -0.0780196 0.1137092 3.9551971 -0.5233154 -0.3433031 0.5868603 3.2722675 23 P 3.6574185 -0.0419922 -0.0780196 -0.1137092 3.9551971 0.5233154 -0.3433031 -0.5868603 3.2722675 24 P 3.6574185 0.0419922 -0.0780196 0.1137092 3.9551971 -0.5233154 -0.3433031 0.5868603 3.2722675 25 O -1.2573365 0.9478961 0.0342363 0.8151621 -3.4721741 -0.0356942 -0.0488004 -0.0820638 -0.9457163 26 O -1.2573365 -0.9478961 0.0342363 -0.8151621 -3.4721741 0.0356942 -0.0488004 0.0820638 -0.9457163 27 O -1.2573365 0.9478961 0.0342363 0.8151621 -3.4721741 -0.0356942 -0.0488004 -0.0820638 -0.9457163 28 O -1.2573365 -0.9478961 0.0342363 -0.8151621 -3.4721741 0.0356942 -0.0488004 0.0820638 -0.9457163 29 O -1.7072241 0.5686876 -0.3873159 0.5962409 -1.6423773 0.3096066 -0.3512670 0.4754303 -1.6759131 30 O -1.7072241 -0.5686876 -0.3873159 -0.5962409 -1.6423773 -0.3096066 -0.3512670 -0.4754303 -1.6759131 31 O -1.7072241 0.5686876 -0.3873159 0.5962409 -1.6423773 0.3096066 -0.3512670 0.4754303 -1.6759131 32 O -1.7072241 -0.5686876 -0.3873159 -0.5962409 -1.6423773 -0.3096066 -0.3512670 -0.4754303 -1.6759131 33 O -3.1338454 -0.2884592 0.4414870 -0.1687066 -0.9879072 -0.0277556 0.3863599 0.1786705 -1.2054291 34 O -3.1338454 0.2884592 0.4414870 0.1687066 -0.9879072 0.0277556 0.3863599 -0.1786705 -1.2054291 35 O -3.1338454 -0.2884592 0.4414870 -0.1687066 -0.9879072 -0.0277556 0.3863599 0.1786705 -1.2054291 36 O -3.1338454 0.2884592 0.4414870 0.1687066 -0.9879072 0.0277556 0.3863599 -0.1786705 -1.2054291 37 O -1.4611517 -0.1374200 -0.2833212 -0.1552913 -1.3549077 -0.5744286 -0.3862133 -0.3037210 -1.8607648 38 O -1.4611517 0.1374200 -0.2833212 0.1552913 -1.3549077 0.5744286 -0.3862133 0.3037210 -1.8607648 39 O -1.4611517 -0.1374200 -0.2833212 -0.1552913 -1.3549077 -0.5744286 -0.3862133 -0.3037210 -1.8607648 40 O -1.4611517 0.1374200 -0.2833212 0.1552913 -1.3549077 0.5744286 -0.3862133 0.3037210 -1.8607648 41 O -1.0485024 0.7149060 0.0579960 0.4511510 -3.3311482 0.0221960 0.1442690 0.0673345 -1.0183052 42 O -1.0485024 -0.7149060 0.0579960 -0.4511510 -3.3311482 -0.0221960 0.1442690 -0.0673345 -1.0183052 43 O -1.0485024 0.7149060 0.0579960 0.4511510 -3.3311482 0.0221960 0.1442690 0.0673345 -1.0183052 44 O -1.0485024 -0.7149060 0.0579960 -0.4511510 -3.3311482 -0.0221960 0.1442690 -0.0673345 -1.0183052 45 O -3.1065806 -0.2784740 -0.5590816 -0.1954069 -1.0897004 -0.0084851 -0.4271642 0.1315974 -1.0942707 46 O -3.1065806 0.2784740 -0.5590816 0.1954069 -1.0897004 0.0084851 -0.4271642 -0.1315974 -1.0942707 47 O -3.1065806 -0.2784740 -0.5590816 -0.1954069 -1.0897004 -0.0084851 -0.4271642 0.1315974 -1.0942707 48 O -3.1065806 0.2784740 -0.5590816 0.1954069 -1.0897004 0.0084851 -0.4271642 -0.1315974 -1.0942707 49 O -1.6428644 0.2528994 0.6488760 0.3546702 -1.4687991 -0.5535214 0.6372924 -0.3524807 -1.7770134 50 O -1.6428644 -0.2528994 0.6488760 -0.3546702 -1.4687991 0.5535214 0.6372924 0.3524807 -1.7770134 51 O -1.6428644 0.2528994 0.6488760 0.3546702 -1.4687991 -0.5535214 0.6372924 -0.3524807 -1.7770134 52 O -1.6428644 -0.2528994 0.6488760 -0.3546702 -1.4687991 0.5535214 0.6372924 0.3524807 -1.7770134 53 O -1.3964956 -0.1206764 0.1120363 -0.1583961 -1.7357968 0.6725384 0.2645252 0.7350725 -1.6818001 54 O -1.3964956 0.1206764 0.1120363 0.1583961 -1.7357968 -0.6725384 0.2645252 -0.7350725 -1.6818001 55 O -1.3964956 -0.1206764 0.1120363 -0.1583961 -1.7357968 0.6725384 0.2645252 0.7350725 -1.6818001 56 O -1.3964956 0.1206764 0.1120363 0.1583961 -1.7357968 -0.6725384 0.2645252 -0.7350725 -1.6818001 57 O -1.6975979 -0.2323274 -0.4879502 -0.2743309 -1.2940767 -0.6481818 -0.5386124 -0.4230188 -2.0027360 58 O -1.6975979 0.2323274 -0.4879502 0.2743309 -1.2940767 0.6481818 -0.5386124 0.4230188 -2.0027360 59 O -1.6975979 -0.2323274 -0.4879502 -0.2743309 -1.2940767 -0.6481818 -0.5386124 -0.4230188 -2.0027360 60 O -1.6975979 0.2323274 -0.4879502 0.2743309 -1.2940767 0.6481818 -0.5386124 0.4230188 -2.0027360 61 O -1.2449230 0.0309516 -0.1660456 0.1052809 -1.7280059 0.6845163 -0.2677809 0.7753199 -1.9594534 62 O -1.2449230 -0.0309516 -0.1660456 -0.1052809 -1.7280059 -0.6845163 -0.2677809 -0.7753199 -1.9594534 63 O -1.2449230 0.0309516 -0.1660456 0.1052809 -1.7280059 0.6845163 -0.2677809 0.7753199 -1.9594534 64 O -1.2449230 -0.0309516 -0.1660456 -0.1052809 -1.7280059 -0.6845163 -0.2677809 -0.7753199 -1.9594534 65 O -1.6669284 -0.4028834 0.3255991 -0.3680195 -1.6464324 0.5335360 0.3639998 0.7388018 -1.6789130 66 O -1.6669284 0.4028834 0.3255991 0.3680195 -1.6464324 -0.5335360 0.3639998 -0.7388018 -1.6789130 67 O -1.6669284 -0.4028834 0.3255991 -0.3680195 -1.6464324 0.5335360 0.3639998 0.7388018 -1.6789130 68 O -1.6669284 0.4028834 0.3255991 0.3680195 -1.6464324 -0.5335360 0.3639998 -0.7388018 -1.6789130 69 O -1.2861199 0.0264974 0.0173483 0.0667943 -1.2560994 -0.6425761 0.1669807 -0.2694997 -2.2142879 70 O -1.2861199 -0.0264974 0.0173483 -0.0667943 -1.2560994 0.6425761 0.1669807 0.2694997 -2.2142879 71 O -1.2861199 0.0264974 0.0173483 0.0667943 -1.2560994 -0.6425761 0.1669807 -0.2694997 -2.2142879 72 O -1.2861199 -0.0264974 0.0173483 -0.0667943 -1.2560994 0.6425761 0.1669807 0.2694997 -2.2142879 ---------------------------------------------------------------------------- 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 ... [ 8 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 297, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/63) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 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 1.077 ( 0.000 0.000 0.000) 0.000 1.158 ( 0.000 0.000 0.000) 0.000 1.234 ( 0.000 0.000 0.000) 0.000 1.264 ( 0.000 0.000 0.000) 0.000 1.450 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.317 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 0.000) 0.000 2.462 ( 0.000 0.000 0.000) 0.000 2.591 ( 0.000 0.000 0.000) 0.000 2.608 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.826 ( 0.000 0.000 0.000) 0.000 2.899 ( 0.000 0.000 0.000) 0.000 2.900 ( 0.000 0.000 0.000) 0.000 2.943 ( 0.000 0.000 0.000) 0.000 2.986 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.079 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.262 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.375 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.542 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.735 ( 0.000 0.000 0.000) 0.000 3.848 ( 0.000 0.000 0.000) 0.000 3.978 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.213 ( 0.000 0.000 0.000) 0.000 4.303 ( 0.000 0.000 0.000) 0.000 4.498 ( 0.000 0.000 0.000) 0.000 4.576 ( 0.000 0.000 0.000) 0.000 4.693 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.778 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 4.864 ( 0.000 0.000 0.000) 0.000 4.928 ( 0.000 0.000 0.000) 0.000 5.004 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.117 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.464 ( 0.000 0.000 0.000) 0.000 5.550 ( 0.000 0.000 0.000) 0.000 5.671 ( 0.000 0.000 0.000) 0.000 5.703 ( 0.000 0.000 0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.727 ( 0.000 0.000 0.000) 0.000 5.737 ( 0.000 0.000 0.000) 0.000 5.927 ( 0.000 0.000 0.000) 0.000 5.987 ( 0.000 0.000 0.000) 0.000 6.215 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.587 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 6.707 ( 0.000 0.000 0.000) 0.000 6.853 ( 0.000 0.000 0.000) 0.000 7.005 ( 0.000 0.000 0.000) 0.000 7.057 ( 0.000 0.000 0.000) 0.000 7.136 ( 0.000 0.000 0.000) 0.000 7.221 ( 0.000 0.000 0.000) 0.000 8.210 ( 0.000 0.000 0.000) 0.000 8.420 ( 0.000 0.000 0.000) 0.000 8.536 ( 0.000 0.000 0.000) 0.000 8.605 ( 0.000 0.000 0.000) 0.000 8.651 ( 0.000 0.000 0.000) 0.000 8.770 ( 0.000 0.000 0.000) 0.000 8.770 ( 0.000 0.000 0.000) 0.000 8.837 ( 0.000 0.000 0.000) 0.000 8.930 ( 0.000 0.000 0.000) 0.000 9.003 ( 0.000 0.000 0.000) 0.000 9.017 ( 0.000 0.000 0.000) 0.000 9.113 ( 0.000 0.000 0.000) 0.000 9.128 ( 0.000 0.000 0.000) 0.000 9.207 ( 0.000 0.000 0.000) 0.000 9.313 ( 0.000 0.000 0.000) 0.000 9.418 ( 0.000 0.000 0.000) 0.000 9.629 ( 0.000 0.000 0.000) 0.000 9.928 ( 0.000 0.000 0.000) 0.000 10.072 ( 0.000 0.000 0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.288 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 0.000) 0.000 10.507 ( 0.000 0.000 0.000) 0.000 10.587 ( 0.000 0.000 0.000) 0.000 10.642 ( 0.000 0.000 0.000) 0.000 10.678 ( 0.000 0.000 0.000) 0.000 10.769 ( 0.000 0.000 0.000) 0.000 10.988 ( 0.000 0.000 0.000) 0.000 11.019 ( 0.000 0.000 0.000) 0.000 11.021 ( 0.000 0.000 0.000) 0.000 11.346 ( 0.000 0.000 0.000) 0.000 11.360 ( 0.000 0.000 0.000) 0.000 11.744 ( 0.000 0.000 0.000) 0.000 11.986 ( 0.000 0.000 0.000) 0.000 12.012 ( 0.000 0.000 0.000) 0.000 12.093 ( 0.000 0.000 0.000) 0.000 12.142 ( 0.000 0.000 0.000) 0.000 12.175 ( 0.000 0.000 0.000) 0.000 12.179 ( 0.000 0.000 0.000) 0.000 12.287 ( 0.000 0.000 0.000) 0.000 12.407 ( 0.000 0.000 0.000) 0.000 12.463 ( 0.000 0.000 0.000) 0.000 12.744 ( 0.000 0.000 0.000) 0.000 12.797 ( 0.000 0.000 0.000) 0.000 13.001 ( 0.000 0.000 0.000) 0.000 13.147 ( 0.000 0.000 0.000) 0.000 13.210 ( 0.000 0.000 0.000) 0.000 13.221 ( 0.000 0.000 0.000) 0.000 13.934 ( 0.000 0.000 0.000) 0.000 13.960 ( 0.000 0.000 0.000) 0.000 14.107 ( 0.000 0.000 0.000) 0.000 14.143 ( 0.000 0.000 0.000) 0.000 14.171 ( 0.000 0.000 0.000) 0.000 14.175 ( 0.000 0.000 0.000) 0.000 14.401 ( 0.000 0.000 0.000) 0.000 14.402 ( 0.000 0.000 0.000) 0.000 14.412 ( 0.000 0.000 0.000) 0.000 14.488 ( 0.000 0.000 0.000) 0.000 14.855 ( 0.000 0.000 0.000) 0.000 14.861 ( 0.000 0.000 0.000) 0.000 14.887 ( 0.000 0.000 0.000) 0.000 14.955 ( 0.000 0.000 0.000) 0.000 15.296 ( 0.000 0.000 0.000) 0.000 15.667 ( 0.000 0.000 0.000) 0.000 15.697 ( 0.000 0.000 0.000) 0.000 15.700 ( 0.000 0.000 0.000) 0.000 15.770 ( 0.000 0.000 0.000) 0.000 16.080 ( 0.000 0.000 0.000) 0.000 16.175 ( 0.000 0.000 0.000) 0.000 16.177 ( 0.000 0.000 0.000) 0.000 16.273 ( 0.000 0.000 0.000) 0.000 16.294 ( 0.000 0.000 0.000) 0.000 17.156 ( 0.000 0.000 0.000) 0.000 17.156 ( 0.000 0.000 0.000) 0.000 17.162 ( 0.000 0.000 0.000) 0.000 17.260 ( 0.000 0.000 0.000) 0.000 19.501 ( 0.000 0.000 0.000) 0.000 19.721 ( 0.000 0.000 0.000) 0.000 19.807 ( 0.000 0.000 0.000) 0.000 19.831 ( 0.000 0.000 0.000) 0.000 20.560 ( 0.000 0.000 0.000) 0.000 20.589 ( 0.000 0.000 0.000) 0.000 20.804 ( 0.000 0.000 0.000) 0.000 20.856 ( 0.000 0.000 0.000) 0.000 21.539 ( 0.000 0.000 0.000) 0.000 21.592 ( 0.000 0.000 0.000) 0.000 21.672 ( 0.000 0.000 0.000) 0.000 21.793 ( 0.000 0.000 0.000) 0.000 22.930 ( 0.000 0.000 0.000) 0.000 23.077 ( 0.000 0.000 0.000) 0.000 23.179 ( 0.000 0.000 0.000) 0.000 23.206 ( 0.000 0.000 0.000) 0.000 26.514 ( 0.000 0.000 0.000) 0.000 26.522 ( 0.000 0.000 0.000) 0.000 26.523 ( 0.000 0.000 0.000) 0.000 26.548 ( 0.000 0.000 0.000) 0.000 29.201 ( 0.000 0.000 0.000) 0.000 29.236 ( 0.000 0.000 0.000) 0.000 29.301 ( 0.000 0.000 0.000) 0.000 29.414 ( 0.000 0.000 0.000) 0.000 29.534 ( 0.000 0.000 0.000) 0.000 29.564 ( 0.000 0.000 0.000) 0.000 29.886 ( 0.000 0.000 0.000) 0.000 30.434 ( 0.000 0.000 0.000) 0.000 30.479 ( 0.000 0.000 0.000) 0.000 30.531 ( 0.000 0.000 0.000) 0.000 30.638 ( 0.000 0.000 0.000) 0.000 30.808 ( 0.000 0.000 0.000) 0.000 31.266 ( 0.000 0.000 0.000) 0.000 31.288 ( 0.000 0.000 0.000) 0.000 31.467 ( 0.000 0.000 0.000) 0.000 31.933 ( 0.000 0.000 0.000) 0.000 31.969 ( 0.000 0.000 0.000) 0.000 32.053 ( 0.000 0.000 0.000) 0.000 32.067 ( 0.000 0.000 0.000) 0.000 32.220 ( 0.000 0.000 0.000) 0.000 32.257 ( 0.000 0.000 0.000) 0.000 32.259 ( 0.000 0.000 0.000) 0.000 32.372 ( 0.000 0.000 0.000) 0.000 33.170 ( 0.000 0.000 0.000) 0.000 33.253 ( 0.000 0.000 0.000) 0.000 33.763 ( 0.000 0.000 0.000) 0.000 33.821 ( 0.000 0.000 0.000) 0.000 34.202 ( 0.000 0.000 0.000) 0.000 34.519 ( 0.000 0.000 0.000) 0.000 34.621 ( 0.000 0.000 0.000) 0.000 34.625 ( 0.000 0.000 0.000) 0.000 34.676 ( 0.000 0.000 0.000) 0.000 35.186 ( 0.000 0.000 0.000) 0.000 35.253 ( 0.000 0.000 0.000) 0.000 35.296 ( 0.000 0.000 0.000) 0.000 35.390 ( 0.000 0.000 0.000) 0.000 35.435 ( 0.000 0.000 0.000) 0.000 35.496 ( 0.000 0.000 0.000) 0.000 35.497 ( 0.000 0.000 0.000) 0.000 35.749 ( 0.000 0.000 0.000) 0.000 35.953 ( 0.000 0.000 0.000) 0.000 35.968 ( 0.000 0.000 0.000) 0.000 37.693 ( 0.000 0.000 0.000) 0.000 38.381 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/63) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 20.039 0.000 13.237) 24.016 0.552 ( 22.315 0.000 9.962) 24.437 1.019 ( 35.189 0.000 14.371) 38.010 1.113 ( 4.330 0.000 -0.200) 4.334 1.199 ( 1.758 0.000 2.639) 3.171 1.273 ( 8.655 0.000 5.962) 10.510 1.299 ( 1.599 0.000 3.837) 4.157 1.554 ( -4.157 0.000 3.184) 5.237 1.577 ( 5.202 0.000 7.284) 8.951 1.714 ( -2.289 0.000 -0.686) 2.390 1.797 ( -1.333 0.000 0.141) 1.341 2.006 ( -4.399 0.000 -1.700) 4.716 2.174 ( 5.483 0.000 -1.556) 5.700 2.192 ( -2.185 0.000 4.200) 4.735 2.303 ( -1.372 0.000 -4.043) 4.269 2.310 ( 2.416 0.000 -2.461) 3.449 2.489 ( 1.700 0.000 4.842) 5.132 2.544 ( 1.742 0.000 2.057) 2.696 2.567 ( 6.103 0.000 -0.724) 6.146 2.603 ( -6.185 0.000 0.501) 6.205 2.674 ( 5.309 0.000 4.487) 6.951 2.713 ( -4.169 0.000 5.296) 6.740 2.840 ( -4.418 0.000 -4.002) 5.961 2.880 ( -1.646 0.000 0.842) 1.849 2.917 ( -2.339 0.000 -9.376) 9.664 3.064 ( 5.660 0.000 1.253) 5.797 3.098 ( -4.020 0.000 0.758) 4.091 3.108 ( 8.831 0.000 0.007) 8.831 3.174 ( -5.213 0.000 -1.474) 5.418 3.250 ( -5.122 0.000 4.572) 6.865 3.312 ( 15.994 0.000 -3.767) 16.432 3.382 ( 3.426 0.000 0.108) 3.428 3.458 ( 2.563 0.000 -4.963) 5.586 3.576 ( 7.520 0.000 1.651) 7.699 3.810 ( 2.588 0.000 4.162) 4.901 3.817 ( 8.646 0.000 -1.761) 8.824 3.853 ( 1.852 0.000 -1.636) 2.471 4.006 ( 6.872 0.000 -0.731) 6.911 4.109 ( 3.630 0.000 2.495) 4.404 4.214 ( -4.693 0.000 13.330) 14.132 4.261 ( -6.425 0.000 -1.249) 6.545 4.265 ( 4.553 0.000 -8.440) 9.590 4.359 ( -2.438 0.000 -0.489) 2.486 4.619 ( -1.894 0.000 2.928) 3.487 4.668 ( -0.867 0.000 -7.549) 7.599 4.731 ( -4.672 0.000 -1.844) 5.023 4.794 ( -3.339 0.000 0.724) 3.416 4.818 ( -1.732 0.000 -5.450) 5.719 4.863 ( 2.687 0.000 -2.193) 3.469 4.899 ( -4.524 0.000 -6.499) 7.918 4.995 ( -7.630 0.000 -1.576) 7.791 5.014 ( 4.294 0.000 -5.052) 6.630 5.115 ( 5.584 0.000 -2.595) 6.158 5.193 ( -2.261 0.000 -1.324) 2.620 5.283 ( -5.917 0.000 -4.542) 7.459 5.322 ( 1.144 0.000 4.221) 4.373 5.405 ( -4.778 0.000 -2.899) 5.588 5.544 ( -1.533 0.000 0.357) 1.574 5.642 ( 3.782 0.000 -3.666) 5.268 5.736 ( 2.158 0.000 1.171) 2.455 5.827 ( 2.773 0.000 2.610) 3.808 5.831 ( 5.356 0.000 5.340) 7.564 5.915 ( -0.714 0.000 -1.657) 1.805 5.971 ( -7.988 0.000 8.205) 11.451 6.148 ( -0.594 0.000 10.161) 10.178 6.211 ( -0.418 0.000 0.804) 0.906 6.395 ( -8.440 0.000 4.490) 9.560 6.492 ( -2.995 0.000 -1.920) 3.557 6.585 ( -0.763 0.000 -1.450) 1.639 6.657 ( 0.686 0.000 3.007) 3.084 6.825 ( 5.958 0.000 2.838) 6.599 6.940 ( 5.023 0.000 1.892) 5.367 7.006 ( 0.278 0.000 -0.579) 0.642 7.021 ( -4.518 0.000 1.056) 4.640 7.201 ( -1.117 0.000 -1.897) 2.201 7.236 ( -6.124 0.000 12.269) 13.712 8.119 ( -8.834 0.000 -0.543) 8.851 8.237 ( -16.731 0.000 -1.601) 16.808 8.447 ( -9.934 0.000 -2.068) 10.147 8.519 ( -13.160 0.000 1.004) 13.198 8.669 ( 0.890 0.000 3.359) 3.475 8.753 ( -1.501 0.000 0.611) 1.621 8.827 ( 4.670 0.000 0.174) 4.673 8.834 ( 2.613 0.000 -5.343) 5.948 8.922 ( 0.979 0.000 0.062) 0.981 9.064 ( 3.279 0.000 1.777) 3.729 9.068 ( 3.650 0.000 -0.265) 3.659 9.141 ( 4.611 0.000 -1.428) 4.827 9.166 ( 2.965 0.000 -1.100) 3.162 9.252 ( 6.817 0.000 -0.464) 6.833 9.335 ( 3.611 0.000 -1.450) 3.891 9.450 ( 2.274 0.000 0.108) 2.276 9.662 ( 2.391 0.000 1.700) 2.933 9.910 ( -3.411 0.000 1.356) 3.671 10.019 ( -6.784 0.000 1.049) 6.864 10.108 ( -8.269 0.000 -1.299) 8.370 10.209 ( -3.789 0.000 -3.346) 5.055 10.279 ( -9.560 0.000 2.292) 9.831 10.444 ( -12.632 0.000 0.130) 12.633 10.458 ( -5.299 0.000 -0.180) 5.302 10.616 ( -4.501 0.000 -1.865) 4.872 10.622 ( -1.276 0.000 -2.114) 2.469 10.776 ( -1.627 0.000 3.122) 3.521 10.955 ( -5.535 0.000 -1.326) 5.692 11.140 ( 13.848 0.000 -0.774) 13.870 11.257 ( 9.777 0.000 -0.150) 9.778 11.375 ( 3.028 0.000 -1.414) 3.342 11.389 ( 4.265 0.000 0.433) 4.287 11.774 ( 4.096 0.000 -0.961) 4.207 11.941 ( -3.003 0.000 1.539) 3.374 12.074 ( -5.034 0.000 -0.886) 5.112 12.092 ( 5.568 0.000 -1.074) 5.670 12.139 ( -1.726 0.000 -0.572) 1.818 12.165 ( -0.350 0.000 -0.171) 0.390 12.188 ( 5.889 0.000 3.450) 6.825 12.291 ( -0.103 0.000 -0.078) 0.129 12.458 ( 4.861 0.000 -0.005) 4.861 12.479 ( 1.760 0.000 -1.739) 2.474 12.767 ( 1.522 0.000 1.246) 1.967 12.780 ( -1.515 0.000 -0.343) 1.554 13.020 ( 2.054 0.000 -0.078) 2.056 13.182 ( -2.175 0.000 -0.171) 2.182 13.320 ( 11.215 0.000 -0.330) 11.220 13.570 ( 12.193 0.000 -12.153) 17.215 13.823 ( -11.921 0.000 0.217) 11.923 13.841 ( -10.183 0.000 0.165) 10.184 14.065 ( -3.320 0.000 1.434) 3.616 14.139 ( -1.032 0.000 -0.759) 1.281 14.144 ( -0.892 0.000 -0.215) 0.917 14.191 ( -3.153 0.000 -0.041) 3.153 14.395 ( -0.179 0.000 1.026) 1.041 14.432 ( 4.109 0.000 0.050) 4.110 14.583 ( 8.113 0.000 0.938) 8.168 14.841 ( 10.963 0.000 -0.851) 10.996 14.955 ( 9.844 0.000 -0.458) 9.854 14.964 ( 11.168 0.000 -0.137) 11.169 15.062 ( 13.920 0.000 -2.807) 14.201 15.286 ( -3.061 0.000 3.599) 4.724 15.383 ( 4.372 0.000 -10.497) 11.371 15.564 ( -6.417 0.000 -0.979) 6.491 15.662 ( -2.921 0.000 0.084) 2.923 15.764 ( -1.845 0.000 1.845) 2.609 15.827 ( 11.304 0.000 -8.846) 14.354 16.046 ( -3.559 0.000 -4.431) 5.683 16.192 ( 1.407 0.000 0.788) 1.613 16.235 ( 4.217 0.000 1.409) 4.446 16.299 ( 3.933 0.000 -1.674) 4.275 16.530 ( 13.526 0.000 -26.145) 29.437 17.142 ( -0.206 0.000 -0.701) 0.731 17.162 ( 0.181 0.000 -0.027) 0.183 17.176 ( 0.125 0.000 1.064) 1.071 17.267 ( 0.451 0.000 0.346) 0.568 19.536 ( 2.854 0.000 1.071) 3.049 19.756 ( 5.312 0.000 -2.238) 5.765 19.809 ( -0.115 0.000 0.906) 0.914 19.855 ( 3.614 0.000 -1.216) 3.813 20.496 ( -6.479 0.000 -0.409) 6.492 20.546 ( -5.553 0.000 1.129) 5.666 20.792 ( -4.257 0.000 -1.304) 4.452 20.829 ( -3.362 0.000 0.382) 3.384 21.627 ( 8.121 0.000 1.936) 8.349 21.680 ( 0.665 0.000 5.729) 5.767 21.770 ( 8.072 0.000 0.456) 8.085 21.831 ( 4.957 0.000 -0.923) 5.042 22.883 ( -4.914 0.000 -0.445) 4.934 23.031 ( -3.848 0.000 -1.867) 4.277 23.094 ( -9.946 0.000 1.756) 10.100 23.166 ( -4.969 0.000 0.365) 4.983 26.594 ( 9.248 0.000 -0.089) 9.248 26.616 ( 12.409 0.000 -0.920) 12.443 26.664 ( 13.413 0.000 1.345) 13.480 27.543 ( 38.655 0.000 -52.083) 64.860 28.958 ( -23.020 0.000 0.027) 23.020 28.972 ( -21.849 0.000 1.471) 21.899 29.172 ( -11.169 0.000 0.927) 11.207 29.311 ( -18.551 0.000 1.291) 18.596 29.722 ( 18.175 0.000 1.421) 18.230 29.786 ( 18.003 0.000 -1.307) 18.050 30.136 ( 16.611 0.000 3.236) 16.923 30.490 ( 1.744 0.000 0.932) 1.977 30.535 ( 0.691 0.000 -0.087) 0.697 30.592 ( 4.033 0.000 -2.952) 4.998 30.704 ( 7.215 0.000 -0.357) 7.223 31.177 ( 23.001 0.000 -38.279) 44.658 31.270 ( 1.487 0.000 -2.776) 3.149 31.291 ( -0.759 0.000 1.491) 1.673 31.517 ( 2.696 0.000 1.998) 3.355 31.822 ( -7.051 0.000 0.433) 7.064 31.869 ( -8.813 0.000 -0.973) 8.867 31.994 ( -6.636 0.000 -2.805) 7.205 32.058 ( -5.823 0.000 -1.931) 6.134 32.264 ( 10.920 0.000 -0.705) 10.943 32.335 ( 8.737 0.000 0.780) 8.772 32.446 ( 13.855 0.000 -1.736) 13.964 32.548 ( 12.670 0.000 0.648) 12.686 33.122 ( -4.583 0.000 -3.880) 6.005 33.244 ( -2.738 0.000 2.447) 3.672 33.693 ( -4.260 0.000 -4.244) 6.013 33.733 ( -7.512 0.000 -19.883) 21.255 33.795 ( -9.763 0.000 -15.695) 18.484 34.607 ( -1.082 0.000 -1.375) 1.749 34.645 ( 3.450 0.000 5.630) 6.603 34.679 ( -1.006 0.000 1.146) 1.525 34.791 ( 0.834 0.000 -1.574) 1.781 35.273 ( 1.196 0.000 1.455) 1.883 35.342 ( 6.733 0.000 -12.619) 14.303 35.345 ( 2.317 0.000 4.349) 4.928 35.430 ( 2.403 0.000 2.856) 3.732 35.490 ( 4.203 0.000 -2.395) 4.837 35.513 ( 1.482 0.000 0.908) 1.739 35.717 ( -1.745 0.000 19.347) 19.426 35.920 ( -2.552 0.000 3.464) 4.303 36.038 ( 6.721 0.000 7.378) 9.980 36.972 ( -54.125 0.000 76.997) 94.117 37.581 ( -8.197 0.000 -6.069) 10.199 38.264 ( -12.273 0.000 -1.509) 12.365 ======================= Grid point 2 (3/63) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( 10.805 0.000 4.616) 11.749 0.987 ( 14.187 0.000 13.808) 19.797 1.206 ( 3.887 0.000 1.465) 4.154 1.218 ( 0.501 0.000 1.086) 1.196 1.282 ( 7.274 0.000 2.665) 7.746 1.429 ( 5.073 0.000 6.377) 8.149 1.578 ( 3.701 0.000 6.908) 7.837 1.683 ( -1.701 0.000 -0.903) 1.926 1.693 ( 5.326 0.000 0.855) 5.394 1.807 ( 2.051 0.000 4.952) 5.360 1.835 ( 3.480 0.000 3.020) 4.608 2.061 ( 16.329 0.000 2.011) 16.452 2.153 ( 1.899 0.000 -8.152) 8.371 2.248 ( 5.461 0.000 6.976) 8.859 2.330 ( 1.923 0.000 -1.724) 2.583 2.365 ( 4.557 0.000 11.513) 12.382 2.463 ( -6.514 0.000 1.982) 6.809 2.488 ( -7.577 0.000 -11.211) 13.531 2.558 ( -7.187 0.000 -11.373) 13.454 2.633 ( 4.905 0.000 5.944) 7.706 2.702 ( 4.958 0.000 -2.865) 5.726 2.761 ( -0.919 0.000 5.401) 5.478 2.833 ( 5.664 0.000 10.574) 11.995 2.939 ( 3.534 0.000 1.889) 4.007 2.975 ( 11.969 0.000 0.487) 11.979 3.072 ( 5.347 0.000 -1.036) 5.446 3.143 ( 1.882 0.000 4.720) 5.081 3.178 ( 4.309 0.000 0.090) 4.310 3.249 ( 10.772 0.000 -4.524) 11.683 3.269 ( 1.307 0.000 5.836) 5.980 3.479 ( 3.348 0.000 5.157) 6.149 3.486 ( 0.802 0.000 1.233) 1.471 3.527 ( 13.629 0.000 -2.933) 13.942 3.653 ( -2.299 0.000 -2.431) 3.346 3.731 ( -4.099 0.000 -2.415) 4.757 3.865 ( 3.473 0.000 -4.396) 5.602 3.969 ( 4.647 0.000 1.936) 5.034 4.030 ( -0.988 0.000 -4.422) 4.531 4.089 ( 5.286 0.000 -4.692) 7.068 4.205 ( 1.303 0.000 -6.487) 6.616 4.270 ( -7.298 0.000 9.670) 12.115 4.320 ( 1.915 0.000 5.719) 6.031 4.406 ( 0.653 0.000 0.574) 0.869 4.504 ( -7.746 0.000 -8.998) 11.872 4.594 ( 3.492 0.000 -0.337) 3.508 4.640 ( -4.673 0.000 2.641) 5.368 4.700 ( -2.393 0.000 -3.058) 3.883 4.700 ( -2.379 0.000 -7.162) 7.547 4.758 ( 0.179 0.000 -7.226) 7.228 4.852 ( -0.853 0.000 -0.970) 1.292 4.892 ( -4.054 0.000 1.522) 4.330 5.069 ( -2.048 0.000 -1.891) 2.787 5.084 ( -3.503 0.000 -3.442) 4.911 5.182 ( 3.079 0.000 0.392) 3.104 5.207 ( 3.425 0.000 -1.313) 3.668 5.257 ( -5.727 0.000 -3.447) 6.684 5.394 ( -0.358 0.000 3.926) 3.942 5.515 ( -0.752 0.000 -0.769) 1.075 5.707 ( 8.041 0.000 -3.168) 8.643 5.773 ( -14.689 0.000 5.518) 15.691 5.786 ( 2.587 0.000 -2.180) 3.383 5.839 ( -4.014 0.000 -0.874) 4.108 5.971 ( 2.766 0.000 3.219) 4.244 5.979 ( 2.584 0.000 -0.504) 2.633 6.237 ( 1.891 0.000 1.180) 2.229 6.276 ( 2.207 0.000 4.042) 4.605 6.372 ( 3.767 0.000 4.058) 5.537 6.407 ( -3.112 0.000 -2.181) 3.800 6.577 ( 1.107 0.000 -0.334) 1.156 6.733 ( 2.197 0.000 4.060) 4.617 6.919 ( 0.958 0.000 -0.462) 1.064 6.965 ( -0.719 0.000 0.854) 1.116 6.980 ( -1.523 0.000 -3.116) 3.468 7.011 ( 1.673 0.000 0.408) 1.721 7.131 ( -3.619 0.000 -2.712) 4.522 7.279 ( -3.873 0.000 7.325) 8.286 7.899 ( -17.167 0.000 -3.314) 17.484 7.938 ( -10.466 0.000 -0.402) 10.474 8.192 ( -14.007 0.000 -3.566) 14.454 8.301 ( -13.490 0.000 2.338) 13.691 8.727 ( 0.179 0.000 3.753) 3.757 8.745 ( -0.830 0.000 1.630) 1.829 8.807 ( 3.084 0.000 -5.512) 6.316 8.902 ( 3.532 0.000 0.186) 3.537 8.968 ( 2.209 0.000 1.720) 2.800 9.123 ( 2.381 0.000 -0.466) 2.426 9.125 ( 3.039 0.000 0.387) 3.064 9.184 ( 2.087 0.000 -2.696) 3.409 9.260 ( 9.083 0.000 1.877) 9.275 9.372 ( 5.973 0.000 -0.992) 6.054 9.397 ( 5.233 0.000 -1.352) 5.404 9.467 ( -0.171 0.000 -0.109) 0.203 9.753 ( 4.551 0.000 2.279) 5.090 9.813 ( -9.704 0.000 -0.914) 9.747 9.887 ( -10.186 0.000 3.026) 10.626 9.911 ( -10.409 0.000 0.316) 10.414 10.104 ( -12.164 0.000 0.677) 12.183 10.112 ( -2.505 0.000 -4.170) 4.865 10.263 ( -8.331 0.000 2.009) 8.570 10.333 ( -7.214 0.000 -2.170) 7.534 10.526 ( -3.325 0.000 -0.524) 3.367 10.570 ( -1.864 0.000 -1.383) 2.321 10.758 ( -4.321 0.000 1.785) 4.675 10.828 ( -6.560 0.000 -0.964) 6.630 11.374 ( 13.201 0.000 -0.401) 13.207 11.406 ( 4.464 0.000 0.359) 4.479 11.457 ( 9.302 0.000 -0.768) 9.334 11.488 ( 5.709 0.000 1.001) 5.796 11.854 ( 5.635 0.000 -0.405) 5.649 11.924 ( -1.055 0.000 0.607) 1.217 11.990 ( -2.527 0.000 0.123) 2.530 12.077 ( -2.887 0.000 -0.131) 2.889 12.150 ( -0.758 0.000 -0.763) 1.075 12.199 ( 6.005 0.000 -1.533) 6.197 12.296 ( 2.013 0.000 -0.308) 2.037 12.347 ( 5.449 0.000 3.330) 6.386 12.470 ( 0.520 0.000 -1.244) 1.348 12.543 ( 3.682 0.000 0.832) 3.775 12.747 ( -1.794 0.000 -0.133) 1.799 12.797 ( -0.459 0.000 0.225) 0.512 13.068 ( 3.672 0.000 0.183) 3.676 13.161 ( 0.595 0.000 -0.164) 0.617 13.562 ( 13.139 0.000 0.461) 13.147 13.629 ( -8.481 0.000 0.409) 8.491 13.652 ( -7.438 0.000 -0.775) 7.478 13.665 ( 7.765 0.000 -4.253) 8.854 14.007 ( -3.419 0.000 0.056) 3.420 14.087 ( -4.358 0.000 1.621) 4.650 14.143 ( 0.592 0.000 1.306) 1.434 14.155 ( -1.595 0.000 -0.823) 1.795 14.414 ( 0.223 0.000 1.230) 1.250 14.459 ( -1.034 0.000 -1.125) 1.528 14.752 ( 9.987 0.000 0.188) 9.989 14.990 ( 6.051 0.000 -0.210) 6.055 15.100 ( 4.858 0.000 0.603) 4.895 15.178 ( 12.052 0.000 -0.649) 12.069 15.271 ( 5.851 0.000 -0.021) 5.851 15.324 ( -2.991 0.000 -0.745) 3.083 15.344 ( 11.442 0.000 0.772) 11.468 15.476 ( -1.406 0.000 -0.907) 1.674 15.656 ( 1.597 0.000 2.192) 2.712 15.764 ( -0.412 0.000 1.977) 2.020 15.835 ( -1.626 0.000 -4.257) 4.558 15.940 ( 3.120 0.000 -9.102) 9.622 16.224 ( 0.941 0.000 0.963) 1.346 16.321 ( 2.041 0.000 2.440) 3.181 16.351 ( 3.670 0.000 -1.638) 4.019 16.418 ( -0.489 0.000 -8.670) 8.684 17.136 ( 0.216 0.000 -0.359) 0.419 17.169 ( 0.391 0.000 0.474) 0.615 17.188 ( 0.056 0.000 0.616) 0.618 17.277 ( 0.107 0.000 0.176) 0.206 19.633 ( 7.333 0.000 0.426) 7.345 19.802 ( 4.078 0.000 -3.120) 5.135 19.875 ( 6.631 0.000 0.821) 6.682 19.922 ( 6.177 0.000 -1.856) 6.450 20.352 ( -9.489 0.000 0.062) 9.489 20.435 ( -9.012 0.000 1.371) 9.116 20.667 ( -7.223 0.000 -1.974) 7.488 20.753 ( -5.761 0.000 0.075) 5.762 21.807 ( 7.781 0.000 1.639) 7.952 21.827 ( 11.111 0.000 1.709) 11.241 21.939 ( 9.285 0.000 -1.233) 9.367 21.946 ( 11.518 0.000 0.456) 11.527 22.761 ( -7.744 0.000 -1.058) 7.816 22.910 ( -6.818 0.000 -2.060) 7.123 22.923 ( -12.749 0.000 3.095) 13.119 23.044 ( -9.399 0.000 0.202) 9.401 26.821 ( 16.483 0.000 0.469) 16.489 26.889 ( 19.125 0.000 -1.185) 19.161 26.997 ( 21.894 0.000 3.379) 22.153 27.581 ( 20.694 0.000 -23.709) 31.469 28.548 ( -23.720 0.000 0.054) 23.720 28.602 ( -21.498 0.000 -0.016) 21.498 28.920 ( -18.866 0.000 0.603) 18.875 28.995 ( -19.872 0.000 0.835) 19.889 30.035 ( 15.834 0.000 1.392) 15.895 30.063 ( 15.092 0.000 -0.762) 15.111 30.383 ( 8.187 0.000 0.739) 8.221 30.558 ( 1.651 0.000 0.479) 1.719 30.606 ( 8.679 0.000 3.116) 9.221 30.642 ( 6.282 0.000 -3.200) 7.050 30.858 ( 11.196 0.000 -1.267) 11.267 31.078 ( 5.594 0.000 -16.795) 17.702 31.233 ( -2.713 0.000 -1.450) 3.076 31.280 ( -5.342 0.000 3.944) 6.640 31.523 ( -5.117 0.000 0.147) 5.119 31.699 ( -9.049 0.000 -0.879) 9.092 31.762 ( -0.282 0.000 0.016) 0.283 31.887 ( -3.183 0.000 -1.148) 3.384 31.990 ( 3.135 0.000 -1.757) 3.594 32.477 ( 12.025 0.000 0.776) 12.050 32.514 ( 7.331 0.000 0.579) 7.354 32.556 ( 4.038 0.000 -10.942) 11.663 32.776 ( 13.184 0.000 -0.173) 13.185 32.913 ( 1.560 0.000 -13.587) 13.677 33.227 ( -3.722 0.000 4.141) 5.568 33.321 ( -6.223 0.000 -8.429) 10.477 33.545 ( -6.331 0.000 -3.910) 7.441 33.608 ( -8.300 0.000 -4.574) 9.477 34.557 ( -1.932 0.000 -2.251) 2.967 34.653 ( -2.620 0.000 -0.474) 2.663 34.761 ( 3.210 0.000 4.065) 5.179 34.813 ( 1.330 0.000 1.619) 2.095 35.301 ( 2.121 0.000 -6.461) 6.800 35.321 ( 1.684 0.000 1.756) 2.433 35.478 ( 3.544 0.000 8.607) 9.308 35.506 ( 2.470 0.000 0.961) 2.651 35.532 ( 3.445 0.000 -2.239) 4.108 35.605 ( 5.540 0.000 5.762) 7.994 35.773 ( -4.249 0.000 4.073) 5.886 35.918 ( -0.415 0.000 0.435) 0.601 36.361 ( 7.859 0.000 16.910) 18.647 37.001 ( -23.468 0.000 34.820) 41.991 37.283 ( -13.491 0.000 -10.439) 17.058 37.936 ( -20.703 0.000 -4.372) 21.159 ======================= Grid point 3 (4/63) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.107 ( 5.892 0.000 2.132) 6.266 1.217 ( 3.414 0.000 0.920) 3.536 1.244 ( -0.520 0.000 4.068) 4.101 1.248 ( -0.455 0.000 0.936) 1.041 1.502 ( -1.468 0.000 0.758) 1.652 1.561 ( 12.545 0.000 9.523) 15.750 1.693 ( 4.175 0.000 -0.339) 4.188 1.702 ( 1.594 0.000 -2.112) 2.646 1.853 ( 4.876 0.000 10.328) 11.421 1.915 ( -0.312 0.000 4.349) 4.360 1.934 ( 12.918 0.000 1.108) 12.965 2.060 ( -12.131 0.000 -9.706) 15.536 2.119 ( -1.247 0.000 -10.007) 10.085 2.120 ( 0.810 0.000 -3.862) 3.946 2.303 ( -1.974 0.000 -0.277) 1.993 2.363 ( 4.606 0.000 -4.527) 6.458 2.414 ( -1.553 0.000 3.623) 3.942 2.538 ( -4.002 0.000 2.760) 4.861 2.594 ( 0.207 0.000 6.879) 6.882 2.682 ( 6.404 0.000 8.749) 10.842 2.748 ( -7.441 0.000 -6.887) 10.139 2.796 ( 4.223 0.000 -0.687) 4.279 3.071 ( 0.244 0.000 4.157) 4.164 3.079 ( 5.041 0.000 4.224) 6.576 3.162 ( 19.570 0.000 7.564) 20.981 3.224 ( 4.588 0.000 0.497) 4.615 3.258 ( 5.119 0.000 -0.287) 5.127 3.313 ( 14.338 0.000 -0.529) 14.348 3.390 ( -12.697 0.000 6.442) 14.238 3.412 ( 13.610 0.000 -1.770) 13.725 3.480 ( 10.784 0.000 4.352) 11.629 3.600 ( 4.731 0.000 2.616) 5.406 3.614 ( 4.452 0.000 0.796) 4.523 3.693 ( 1.706 0.000 4.626) 4.930 3.786 ( 5.188 0.000 -1.519) 5.405 3.815 ( -0.832 0.000 -6.970) 7.019 3.881 ( -5.481 0.000 -6.526) 8.522 3.976 ( -0.413 0.000 -2.188) 2.227 4.076 ( -3.828 0.000 -6.025) 7.138 4.134 ( -5.292 0.000 -2.398) 5.810 4.221 ( -2.638 0.000 -2.489) 3.626 4.301 ( -2.704 0.000 -6.107) 6.678 4.392 ( -0.218 0.000 -1.128) 1.149 4.427 ( 4.468 0.000 7.189) 8.464 4.571 ( -2.871 0.000 -3.340) 4.404 4.634 ( 0.624 0.000 -1.506) 1.630 4.637 ( 0.832 0.000 1.938) 2.109 4.710 ( -1.653 0.000 1.573) 2.281 4.727 ( 2.881 0.000 -3.235) 4.332 4.825 ( 1.208 0.000 1.642) 2.039 4.870 ( -3.998 0.000 6.700) 7.802 4.996 ( -4.124 0.000 2.726) 4.944 5.042 ( -0.751 0.000 0.225) 0.783 5.111 ( -3.266 0.000 -1.730) 3.696 5.197 ( 1.389 0.000 -8.464) 8.577 5.274 ( 4.041 0.000 -1.273) 4.237 5.394 ( -3.231 0.000 -1.218) 3.453 5.530 ( 1.883 0.000 1.373) 2.330 5.542 ( -13.499 0.000 2.266) 13.688 5.687 ( -3.011 0.000 -6.269) 6.954 5.799 ( 4.754 0.000 -1.423) 4.962 5.826 ( -2.660 0.000 1.682) 3.147 5.980 ( -1.992 0.000 0.149) 1.998 6.017 ( 0.699 0.000 0.483) 0.850 6.253 ( -1.015 0.000 -0.901) 1.358 6.369 ( 5.390 0.000 1.574) 5.615 6.409 ( 5.499 0.000 0.939) 5.579 6.530 ( 1.470 0.000 5.439) 5.634 6.644 ( 9.212 0.000 -0.581) 9.231 6.820 ( 1.926 0.000 3.747) 4.213 6.873 ( -3.981 0.000 -4.341) 5.889 6.882 ( -1.847 0.000 -1.585) 2.434 6.968 ( -1.942 0.000 -3.106) 3.663 7.040 ( 1.673 0.000 0.994) 1.946 7.047 ( -1.174 0.000 0.139) 1.182 7.261 ( -6.219 0.000 3.282) 7.031 7.617 ( -9.507 0.000 -3.134) 10.010 7.769 ( -7.548 0.000 -0.986) 7.612 7.927 ( -10.214 0.000 -3.458) 10.783 8.126 ( -9.330 0.000 1.554) 9.458 8.766 ( -0.367 0.000 3.286) 3.306 8.769 ( 0.307 0.000 2.345) 2.365 8.811 ( 3.832 0.000 -4.187) 5.676 8.951 ( 1.734 0.000 0.145) 1.740 9.020 ( 1.562 0.000 1.203) 1.972 9.148 ( 1.341 0.000 -0.376) 1.393 9.168 ( 0.018 0.000 -2.079) 2.079 9.187 ( 3.526 0.000 -0.271) 3.537 9.407 ( 0.744 0.000 -1.269) 1.471 9.447 ( 6.340 0.000 0.468) 6.357 9.456 ( -1.931 0.000 0.978) 2.164 9.488 ( 7.877 0.000 2.383) 8.230 9.599 ( -10.992 0.000 -0.710) 11.015 9.715 ( -7.913 0.000 0.462) 7.927 9.806 ( -2.160 0.000 -0.572) 2.235 9.903 ( -3.871 0.000 2.480) 4.598 9.903 ( -2.850 0.000 0.412) 2.880 10.025 ( -2.345 0.000 -2.499) 3.427 10.175 ( -6.655 0.000 -2.676) 7.173 10.207 ( -2.367 0.000 2.280) 3.286 10.493 ( -1.021 0.000 0.690) 1.232 10.532 ( -0.990 0.000 -0.507) 1.112 10.689 ( -4.036 0.000 -0.062) 4.036 10.726 ( -3.870 0.000 -0.643) 3.923 11.459 ( 1.964 0.000 -0.164) 1.970 11.556 ( 7.205 0.000 0.594) 7.229 11.587 ( 5.259 0.000 -0.123) 5.261 11.589 ( 4.366 0.000 0.466) 4.391 11.914 ( -0.401 0.000 0.090) 0.411 11.929 ( 2.828 0.000 0.640) 2.900 12.007 ( 2.077 0.000 0.845) 2.242 12.014 ( -3.368 0.000 -0.805) 3.463 12.135 ( 0.675 0.000 -0.293) 0.736 12.263 ( 3.395 0.000 -1.311) 3.639 12.374 ( 6.193 0.000 0.350) 6.203 12.378 ( -1.099 0.000 -1.356) 1.745 12.535 ( 4.742 0.000 1.691) 5.035 12.585 ( -0.387 0.000 0.995) 1.067 12.714 ( -2.280 0.000 0.474) 2.329 12.735 ( -5.772 0.000 -0.632) 5.807 13.159 ( 6.134 0.000 0.534) 6.157 13.200 ( 3.663 0.000 -0.160) 3.666 13.467 ( -7.005 0.000 0.520) 7.025 13.495 ( -7.907 0.000 -0.170) 7.909 13.791 ( 7.970 0.000 -2.102) 8.242 13.815 ( 11.029 0.000 -0.427) 11.037 13.965 ( -1.444 0.000 -0.242) 1.464 14.053 ( -1.744 0.000 1.266) 2.155 14.130 ( -0.246 0.000 0.629) 0.675 14.186 ( 2.121 0.000 1.891) 2.842 14.373 ( -6.129 0.000 -1.372) 6.281 14.421 ( -1.172 0.000 0.908) 1.483 14.913 ( 7.573 0.000 0.345) 7.581 15.043 ( 1.871 0.000 -0.622) 1.971 15.113 ( -3.830 0.000 2.087) 4.362 15.222 ( -6.956 0.000 -0.274) 6.962 15.339 ( 6.077 0.000 0.927) 6.147 15.361 ( 6.733 0.000 -0.907) 6.793 15.498 ( 2.347 0.000 -1.030) 2.563 15.534 ( 5.148 0.000 0.393) 5.163 15.725 ( 2.688 0.000 2.170) 3.455 15.766 ( 0.946 0.000 -1.962) 2.178 15.837 ( 5.890 0.000 1.275) 6.027 15.893 ( 1.725 0.000 -6.717) 6.935 16.255 ( 1.287 0.000 1.137) 1.717 16.297 ( -3.882 0.000 -1.824) 4.289 16.346 ( -2.146 0.000 1.742) 2.764 16.396 ( 2.353 0.000 -1.695) 2.900 17.138 ( 0.412 0.000 -0.308) 0.515 17.190 ( 1.082 0.000 0.796) 1.343 17.194 ( -0.044 0.000 0.387) 0.389 17.271 ( -0.628 0.000 -0.358) 0.723 19.794 ( 10.202 0.000 0.721) 10.227 19.860 ( 7.150 0.000 -2.606) 7.610 20.007 ( 5.312 0.000 -1.743) 5.591 20.012 ( 6.549 0.000 0.816) 6.600 20.190 ( -9.117 0.000 0.886) 9.160 20.278 ( -10.127 0.000 0.919) 10.169 20.522 ( -6.498 0.000 -1.259) 6.619 20.640 ( -6.254 0.000 -0.727) 6.296 21.960 ( 7.955 0.000 0.196) 7.957 22.011 ( 8.751 0.000 -0.233) 8.755 22.115 ( 10.925 0.000 -0.381) 10.932 22.156 ( 11.277 0.000 0.233) 11.279 22.610 ( -7.656 0.000 -0.779) 7.696 22.741 ( -11.406 0.000 2.588) 11.696 22.770 ( -6.793 0.000 -1.036) 6.871 22.866 ( -10.304 0.000 -0.142) 10.305 27.146 ( 18.720 0.000 1.199) 18.758 27.198 ( 17.777 0.000 -1.647) 17.854 27.480 ( 24.853 0.000 6.899) 25.793 27.661 ( 12.609 0.000 -10.975) 16.716 28.168 ( -19.876 0.000 0.605) 19.886 28.252 ( -16.758 0.000 -1.479) 16.823 28.581 ( -19.340 0.000 0.703) 19.352 28.636 ( -20.358 0.000 -2.923) 20.567 30.269 ( 9.112 0.000 -0.445) 9.123 30.295 ( 11.611 0.000 2.165) 11.812 30.486 ( 3.540 0.000 0.861) 3.643 30.584 ( -0.235 0.000 0.179) 0.295 30.726 ( 8.104 0.000 -3.388) 8.784 30.802 ( 9.918 0.000 1.325) 10.007 30.962 ( -3.497 0.000 -4.521) 5.716 31.029 ( 10.844 0.000 -2.918) 11.230 31.169 ( -0.201 0.000 -2.857) 2.864 31.195 ( -9.394 0.000 3.585) 10.055 31.374 ( -10.240 0.000 -0.112) 10.240 31.527 ( -9.211 0.000 -1.373) 9.312 31.807 ( 3.781 0.000 0.893) 3.885 31.852 ( -0.357 0.000 -0.063) 0.362 32.074 ( 6.305 0.000 -1.442) 6.467 32.253 ( -3.997 0.000 -16.257) 16.741 32.662 ( 7.247 0.000 1.202) 7.346 32.732 ( 8.571 0.000 4.216) 9.552 32.962 ( 10.176 0.000 -4.699) 11.209 32.985 ( 11.147 0.000 -0.719) 11.170 33.201 ( -4.754 0.000 0.937) 4.846 33.223 ( -2.146 0.000 3.161) 3.821 33.390 ( -9.622 0.000 -4.425) 10.591 33.396 ( -6.910 0.000 -1.054) 6.990 34.496 ( -1.728 0.000 -1.816) 2.507 34.589 ( -2.620 0.000 -1.488) 3.013 34.852 ( 2.734 0.000 1.771) 3.258 34.864 ( 0.759 0.000 3.093) 3.185 35.257 ( 0.336 0.000 -3.720) 3.735 35.364 ( 1.101 0.000 1.027) 1.506 35.537 ( 0.489 0.000 0.914) 1.037 35.540 ( 0.680 0.000 -2.088) 2.196 35.681 ( 6.043 0.000 9.026) 10.862 35.749 ( -1.513 0.000 0.961) 1.792 35.812 ( 7.387 0.000 7.084) 10.235 35.918 ( 0.227 0.000 -0.259) 0.345 36.646 ( 5.267 0.000 9.681) 11.021 36.912 ( -12.380 0.000 -10.310) 16.111 37.019 ( -11.203 0.000 15.993) 19.526 37.500 ( -19.318 0.000 -6.632) 20.425 ======================= Grid point 4 (5/63) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.000 0.000 0.000) 0.000 1.236 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 -0.000) 0.000 1.276 ( 0.000 0.000 0.000) 0.000 1.496 ( 0.000 0.000 0.000) 0.000 1.699 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 -0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 0.000) 0.000 1.931 ( 0.000 0.000 -0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.075 ( 0.000 0.000 0.000) 0.000 2.212 ( 0.000 0.000 0.000) 0.000 2.326 ( -0.000 0.000 0.000) 0.000 2.344 ( 0.000 0.000 -0.000) 0.000 2.352 ( 0.000 0.000 0.000) 0.000 2.489 ( 0.000 0.000 0.000) 0.000 2.618 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 -0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.932 ( -0.000 0.000 -0.000) 0.000 2.947 ( 0.000 0.000 0.000) 0.000 3.149 ( 0.000 0.000 0.000) 0.000 3.266 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.294 ( 0.000 0.000 0.000) 0.000 3.443 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.589 ( -0.000 0.000 0.000) 0.000 3.605 ( -0.000 0.000 -0.000) 0.000 3.642 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 -0.000) 0.000 3.652 ( -0.000 0.000 0.000) 0.000 3.769 ( 0.000 0.000 -0.000) 0.000 3.793 ( 0.000 0.000 -0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.090 ( 0.000 0.000 0.000) 0.000 4.113 ( -0.000 0.000 -0.000) 0.000 4.243 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 0.000) 0.000 4.539 ( 0.000 0.000 0.000) 0.000 4.590 ( 0.000 0.000 0.000) 0.000 4.605 ( -0.000 0.000 0.000) 0.000 4.659 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 4.746 ( 0.000 0.000 -0.000) 0.000 4.881 ( 0.000 0.000 0.000) 0.000 4.901 ( 0.000 0.000 -0.000) 0.000 4.975 ( 0.000 0.000 0.000) 0.000 5.050 ( -0.000 0.000 0.000) 0.000 5.123 ( 0.000 0.000 0.000) 0.000 5.131 ( -0.000 0.000 -0.000) 0.000 5.212 ( 0.000 0.000 0.000) 0.000 5.306 ( 0.000 0.000 0.000) 0.000 5.483 ( 0.000 0.000 -0.000) 0.000 5.580 ( -0.000 0.000 0.000) 0.000 5.597 ( 0.000 0.000 0.000) 0.000 5.798 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 5.954 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.234 ( 0.000 0.000 0.000) 0.000 6.457 ( 0.000 0.000 0.000) 0.000 6.502 ( 0.000 0.000 0.000) 0.000 6.537 ( -0.000 0.000 0.000) 0.000 6.780 ( -0.000 0.000 0.000) 0.000 6.786 ( 0.000 0.000 -0.000) 0.000 6.837 ( -0.000 0.000 0.000) 0.000 6.879 ( 0.000 0.000 0.000) 0.000 6.891 ( 0.000 0.000 -0.000) 0.000 7.051 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.176 ( 0.000 0.000 0.000) 0.000 7.519 ( 0.000 0.000 0.000) 0.000 7.689 ( 0.000 0.000 0.000) 0.000 7.808 ( 0.000 0.000 0.000) 0.000 8.046 ( 0.000 0.000 0.000) 0.000 8.789 ( 0.000 0.000 0.000) 0.000 8.795 ( 0.000 0.000 0.000) 0.000 8.815 ( 0.000 0.000 0.000) 0.000 8.965 ( 0.000 0.000 0.000) 0.000 9.044 ( 0.000 0.000 -0.000) 0.000 9.147 ( 0.000 0.000 0.000) 0.000 9.158 ( 0.000 0.000 -0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.405 ( 0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 0.000) 0.000 9.483 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 9.597 ( 0.000 0.000 0.000) 0.000 9.707 ( 0.000 0.000 0.000) 0.000 9.723 ( 0.000 0.000 0.000) 0.000 9.791 ( 0.000 0.000 0.000) 0.000 9.973 ( -0.000 0.000 -0.000) 0.000 9.986 ( 0.000 0.000 0.000) 0.000 10.085 ( 0.000 0.000 0.000) 0.000 10.205 ( 0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 0.000) 0.000 10.522 ( 0.000 0.000 0.000) 0.000 10.649 ( 0.000 0.000 0.000) 0.000 10.687 ( 0.000 0.000 0.000) 0.000 11.473 ( 0.000 0.000 0.000) 0.000 11.623 ( 0.000 0.000 0.000) 0.000 11.630 ( 0.000 0.000 0.000) 0.000 11.634 ( -0.000 0.000 -0.000) 0.000 11.913 ( 0.000 0.000 0.000) 0.000 11.964 ( 0.000 0.000 0.000) 0.000 11.972 ( 0.000 0.000 0.000) 0.000 12.026 ( 0.000 0.000 0.000) 0.000 12.156 ( 0.000 0.000 -0.000) 0.000 12.285 ( 0.000 0.000 0.000) 0.000 12.353 ( 0.000 0.000 0.000) 0.000 12.449 ( 0.000 0.000 0.000) 0.000 12.575 ( 0.000 0.000 0.000) 0.000 12.625 ( -0.000 0.000 -0.000) 0.000 12.630 ( 0.000 0.000 0.000) 0.000 12.692 ( 0.000 0.000 0.000) 0.000 13.243 ( 0.000 0.000 0.000) 0.000 13.244 ( 0.000 0.000 0.000) 0.000 13.402 ( 0.000 0.000 0.000) 0.000 13.405 ( -0.000 0.000 0.000) 0.000 13.849 ( 0.000 0.000 0.000) 0.000 13.901 ( 0.000 0.000 0.000) 0.000 13.952 ( 0.000 0.000 0.000) 0.000 14.063 ( -0.000 0.000 0.000) 0.000 14.146 ( 0.000 0.000 0.000) 0.000 14.232 ( 0.000 0.000 0.000) 0.000 14.283 ( 0.000 0.000 0.000) 0.000 14.407 ( 0.000 0.000 0.000) 0.000 14.993 ( 0.000 0.000 0.000) 0.000 15.069 ( 0.000 0.000 0.000) 0.000 15.078 ( 0.000 0.000 0.000) 0.000 15.130 ( 0.000 0.000 -0.000) 0.000 15.416 ( 0.000 0.000 0.000) 0.000 15.441 ( 0.000 0.000 0.000) 0.000 15.489 ( -0.000 0.000 0.000) 0.000 15.539 ( 0.000 0.000 0.000) 0.000 15.786 ( 0.000 0.000 0.000) 0.000 15.797 ( -0.000 0.000 0.000) 0.000 15.845 ( 0.000 0.000 0.000) 0.000 15.908 ( 0.000 0.000 0.000) 0.000 16.248 ( 0.000 0.000 0.000) 0.000 16.287 ( 0.000 0.000 0.000) 0.000 16.318 ( 0.000 0.000 0.000) 0.000 16.405 ( 0.000 0.000 0.000) 0.000 17.140 ( 0.000 0.000 0.000) 0.000 17.197 ( 0.000 0.000 0.000) 0.000 17.212 ( 0.000 0.000 0.000) 0.000 17.256 ( 0.000 0.000 0.000) 0.000 19.954 ( 0.000 0.000 0.000) 0.000 19.960 ( -0.000 0.000 -0.000) 0.000 19.994 ( 0.000 0.000 0.000) 0.000 20.018 ( 0.000 0.000 0.000) 0.000 20.142 ( 0.000 0.000 0.000) 0.000 20.181 ( 0.000 0.000 0.000) 0.000 20.448 ( 0.000 0.000 0.000) 0.000 20.566 ( 0.000 0.000 0.000) 0.000 22.044 ( 0.000 0.000 0.000) 0.000 22.097 ( 0.000 0.000 0.000) 0.000 22.226 ( 0.000 0.000 0.000) 0.000 22.274 ( 0.000 0.000 0.000) 0.000 22.528 ( 0.000 0.000 0.000) 0.000 22.645 ( 0.000 0.000 0.000) 0.000 22.690 ( 0.000 0.000 0.000) 0.000 22.752 ( 0.000 0.000 0.000) 0.000 27.377 ( 0.000 0.000 0.000) 0.000 27.379 ( 0.000 0.000 0.000) 0.000 27.688 ( 0.000 0.000 0.000) 0.000 27.847 ( 0.000 0.000 0.000) 0.000 27.968 ( 0.000 0.000 0.000) 0.000 28.081 ( 0.000 0.000 0.000) 0.000 28.335 ( 0.000 0.000 0.000) 0.000 28.384 ( 0.000 0.000 -0.000) 0.000 30.348 ( 0.000 0.000 0.000) 0.000 30.448 ( 0.000 0.000 -0.000) 0.000 30.524 ( 0.000 0.000 0.000) 0.000 30.547 ( 0.000 0.000 0.000) 0.000 30.819 ( 0.000 0.000 -0.000) 0.000 30.861 ( -0.000 0.000 0.000) 0.000 30.939 ( 0.000 0.000 0.000) 0.000 31.074 ( 0.000 0.000 0.000) 0.000 31.153 ( 0.000 0.000 -0.000) 0.000 31.165 ( 0.000 0.000 0.000) 0.000 31.244 ( 0.000 0.000 0.000) 0.000 31.411 ( 0.000 0.000 0.000) 0.000 31.854 ( 0.000 0.000 0.000) 0.000 31.856 ( 0.000 0.000 -0.000) 0.000 32.115 ( 0.000 0.000 0.000) 0.000 32.123 ( 0.000 0.000 0.000) 0.000 32.736 ( 0.000 0.000 0.000) 0.000 32.859 ( 0.000 0.000 0.000) 0.000 33.045 ( 0.000 0.000 0.000) 0.000 33.097 ( 0.000 0.000 0.000) 0.000 33.162 ( 0.000 0.000 0.000) 0.000 33.225 ( 0.000 0.000 0.000) 0.000 33.238 ( 0.000 0.000 0.000) 0.000 33.312 ( 0.000 0.000 -0.000) 0.000 34.467 ( 0.000 0.000 0.000) 0.000 34.553 ( 0.000 0.000 0.000) 0.000 34.886 ( 0.000 0.000 0.000) 0.000 34.897 ( 0.000 0.000 0.000) 0.000 35.234 ( 0.000 0.000 -0.000) 0.000 35.380 ( 0.000 0.000 0.000) 0.000 35.527 ( 0.000 0.000 0.000) 0.000 35.546 ( 0.000 0.000 0.000) 0.000 35.744 ( 0.000 0.000 0.000) 0.000 35.826 ( 0.000 0.000 0.000) 0.000 35.918 ( 0.000 0.000 0.000) 0.000 35.939 ( 0.000 0.000 0.000) 0.000 36.713 ( 0.000 0.000 0.000) 0.000 36.758 ( 0.000 0.000 0.000) 0.000 37.018 ( 0.000 0.000 0.000) 0.000 37.252 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 9 (6/63) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 0.000 24.332 0.000) 24.332 0.579 ( 0.000 29.416 0.000) 29.416 0.943 ( 0.000 39.148 0.000) 39.148 1.114 ( 0.000 3.414 0.000) 3.414 1.157 ( 0.000 -1.894 0.000) 1.894 1.243 ( 0.000 1.093 0.000) 1.093 1.278 ( 0.000 -5.969 0.000) 5.969 1.401 ( 0.000 3.317 0.000) 3.317 1.525 ( 0.000 -8.852 0.000) 8.852 1.782 ( 0.000 0.541 0.000) 0.541 1.784 ( 0.000 1.722 0.000) 1.722 1.920 ( 0.000 -0.519 0.000) 0.519 2.110 ( 0.000 -10.823 0.000) 10.823 2.171 ( 0.000 6.152 0.000) 6.152 2.235 ( 0.000 2.661 0.000) 2.661 2.439 ( 0.000 0.602 0.000) 0.602 2.512 ( 0.000 4.262 0.000) 4.262 2.556 ( 0.000 14.489 0.000) 14.489 2.568 ( 0.000 -4.176 0.000) 4.176 2.571 ( 0.000 -1.818 0.000) 1.818 2.652 ( 0.000 -3.313 0.000) 3.313 2.759 ( 0.000 -5.114 0.000) 5.114 2.789 ( 0.000 -17.944 0.000) 17.944 2.878 ( 0.000 -2.851 0.000) 2.851 2.953 ( 0.000 0.780 0.000) 0.780 2.964 ( 0.000 -3.175 0.000) 3.175 3.015 ( 0.000 2.128 0.000) 2.128 3.075 ( 0.000 5.314 0.000) 5.314 3.217 ( 0.000 0.431 0.000) 0.431 3.235 ( 0.000 -5.843 0.000) 5.843 3.340 ( 0.000 -2.159 0.000) 2.159 3.351 ( 0.000 5.843 0.000) 5.843 3.429 ( 0.000 1.835 0.000) 1.835 3.556 ( 0.000 1.133 0.000) 1.133 3.674 ( 0.000 2.263 0.000) 2.263 3.677 ( 0.000 -4.060 0.000) 4.060 3.807 ( 0.000 -2.753 0.000) 2.753 3.958 ( 0.000 -9.001 0.000) 9.001 4.104 ( 0.000 4.446 0.000) 4.446 4.138 ( 0.000 -0.947 0.000) 0.947 4.204 ( 0.000 10.783 0.000) 10.783 4.420 ( 0.000 5.589 0.000) 5.589 4.516 ( 0.000 -0.940 0.000) 0.940 4.576 ( 0.000 0.386 0.000) 0.386 4.689 ( 0.000 -1.486 0.000) 1.486 4.717 ( 0.000 -4.438 0.000) 4.438 4.767 ( 0.000 1.035 0.000) 1.035 4.844 ( 0.000 2.282 0.000) 2.282 4.900 ( 0.000 -2.583 0.000) 2.583 4.937 ( 0.000 6.166 0.000) 6.166 5.029 ( 0.000 2.474 0.000) 2.474 5.112 ( 0.000 1.008 0.000) 1.008 5.140 ( 0.000 0.601 0.000) 0.601 5.245 ( 0.000 -4.626 0.000) 4.626 5.265 ( 0.000 2.433 0.000) 2.433 5.477 ( 0.000 -6.889 0.000) 6.889 5.522 ( 0.000 2.773 0.000) 2.773 5.583 ( 0.000 -6.174 0.000) 6.174 5.661 ( 0.000 -0.293 0.000) 0.293 5.681 ( 0.000 -2.703 0.000) 2.703 5.714 ( 0.000 2.974 0.000) 2.974 5.803 ( 0.000 3.203 0.000) 3.203 5.862 ( 0.000 -4.708 0.000) 4.708 5.984 ( 0.000 -2.923 0.000) 2.923 6.030 ( 0.000 1.504 0.000) 1.504 6.190 ( 0.000 -2.668 0.000) 2.668 6.397 ( 0.000 -0.628 0.000) 0.628 6.492 ( 0.000 -3.701 0.000) 3.701 6.602 ( 0.000 1.388 0.000) 1.388 6.699 ( 0.000 -3.618 0.000) 3.618 6.721 ( 0.000 1.559 0.000) 1.559 6.816 ( 0.000 -2.984 0.000) 2.984 7.007 ( 0.000 1.277 0.000) 1.277 7.138 ( 0.000 -2.230 0.000) 2.230 7.151 ( 0.000 4.834 0.000) 4.834 7.208 ( 0.000 0.414 0.000) 0.414 8.268 ( 0.000 5.756 0.000) 5.756 8.430 ( 0.000 0.908 0.000) 0.908 8.517 ( 0.000 -2.577 0.000) 2.577 8.564 ( 0.000 -6.231 0.000) 6.231 8.669 ( 0.000 5.211 0.000) 5.211 8.786 ( 0.000 1.336 0.000) 1.336 8.813 ( 0.000 2.151 0.000) 2.151 8.840 ( 0.000 2.536 0.000) 2.536 8.941 ( 0.000 0.833 0.000) 0.833 8.964 ( 0.000 -5.423 0.000) 5.423 9.026 ( 0.000 1.663 0.000) 1.663 9.079 ( 0.000 -3.207 0.000) 3.207 9.130 ( 0.000 -0.944 0.000) 0.944 9.162 ( 0.000 -3.888 0.000) 3.888 9.318 ( 0.000 0.308 0.000) 0.308 9.392 ( 0.000 -2.941 0.000) 2.941 9.663 ( 0.000 3.483 0.000) 3.483 9.867 ( 0.000 -6.181 0.000) 6.181 10.116 ( 0.000 3.405 0.000) 3.405 10.246 ( 0.000 -1.167 0.000) 1.167 10.258 ( 0.000 5.470 0.000) 5.470 10.342 ( 0.000 3.889 0.000) 3.889 10.482 ( 0.000 -2.792 0.000) 2.792 10.540 ( 0.000 -4.592 0.000) 4.592 10.639 ( 0.000 0.800 0.000) 0.800 10.746 ( 0.000 -3.349 0.000) 3.349 10.750 ( 0.000 6.148 0.000) 6.148 10.987 ( 0.000 -3.735 0.000) 3.735 11.038 ( 0.000 4.033 0.000) 4.033 11.062 ( 0.000 5.334 0.000) 5.334 11.261 ( 0.000 -6.978 0.000) 6.978 11.340 ( 0.000 -4.888 0.000) 4.888 11.784 ( 0.000 3.811 0.000) 3.811 11.945 ( 0.000 -3.457 0.000) 3.457 12.022 ( 0.000 1.155 0.000) 1.155 12.100 ( 0.000 -2.039 0.000) 2.039 12.169 ( 0.000 1.407 0.000) 1.407 12.174 ( 0.000 4.110 0.000) 4.110 12.276 ( 0.000 7.104 0.000) 7.104 12.370 ( 0.000 5.797 0.000) 5.797 12.495 ( 0.000 2.331 0.000) 2.331 12.636 ( 0.000 0.435 0.000) 0.435 12.698 ( 0.000 -4.908 0.000) 4.908 12.757 ( 0.000 -3.693 0.000) 3.693 13.041 ( 0.000 3.682 0.000) 3.682 13.139 ( 0.000 -0.770 0.000) 0.770 13.166 ( 0.000 -3.390 0.000) 3.390 13.195 ( 0.000 -2.716 0.000) 2.716 14.045 ( 0.000 9.551 0.000) 9.551 14.107 ( 0.000 0.975 0.000) 0.975 14.107 ( 0.000 -0.004 0.000) 0.004 14.177 ( 0.000 2.649 0.000) 2.649 14.191 ( 0.000 1.325 0.000) 1.325 14.342 ( 0.000 0.304 0.000) 0.304 14.368 ( 0.000 -3.511 0.000) 3.511 14.395 ( 0.000 -1.729 0.000) 1.729 14.448 ( 0.000 5.126 0.000) 5.126 14.805 ( 0.000 -8.261 0.000) 8.261 14.866 ( 0.000 0.676 0.000) 0.676 14.908 ( 0.000 5.710 0.000) 5.710 14.933 ( 0.000 -2.085 0.000) 2.085 15.227 ( 0.000 -7.055 0.000) 7.055 15.618 ( 0.000 0.818 0.000) 0.818 15.655 ( 0.000 -1.031 0.000) 1.031 15.708 ( 0.000 0.860 0.000) 0.860 15.758 ( 0.000 -1.225 0.000) 1.225 15.945 ( 0.000 3.485 0.000) 3.485 16.068 ( 0.000 -1.419 0.000) 1.419 16.183 ( 0.000 0.909 0.000) 0.909 16.186 ( 0.000 0.981 0.000) 0.981 16.256 ( 0.000 -1.584 0.000) 1.584 16.267 ( 0.000 -2.476 0.000) 2.476 17.161 ( 0.000 0.399 0.000) 0.399 17.169 ( 0.000 0.052 0.000) 0.052 17.178 ( 0.000 1.580 0.000) 1.580 17.247 ( 0.000 -1.290 0.000) 1.290 19.537 ( 0.000 3.780 0.000) 3.780 19.738 ( 0.000 1.709 0.000) 1.709 19.751 ( 0.000 -5.199 0.000) 5.199 19.819 ( 0.000 -1.534 0.000) 1.534 20.565 ( 0.000 0.529 0.000) 0.529 20.586 ( 0.000 -0.302 0.000) 0.302 20.814 ( 0.000 0.973 0.000) 0.973 20.860 ( 0.000 -0.916 0.000) 0.916 21.582 ( 0.000 -0.178 0.000) 0.178 21.588 ( 0.000 -0.366 0.000) 0.366 21.690 ( 0.000 1.721 0.000) 1.721 21.774 ( 0.000 -1.836 0.000) 1.836 22.950 ( 0.000 1.990 0.000) 1.990 23.055 ( 0.000 -2.425 0.000) 2.425 23.184 ( 0.000 0.477 0.000) 0.477 23.203 ( 0.000 -0.319 0.000) 0.319 26.513 ( 0.000 -0.001 0.000) 0.001 26.519 ( 0.000 -0.238 0.000) 0.238 26.550 ( 0.000 0.139 0.000) 0.139 26.550 ( 0.000 0.123 0.000) 0.123 29.215 ( 0.000 1.041 0.000) 1.041 29.235 ( 0.000 -0.129 0.000) 0.129 29.330 ( 0.000 3.022 0.000) 3.022 29.466 ( 0.000 1.974 0.000) 1.974 29.517 ( 0.000 1.609 0.000) 1.609 29.825 ( 0.000 -6.213 0.000) 6.213 30.438 ( 0.000 0.441 0.000) 0.441 30.461 ( 0.000 -0.518 0.000) 0.518 30.548 ( 0.000 1.639 0.000) 1.639 30.622 ( 0.000 -1.559 0.000) 1.559 30.792 ( 0.000 0.073 0.000) 0.073 30.803 ( 0.000 -0.414 0.000) 0.414 31.295 ( 0.000 2.918 0.000) 2.918 31.438 ( 0.000 -2.920 0.000) 2.920 31.953 ( 0.000 2.018 0.000) 2.018 31.983 ( 0.000 1.545 0.000) 1.545 32.035 ( 0.000 -1.714 0.000) 1.714 32.057 ( 0.000 -1.178 0.000) 1.178 32.220 ( 0.000 0.111 0.000) 0.111 32.237 ( 0.000 -0.958 0.000) 0.958 32.266 ( 0.000 0.403 0.000) 0.403 32.274 ( 0.000 0.403 0.000) 0.403 33.154 ( 0.000 0.152 0.000) 0.152 33.166 ( 0.000 -0.358 0.000) 0.358 33.770 ( 0.000 0.700 0.000) 0.700 33.811 ( 0.000 -0.987 0.000) 0.987 34.208 ( 0.000 0.562 0.000) 0.562 34.230 ( 0.000 -0.382 0.000) 0.382 34.528 ( 0.000 0.959 0.000) 0.959 34.586 ( 0.000 -1.872 0.000) 1.872 34.658 ( 0.000 1.730 0.000) 1.730 34.706 ( 0.000 -0.679 0.000) 0.679 35.208 ( 0.000 2.100 0.000) 2.100 35.270 ( 0.000 1.814 0.000) 1.814 35.287 ( 0.000 -1.117 0.000) 1.117 35.393 ( 0.000 0.337 0.000) 0.337 35.401 ( 0.000 -4.662 0.000) 4.662 35.425 ( 0.000 -1.108 0.000) 1.108 35.593 ( 0.000 4.880 0.000) 4.880 35.731 ( 0.000 -1.952 0.000) 1.952 35.952 ( 0.000 -0.064 0.000) 0.064 35.962 ( 0.000 -0.511 0.000) 0.511 37.959 ( 0.000 7.186 0.000) 7.186 38.308 ( 0.000 -7.289 0.000) 7.289 ======================= Grid point 10 (7/63) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.625 ( 9.717 20.289 6.820) 23.507 0.891 ( 14.366 14.590 13.871) 24.732 1.127 ( 6.240 3.694 1.443) 7.393 1.145 ( 7.916 4.527 -0.344) 9.125 1.198 ( 1.503 0.396 1.900) 2.455 1.278 ( 4.303 0.048 5.446) 6.941 1.425 ( 14.042 7.321 9.110) 18.269 1.457 ( -0.167 -5.387 4.511) 7.029 1.540 ( 5.638 0.917 2.564) 6.262 1.744 ( -2.072 3.821 -1.066) 4.475 1.785 ( -0.914 -0.659 -0.049) 1.128 1.976 ( -0.042 -2.559 2.742) 3.751 2.073 ( -0.983 -7.185 2.062) 7.539 2.189 ( 3.151 1.681 -7.500) 8.307 2.251 ( 1.913 0.621 4.344) 4.787 2.445 ( -5.243 2.740 -4.385) 7.364 2.505 ( -2.358 -0.711 -4.205) 4.873 2.526 ( 0.867 -1.857 3.066) 3.688 2.548 ( -3.429 -2.318 4.352) 6.006 2.619 ( 1.264 -0.058 2.794) 3.067 2.669 ( 6.125 3.971 1.641) 7.482 2.732 ( 6.866 2.689 4.756) 8.775 2.833 ( -1.227 -4.487 -0.475) 4.676 2.887 ( -2.139 2.185 -2.251) 3.797 2.929 ( -1.930 1.768 -5.540) 6.127 3.026 ( 7.522 -3.135 3.012) 8.688 3.064 ( 3.308 -0.831 -1.739) 3.829 3.153 ( -3.783 -2.517 -4.658) 6.507 3.190 ( 0.222 -1.985 2.338) 3.076 3.217 ( 0.281 -1.065 -0.379) 1.164 3.285 ( 11.045 1.980 0.188) 11.223 3.365 ( 2.388 2.358 2.754) 4.341 3.453 ( 0.293 -1.673 0.611) 1.805 3.573 ( 9.637 1.070 -4.062) 10.513 3.769 ( 7.310 -3.683 -1.978) 8.421 3.809 ( 4.456 -1.888 3.902) 6.216 3.895 ( 3.685 0.984 3.081) 4.903 3.983 ( 7.083 -2.315 -0.847) 7.499 4.120 ( -2.216 -3.306 1.318) 4.192 4.165 ( -2.504 1.428 4.071) 4.988 4.229 ( 2.436 7.281 1.683) 7.860 4.360 ( -8.327 4.032 -2.531) 9.592 4.424 ( -0.934 3.242 0.552) 3.419 4.572 ( -0.450 -3.514 -1.077) 3.703 4.653 ( -4.755 -4.323 4.067) 7.605 4.725 ( -3.407 -6.715 -3.380) 8.254 4.760 ( -1.314 2.480 -5.113) 5.832 4.816 ( -1.244 -3.253 -3.234) 4.753 4.834 ( -2.567 3.132 2.037) 4.533 4.944 ( -2.356 3.428 -4.935) 6.455 5.004 ( -3.756 3.255 -1.493) 5.189 5.090 ( 5.027 3.231 -3.311) 6.832 5.143 ( 1.100 1.099 -4.466) 4.729 5.174 ( 0.002 1.215 -2.927) 3.170 5.306 ( -0.891 2.767 3.159) 4.293 5.393 ( -5.466 4.196 -6.138) 9.228 5.471 ( -2.045 -6.278 1.349) 6.739 5.519 ( -3.003 6.825 -2.992) 8.035 5.647 ( 0.612 -8.730 2.089) 8.997 5.701 ( -1.639 3.766 -1.428) 4.348 5.758 ( 3.708 -1.626 1.188) 4.219 5.784 ( 0.805 -3.535 3.913) 5.334 5.840 ( 2.135 -5.377 -3.366) 6.694 5.976 ( -2.380 -1.843 1.424) 3.330 6.125 ( 4.393 -0.710 3.627) 5.741 6.210 ( 1.181 -1.908 1.734) 2.836 6.371 ( -5.225 -1.138 1.975) 5.700 6.459 ( -2.458 -3.309 -0.841) 4.207 6.593 ( 0.003 1.497 -0.739) 1.669 6.667 ( -0.365 -0.656 0.010) 0.751 6.822 ( 5.568 0.044 2.549) 6.124 6.888 ( 4.647 -3.325 1.966) 6.043 7.004 ( -0.542 0.709 0.026) 0.893 7.087 ( -4.572 1.624 0.618) 4.891 7.155 ( 0.005 -0.506 0.071) 0.511 7.239 ( -2.276 -0.341 5.327) 5.803 8.158 ( -9.837 4.775 0.245) 10.937 8.259 ( -15.596 2.220 -1.026) 15.787 8.396 ( -11.961 -4.227 -0.588) 12.700 8.451 ( -12.271 -6.466 0.805) 13.894 8.710 ( 0.903 4.054 3.279) 5.291 8.784 ( -1.854 2.222 0.581) 2.952 8.846 ( 2.876 1.912 -2.514) 4.272 8.850 ( 4.444 1.609 -1.274) 4.895 8.943 ( 1.606 2.043 -0.914) 2.755 9.029 ( 4.605 -3.669 -0.279) 5.895 9.067 ( 2.490 0.289 1.910) 3.151 9.108 ( 4.153 -2.830 -1.394) 5.215 9.151 ( 2.961 -1.661 -1.580) 3.744 9.218 ( 6.724 -3.412 -0.308) 7.546 9.345 ( 4.140 1.109 -1.461) 4.528 9.426 ( 2.751 -2.382 -0.070) 3.640 9.689 ( 1.478 2.812 2.029) 3.769 9.862 ( -2.050 -4.743 2.068) 5.565 10.036 ( -8.201 1.777 0.010) 8.391 10.143 ( -9.926 -1.513 -0.869) 10.079 10.198 ( -5.085 3.493 -2.587) 6.689 10.275 ( -7.288 1.202 0.907) 7.442 10.418 ( -11.072 -2.558 0.166) 11.365 10.440 ( -5.086 -1.477 0.068) 5.297 10.599 ( -3.611 1.464 -1.291) 4.105 10.703 ( -3.135 5.486 -1.518) 6.499 10.740 ( -2.369 -3.667 1.687) 4.681 10.915 ( -5.367 -3.792 -0.552) 6.595 11.181 ( 12.327 3.416 -0.733) 12.812 11.204 ( 12.124 -0.612 0.268) 12.143 11.317 ( 5.010 -4.562 0.988) 6.848 11.373 ( 4.677 -3.441 -1.080) 5.906 11.811 ( 3.201 3.876 -0.369) 5.040 11.946 ( -0.666 -0.111 1.327) 1.489 12.060 ( 3.875 -2.411 -1.487) 4.800 12.092 ( 0.024 -1.196 -1.027) 1.576 12.143 ( -1.534 2.158 1.347) 2.971 12.172 ( -1.947 2.218 1.315) 3.232 12.247 ( -0.860 5.878 -0.091) 5.942 12.362 ( -1.555 4.345 0.575) 4.651 12.494 ( 0.367 1.300 -1.092) 1.737 12.576 ( -0.206 6.649 -0.332) 6.660 12.703 ( -0.027 -5.334 -0.337) 5.345 12.772 ( 0.525 -2.385 0.808) 2.573 13.064 ( 3.023 4.633 0.037) 5.532 13.162 ( 0.501 -0.570 -0.206) 0.787 13.267 ( 8.919 -4.877 -0.652) 10.186 13.343 ( 12.628 -9.900 -1.539) 16.120 13.935 ( -10.289 6.099 0.391) 11.967 13.965 ( -10.149 6.966 -1.125) 12.362 14.055 ( -5.403 -1.152 0.887) 5.595 14.138 ( -5.197 -0.669 -0.758) 5.294 14.168 ( 1.309 3.979 0.760) 4.257 14.319 ( 0.864 5.426 -2.096) 5.881 14.440 ( 4.255 -0.247 0.395) 4.280 14.447 ( 1.152 2.798 1.715) 3.478 14.571 ( 10.205 2.095 0.794) 10.448 14.882 ( 9.517 -1.776 -0.596) 9.700 14.954 ( 7.988 0.425 -0.187) 8.001 14.978 ( 8.939 -0.748 -0.713) 8.999 15.073 ( 13.812 1.952 -2.550) 14.180 15.235 ( -1.913 -4.110 3.782) 5.904 15.451 ( -6.891 6.265 -6.881) 11.579 15.561 ( -7.169 -0.351 -0.803) 7.222 15.670 ( -3.437 0.945 0.364) 3.583 15.728 ( -1.619 -2.271 1.083) 2.991 15.842 ( 6.852 1.404 -7.442) 10.213 15.999 ( -4.334 -4.393 -3.773) 7.233 16.219 ( 2.743 2.427 0.033) 3.663 16.245 ( 4.492 1.236 0.444) 4.680 16.281 ( 3.886 -1.543 -1.078) 4.318 16.427 ( 10.476 -7.283 -11.393) 17.106 17.158 ( -0.442 0.880 -0.363) 1.049 17.164 ( -0.025 0.173 0.151) 0.230 17.188 ( 0.347 1.328 0.689) 1.536 17.254 ( 0.406 -1.265 0.454) 1.404 19.565 ( 3.193 3.142 -0.026) 4.480 19.748 ( 2.803 -3.432 -2.917) 5.305 19.782 ( 3.061 0.179 1.239) 3.307 19.843 ( 3.942 -1.310 -1.578) 4.444 20.508 ( -6.110 0.982 -0.385) 6.200 20.542 ( -5.461 -0.456 0.773) 5.535 20.790 ( -3.602 0.274 -0.593) 3.661 20.824 ( -3.743 -0.725 0.059) 3.813 21.637 ( 6.806 1.274 2.297) 7.296 21.690 ( 4.729 -0.004 4.323) 6.407 21.758 ( 8.528 -0.146 -1.505) 8.661 21.817 ( 5.210 -1.654 -0.896) 5.539 22.901 ( -4.493 1.830 -1.283) 5.018 23.005 ( -4.090 -2.519 -1.967) 5.190 23.095 ( -10.053 0.097 1.632) 10.185 23.122 ( -7.276 -2.334 1.470) 7.782 26.598 ( 9.785 0.452 -0.109) 9.796 26.617 ( 12.345 -0.128 -0.608) 12.361 26.681 ( 14.527 2.171 0.663) 14.703 27.014 ( 36.244 -23.126 -9.986) 44.138 28.980 ( -21.189 5.050 -0.142) 21.783 29.097 ( -18.198 3.265 0.536) 18.496 29.156 ( -13.226 -1.656 0.620) 13.343 29.261 ( -18.353 -5.058 1.447) 19.092 29.773 ( 19.049 6.591 0.672) 20.169 30.048 ( 14.511 -3.448 0.702) 14.931 30.305 ( -3.510 14.291 -3.139) 15.047 30.473 ( 0.998 -1.462 0.542) 1.852 30.564 ( 2.756 2.424 -0.943) 3.790 30.626 ( 3.610 1.366 -3.566) 5.255 30.728 ( 4.108 3.692 0.247) 5.528 30.953 ( 9.264 -8.320 -5.272) 13.522 31.299 ( 0.689 3.010 -1.228) 3.323 31.456 ( 0.672 -3.076 0.837) 3.258 31.822 ( -12.073 6.301 -4.005) 14.195 31.860 ( -8.006 5.745 -3.426) 10.432 31.893 ( -7.795 2.578 -1.692) 8.382 32.029 ( -5.995 -2.763 -1.848) 6.855 32.151 ( 0.129 16.325 -19.653) 25.549 32.279 ( 10.004 1.085 -1.903) 10.241 32.357 ( 7.782 3.949 -6.176) 10.691 32.442 ( 13.044 -0.422 -1.807) 13.175 32.676 ( 2.825 18.122 -20.872) 27.785 33.103 ( -5.003 -2.116 -6.153) 8.207 33.284 ( -4.171 5.109 -3.026) 7.256 33.657 ( -8.869 -5.345 -21.915) 24.238 33.727 ( -6.182 0.092 -11.062) 12.673 33.772 ( -7.317 -1.837 -8.378) 11.274 34.610 ( -0.831 0.319 -0.792) 1.191 34.633 ( 1.409 -0.861 3.031) 3.452 34.700 ( 0.788 1.789 2.726) 3.355 34.776 ( 1.178 -1.510 -0.373) 1.951 35.285 ( 1.139 1.233 1.287) 2.116 35.342 ( 2.796 -0.534 0.685) 2.928 35.351 ( 5.613 1.077 -4.579) 7.324 35.412 ( 1.623 -2.027 1.484) 2.990 35.458 ( 3.969 -0.452 0.359) 4.011 35.521 ( 4.612 -1.302 -2.358) 5.341 35.758 ( -4.132 4.204 19.261) 20.143 35.905 ( -3.218 -1.702 5.065) 6.238 36.056 ( 6.765 2.522 12.488) 14.425 36.533 ( -15.109 -27.239 63.372) 70.614 37.772 ( -14.051 12.081 -4.109) 18.981 38.187 ( -12.069 -7.715 -2.235) 14.498 ======================= Grid point 11 (8/63) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 11.064 6.352 9.246) 15.756 1.127 ( 5.263 4.027 3.171) 7.346 1.204 ( 1.901 1.280 0.024) 2.292 1.234 ( 1.646 1.032 3.163) 3.712 1.281 ( 8.079 0.753 3.140) 8.701 1.493 ( 3.863 2.858 7.235) 8.686 1.551 ( 8.359 -1.022 6.287) 10.509 1.684 ( 0.401 1.597 -1.506) 2.231 1.708 ( 2.502 -0.251 3.004) 3.918 1.757 ( 6.559 -3.153 4.032) 8.319 1.867 ( 2.823 2.662 1.153) 4.048 2.030 ( 7.696 -1.632 -1.787) 8.068 2.164 ( 1.265 -1.607 1.547) 2.565 2.225 ( 10.879 0.688 4.913) 11.957 2.302 ( 0.043 -0.764 -0.477) 0.902 2.353 ( 0.628 -2.058 0.429) 2.194 2.383 ( -4.211 -3.923 -1.728) 6.009 2.510 ( -2.726 -0.974 -2.562) 3.866 2.588 ( -0.869 -1.707 1.355) 2.346 2.636 ( -3.208 2.531 -2.293) 4.685 2.680 ( -6.180 -0.899 1.721) 6.478 2.798 ( 2.817 5.519 0.600) 6.225 2.878 ( 7.608 -2.829 2.015) 8.363 2.918 ( 3.548 -0.694 3.047) 4.728 2.974 ( 1.286 0.355 2.655) 2.971 3.053 ( 11.274 3.279 0.120) 11.741 3.135 ( 2.245 -0.319 2.527) 3.395 3.216 ( 1.661 -3.276 3.379) 4.991 3.252 ( 15.106 4.370 0.528) 15.735 3.327 ( 8.481 2.785 0.154) 8.928 3.435 ( 4.799 0.358 0.010) 4.812 3.501 ( 6.822 0.881 1.654) 7.075 3.566 ( 10.075 2.837 0.071) 10.467 3.680 ( 7.592 1.452 -2.661) 8.175 3.792 ( -8.408 6.059 1.860) 10.529 3.856 ( 3.009 -2.007 -5.007) 6.177 3.936 ( 0.845 -2.952 2.266) 3.816 4.059 ( -3.798 -0.792 -5.407) 6.655 4.065 ( 4.748 -0.811 -0.890) 4.898 4.183 ( 2.069 -2.478 3.456) 4.729 4.260 ( -1.406 0.756 -2.465) 2.936 4.345 ( -1.460 3.156 6.214) 7.120 4.392 ( -2.541 -0.286 -0.090) 2.558 4.513 ( -6.357 -2.120 -4.867) 8.282 4.587 ( 1.783 -2.376 -2.099) 3.637 4.609 ( -1.068 -0.717 -1.527) 1.996 4.687 ( -3.546 -0.296 -2.542) 4.373 4.749 ( 0.762 1.657 -0.628) 1.929 4.790 ( -2.785 3.413 -2.357) 4.996 4.865 ( -0.720 2.958 -3.225) 4.435 4.915 ( -3.903 3.496 0.700) 5.287 5.030 ( -3.875 -1.716 -2.091) 4.726 5.160 ( 3.333 2.901 -3.052) 5.370 5.199 ( -6.204 3.454 -1.119) 7.188 5.217 ( 3.304 3.661 -0.806) 4.997 5.362 ( -3.840 -2.236 1.276) 4.623 5.376 ( -3.773 6.616 -4.392) 8.792 5.455 ( 1.075 -3.874 -3.017) 5.027 5.634 ( -6.846 -11.456 2.371) 13.554 5.714 ( 2.541 -1.223 -0.635) 2.891 5.765 ( -3.507 -5.552 -1.637) 6.768 5.805 ( 1.343 0.467 -0.163) 1.432 5.885 ( 4.498 -6.859 -0.668) 8.230 5.947 ( -1.360 -3.232 -0.112) 3.509 6.231 ( 2.220 0.518 2.264) 3.213 6.296 ( 5.543 0.534 2.519) 6.112 6.371 ( 3.980 0.325 3.709) 5.450 6.409 ( -1.912 -0.586 -0.206) 2.011 6.598 ( 1.432 2.209 -0.285) 2.648 6.706 ( 2.126 -2.413 2.505) 4.076 6.910 ( 2.695 -0.317 -0.550) 2.768 6.953 ( 0.955 -1.041 0.456) 1.484 6.979 ( -1.722 -0.273 -1.966) 2.628 7.024 ( -1.777 -0.610 -1.060) 2.158 7.119 ( -3.481 0.996 -0.724) 3.692 7.255 ( -4.431 -2.583 5.582) 7.580 7.932 ( -16.094 3.485 -2.293) 16.626 7.994 ( -10.861 5.222 -0.073) 12.051 8.141 ( -14.193 -4.803 -2.787) 15.241 8.242 ( -12.576 -5.534 1.636) 13.837 8.751 ( -0.133 2.390 2.663) 3.581 8.773 ( -0.727 1.922 1.283) 2.423 8.837 ( 2.497 3.015 -4.218) 5.755 8.915 ( 2.710 0.547 0.178) 2.770 8.981 ( 2.668 1.659 0.629) 3.204 9.093 ( 3.234 -2.621 0.184) 4.166 9.121 ( 2.573 -0.389 -0.464) 2.643 9.164 ( 2.852 -1.935 -2.352) 4.173 9.233 ( 7.949 -1.751 1.952) 8.370 9.332 ( 5.482 -3.881 -0.258) 6.722 9.410 ( 4.846 0.956 -1.501) 5.163 9.456 ( 1.733 -1.141 -0.792) 2.221 9.746 ( 0.315 0.525 2.161) 2.246 9.807 ( -8.410 -0.526 -0.431) 8.437 9.883 ( -9.633 -0.195 2.531) 9.962 9.959 ( -8.218 0.974 1.668) 8.442 10.044 ( -9.384 -1.462 -0.872) 9.538 10.142 ( -6.067 0.895 -1.583) 6.333 10.251 ( -8.155 -0.403 0.839) 8.208 10.321 ( -7.243 -1.368 -1.635) 7.550 10.517 ( -2.970 1.591 -1.102) 3.545 10.639 ( -2.155 4.962 -1.127) 5.526 10.693 ( -4.361 -5.132 0.913) 6.796 10.819 ( -5.144 -2.331 -0.344) 5.658 11.383 ( 11.492 0.856 -0.916) 11.561 11.394 ( 7.405 -0.742 -0.261) 7.446 11.432 ( 7.954 -1.099 0.531) 8.047 11.478 ( 7.008 -1.693 0.794) 7.253 11.876 ( 4.236 2.601 0.093) 4.972 11.951 ( -0.433 2.136 0.762) 2.309 12.040 ( -1.989 3.537 0.452) 4.083 12.085 ( -3.356 0.533 -0.347) 3.415 12.149 ( -0.102 -0.078 -0.393) 0.413 12.171 ( 3.979 -2.054 -0.687) 4.531 12.279 ( 2.201 -1.094 0.478) 2.504 12.347 ( -0.420 -1.076 0.665) 1.333 12.495 ( 1.370 3.100 0.263) 3.399 12.600 ( 1.973 4.413 -0.067) 4.835 12.697 ( -0.627 -4.426 0.423) 4.490 12.776 ( -1.369 -2.807 -0.083) 3.124 13.134 ( 4.928 6.607 0.049) 8.243 13.192 ( 3.302 4.169 -0.067) 5.319 13.420 ( 7.225 -7.959 -0.623) 10.767 13.487 ( 5.224 -8.061 -0.223) 9.608 13.798 ( -3.940 7.527 -0.266) 8.500 13.831 ( -1.900 9.684 -0.835) 9.904 13.986 ( -2.840 -2.370 0.390) 3.720 14.062 ( -2.135 -2.973 0.208) 3.666 14.199 ( -0.528 6.983 1.065) 7.084 14.286 ( -2.963 8.937 -0.400) 9.424 14.452 ( -2.355 1.990 0.829) 3.193 14.477 ( -0.689 2.319 -0.077) 2.421 14.750 ( 9.344 1.054 0.311) 9.408 15.005 ( 4.439 -0.787 0.097) 4.509 15.072 ( 1.719 -1.230 0.763) 2.247 15.166 ( 11.538 -1.266 -0.336) 11.613 15.245 ( 6.583 -1.354 0.068) 6.721 15.295 ( 2.847 -2.444 -0.080) 3.753 15.363 ( 5.413 1.180 -1.197) 5.668 15.447 ( -3.051 -2.815 -0.885) 4.244 15.673 ( 2.190 1.539 2.106) 3.406 15.740 ( 1.490 -1.970 1.749) 3.026 15.831 ( -0.890 -0.175 -4.291) 4.385 15.903 ( 3.023 -3.305 -7.822) 9.014 16.249 ( 0.659 2.393 0.182) 2.488 16.322 ( 1.785 0.093 2.063) 2.730 16.339 ( 3.422 -1.016 -1.248) 3.782 16.388 ( 0.313 -2.680 -6.067) 6.640 17.150 ( 0.053 1.126 -0.188) 1.143 17.169 ( 0.239 -0.033 0.494) 0.550 17.200 ( 0.179 1.228 0.384) 1.299 17.264 ( 0.121 -1.262 0.137) 1.275 19.650 ( 7.018 1.892 -0.225) 7.272 19.772 ( 4.265 -3.036 -2.503) 5.803 19.880 ( 7.205 0.555 -0.076) 7.226 19.913 ( 6.562 -0.812 -1.877) 6.874 20.366 ( -9.500 1.432 0.112) 9.608 20.425 ( -9.139 -0.990 1.033) 9.250 20.680 ( -6.933 1.261 -1.460) 7.196 20.740 ( -5.932 -1.244 -0.084) 6.062 21.819 ( 9.128 1.742 2.117) 9.531 21.852 ( 10.408 1.881 0.803) 10.607 21.922 ( 10.323 -1.378 -1.096) 10.472 21.930 ( 10.343 -1.910 0.058) 10.518 22.777 ( -7.485 1.657 -1.391) 7.792 22.882 ( -6.772 -2.793 -1.928) 7.575 22.923 ( -12.358 0.341 2.671) 12.648 22.998 ( -9.481 -3.718 1.308) 10.268 26.839 ( 17.352 1.795 0.638) 17.456 26.908 ( 20.606 0.706 -0.361) 20.621 26.999 ( 20.500 1.616 1.253) 20.601 27.367 ( 23.731 -16.173 -13.016) 31.530 28.595 ( -22.632 5.652 -0.344) 23.330 28.699 ( -24.212 6.264 -0.247) 25.010 28.877 ( -19.824 -4.309 0.315) 20.290 28.943 ( -20.762 -5.118 0.991) 21.406 30.086 ( 15.481 6.212 1.097) 16.717 30.221 ( 8.498 8.034 -0.249) 11.697 30.380 ( 7.573 0.932 0.611) 7.655 30.524 ( 2.790 -2.808 1.734) 4.321 30.637 ( 7.670 2.678 -1.862) 8.335 30.687 ( 7.363 3.080 -1.464) 8.114 30.839 ( 8.159 -0.704 -2.101) 8.455 31.006 ( 5.439 -6.037 -4.834) 9.455 31.259 ( -3.681 4.423 -1.660) 5.989 31.432 ( -4.794 2.456 -0.872) 5.457 31.527 ( -9.347 7.731 -5.727) 13.414 31.732 ( -9.223 1.595 -2.264) 9.630 31.781 ( -0.819 2.150 0.387) 2.333 31.918 ( -1.832 1.141 -3.291) 3.936 31.983 ( 3.828 3.787 -6.554) 8.483 32.437 ( 4.783 -5.608 -8.029) 10.899 32.511 ( 9.306 0.032 0.407) 9.315 32.540 ( 6.763 -1.291 -5.813) 9.011 32.787 ( 12.581 1.133 -1.249) 12.694 32.881 ( 4.328 -2.997 -11.554) 12.696 33.235 ( -3.743 0.844 3.015) 4.880 33.299 ( -5.363 -1.967 -5.594) 7.995 33.552 ( -6.680 0.764 -4.276) 7.968 33.596 ( -8.033 -1.089 -4.668) 9.354 34.569 ( -1.920 1.240 -1.791) 2.904 34.635 ( -2.176 -1.662 -0.392) 2.766 34.773 ( 2.525 1.091 3.482) 4.438 34.809 ( 1.439 -0.496 1.856) 2.401 35.320 ( 1.597 1.628 -2.001) 3.034 35.342 ( 1.917 2.202 -1.358) 3.220 35.440 ( 1.538 -3.016 2.592) 4.264 35.485 ( 5.066 -1.236 1.419) 5.404 35.556 ( 2.524 0.516 1.317) 2.893 35.586 ( 5.508 -1.352 5.966) 8.232 35.802 ( -3.140 2.839 3.662) 5.598 35.906 ( -0.510 -1.387 0.594) 1.593 36.409 ( 5.366 5.282 19.897) 21.274 36.820 ( -13.751 -13.948 30.548) 36.288 37.430 ( -16.815 11.441 -7.080) 21.535 37.857 ( -19.930 -7.948 -5.192) 22.076 ======================= Grid point 12 (9/63) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 3.847 2.259 2.723) 5.226 1.202 ( -0.275 -2.037 0.700) 2.172 1.232 ( 2.636 1.501 0.594) 3.091 1.282 ( -0.109 0.806 1.573) 1.771 1.526 ( 1.943 2.446 5.837) 6.621 1.590 ( 7.188 2.083 3.733) 8.363 1.678 ( 2.596 0.214 1.228) 2.880 1.724 ( 0.592 1.596 -0.667) 1.828 1.823 ( 4.525 -3.211 6.447) 8.506 1.871 ( 3.386 -2.174 0.447) 4.049 1.922 ( 4.117 -4.246 -2.806) 6.546 2.010 ( -10.182 -4.589 -7.861) 13.657 2.079 ( 4.803 4.395 -1.562) 6.695 2.210 ( 0.330 2.704 -4.681) 5.416 2.276 ( -2.726 -0.688 2.151) 3.540 2.386 ( 0.404 -0.767 -2.934) 3.059 2.433 ( 4.469 2.333 2.225) 5.510 2.537 ( -5.509 0.422 1.281) 5.672 2.596 ( 3.809 1.471 6.277) 7.488 2.703 ( 6.788 0.028 6.101) 9.127 2.734 ( -1.934 -2.035 -0.620) 2.875 2.868 ( 4.798 2.171 0.333) 5.277 2.937 ( 12.130 -6.089 5.577) 14.673 3.099 ( 7.231 -4.775 4.231) 9.643 3.116 ( 6.123 1.772 3.036) 7.061 3.160 ( -0.273 5.207 0.511) 5.239 3.299 ( 5.743 -2.855 1.999) 6.718 3.323 ( 7.935 0.235 2.841) 8.431 3.394 ( 0.151 2.874 -2.327) 3.701 3.495 ( 3.122 -2.256 2.572) 4.632 3.526 ( 1.880 -0.885 2.777) 3.468 3.624 ( 10.546 4.168 -1.304) 11.415 3.645 ( 4.436 7.504 -3.013) 9.223 3.734 ( 1.519 5.610 1.939) 6.126 3.810 ( 4.067 2.119 2.232) 5.101 3.854 ( -2.107 2.347 -3.060) 4.395 3.898 ( 0.416 1.443 -2.318) 2.762 3.930 ( -0.986 -2.647 -6.851) 7.410 4.082 ( 0.812 -2.013 -6.595) 6.943 4.108 ( -7.689 -3.075 -1.962) 8.510 4.215 ( -2.837 1.144 0.626) 3.122 4.319 ( -3.023 -1.079 -5.025) 5.962 4.384 ( -0.058 -0.027 0.852) 0.854 4.453 ( 4.134 3.564 8.237) 9.881 4.521 ( -3.347 -0.028 -7.932) 8.609 4.637 ( 1.010 -1.463 0.255) 1.796 4.670 ( 0.309 -1.278 2.232) 2.591 4.731 ( 1.226 6.324 0.342) 6.450 4.826 ( 0.569 6.624 2.278) 7.027 4.836 ( 0.594 0.252 1.253) 1.409 4.891 ( -2.678 2.695 5.043) 6.313 4.966 ( -3.244 0.175 0.343) 3.267 5.032 ( -3.882 -0.451 -2.812) 4.815 5.180 ( -1.216 1.946 -3.377) 4.083 5.215 ( 0.561 -1.058 -3.180) 3.398 5.283 ( 0.972 5.357 -4.386) 6.991 5.351 ( -1.131 -7.097 2.086) 7.484 5.443 ( 0.824 -4.015 -1.895) 4.515 5.498 ( -9.072 -4.753 2.332) 10.504 5.626 ( -4.535 -2.193 -4.622) 6.837 5.772 ( 2.139 -10.381 0.073) 10.599 5.824 ( -0.303 0.632 0.628) 0.941 5.886 ( -1.042 -1.511 -2.533) 3.128 5.947 ( -0.156 -8.048 0.427) 8.060 6.288 ( 1.832 4.314 0.495) 4.713 6.403 ( 2.484 2.024 1.037) 3.367 6.447 ( 6.736 2.110 1.710) 7.263 6.519 ( 3.824 -1.558 4.406) 6.038 6.649 ( 5.975 1.421 -0.471) 6.160 6.781 ( 2.332 -3.554 2.597) 4.981 6.876 ( -3.880 0.387 -3.478) 5.225 6.905 ( -1.921 1.503 -1.702) 2.974 6.951 ( -0.759 -0.845 -2.220) 2.494 7.021 ( 1.037 -2.226 0.177) 2.462 7.054 ( -1.438 1.587 1.006) 2.366 7.209 ( -6.856 -4.768 2.952) 8.857 7.656 ( -10.523 3.999 -2.894) 11.623 7.837 ( -7.148 5.417 -0.170) 8.970 7.880 ( -9.957 -4.112 -3.570) 11.349 8.075 ( -8.451 -4.745 0.911) 9.735 8.782 ( 0.582 1.531 1.639) 2.317 8.789 ( -0.001 1.320 1.895) 2.310 8.840 ( 2.669 2.850 -2.786) 4.797 8.945 ( 0.760 -1.486 -0.042) 1.670 9.039 ( 2.572 2.522 0.832) 3.696 9.137 ( 1.536 -0.988 -0.554) 1.909 9.161 ( 1.397 -1.137 0.070) 1.802 9.171 ( 2.762 -1.030 -2.043) 3.586 9.369 ( 2.484 -3.318 1.174) 4.308 9.386 ( 1.934 -2.293 -0.414) 3.028 9.484 ( 6.038 -0.250 1.094) 6.141 9.501 ( 3.344 0.210 0.429) 3.378 9.604 ( -10.592 1.049 -0.296) 10.648 9.681 ( -7.285 -2.525 0.177) 7.713 9.786 ( -4.060 -0.663 1.257) 4.301 9.868 ( -8.625 -3.407 -0.575) 9.291 9.966 ( 0.755 4.750 1.740) 5.115 10.046 ( -3.238 1.462 -1.175) 3.742 10.162 ( -4.902 -1.409 -0.590) 5.134 10.182 ( -3.860 -1.238 0.009) 4.054 10.487 ( 0.015 1.473 0.145) 1.480 10.602 ( -0.851 4.145 -0.562) 4.268 10.641 ( -2.240 -3.492 0.296) 4.159 10.728 ( -4.137 -0.934 -0.834) 4.322 11.467 ( 2.587 0.894 -0.223) 2.746 11.536 ( 6.295 -1.952 0.022) 6.591 11.567 ( 6.039 -0.655 -0.080) 6.075 11.582 ( 3.305 -0.979 0.662) 3.510 11.931 ( 0.422 1.537 0.502) 1.671 11.965 ( 1.739 1.727 0.850) 2.594 12.009 ( -2.414 2.090 -0.308) 3.208 12.048 ( -0.848 2.366 0.643) 2.594 12.138 ( 1.328 0.638 -0.223) 1.490 12.237 ( 3.618 -2.949 -0.765) 4.729 12.328 ( 2.032 -3.260 -0.185) 3.846 12.346 ( 1.742 -3.514 -0.665) 3.978 12.547 ( 1.760 2.146 1.290) 3.061 12.619 ( 0.153 2.009 0.374) 2.050 12.682 ( -2.106 -2.866 0.484) 3.590 12.717 ( -4.255 -1.794 -0.247) 4.625 13.231 ( 5.900 7.170 0.120) 9.286 13.262 ( 4.297 6.046 -0.064) 7.418 13.455 ( -1.497 -2.089 0.337) 2.592 13.494 ( -3.006 -1.504 -0.153) 3.365 13.815 ( 5.228 5.135 -0.741) 7.366 13.907 ( 9.049 4.876 -0.507) 10.292 13.959 ( -0.579 -0.363 -0.750) 1.014 14.080 ( 1.704 -2.410 1.784) 3.449 14.156 ( -3.821 6.927 -0.716) 7.944 14.244 ( -1.790 4.628 1.889) 5.309 14.372 ( -6.338 0.727 -0.732) 6.421 14.437 ( -3.952 1.328 0.429) 4.191 14.893 ( 6.283 -1.377 0.499) 6.451 15.038 ( -0.383 -3.002 0.302) 3.041 15.054 ( -3.014 -2.659 1.303) 4.225 15.188 ( -6.346 -3.720 -0.313) 7.362 15.348 ( 6.545 1.151 1.063) 6.730 15.377 ( 7.367 1.357 -0.858) 7.539 15.465 ( 2.884 -2.782 -0.506) 4.039 15.498 ( 5.606 -3.169 -0.233) 6.444 15.750 ( 1.891 2.268 1.499) 3.312 15.782 ( 2.268 1.394 -2.252) 3.487 15.829 ( 5.524 -0.745 1.468) 5.764 15.869 ( 1.789 -2.302 -5.392) 6.130 16.260 ( 0.335 0.551 0.586) 0.871 16.290 ( -3.183 -0.654 -1.296) 3.498 16.349 ( -1.455 0.398 1.181) 1.915 16.385 ( 1.729 -1.018 -1.022) 2.252 17.154 ( 0.525 1.472 -0.111) 1.567 17.189 ( 1.089 -0.156 0.758) 1.336 17.203 ( -0.139 0.871 0.215) 0.908 17.258 ( -0.649 -1.288 -0.396) 1.496 19.798 ( 9.900 0.510 0.120) 9.914 19.845 ( 7.723 -1.446 -2.263) 8.177 20.006 ( 5.711 -0.002 -1.279) 5.852 20.011 ( 6.450 -0.106 0.324) 6.459 20.203 ( -9.308 1.322 0.848) 9.439 20.265 ( -10.025 -1.257 0.865) 10.140 20.541 ( -6.536 1.862 -1.157) 6.894 20.624 ( -6.338 -1.628 -0.794) 6.592 21.982 ( 8.310 2.266 0.093) 8.614 22.029 ( 9.072 1.744 -0.571) 9.256 22.096 ( 10.147 -1.890 0.047) 10.322 22.134 ( 10.738 -2.221 0.286) 10.969 22.625 ( -7.656 1.635 -0.960) 7.887 22.724 ( -10.079 -2.283 0.579) 10.350 22.766 ( -7.446 0.384 0.535) 7.475 22.838 ( -9.502 -2.548 0.473) 9.849 27.181 ( 19.405 3.638 1.246) 19.783 27.245 ( 18.851 4.388 -1.600) 19.421 27.425 ( 22.964 -4.798 4.677) 23.922 27.573 ( 16.017 -8.136 -7.762) 19.569 28.220 ( -19.581 5.629 0.292) 20.376 28.309 ( -19.716 4.974 -0.686) 20.345 28.522 ( -19.771 -5.768 0.318) 20.598 28.572 ( -21.150 -6.089 -2.188) 22.117 30.311 ( 8.899 4.667 0.034) 10.048 30.379 ( 7.756 5.766 2.698) 10.034 30.489 ( 4.391 0.312 0.445) 4.424 30.581 ( 1.029 -0.918 0.932) 1.664 30.745 ( 8.128 2.175 -3.082) 8.961 30.841 ( 9.590 3.647 0.839) 10.295 30.891 ( 1.941 -3.937 -3.446) 5.580 31.067 ( 5.085 -4.373 -0.919) 6.770 31.163 ( -2.737 6.703 -2.138) 7.549 31.283 ( -8.601 6.356 -2.136) 10.906 31.348 ( -9.039 -2.444 1.153) 9.435 31.522 ( -9.744 -1.777 -3.768) 10.597 31.818 ( 2.735 1.812 0.697) 3.354 31.888 ( 1.058 3.676 -0.856) 3.919 32.026 ( 5.356 -4.137 -3.086) 7.438 32.194 ( -2.271 -5.989 -14.082) 15.470 32.675 ( 7.354 1.160 1.504) 7.596 32.723 ( 8.435 -0.933 3.630) 9.230 32.966 ( 10.214 0.417 -3.804) 10.908 32.983 ( 10.971 -0.240 -1.115) 11.030 33.200 ( -4.468 -0.015 1.124) 4.607 33.216 ( -2.859 -0.625 2.548) 3.881 33.389 ( -8.617 -0.015 -3.621) 9.347 33.395 ( -7.268 -0.149 -1.676) 7.460 34.511 ( -1.850 1.442 -1.684) 2.887 34.576 ( -2.460 -1.308 -1.434) 3.133 34.854 ( 2.343 0.146 1.931) 3.040 34.862 ( 0.958 -0.188 2.825) 2.989 35.292 ( 0.270 3.491 -3.174) 4.726 35.377 ( 1.122 1.300 0.994) 1.984 35.471 ( 0.451 -4.089 0.013) 4.114 35.516 ( 0.584 -3.964 -1.743) 4.370 35.709 ( 5.685 2.462 8.691) 10.673 35.772 ( 2.951 1.317 3.322) 4.635 35.815 ( 3.663 0.909 4.735) 6.055 35.906 ( 0.201 -1.361 -0.184) 1.388 36.676 ( 3.316 3.156 10.440) 11.400 36.867 ( -8.496 -4.615 5.427) 11.088 37.088 ( -13.230 7.141 0.080) 15.035 37.430 ( -18.317 -6.977 -6.843) 20.761 ======================= Grid point 13 (10/63) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -0.000 -1.675 0.000) 1.675 1.190 ( 0.000 0.430 0.000) 0.430 1.273 ( 0.000 -0.260 0.000) 0.260 1.275 ( 0.000 1.144 0.000) 1.144 1.534 ( 0.000 3.442 0.000) 3.442 1.674 ( 0.000 -1.970 0.000) 1.970 1.740 ( -0.000 -1.748 0.000) 1.748 1.774 ( 0.000 -2.501 0.000) 2.501 1.783 ( 0.000 1.345 -0.000) 1.345 1.887 ( 0.000 -4.777 0.000) 4.777 1.891 ( -0.000 -2.534 -0.000) 2.534 1.941 ( 0.000 -3.624 0.000) 3.624 2.171 ( 0.000 4.551 0.000) 4.551 2.214 ( 0.000 1.302 0.000) 1.302 2.329 ( 0.000 -0.151 0.000) 0.151 2.370 ( 0.000 1.217 0.000) 1.217 2.407 ( 0.000 1.880 0.000) 1.880 2.563 ( 0.000 8.935 0.000) 8.935 2.567 ( -0.000 -4.358 -0.000) 4.358 2.707 ( 0.000 1.896 0.000) 1.896 2.880 ( 0.000 4.118 0.000) 4.118 2.987 ( -0.000 3.847 -0.000) 3.847 3.021 ( 0.000 8.181 0.000) 8.181 3.163 ( 0.000 -6.446 0.000) 6.446 3.212 ( 0.000 4.398 0.000) 4.398 3.246 ( 0.000 -3.823 0.000) 3.823 3.360 ( 0.000 -1.281 0.000) 1.281 3.395 ( 0.000 3.082 0.000) 3.082 3.410 ( -0.000 -9.151 0.000) 9.151 3.494 ( -0.000 -6.441 0.000) 6.441 3.523 ( 0.000 -6.500 0.000) 6.500 3.667 ( 0.000 -0.517 0.000) 0.517 3.686 ( 0.000 7.975 -0.000) 7.975 3.744 ( 0.000 -1.443 0.000) 1.443 3.775 ( 0.000 3.982 0.000) 3.982 3.820 ( 0.000 0.296 0.000) 0.296 3.896 ( 0.000 -0.721 0.000) 0.721 4.008 ( -0.000 6.007 0.000) 6.007 4.026 ( 0.000 2.260 -0.000) 2.260 4.059 ( 0.000 -3.952 0.000) 3.952 4.120 ( 0.000 7.547 -0.000) 7.547 4.267 ( 0.000 0.333 0.000) 0.333 4.397 ( 0.000 4.037 -0.000) 4.037 4.419 ( 0.000 -5.930 0.000) 5.930 4.617 ( -0.000 2.294 0.000) 2.294 4.621 ( 0.000 2.365 0.000) 2.365 4.664 ( 0.000 -2.713 -0.000) 2.713 4.766 ( 0.000 5.816 0.000) 5.816 4.813 ( 0.000 10.069 0.000) 10.069 4.872 ( 0.000 -5.797 0.000) 5.797 4.921 ( 0.000 -1.504 0.000) 1.504 4.929 ( 0.000 4.028 -0.000) 4.028 5.016 ( 0.000 -1.062 0.000) 1.062 5.110 ( 0.000 -0.779 0.000) 0.779 5.233 ( -0.000 -4.229 -0.000) 4.229 5.235 ( 0.000 6.794 0.000) 6.794 5.360 ( 0.000 7.592 0.000) 7.592 5.381 ( 0.000 -8.992 -0.000) 8.992 5.507 ( 0.000 -5.474 -0.000) 5.474 5.517 ( 0.000 -3.393 0.000) 3.393 5.801 ( 0.000 -11.036 0.000) 11.036 5.819 ( 0.000 -0.509 0.000) 0.509 5.854 ( 0.000 -0.723 0.000) 0.723 5.934 ( 0.000 -7.829 0.000) 7.829 6.300 ( 0.000 6.114 -0.000) 6.114 6.452 ( 0.000 -0.476 0.000) 0.476 6.548 ( -0.000 0.967 -0.000) 0.967 6.554 ( 0.000 3.166 0.000) 3.166 6.758 ( 0.000 -1.321 0.000) 1.321 6.784 ( 0.000 0.665 0.000) 0.665 6.822 ( 0.000 -4.863 0.000) 4.863 6.869 ( 0.000 -2.128 0.000) 2.128 6.898 ( 0.000 4.807 0.000) 4.807 7.043 ( 0.000 -0.625 0.000) 0.625 7.087 ( 0.000 -1.301 0.000) 1.301 7.133 ( 0.000 -4.171 0.000) 4.171 7.541 ( 0.000 3.142 0.000) 3.142 7.758 ( -0.000 -5.071 0.000) 5.071 7.772 ( 0.000 6.862 -0.000) 6.862 7.999 ( 0.000 -4.285 0.000) 4.285 8.802 ( 0.000 1.207 0.000) 1.207 8.804 ( 0.000 0.874 0.000) 0.874 8.847 ( 0.000 2.652 0.000) 2.652 8.948 ( 0.000 -2.212 0.000) 2.212 9.071 ( 0.000 3.200 0.000) 3.200 9.145 ( 0.000 -0.942 -0.000) 0.942 9.156 ( 0.000 0.350 0.000) 0.350 9.205 ( 0.000 -2.103 0.000) 2.103 9.394 ( 0.000 -0.958 0.000) 0.958 9.412 ( 0.000 -2.125 0.000) 2.125 9.468 ( 0.000 -0.924 0.000) 0.924 9.499 ( 0.000 -0.905 0.000) 0.905 9.610 ( 0.000 1.236 0.000) 1.236 9.676 ( 0.000 -2.513 0.000) 2.513 9.716 ( 0.000 -0.650 0.000) 0.650 9.758 ( 0.000 -2.778 0.000) 2.778 9.983 ( -0.000 0.297 0.000) 0.297 9.993 ( 0.000 1.204 0.000) 1.204 10.113 ( 0.000 2.141 0.000) 2.141 10.167 ( 0.000 -2.132 0.000) 2.132 10.497 ( 0.000 1.882 0.000) 1.882 10.593 ( 0.000 4.377 0.000) 4.377 10.622 ( 0.000 -2.684 0.000) 2.684 10.681 ( 0.000 -0.785 0.000) 0.785 11.487 ( 0.000 1.447 0.000) 1.447 11.584 ( 0.000 -3.335 0.000) 3.335 11.617 ( 0.000 -0.532 0.000) 0.532 11.622 ( 0.000 -1.188 -0.000) 1.188 11.935 ( 0.000 1.718 0.000) 1.718 11.972 ( 0.000 -0.212 0.000) 0.212 12.003 ( 0.000 3.404 0.000) 3.404 12.036 ( 0.000 1.106 0.000) 1.106 12.169 ( 0.000 1.649 0.000) 1.649 12.266 ( 0.000 -1.970 0.000) 1.970 12.323 ( 0.000 -2.621 0.000) 2.621 12.390 ( 0.000 -5.188 0.000) 5.188 12.556 ( -0.000 0.174 0.000) 0.174 12.619 ( 0.000 -1.412 0.000) 1.412 12.663 ( -0.000 1.289 0.000) 1.289 12.673 ( 0.000 -1.195 0.000) 1.195 13.303 ( 0.000 5.788 0.000) 5.788 13.308 ( 0.000 6.110 0.000) 6.110 13.434 ( 0.000 2.092 0.000) 2.092 13.448 ( 0.000 2.120 0.000) 2.120 13.889 ( 0.000 4.103 0.000) 4.103 13.928 ( 0.000 2.959 0.000) 2.959 14.016 ( 0.000 4.357 0.000) 4.357 14.098 ( 0.000 1.440 0.000) 1.440 14.118 ( 0.000 -0.619 0.000) 0.619 14.269 ( -0.000 -1.685 -0.000) 1.685 14.282 ( 0.000 4.845 0.000) 4.845 14.381 ( 0.000 -2.028 0.000) 2.028 14.961 ( 0.000 -2.689 0.000) 2.689 15.011 ( 0.000 -5.589 0.000) 5.589 15.056 ( 0.000 -0.970 0.000) 0.970 15.110 ( 0.000 -2.365 0.000) 2.365 15.427 ( 0.000 1.042 0.000) 1.042 15.456 ( 0.000 1.538 0.000) 1.538 15.472 ( 0.000 -1.360 0.000) 1.360 15.527 ( 0.000 -1.293 0.000) 1.293 15.770 ( 0.000 -0.159 0.000) 0.159 15.827 ( -0.000 -1.805 0.000) 1.805 15.832 ( 0.000 2.193 -0.000) 2.193 15.897 ( 0.000 -1.019 0.000) 1.019 16.247 ( 0.000 0.056 0.000) 0.056 16.275 ( 0.000 -1.076 0.000) 1.076 16.332 ( 0.000 1.355 0.000) 1.355 16.393 ( 0.000 -1.203 0.000) 1.203 17.159 ( 0.000 1.891 0.000) 1.891 17.202 ( 0.000 0.502 0.000) 0.502 17.213 ( 0.000 0.050 0.000) 0.050 17.241 ( 0.000 -1.533 0.000) 1.533 19.940 ( -0.000 -0.848 -0.000) 0.848 19.946 ( -0.000 -1.035 0.000) 1.035 20.011 ( 0.000 1.197 0.000) 1.197 20.027 ( 0.000 0.533 0.000) 0.533 20.144 ( 0.000 0.272 0.000) 0.272 20.173 ( 0.000 -0.814 0.000) 0.814 20.465 ( 0.000 1.746 0.000) 1.746 20.548 ( 0.000 -1.706 0.000) 1.706 22.070 ( 0.000 2.637 0.000) 2.637 22.119 ( 0.000 2.254 0.000) 2.254 22.199 ( 0.000 -2.722 0.000) 2.722 22.244 ( 0.000 -2.951 0.000) 2.951 22.540 ( 0.000 1.292 0.000) 1.292 22.622 ( 0.000 -2.166 0.000) 2.166 22.696 ( 0.000 0.612 0.000) 0.612 22.739 ( 0.000 -1.232 0.000) 1.232 27.400 ( 0.000 3.784 0.000) 3.784 27.461 ( 0.000 6.815 0.000) 6.815 27.633 ( 0.000 -5.471 0.000) 5.471 27.779 ( 0.000 -6.765 0.000) 6.765 28.024 ( 0.000 5.567 0.000) 5.567 28.095 ( 0.000 2.128 0.000) 2.128 28.276 ( 0.000 -5.510 0.000) 5.510 28.318 ( 0.000 -6.464 0.000) 6.464 30.387 ( 0.000 3.912 0.000) 3.912 30.511 ( -0.000 5.050 -0.000) 5.050 30.519 ( 0.000 -0.986 0.000) 0.986 30.574 ( 0.000 1.872 0.000) 1.872 30.827 ( 0.000 0.732 -0.000) 0.732 30.851 ( -0.000 -0.611 0.000) 0.611 30.986 ( 0.000 3.899 0.000) 3.899 31.068 ( 0.000 -0.619 0.000) 0.619 31.164 ( 0.000 0.148 -0.000) 0.148 31.168 ( -0.000 1.134 0.000) 1.134 31.257 ( 0.000 1.540 0.000) 1.540 31.387 ( 0.000 -2.873 0.000) 2.873 31.848 ( 0.000 1.541 0.000) 1.541 31.904 ( 0.000 3.798 0.000) 3.798 32.041 ( 0.000 -5.873 0.000) 5.873 32.102 ( 0.000 -3.542 0.000) 3.542 32.755 ( 0.000 1.862 0.000) 1.862 32.841 ( 0.000 -1.782 0.000) 1.782 33.052 ( 0.000 0.742 0.000) 0.742 33.090 ( 0.000 -0.754 0.000) 0.754 33.164 ( 0.000 0.212 0.000) 0.212 33.195 ( 0.000 -1.652 0.000) 1.652 33.267 ( 0.000 1.575 0.000) 1.575 33.307 ( 0.000 -0.540 -0.000) 0.540 34.481 ( 0.000 1.371 0.000) 1.371 34.542 ( 0.000 -1.140 0.000) 1.140 34.886 ( 0.000 0.051 0.000) 0.051 34.893 ( 0.000 -0.278 0.000) 0.278 35.271 ( 0.000 3.772 -0.000) 3.772 35.394 ( 0.000 1.475 0.000) 1.475 35.467 ( 0.000 -4.753 0.000) 4.753 35.511 ( 0.000 -3.821 0.000) 3.821 35.788 ( 0.000 3.797 0.000) 3.797 35.847 ( 0.000 1.989 0.000) 1.989 35.906 ( 0.000 -1.313 0.000) 1.313 35.932 ( 0.000 -1.016 0.000) 1.016 36.755 ( 0.000 3.498 0.000) 3.498 36.770 ( 0.000 1.227 0.000) 1.227 37.013 ( 0.000 0.279 0.000) 0.279 37.194 ( 0.000 -5.656 0.000) 5.656 ======================= Grid point 18 (11/63) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 0.000 -21.825 0.000) 21.825 0.901 ( 0.000 21.825 0.000) 21.825 1.067 ( 0.000 -18.785 0.000) 18.785 1.067 ( 0.000 18.785 0.000) 18.785 1.180 ( 0.000 -2.410 0.000) 2.410 1.180 ( 0.000 2.410 0.000) 2.410 1.295 ( 0.000 -6.502 0.000) 6.502 1.295 ( 0.000 6.502 0.000) 6.502 1.762 ( 0.000 -5.057 0.000) 5.057 1.762 ( 0.000 5.057 0.000) 5.057 1.946 ( 0.000 -3.794 0.000) 3.794 1.946 ( 0.000 3.794 0.000) 3.794 2.074 ( 0.000 -34.624 0.000) 34.624 2.074 ( 0.000 34.624 0.000) 34.624 2.287 ( 0.000 -0.519 0.000) 0.519 2.287 ( 0.000 0.519 0.000) 0.519 2.492 ( 0.000 -2.754 0.000) 2.754 2.492 ( 0.000 2.754 0.000) 2.754 2.549 ( 0.000 -0.514 0.000) 0.514 2.549 ( 0.000 0.514 0.000) 0.514 2.706 ( 0.000 -1.116 0.000) 1.116 2.706 ( 0.000 1.116 0.000) 1.116 2.845 ( 0.000 -5.317 0.000) 5.317 2.845 ( 0.000 5.317 0.000) 5.317 2.875 ( 0.000 -4.154 0.000) 4.154 2.875 ( 0.000 4.154 0.000) 4.154 3.075 ( 0.000 -4.254 0.000) 4.254 3.075 ( 0.000 4.254 0.000) 4.254 3.205 ( 0.000 -2.799 0.000) 2.799 3.205 ( 0.000 2.799 0.000) 2.799 3.428 ( 0.000 -1.691 0.000) 1.691 3.428 ( 0.000 1.691 0.000) 1.691 3.464 ( 0.000 -8.381 0.000) 8.381 3.464 ( 0.000 8.381 0.000) 8.381 3.683 ( 0.000 -3.507 0.000) 3.507 3.683 ( 0.000 3.507 0.000) 3.507 3.792 ( 0.000 -4.456 0.000) 4.456 3.792 ( 0.000 4.456 0.000) 4.456 4.147 ( 0.000 -0.755 0.000) 0.755 4.147 ( 0.000 0.755 0.000) 0.755 4.433 ( 0.000 -7.487 0.000) 7.487 4.433 ( 0.000 7.487 0.000) 7.487 4.532 ( 0.000 -9.040 0.000) 9.040 4.532 ( 0.000 9.040 0.000) 9.040 4.642 ( 0.000 -2.440 0.000) 2.440 4.642 ( 0.000 2.440 0.000) 2.440 4.829 ( 0.000 -4.153 0.000) 4.153 4.829 ( 0.000 4.153 0.000) 4.153 4.942 ( 0.000 -5.267 0.000) 5.267 4.942 ( 0.000 5.267 0.000) 5.267 5.118 ( 0.000 -0.414 0.000) 0.414 5.118 ( 0.000 0.414 0.000) 0.414 5.173 ( 0.000 -9.586 0.000) 9.586 5.173 ( 0.000 9.586 0.000) 9.586 5.290 ( 0.000 -7.810 0.000) 7.810 5.290 ( 0.000 7.810 0.000) 7.810 5.558 ( 0.000 -1.194 0.000) 1.194 5.558 ( 0.000 1.194 0.000) 1.194 5.678 ( 0.000 -0.518 0.000) 0.518 5.678 ( 0.000 0.518 0.000) 0.518 5.749 ( 0.000 -3.061 0.000) 3.061 5.749 ( 0.000 3.061 0.000) 3.061 5.895 ( 0.000 -4.722 0.000) 4.722 5.895 ( 0.000 4.722 0.000) 4.722 6.109 ( 0.000 -5.357 0.000) 5.357 6.109 ( 0.000 5.357 0.000) 5.357 6.417 ( 0.000 -3.199 0.000) 3.199 6.417 ( 0.000 3.199 0.000) 3.199 6.638 ( 0.000 -2.502 0.000) 2.502 6.638 ( 0.000 2.502 0.000) 2.502 6.762 ( 0.000 -2.584 0.000) 2.584 6.762 ( 0.000 2.584 0.000) 2.584 7.061 ( 0.000 -4.180 0.000) 4.180 7.061 ( 0.000 4.180 0.000) 4.180 7.214 ( 0.000 -1.246 0.000) 1.246 7.214 ( 0.000 1.246 0.000) 1.246 8.408 ( 0.000 -8.257 0.000) 8.257 8.408 ( 0.000 8.257 0.000) 8.257 8.467 ( 0.000 -2.984 0.000) 2.984 8.467 ( 0.000 2.984 0.000) 2.984 8.794 ( 0.000 -3.251 0.000) 3.251 8.794 ( 0.000 3.251 0.000) 3.251 8.832 ( 0.000 -4.714 0.000) 4.714 8.832 ( 0.000 4.714 0.000) 4.714 8.933 ( 0.000 -4.020 0.000) 4.020 8.933 ( 0.000 4.020 0.000) 4.020 9.037 ( 0.000 -0.231 0.000) 0.231 9.037 ( 0.000 0.231 0.000) 0.231 9.113 ( 0.000 -0.063 0.000) 0.063 9.113 ( 0.000 0.063 0.000) 0.063 9.338 ( 0.000 -2.143 0.000) 2.143 9.338 ( 0.000 2.143 0.000) 2.143 9.751 ( 0.000 -5.588 0.000) 5.588 9.751 ( 0.000 5.588 0.000) 5.588 10.185 ( 0.000 -3.670 0.000) 3.670 10.185 ( 0.000 3.670 0.000) 3.670 10.397 ( 0.000 -6.366 0.000) 6.366 10.397 ( 0.000 6.366 0.000) 6.366 10.437 ( 0.000 -5.771 0.000) 5.771 10.437 ( 0.000 5.771 0.000) 5.771 10.678 ( 0.000 -3.188 0.000) 3.188 10.678 ( 0.000 3.188 0.000) 3.188 10.881 ( 0.000 -6.929 0.000) 6.929 10.881 ( 0.000 6.929 0.000) 6.929 11.131 ( 0.000 -6.110 0.000) 6.110 11.131 ( 0.000 6.110 0.000) 6.110 11.204 ( 0.000 -8.400 0.000) 8.400 11.204 ( 0.000 8.400 0.000) 8.400 11.868 ( 0.000 -4.515 0.000) 4.515 11.868 ( 0.000 4.515 0.000) 4.515 12.056 ( 0.000 -2.302 0.000) 2.302 12.056 ( 0.000 2.302 0.000) 2.302 12.202 ( 0.000 -1.132 0.000) 1.132 12.202 ( 0.000 1.132 0.000) 1.132 12.404 ( 0.000 -4.448 0.000) 4.448 12.404 ( 0.000 4.448 0.000) 4.448 12.573 ( 0.000 -7.053 0.000) 7.053 12.573 ( 0.000 7.053 0.000) 7.053 12.679 ( 0.000 -3.882 0.000) 3.882 12.679 ( 0.000 3.882 0.000) 3.882 13.117 ( 0.000 -3.067 0.000) 3.067 13.117 ( 0.000 3.067 0.000) 3.067 13.136 ( 0.000 -1.172 0.000) 1.172 13.136 ( 0.000 1.172 0.000) 1.172 14.104 ( 0.000 -0.398 0.000) 0.398 14.104 ( 0.000 0.398 0.000) 0.398 14.203 ( 0.000 -0.924 0.000) 0.924 14.203 ( 0.000 0.924 0.000) 0.924 14.260 ( 0.000 -7.972 0.000) 7.972 14.260 ( 0.000 7.972 0.000) 7.972 14.358 ( 0.000 -1.613 0.000) 1.613 14.358 ( 0.000 1.613 0.000) 1.613 14.606 ( 0.000 -11.052 0.000) 11.052 14.606 ( 0.000 11.052 0.000) 11.052 14.891 ( 0.000 -1.969 0.000) 1.969 14.891 ( 0.000 1.969 0.000) 1.969 15.058 ( 0.000 -9.502 0.000) 9.502 15.058 ( 0.000 9.502 0.000) 9.502 15.636 ( 0.000 -0.980 0.000) 0.980 15.636 ( 0.000 0.980 0.000) 0.980 15.731 ( 0.000 -1.436 0.000) 1.436 15.731 ( 0.000 1.436 0.000) 1.436 16.020 ( 0.000 -3.644 0.000) 3.644 16.020 ( 0.000 3.644 0.000) 3.644 16.207 ( 0.000 -0.447 0.000) 0.447 16.207 ( 0.000 0.447 0.000) 0.447 16.226 ( 0.000 -0.145 0.000) 0.145 16.226 ( 0.000 0.145 0.000) 0.145 17.168 ( 0.000 -0.227 0.000) 0.227 17.168 ( 0.000 0.227 0.000) 0.227 17.214 ( 0.000 -2.021 0.000) 2.021 17.214 ( 0.000 2.021 0.000) 2.021 19.636 ( 0.000 -6.218 0.000) 6.218 19.636 ( 0.000 6.218 0.000) 6.218 19.779 ( 0.000 -2.385 0.000) 2.385 19.779 ( 0.000 2.385 0.000) 2.385 20.577 ( 0.000 -0.627 0.000) 0.627 20.577 ( 0.000 0.627 0.000) 0.627 20.837 ( 0.000 -1.379 0.000) 1.379 20.837 ( 0.000 1.379 0.000) 1.379 21.582 ( 0.000 -0.209 0.000) 0.209 21.582 ( 0.000 0.209 0.000) 0.209 21.731 ( 0.000 -2.460 0.000) 2.460 21.731 ( 0.000 2.460 0.000) 2.460 23.000 ( 0.000 -3.050 0.000) 3.050 23.000 ( 0.000 3.050 0.000) 3.050 23.194 ( 0.000 -0.571 0.000) 0.571 23.194 ( 0.000 0.571 0.000) 0.571 26.515 ( 0.000 -0.155 0.000) 0.155 26.515 ( 0.000 0.155 0.000) 0.155 26.551 ( 0.000 -0.003 0.000) 0.003 26.551 ( 0.000 0.003 0.000) 0.003 29.230 ( 0.000 -0.476 0.000) 0.476 29.230 ( 0.000 0.476 0.000) 0.476 29.406 ( 0.000 -4.535 0.000) 4.535 29.406 ( 0.000 4.535 0.000) 4.535 29.666 ( 0.000 -9.703 0.000) 9.703 29.666 ( 0.000 9.703 0.000) 9.703 30.449 ( 0.000 -0.662 0.000) 0.662 30.449 ( 0.000 0.662 0.000) 0.662 30.585 ( 0.000 -2.140 0.000) 2.140 30.585 ( 0.000 2.140 0.000) 2.140 30.795 ( 0.000 -0.331 0.000) 0.331 30.795 ( 0.000 0.331 0.000) 0.331 31.367 ( 0.000 -4.215 0.000) 4.215 31.367 ( 0.000 4.215 0.000) 4.215 31.996 ( 0.000 -2.303 0.000) 2.303 31.996 ( 0.000 2.303 0.000) 2.303 32.022 ( 0.000 -2.261 0.000) 2.261 32.022 ( 0.000 2.261 0.000) 2.261 32.225 ( 0.000 -0.383 0.000) 0.383 32.225 ( 0.000 0.383 0.000) 0.383 32.274 ( 0.000 -0.309 0.000) 0.309 32.274 ( 0.000 0.309 0.000) 0.309 33.159 ( 0.000 -0.372 0.000) 0.372 33.159 ( 0.000 0.372 0.000) 0.372 33.789 ( 0.000 -1.209 0.000) 1.209 33.789 ( 0.000 1.209 0.000) 1.209 34.220 ( 0.000 -0.647 0.000) 0.647 34.220 ( 0.000 0.647 0.000) 0.647 34.553 ( 0.000 -1.593 0.000) 1.593 34.553 ( 0.000 1.593 0.000) 1.593 34.687 ( 0.000 -1.295 0.000) 1.295 34.687 ( 0.000 1.295 0.000) 1.295 35.253 ( 0.000 -2.327 0.000) 2.327 35.253 ( 0.000 2.327 0.000) 2.327 35.321 ( 0.000 -3.564 0.000) 3.564 35.321 ( 0.000 3.564 0.000) 3.564 35.404 ( 0.000 -0.916 0.000) 0.916 35.404 ( 0.000 0.916 0.000) 0.916 35.676 ( 0.000 -3.752 0.000) 3.752 35.676 ( 0.000 3.752 0.000) 3.752 35.954 ( 0.000 -0.288 0.000) 0.288 35.954 ( 0.000 0.288 0.000) 0.288 38.133 ( 0.000 -10.200 0.000) 10.200 38.133 ( 0.000 10.200 0.000) 10.200 ======================= Grid point 20 (12/63) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( -0.085 -11.835 5.507) 13.054 1.014 ( -0.085 11.835 5.507) 13.054 1.149 ( 8.945 -2.087 5.413) 10.662 1.149 ( 8.945 2.087 5.413) 10.662 1.192 ( 0.445 -2.076 2.283) 3.117 1.192 ( 0.445 2.076 2.283) 3.117 1.368 ( 9.249 -6.387 3.614) 11.807 1.368 ( 9.249 6.387 3.614) 11.807 1.749 ( -2.131 -3.607 -0.552) 4.225 1.749 ( -2.131 3.607 -0.552) 4.225 1.928 ( -1.331 -4.281 1.415) 4.701 1.928 ( -1.331 4.281 1.415) 4.701 2.133 ( 4.777 -22.683 0.911) 23.198 2.133 ( 4.777 22.683 0.911) 23.198 2.255 ( 1.602 -3.972 -3.650) 5.627 2.255 ( 1.602 3.972 -3.650) 5.627 2.500 ( -6.032 -2.686 2.524) 7.069 2.500 ( -6.032 2.686 2.524) 7.069 2.627 ( 2.254 -4.658 4.221) 6.678 2.627 ( 2.254 4.658 4.221) 6.678 2.704 ( 2.620 -3.474 1.703) 4.672 2.704 ( 2.620 3.474 1.703) 4.672 2.844 ( 6.836 -6.830 -2.171) 9.904 2.844 ( 6.836 6.830 -2.171) 9.904 3.012 ( 6.186 -5.668 -3.252) 8.998 3.012 ( 6.186 5.668 -3.252) 8.998 3.086 ( 1.540 -1.730 -1.874) 2.979 3.086 ( 1.540 1.730 -1.874) 2.979 3.133 ( -0.509 -3.966 -0.280) 4.008 3.133 ( -0.509 3.966 -0.280) 4.008 3.383 ( -2.863 -5.103 4.755) 7.539 3.383 ( -2.863 5.103 4.755) 7.539 3.531 ( 8.666 -9.769 -0.935) 13.092 3.531 ( 8.666 9.769 -0.935) 13.092 3.727 ( 5.895 -3.136 -2.475) 7.122 3.727 ( 5.895 3.136 -2.475) 7.122 3.938 ( 6.863 -2.556 5.381) 9.087 3.938 ( 6.863 2.556 5.381) 9.087 4.128 ( -3.650 -3.456 -0.330) 5.038 4.128 ( -3.650 3.456 -0.330) 5.038 4.422 ( -4.890 -1.722 3.198) 6.092 4.422 ( -4.890 1.722 3.198) 6.092 4.488 ( -2.816 -10.374 -0.759) 10.776 4.488 ( -2.816 10.374 -0.759) 10.776 4.568 ( -1.556 -5.231 -1.745) 5.730 4.568 ( -1.556 5.231 -1.745) 5.730 4.794 ( -2.140 -0.108 -4.819) 5.274 4.794 ( -2.140 0.108 -4.819) 5.274 4.933 ( -2.488 -4.607 1.840) 5.550 4.933 ( -2.488 4.607 1.840) 5.550 5.073 ( -2.764 -3.137 -3.932) 5.739 5.073 ( -2.764 3.137 -3.932) 5.739 5.226 ( 6.773 -8.033 -2.829) 10.882 5.226 ( 6.773 8.033 -2.829) 10.882 5.319 ( -1.727 -8.037 4.530) 9.386 5.319 ( -1.727 8.037 4.530) 9.386 5.478 ( -3.736 -5.942 -3.031) 7.645 5.478 ( -3.736 5.942 -3.031) 7.645 5.674 ( -1.227 -6.438 -2.836) 7.141 5.674 ( -1.227 6.438 -2.836) 7.141 5.742 ( 0.870 -1.060 -0.098) 1.375 5.742 ( 0.870 1.060 -0.098) 1.375 5.879 ( -0.535 -7.826 -1.493) 7.985 5.879 ( -0.535 7.826 -1.493) 7.985 6.148 ( 4.265 -3.069 1.025) 5.353 6.148 ( 4.265 3.069 1.025) 5.353 6.392 ( -2.437 -3.114 0.584) 3.997 6.392 ( -2.437 3.114 0.584) 3.997 6.632 ( 0.643 -2.348 -0.892) 2.593 6.632 ( 0.643 2.348 -0.892) 2.593 6.839 ( 5.071 -1.788 2.019) 5.743 6.839 ( 5.071 1.788 2.019) 5.743 7.040 ( -1.869 -3.167 -0.408) 3.700 7.040 ( -1.869 3.167 -0.408) 3.700 7.211 ( -2.023 -2.954 2.058) 4.130 7.211 ( -2.023 2.954 2.058) 4.130 8.281 ( -12.511 -6.234 0.317) 13.981 8.281 ( -12.511 6.234 0.317) 13.981 8.332 ( -12.699 -3.637 -0.135) 13.210 8.332 ( -12.699 3.637 -0.135) 13.210 8.785 ( -0.490 -2.531 0.977) 2.756 8.785 ( -0.490 2.531 0.977) 2.756 8.879 ( 2.136 -0.472 -0.282) 2.206 8.879 ( 2.136 0.472 -0.282) 2.206 8.974 ( 4.331 -1.565 -0.909) 4.694 8.974 ( 4.331 1.565 -0.909) 4.694 9.070 ( 3.499 -0.372 -0.291) 3.531 9.070 ( 3.499 0.372 -0.291) 3.531 9.148 ( 4.571 -2.600 -0.602) 5.293 9.148 ( 4.571 2.600 -0.602) 5.293 9.378 ( 4.236 -2.302 -0.823) 4.891 9.378 ( 4.236 2.302 -0.823) 4.891 9.764 ( -0.286 -4.889 2.460) 5.480 9.764 ( -0.286 4.889 2.460) 5.480 10.083 ( -9.096 -3.139 -1.254) 9.704 10.083 ( -9.096 3.139 -1.254) 9.704 10.282 ( -9.554 -2.603 -0.975) 9.950 10.282 ( -9.554 2.603 -0.975) 9.950 10.400 ( -5.658 -1.967 0.511) 6.012 10.400 ( -5.658 1.967 0.511) 6.012 10.658 ( -2.899 -4.265 -0.125) 5.159 10.658 ( -2.899 4.265 -0.125) 5.159 10.819 ( -4.731 -6.113 -0.711) 7.763 10.819 ( -4.731 6.113 -0.711) 7.763 11.227 ( 9.288 -3.161 0.354) 9.818 11.227 ( 9.288 3.161 0.354) 9.818 11.283 ( 8.027 -4.979 -0.435) 9.456 11.283 ( 8.027 4.979 -0.435) 9.456 11.900 ( 2.735 -4.590 0.508) 5.367 11.900 ( 2.735 4.590 0.508) 5.367 12.053 ( 1.321 -1.721 -1.444) 2.606 12.053 ( 1.321 1.721 -1.444) 2.606 12.189 ( -2.369 -1.544 1.759) 3.330 12.189 ( -2.369 1.544 1.759) 3.330 12.359 ( -4.229 -4.936 -0.365) 6.510 12.359 ( -4.229 4.936 -0.365) 6.510 12.574 ( 0.178 -7.142 0.185) 7.147 12.574 ( 0.178 7.142 0.185) 7.147 12.691 ( 0.725 -5.540 -0.122) 5.589 12.691 ( 0.725 5.540 -0.122) 5.589 13.165 ( 5.321 -5.212 0.029) 7.448 13.165 ( 5.321 5.212 0.029) 7.448 13.208 ( 6.909 -5.185 -0.177) 8.640 13.208 ( 6.909 5.185 -0.177) 8.640 14.008 ( -7.636 -2.661 0.315) 8.093 14.008 ( -7.636 2.661 0.315) 8.093 14.092 ( -8.601 -4.057 -0.329) 9.515 14.092 ( -8.601 4.057 -0.329) 9.515 14.298 ( 3.459 -7.176 -0.015) 7.966 14.298 ( 3.459 7.176 -0.015) 7.966 14.444 ( 5.231 -1.914 0.925) 5.646 14.444 ( 5.231 1.914 0.925) 5.646 14.729 ( 8.836 -11.702 1.223) 14.714 14.729 ( 8.836 11.702 1.223) 14.714 14.957 ( 8.405 -0.429 -0.372) 8.424 14.957 ( 8.405 0.429 -0.372) 8.424 15.146 ( 8.158 -4.970 -0.249) 9.556 15.146 ( 8.158 4.970 -0.249) 9.556 15.540 ( -9.224 -2.384 -1.318) 9.618 15.540 ( -9.224 2.384 -1.318) 9.618 15.696 ( -3.981 -1.430 1.066) 4.363 15.696 ( -3.981 1.430 1.066) 4.363 15.902 ( -1.351 -4.996 -5.577) 7.609 15.902 ( -1.351 4.996 -5.577) 7.609 16.252 ( 3.986 -1.336 -0.171) 4.207 16.252 ( 3.986 1.336 -0.171) 4.207 16.309 ( 6.015 -5.121 -2.920) 8.422 16.309 ( 6.015 5.121 -2.920) 8.422 17.166 ( -0.378 -0.086 0.288) 0.483 17.166 ( -0.378 0.086 0.288) 0.483 17.222 ( 0.465 -1.968 0.401) 2.062 17.222 ( 0.465 1.968 0.401) 2.062 19.650 ( 2.461 -5.498 -0.958) 6.099 19.650 ( 2.461 5.498 -0.958) 6.099 19.810 ( 4.381 -1.899 -1.217) 4.927 19.810 ( 4.381 1.899 -1.217) 4.927 20.528 ( -5.603 -0.983 0.106) 5.690 20.528 ( -5.603 0.983 0.106) 5.690 20.805 ( -3.721 -1.073 -0.188) 3.877 20.805 ( -3.721 1.073 -0.188) 3.877 21.669 ( 7.421 -1.761 2.764) 8.113 21.669 ( 7.421 1.761 2.764) 8.113 21.778 ( 6.101 -1.977 -1.380) 6.561 21.778 ( 6.101 1.977 -1.380) 6.561 22.949 ( -4.263 -3.034 -1.985) 5.596 22.949 ( -4.263 3.034 -1.985) 5.596 23.099 ( -9.838 -0.467 1.531) 9.968 23.099 ( -9.838 0.467 1.531) 9.968 26.609 ( 11.107 -0.630 -0.198) 11.127 26.609 ( 11.107 0.630 -0.198) 11.127 26.762 ( 20.859 -6.995 -1.301) 22.039 26.762 ( 20.859 6.995 -1.301) 22.039 29.092 ( -17.205 -5.241 -0.186) 17.986 29.092 ( -17.205 5.241 -0.186) 17.986 29.160 ( -17.854 -4.056 1.799) 18.397 29.160 ( -17.854 4.056 1.799) 18.397 29.924 ( 17.666 -8.254 1.644) 19.568 29.924 ( 17.666 8.254 1.644) 19.568 30.434 ( -0.545 -2.983 -0.230) 3.041 30.434 ( -0.545 2.983 -0.230) 3.041 30.610 ( 4.439 -2.153 -2.158) 5.385 30.610 ( 4.439 2.153 -2.158) 5.385 30.826 ( 4.214 -5.783 -1.331) 7.278 30.826 ( 4.214 5.783 -1.331) 7.278 31.376 ( 0.263 -4.669 0.455) 4.699 31.376 ( 0.263 4.669 0.455) 4.699 31.869 ( -8.836 -1.646 0.663) 9.013 31.869 ( -8.836 1.646 0.663) 9.013 31.964 ( -7.475 -3.760 -1.647) 8.528 31.964 ( -7.475 3.760 -1.647) 8.528 32.269 ( 8.362 -1.942 -0.610) 8.606 32.269 ( 8.362 1.942 -0.610) 8.606 32.425 ( 10.932 -1.707 -3.922) 11.739 32.425 ( 10.932 1.707 -3.922) 11.739 33.012 ( -7.651 -9.558 -19.813) 23.290 33.012 ( -7.651 9.558 -19.813) 23.290 33.472 ( -11.142 -12.902 -27.569) 32.414 33.472 ( -11.142 12.902 -27.569) 32.414 33.742 ( -5.304 -1.270 -5.035) 7.423 33.742 ( -5.304 1.270 -5.035) 7.423 34.619 ( -0.065 -0.641 0.725) 0.969 34.619 ( -0.065 0.641 0.725) 0.969 34.739 ( 1.514 -2.212 1.992) 3.339 34.739 ( 1.514 2.212 1.992) 3.339 35.317 ( 1.495 -1.894 1.345) 2.763 35.317 ( 1.495 1.894 1.345) 2.763 35.378 ( 3.850 -1.508 0.341) 4.149 35.378 ( 3.850 1.508 0.341) 4.149 35.478 ( 4.778 -2.276 -1.670) 5.549 35.478 ( 4.778 2.276 -1.670) 5.549 35.848 ( -5.113 -4.359 12.531) 14.219 35.848 ( -5.113 4.359 12.531) 14.219 36.173 ( 3.326 -11.171 33.374) 35.350 36.173 ( 3.326 11.171 33.374) 35.350 37.997 ( -12.159 -11.545 -3.707) 17.172 37.997 ( -12.159 11.545 -3.707) 17.172 ======================= Grid point 22 (13/63) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 3.753 -5.816 2.698) 7.429 1.095 ( 3.753 5.816 2.698) 7.429 1.235 ( 2.051 -0.924 0.642) 2.340 1.235 ( 2.051 0.924 0.642) 2.340 1.363 ( 7.870 -8.358 8.257) 14.141 1.363 ( 7.870 8.358 8.257) 14.141 1.648 ( 7.465 -5.118 3.175) 9.592 1.648 ( 7.465 5.118 3.175) 9.592 1.728 ( 2.749 -1.480 2.043) 3.731 1.728 ( 2.749 1.480 2.043) 3.731 1.949 ( 2.269 -5.822 0.535) 6.271 1.949 ( 2.269 5.822 0.535) 6.271 2.220 ( 3.395 -3.918 -6.359) 8.205 2.220 ( 3.395 3.918 -6.359) 8.205 2.291 ( 6.004 -2.068 5.221) 8.221 2.291 ( 6.004 2.068 5.221) 8.221 2.395 ( -7.449 -5.743 3.132) 9.914 2.395 ( -7.449 5.743 3.132) 9.914 2.624 ( -1.629 -3.406 1.080) 3.927 2.624 ( -1.629 3.406 1.080) 3.927 2.764 ( -4.897 -6.813 -3.803) 9.212 2.764 ( -4.897 6.813 -3.803) 9.212 2.883 ( 3.816 -2.630 1.766) 4.960 2.883 ( 3.816 2.630 1.766) 4.960 3.043 ( 3.632 -6.053 4.791) 8.531 3.043 ( 3.632 6.053 4.791) 8.531 3.160 ( 11.037 -4.914 0.597) 12.096 3.160 ( 11.037 4.914 0.597) 12.096 3.317 ( 12.027 -2.732 -0.809) 12.359 3.317 ( 12.027 2.732 -0.809) 12.359 3.484 ( 7.534 -3.433 0.778) 8.315 3.484 ( 7.534 3.433 0.778) 8.315 3.683 ( 8.882 -6.642 -0.166) 11.092 3.683 ( 8.882 6.642 -0.166) 11.092 3.794 ( 4.066 -3.275 -1.078) 5.331 3.794 ( 4.066 3.275 -1.078) 5.331 4.010 ( -8.069 -5.983 4.319) 10.934 4.010 ( -8.069 5.983 4.319) 10.934 4.069 ( 2.112 -3.548 -1.473) 4.384 4.069 ( 2.112 3.548 -1.473) 4.384 4.356 ( -4.597 -3.356 -0.157) 5.694 4.356 ( -4.597 3.356 -0.157) 5.694 4.436 ( -0.768 -4.636 -3.533) 5.880 4.436 ( -0.768 4.636 -3.533) 5.880 4.558 ( -0.302 -3.147 1.072) 3.338 4.558 ( -0.302 3.147 1.072) 3.338 4.721 ( 0.312 -1.760 -1.144) 2.123 4.721 ( 0.312 1.760 -1.144) 2.123 4.889 ( -2.574 -2.156 -0.647) 3.419 4.889 ( -2.574 2.156 -0.647) 3.419 5.000 ( -2.529 -3.934 0.213) 4.682 5.000 ( -2.529 3.934 0.213) 4.682 5.203 ( -3.511 -3.590 -3.821) 6.310 5.203 ( -3.511 3.590 -3.821) 6.310 5.314 ( -1.458 -3.613 -2.498) 4.628 5.314 ( -1.458 3.613 -2.498) 4.628 5.416 ( -0.991 -8.315 -1.426) 8.495 5.416 ( -0.991 8.315 -1.426) 8.495 5.578 ( -4.253 -11.281 -3.667) 12.601 5.578 ( -4.253 11.281 -3.667) 12.601 5.753 ( 0.587 -4.530 1.059) 4.689 5.753 ( 0.587 4.530 1.059) 4.689 5.872 ( 1.446 -3.860 -2.091) 4.622 5.872 ( 1.446 3.860 -2.091) 4.622 6.270 ( 6.352 -2.750 2.851) 7.486 6.270 ( 6.352 2.750 2.851) 7.486 6.387 ( 0.860 -1.214 1.866) 2.387 6.387 ( 0.860 1.214 1.866) 2.387 6.652 ( 2.056 -3.088 0.304) 3.722 6.652 ( 2.056 3.088 0.304) 3.722 6.924 ( 3.145 -1.758 -0.095) 3.604 6.924 ( 3.145 1.758 -0.095) 3.604 6.987 ( -2.729 -1.533 -1.801) 3.612 6.987 ( -2.729 1.533 -1.801) 3.612 7.185 ( -4.733 -4.406 2.618) 6.976 7.185 ( -4.733 4.406 2.618) 6.976 8.023 ( -15.447 -5.486 -1.479) 16.459 8.023 ( -15.447 5.486 -1.479) 16.459 8.122 ( -10.920 -6.336 0.277) 12.628 8.122 ( -10.920 6.336 0.277) 12.628 8.788 ( -0.436 -0.759 1.105) 1.410 8.788 ( -0.436 0.759 1.105) 1.410 8.898 ( 1.558 -2.463 -1.593) 3.321 8.898 ( 1.558 2.463 -1.593) 3.321 9.033 ( 3.425 -3.522 0.219) 4.917 9.033 ( 3.425 3.522 0.219) 4.917 9.126 ( 3.490 -1.455 -1.148) 3.951 9.126 ( 3.490 1.455 -1.148) 3.951 9.248 ( 5.999 -3.708 1.106) 7.139 9.248 ( 5.999 3.708 1.106) 7.139 9.431 ( 3.494 -1.273 -1.582) 4.041 9.431 ( 3.494 1.273 -1.582) 4.041 9.782 ( -3.309 -2.369 1.680) 4.402 9.782 ( -3.309 2.369 1.680) 4.402 9.900 ( -9.950 -2.785 1.175) 10.399 9.900 ( -9.950 2.785 1.175) 10.399 10.106 ( -8.249 -4.123 0.410) 9.231 10.106 ( -8.249 4.123 0.410) 9.231 10.281 ( -7.040 -2.709 -1.344) 7.662 10.281 ( -7.040 2.709 -1.344) 7.662 10.589 ( -3.452 -5.275 -0.573) 6.330 10.589 ( -3.452 5.275 -0.573) 6.330 10.741 ( -3.504 -5.269 -0.370) 6.339 10.741 ( -3.504 5.269 -0.370) 6.339 11.391 ( 8.847 -0.369 -1.094) 8.922 11.391 ( 8.847 0.369 -1.094) 8.922 11.439 ( 8.699 -1.836 1.103) 8.959 11.439 ( 8.699 1.836 1.103) 8.959 11.947 ( 0.948 -3.569 1.121) 3.860 11.947 ( 0.948 3.569 1.121) 3.860 12.070 ( 1.865 -1.972 -0.900) 2.860 12.070 ( 1.865 1.972 -0.900) 2.860 12.165 ( -2.351 -1.496 0.947) 2.943 12.165 ( -2.351 1.496 0.947) 2.943 12.289 ( -1.704 -3.401 -0.633) 3.856 12.289 ( -1.704 3.401 -0.633) 3.856 12.590 ( 0.805 -6.012 0.980) 6.144 12.590 ( 0.805 6.012 0.980) 6.144 12.696 ( -0.159 -5.068 -0.374) 5.084 12.696 ( -0.159 5.068 -0.374) 5.084 13.276 ( 6.626 -7.343 0.069) 9.891 13.276 ( 6.626 7.343 0.069) 9.891 13.324 ( 6.296 -8.604 -0.309) 10.666 13.324 ( 6.296 8.604 -0.309) 10.666 13.915 ( -2.949 -4.939 0.349) 5.763 13.915 ( -2.949 4.939 0.349) 5.763 13.981 ( -2.620 -5.782 -0.377) 6.359 13.981 ( -2.620 5.782 -0.377) 6.359 14.335 ( -1.136 -4.966 0.598) 5.129 14.335 ( -1.136 4.966 0.598) 5.129 14.488 ( -1.035 -2.310 0.475) 2.576 14.488 ( -1.035 2.310 0.475) 2.576 14.861 ( 3.912 -10.094 1.976) 11.004 14.861 ( 3.912 10.094 1.976) 11.004 15.126 ( 6.688 -3.356 -0.265) 7.488 15.126 ( 6.688 3.356 -0.265) 7.488 15.251 ( 4.465 -1.891 -0.655) 4.893 15.251 ( 4.465 1.891 -0.655) 4.893 15.390 ( -0.950 -2.314 -1.421) 2.876 15.390 ( -0.950 2.314 -1.421) 2.876 15.705 ( 3.014 -1.708 1.884) 3.943 15.705 ( 3.014 1.708 1.884) 3.943 15.845 ( 1.663 -2.077 -5.578) 6.180 15.845 ( 1.663 2.077 -5.578) 6.180 16.301 ( 0.273 -2.538 -0.315) 2.572 16.301 ( 0.273 2.538 -0.315) 2.572 16.341 ( 2.796 -1.578 -1.455) 3.525 16.341 ( 2.796 1.578 -1.455) 3.525 17.165 ( 0.039 -0.444 0.353) 0.569 17.165 ( 0.039 0.444 0.353) 0.569 17.232 ( 0.183 -1.937 0.080) 1.947 17.232 ( 0.183 1.937 0.080) 1.947 19.704 ( 5.747 -3.586 -1.443) 6.926 19.704 ( 5.747 3.586 -1.443) 6.926 19.895 ( 7.158 -0.978 -1.345) 7.349 19.895 ( 7.158 0.978 -1.345) 7.349 20.398 ( -9.372 -1.730 0.441) 9.541 20.398 ( -9.372 1.730 0.441) 9.541 20.710 ( -6.378 -1.776 -0.605) 6.648 20.710 ( -6.378 1.776 -0.605) 6.648 21.867 ( 10.276 -2.341 2.505) 10.833 21.867 ( 10.276 2.341 2.505) 10.833 21.896 ( 10.106 -0.734 -1.846) 10.299 21.896 ( 10.106 0.734 -1.846) 10.299 22.823 ( -7.064 -3.015 -1.850) 7.901 22.823 ( -7.064 3.015 -1.850) 7.901 22.942 ( -10.925 -1.849 2.264) 11.309 22.942 ( -10.925 1.849 2.264) 11.309 26.883 ( 19.534 -2.484 1.031) 19.718 26.883 ( 19.534 2.484 1.031) 19.718 27.111 ( 22.170 -9.964 -4.212) 24.668 27.111 ( 22.170 9.964 -4.212) 24.668 28.728 ( -22.472 -6.542 -0.092) 23.405 28.728 ( -22.472 6.542 -0.092) 23.405 28.839 ( -22.042 -4.505 0.753) 22.510 28.839 ( -22.042 4.505 0.753) 22.510 30.215 ( 12.510 -5.848 2.293) 13.998 30.215 ( 12.510 5.848 2.293) 13.998 30.455 ( 3.006 -4.572 0.536) 5.498 30.455 ( 3.006 4.572 0.536) 5.498 30.691 ( 8.350 -2.417 -2.594) 9.072 30.691 ( 8.350 2.417 -2.594) 9.072 30.889 ( 5.060 -5.584 -2.135) 7.832 30.889 ( 5.060 5.584 -2.135) 7.832 31.360 ( -3.821 -5.576 1.177) 6.862 31.360 ( -3.821 5.576 1.177) 6.862 31.693 ( -11.066 -5.415 -4.012) 12.957 31.693 ( -11.066 5.415 -4.012) 12.957 31.857 ( -0.678 -4.719 -1.247) 4.928 31.857 ( -0.678 4.719 -1.247) 4.928 32.229 ( -0.684 -15.648 -19.336) 24.884 32.229 ( -0.684 15.648 -19.336) 24.884 32.519 ( 9.730 -0.800 -0.240) 9.765 32.519 ( 9.730 0.800 -0.240) 9.765 32.822 ( 9.905 -2.657 -5.337) 11.560 32.822 ( 9.905 2.657 -5.337) 11.560 33.260 ( -4.143 -1.834 -0.430) 4.551 33.260 ( -4.143 1.834 -0.430) 4.551 33.572 ( -7.386 -1.288 -4.678) 8.837 33.572 ( -7.386 1.288 -4.678) 8.837 34.600 ( -1.920 -1.862 -0.890) 2.819 34.600 ( -1.920 1.862 -0.890) 2.819 34.794 ( 1.795 -0.993 2.569) 3.287 34.794 ( 1.795 0.993 2.569) 3.287 35.356 ( 1.159 -1.792 1.033) 2.371 35.356 ( 1.159 1.792 1.033) 2.371 35.435 ( 3.172 -3.145 -2.594) 5.165 35.435 ( 3.172 3.145 -2.594) 5.165 35.566 ( 4.506 -0.883 5.522) 7.182 35.566 ( 4.506 0.883 5.522) 7.182 35.863 ( -1.374 -3.040 1.769) 3.776 35.863 ( -1.374 3.040 1.769) 3.776 36.568 ( -2.190 -11.415 26.272) 28.728 36.568 ( -2.190 11.415 26.272) 28.728 37.660 ( -18.343 -12.040 -6.644) 22.925 37.660 ( -18.343 12.040 -6.644) 22.925 ======================= Grid point 24 (14/63) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( 1.351 -1.373 1.383) 2.371 1.169 ( 1.351 1.373 1.383) 2.371 1.270 ( 1.153 -1.814 0.112) 2.153 1.270 ( 1.153 1.814 0.112) 2.153 1.584 ( 2.199 -2.673 6.617) 7.468 1.584 ( 2.199 2.673 6.617) 7.468 1.722 ( 4.463 -3.447 2.409) 6.132 1.722 ( 4.463 3.447 2.409) 6.132 1.796 ( 0.103 -3.802 -1.380) 4.046 1.796 ( 0.103 3.802 -1.380) 4.046 1.924 ( -1.561 -3.661 -6.682) 7.777 1.924 ( -1.561 3.661 -6.682) 7.777 2.205 ( 4.354 -6.091 0.069) 7.487 2.205 ( 4.354 6.091 0.069) 7.487 2.297 ( -4.502 -5.621 0.943) 7.263 2.297 ( -4.502 5.621 0.943) 7.263 2.517 ( 4.872 -4.452 1.214) 6.711 2.517 ( 4.872 4.452 1.214) 6.711 2.622 ( 1.954 -1.578 2.160) 3.312 2.622 ( 1.954 1.578 2.160) 3.312 2.795 ( 8.060 -4.090 8.112) 12.145 2.795 ( 8.060 4.090 8.112) 12.145 2.989 ( 7.043 -4.732 -1.788) 8.672 2.989 ( 7.043 4.732 -1.788) 8.672 3.190 ( 5.456 -4.899 6.337) 9.692 3.190 ( 5.456 4.899 6.337) 9.692 3.296 ( -0.117 -6.015 2.358) 6.462 3.296 ( -0.117 6.015 2.358) 6.462 3.462 ( 4.368 -2.077 -1.989) 5.230 3.462 ( 4.368 2.077 -1.989) 5.230 3.554 ( 2.258 -7.107 -1.878) 7.689 3.554 ( 2.258 7.107 -1.878) 7.689 3.780 ( 1.208 -4.814 -3.670) 6.173 3.780 ( 1.208 4.814 -3.670) 6.173 3.832 ( 3.870 -3.529 -2.245) 5.698 3.832 ( 3.870 3.529 -2.245) 5.698 3.966 ( -1.912 -3.295 -1.178) 3.987 3.966 ( -1.912 3.295 -1.178) 3.987 4.032 ( -0.471 -2.719 0.276) 2.773 4.032 ( -0.471 2.719 0.276) 2.773 4.276 ( -0.948 -3.541 -4.041) 5.456 4.276 ( -0.948 3.541 -4.041) 5.456 4.415 ( -1.007 -5.037 1.905) 5.478 4.415 ( -1.007 5.037 1.905) 5.478 4.583 ( 0.850 -4.710 3.962) 6.213 4.583 ( 0.850 4.710 3.962) 6.213 4.729 ( 0.767 -6.176 -1.213) 6.340 4.729 ( 0.767 6.176 -1.213) 6.340 4.902 ( 0.557 -3.478 2.967) 4.605 4.902 ( 0.557 3.478 2.967) 4.605 4.944 ( -3.694 -1.628 0.596) 4.081 4.944 ( -3.694 1.628 0.596) 4.081 5.095 ( -1.757 -7.864 -3.157) 8.654 5.095 ( -1.757 7.864 -3.157) 8.654 5.227 ( -2.068 -4.289 -4.719) 6.704 5.227 ( -2.068 4.289 -4.719) 6.704 5.395 ( -1.493 -3.622 1.284) 4.123 5.395 ( -1.493 3.622 1.284) 4.123 5.493 ( -0.764 -12.906 -1.515) 13.017 5.493 ( -0.764 12.906 -1.515) 13.017 5.750 ( -2.436 -9.955 -0.774) 10.278 5.750 ( -2.436 9.955 -0.774) 10.278 5.864 ( 0.641 -2.183 -1.537) 2.746 5.864 ( 0.641 2.183 -1.537) 2.746 6.386 ( 2.742 -4.375 1.421) 5.356 6.386 ( 2.742 4.375 1.421) 5.356 6.479 ( 5.886 -1.957 2.489) 6.684 6.479 ( 5.886 1.957 2.489) 6.684 6.706 ( 3.318 -3.944 0.761) 5.210 6.706 ( 3.318 3.944 0.761) 5.210 6.894 ( -3.737 -1.503 -3.021) 5.035 6.894 ( -3.737 1.503 -3.021) 5.035 6.976 ( 2.701 -2.311 0.036) 3.555 6.976 ( 2.701 2.311 0.036) 3.555 7.113 ( -6.087 -4.585 1.943) 7.865 7.113 ( -6.087 4.585 1.943) 7.865 7.759 ( -10.877 -6.439 -2.580) 12.900 7.759 ( -10.877 6.439 -2.580) 12.900 7.967 ( -6.909 -6.372 -0.167) 9.401 7.967 ( -6.909 6.372 -0.167) 9.401 8.802 ( 0.535 -0.194 0.917) 1.079 8.802 ( 0.535 0.194 0.917) 1.079 8.900 ( 0.805 -2.979 -1.204) 3.313 8.900 ( 0.805 2.979 -1.204) 3.313 9.098 ( 3.314 -3.068 0.261) 4.524 9.098 ( 3.314 3.068 0.261) 4.524 9.154 ( 1.469 -0.710 -1.061) 1.946 9.154 ( 1.469 0.710 -1.061) 1.946 9.345 ( 2.730 -1.043 0.995) 3.088 9.345 ( 2.730 1.043 0.995) 3.088 9.486 ( 4.508 -0.769 0.196) 4.577 9.486 ( 4.508 0.769 0.196) 4.577 9.637 ( -9.429 -2.174 -0.020) 9.676 9.637 ( -9.429 2.174 -0.020) 9.676 9.803 ( -5.739 -2.564 0.825) 6.340 9.803 ( -5.739 2.564 0.825) 6.340 10.041 ( -2.878 -2.480 0.621) 3.850 10.041 ( -2.878 2.480 0.621) 3.850 10.158 ( -3.626 -1.048 -0.547) 3.814 10.158 ( -3.626 1.048 -0.547) 3.814 10.551 ( -0.272 -4.601 -0.205) 4.613 10.551 ( -0.272 4.601 -0.205) 4.613 10.684 ( -2.439 -3.443 -0.538) 4.253 10.684 ( -2.439 3.443 -0.538) 4.253 11.495 ( 4.187 -2.034 -0.398) 4.672 11.495 ( 4.187 2.034 -0.398) 4.672 11.568 ( 4.688 -0.459 0.376) 4.725 11.568 ( 4.688 0.459 0.376) 4.725 11.961 ( -0.520 -1.366 0.943) 1.739 11.961 ( -0.520 1.366 0.943) 1.739 12.067 ( -1.618 -1.689 0.252) 2.353 12.067 ( -1.618 1.689 0.252) 2.353 12.173 ( 3.041 -2.958 0.007) 4.242 12.173 ( 3.041 2.958 0.007) 4.242 12.291 ( 1.802 -0.599 -0.541) 1.974 12.291 ( 1.802 0.599 -0.541) 1.974 12.607 ( -1.177 -3.589 0.687) 3.839 12.607 ( -1.177 3.589 0.687) 3.839 12.672 ( -1.381 -2.499 -0.046) 2.856 12.672 ( -1.381 2.499 -0.046) 2.856 13.373 ( 4.053 -6.303 0.127) 7.495 13.373 ( 4.053 6.303 0.127) 7.495 13.404 ( 3.205 -7.491 -0.175) 8.149 13.404 ( 3.205 7.491 -0.175) 8.149 13.921 ( 3.099 -3.852 -0.292) 4.952 13.921 ( 3.099 3.852 -0.292) 4.952 13.999 ( 3.961 -5.019 0.274) 6.400 13.999 ( 3.961 5.019 0.274) 6.400 14.269 ( -5.954 -2.979 0.226) 6.662 14.269 ( -5.954 2.979 0.226) 6.662 14.429 ( -5.680 -3.285 0.088) 6.562 14.429 ( -5.680 3.285 0.088) 6.562 14.917 ( 0.658 -5.051 1.490) 5.307 14.917 ( 0.658 5.051 1.490) 5.307 15.097 ( -3.704 -4.633 -0.394) 5.945 15.097 ( -3.704 4.633 -0.394) 5.945 15.381 ( 7.330 -1.831 0.860) 7.604 15.381 ( 7.330 1.831 0.860) 7.604 15.443 ( 4.923 -1.807 -0.994) 5.337 15.443 ( 4.923 1.807 -0.994) 5.337 15.796 ( 2.730 -1.578 -0.875) 3.273 15.796 ( 2.730 1.578 -0.875) 3.273 15.822 ( 3.073 -1.581 -1.211) 3.662 15.822 ( 3.073 1.581 -1.211) 3.662 16.274 ( -1.586 -0.898 -0.452) 1.878 16.274 ( -1.586 0.898 -0.452) 1.878 16.363 ( 0.214 -1.087 0.197) 1.125 16.363 ( 0.214 1.087 0.197) 1.125 17.180 ( 0.957 -0.919 0.521) 1.425 17.180 ( 0.957 0.919 0.521) 1.425 17.228 ( -0.541 -1.658 -0.306) 1.771 17.228 ( -0.541 1.658 -0.306) 1.771 19.816 ( 8.956 -1.360 -1.201) 9.138 19.816 ( 8.956 1.360 -1.201) 9.138 20.008 ( 6.214 -0.173 -0.494) 6.236 20.008 ( 6.214 0.173 -0.494) 6.236 20.234 ( -9.705 -1.814 0.817) 9.907 20.234 ( -9.705 1.814 0.817) 9.907 20.584 ( -6.496 -2.422 -0.961) 6.999 20.584 ( -6.496 2.422 -0.961) 6.999 22.035 ( 9.278 -2.616 -0.812) 9.674 22.035 ( 9.278 2.616 -0.812) 9.674 22.085 ( 9.546 -2.302 0.763) 9.850 22.085 ( 9.546 2.302 0.763) 9.850 22.670 ( -8.148 -2.890 -0.899) 8.692 22.670 ( -8.148 2.890 -0.899) 8.692 22.790 ( -8.494 -2.059 1.199) 8.822 22.790 ( -8.494 2.059 1.199) 8.822 27.270 ( 21.431 -4.473 1.626) 21.953 27.270 ( 21.431 4.473 1.626) 21.953 27.414 ( 18.363 -6.742 -2.923) 19.779 27.414 ( 18.363 6.742 -2.923) 19.779 28.355 ( -19.859 -6.405 0.651) 20.876 28.355 ( -19.859 6.405 0.651) 20.876 28.448 ( -21.745 -4.850 -1.393) 22.323 28.448 ( -21.745 4.850 -1.393) 22.323 30.402 ( 6.495 -3.518 1.495) 7.536 30.402 ( 6.495 3.518 1.495) 7.536 30.534 ( 3.815 -3.800 1.353) 5.553 30.534 ( 3.815 3.800 1.353) 5.553 30.805 ( 6.962 -3.894 -2.667) 8.411 30.805 ( 6.962 3.894 -2.667) 8.411 30.954 ( 5.153 -6.466 -0.121) 8.269 30.954 ( 5.153 6.466 -0.121) 8.269 31.280 ( -6.397 -4.659 0.530) 7.932 31.280 ( -6.397 4.659 0.530) 7.932 31.430 ( -9.421 -7.576 -5.923) 13.462 31.430 ( -9.421 7.576 -5.923) 13.462 31.886 ( 2.917 -4.637 0.386) 5.492 31.886 ( 2.917 4.637 0.386) 5.492 32.051 ( 1.056 -7.673 -9.436) 12.208 32.051 ( 1.056 7.673 -9.436) 12.208 32.700 ( 7.906 -1.388 2.460) 8.395 32.700 ( 7.906 1.388 2.460) 8.395 32.976 ( 10.534 -0.537 -2.225) 10.780 32.976 ( 10.534 0.537 -2.225) 10.780 33.204 ( -3.885 -0.500 1.618) 4.238 33.204 ( -3.885 0.500 1.618) 4.238 33.391 ( -7.623 -0.206 -2.554) 8.042 33.391 ( -7.623 0.206 -2.554) 8.042 34.544 ( -2.136 -1.918 -1.469) 3.225 34.544 ( -2.136 1.918 -1.469) 3.225 34.857 ( 1.555 -0.242 2.326) 2.809 34.857 ( 1.555 0.242 2.326) 2.809 35.372 ( 0.418 -3.988 -0.823) 4.093 35.372 ( 0.418 3.988 -0.823) 4.093 35.437 ( 0.692 -2.898 -1.128) 3.186 35.437 ( 0.692 2.898 -1.128) 3.186 35.757 ( 6.404 -2.205 7.773) 10.309 35.757 ( 6.404 2.205 7.773) 10.309 35.863 ( 0.039 -2.984 0.356) 3.005 35.863 ( 0.039 2.984 0.356) 3.005 36.762 ( -1.976 -5.639 11.057) 12.568 36.762 ( -1.976 5.639 11.057) 12.568 37.261 ( -15.944 -9.995 -6.321) 19.852 37.261 ( -15.944 9.995 -6.321) 19.852 ======================= Grid point 26 (15/63) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.000 -0.803 0.000) 0.803 1.184 ( 0.000 0.803 0.000) 0.803 1.278 ( 0.000 -0.599 0.000) 0.599 1.278 ( 0.000 0.599 0.000) 0.599 1.610 ( 0.000 -4.380 0.000) 4.380 1.610 ( 0.000 4.380 0.000) 4.380 1.731 ( 0.000 -1.540 0.000) 1.540 1.731 ( 0.000 1.540 0.000) 1.540 1.839 ( -0.000 -4.429 -0.000) 4.429 1.839 ( -0.000 4.429 -0.000) 4.429 1.863 ( 0.000 -1.339 0.000) 1.339 1.863 ( 0.000 1.339 0.000) 1.339 2.237 ( 0.000 -1.324 0.000) 1.324 2.237 ( 0.000 1.324 0.000) 1.324 2.334 ( 0.000 -2.330 0.000) 2.330 2.334 ( 0.000 2.330 0.000) 2.330 2.474 ( 0.000 -4.831 0.000) 4.831 2.474 ( 0.000 4.831 0.000) 4.831 2.704 ( 0.000 -3.474 0.000) 3.474 2.704 ( 0.000 3.474 0.000) 3.474 3.003 ( 0.000 -7.891 0.000) 7.891 3.003 ( 0.000 7.891 0.000) 7.891 3.107 ( -0.000 -7.535 -0.000) 7.535 3.107 ( -0.000 7.535 -0.000) 7.535 3.197 ( 0.000 -8.254 0.000) 8.254 3.197 ( 0.000 8.254 0.000) 8.254 3.345 ( -0.000 -1.018 0.000) 1.018 3.345 ( -0.000 1.019 0.000) 1.019 3.412 ( 0.000 -2.489 0.000) 2.489 3.412 ( 0.000 2.489 0.000) 2.489 3.564 ( 0.000 -9.310 0.000) 9.310 3.564 ( -0.000 9.310 0.000) 9.310 3.754 ( 0.000 -1.636 0.000) 1.636 3.754 ( 0.000 1.636 0.000) 1.636 3.837 ( 0.000 -0.627 0.000) 0.627 3.837 ( 0.000 0.627 0.000) 0.627 3.904 ( 0.000 -5.803 0.000) 5.803 3.904 ( 0.000 5.803 0.000) 5.803 4.069 ( 0.000 -2.227 0.000) 2.227 4.069 ( 0.000 2.227 0.000) 2.227 4.256 ( 0.000 -1.808 0.000) 1.808 4.256 ( 0.000 1.808 0.000) 1.808 4.397 ( 0.000 -4.284 0.000) 4.284 4.397 ( 0.000 4.284 0.000) 4.284 4.657 ( 0.000 -0.765 0.000) 0.765 4.657 ( 0.000 0.765 0.000) 0.765 4.715 ( 0.000 -8.857 0.000) 8.857 4.715 ( 0.000 8.857 0.000) 8.857 4.881 ( 0.000 -4.410 0.000) 4.410 4.881 ( 0.000 4.410 0.000) 4.410 4.973 ( 0.000 -4.174 0.000) 4.174 4.973 ( 0.000 4.174 0.000) 4.174 5.057 ( 0.000 -6.656 0.000) 6.656 5.057 ( 0.000 6.656 0.000) 6.656 5.171 ( 0.000 -3.547 0.000) 3.547 5.171 ( 0.000 3.547 -0.000) 3.547 5.383 ( 0.000 -0.314 0.000) 0.314 5.383 ( 0.000 0.314 0.000) 0.314 5.506 ( 0.000 -8.732 0.000) 8.732 5.506 ( 0.000 8.732 0.000) 8.732 5.697 ( 0.000 -10.557 0.000) 10.557 5.697 ( 0.000 10.557 0.000) 10.557 5.857 ( 0.000 -2.409 0.000) 2.409 5.857 ( 0.000 2.409 0.000) 2.409 6.413 ( 0.000 -4.388 -0.000) 4.388 6.413 ( 0.000 4.388 0.000) 4.388 6.570 ( 0.000 -1.111 0.000) 1.111 6.570 ( 0.000 1.111 0.000) 1.111 6.756 ( 0.000 -1.387 0.000) 1.387 6.756 ( 0.000 1.387 0.000) 1.387 6.817 ( 0.000 -2.757 0.000) 2.757 6.817 ( 0.000 2.757 0.000) 2.757 6.999 ( 0.000 -4.971 0.000) 4.971 6.999 ( 0.000 4.971 0.000) 4.971 7.073 ( 0.000 -0.510 -0.000) 0.510 7.073 ( 0.000 0.510 0.000) 0.510 7.639 ( 0.000 -6.569 0.000) 6.569 7.639 ( 0.000 6.569 0.000) 6.569 7.901 ( 0.000 -6.112 0.000) 6.112 7.901 ( 0.000 6.112 0.000) 6.112 8.816 ( 0.000 -0.018 0.000) 0.018 8.816 ( 0.000 0.018 0.000) 0.018 8.899 ( 0.000 -2.701 0.000) 2.701 8.899 ( 0.000 2.701 0.000) 2.701 9.130 ( 0.000 -1.587 0.000) 1.587 9.130 ( 0.000 1.587 0.000) 1.587 9.162 ( 0.000 -1.464 0.000) 1.464 9.162 ( 0.000 1.464 0.000) 1.464 9.383 ( 0.000 -0.392 0.000) 0.392 9.383 ( 0.000 0.392 0.000) 0.392 9.472 ( 0.000 -1.307 0.000) 1.307 9.472 ( 0.000 1.307 0.000) 1.307 9.638 ( 0.000 -1.568 0.000) 1.568 9.638 ( 0.000 1.568 0.000) 1.568 9.715 ( 0.000 -1.148 0.000) 1.148 9.715 ( 0.000 1.148 0.000) 1.148 9.997 ( 0.000 -0.661 0.000) 0.661 9.997 ( 0.000 0.661 0.000) 0.661 10.144 ( 0.000 -1.002 0.000) 1.002 10.144 ( 0.000 1.002 0.000) 1.002 10.556 ( 0.000 -3.838 0.000) 3.838 10.556 ( 0.000 3.838 0.000) 3.838 10.654 ( 0.000 -2.136 0.000) 2.136 10.654 ( 0.000 2.136 0.000) 2.136 11.527 ( 0.000 -2.633 0.000) 2.633 11.527 ( 0.000 2.633 0.000) 2.633 11.609 ( 0.000 -0.017 0.000) 0.017 11.609 ( 0.000 0.017 0.000) 0.017 11.961 ( 0.000 -0.905 0.000) 0.905 11.961 ( 0.000 0.905 0.000) 0.905 12.051 ( 0.000 -0.637 0.000) 0.637 12.051 ( 0.000 0.637 0.000) 0.637 12.216 ( 0.000 -2.931 0.000) 2.931 12.216 ( 0.000 2.931 0.000) 2.931 12.307 ( 0.000 -2.100 0.000) 2.100 12.307 ( 0.000 2.100 0.000) 2.100 12.581 ( 0.000 -2.061 0.000) 2.061 12.581 ( 0.000 2.061 0.000) 2.061 12.666 ( 0.000 -0.250 0.000) 0.250 12.666 ( 0.000 0.250 0.000) 0.250 13.410 ( 0.000 -4.419 0.000) 4.419 13.410 ( 0.000 4.419 0.000) 4.419 13.431 ( 0.000 -4.718 0.000) 4.718 13.431 ( 0.000 4.718 0.000) 4.718 13.963 ( 0.000 -1.335 0.000) 1.335 13.963 ( 0.000 1.335 0.000) 1.335 14.063 ( 0.000 -1.647 0.000) 1.647 14.063 ( 0.000 1.647 0.000) 1.647 14.194 ( 0.000 -5.487 0.000) 5.487 14.194 ( -0.000 5.487 0.000) 5.487 14.360 ( 0.000 -1.708 0.000) 1.708 14.360 ( 0.000 1.708 0.000) 1.708 14.932 ( 0.000 -1.111 0.000) 1.111 14.932 ( 0.000 1.111 0.000) 1.111 15.060 ( 0.000 -1.883 0.000) 1.883 15.060 ( 0.000 1.883 0.000) 1.883 15.449 ( 0.000 -1.117 0.000) 1.117 15.449 ( 0.000 1.117 0.000) 1.117 15.493 ( 0.000 -2.126 0.000) 2.126 15.493 ( 0.000 2.126 0.000) 2.126 15.788 ( 0.000 -1.907 0.000) 1.907 15.788 ( 0.000 1.907 0.000) 1.907 15.871 ( 0.000 -1.763 0.000) 1.763 15.871 ( 0.000 1.763 0.000) 1.763 16.255 ( 0.000 -0.857 0.000) 0.857 16.255 ( 0.000 0.857 0.000) 0.857 16.363 ( 0.000 -1.748 0.000) 1.748 16.363 ( 0.000 1.748 0.000) 1.748 17.202 ( 0.000 -2.259 0.000) 2.259 17.202 ( 0.000 2.259 0.000) 2.259 17.212 ( 0.000 -0.166 0.000) 0.166 17.212 ( 0.000 0.166 0.000) 0.166 19.933 ( -0.000 -0.194 0.000) 0.194 19.933 ( -0.000 0.194 0.000) 0.194 20.028 ( 0.000 -0.493 0.000) 0.493 20.028 ( 0.000 0.493 0.000) 0.493 20.155 ( -0.000 -0.854 0.000) 0.854 20.155 ( 0.000 0.854 0.000) 0.854 20.507 ( 0.000 -2.432 0.000) 2.432 20.507 ( 0.000 2.432 0.000) 2.432 22.134 ( 0.000 -3.736 0.000) 3.736 22.134 ( 0.000 3.736 0.000) 3.736 22.177 ( 0.000 -3.632 0.000) 3.632 22.177 ( -0.000 3.632 0.000) 3.632 22.576 ( 0.000 -2.378 0.000) 2.378 22.576 ( 0.000 2.378 0.000) 2.378 22.714 ( 0.000 -1.266 0.000) 1.266 22.714 ( 0.000 1.266 0.000) 1.266 27.507 ( 0.000 -6.904 0.000) 6.904 27.507 ( 0.000 6.904 0.000) 6.904 27.619 ( 0.000 -9.192 0.000) 9.192 27.619 ( 0.000 9.192 0.000) 9.192 28.155 ( 0.000 -7.119 0.000) 7.119 28.155 ( 0.000 7.119 0.000) 7.119 28.177 ( 0.000 -6.740 -0.000) 6.740 28.177 ( -0.000 6.740 -0.000) 6.740 30.470 ( 0.000 -4.066 0.000) 4.066 30.470 ( 0.000 4.066 0.000) 4.066 30.582 ( 0.000 -1.632 0.000) 1.632 30.582 ( 0.000 1.632 0.000) 1.632 30.841 ( 0.000 -0.580 0.000) 0.580 30.841 ( 0.000 0.580 0.000) 0.580 31.047 ( 0.000 -1.947 0.000) 1.947 31.047 ( 0.000 1.947 0.000) 1.947 31.175 ( -0.000 -0.579 0.000) 0.579 31.175 ( 0.000 0.579 0.000) 0.579 31.311 ( 0.000 -4.156 0.000) 4.156 31.311 ( 0.000 4.156 -0.000) 4.156 31.922 ( 0.000 -5.829 0.000) 5.829 31.922 ( 0.000 5.829 -0.000) 5.829 32.003 ( 0.000 -6.102 0.000) 6.102 32.003 ( 0.000 6.102 0.000) 6.102 32.798 ( 0.000 -2.498 0.000) 2.498 32.798 ( 0.000 2.498 0.000) 2.498 33.071 ( 0.000 -1.149 0.000) 1.149 33.071 ( 0.000 1.149 0.000) 1.149 33.172 ( 0.000 -0.746 0.000) 0.746 33.172 ( 0.000 0.746 0.000) 0.746 33.292 ( 0.000 -1.024 0.000) 1.024 33.292 ( 0.000 1.024 0.000) 1.024 34.513 ( 0.000 -1.768 0.000) 1.768 34.513 ( 0.000 1.768 0.000) 1.768 34.889 ( 0.000 -0.186 0.000) 0.186 34.889 ( 0.000 0.186 0.000) 0.186 35.365 ( 0.000 -5.659 0.000) 5.659 35.365 ( 0.000 5.659 0.000) 5.659 35.438 ( 0.000 -3.227 0.000) 3.227 35.438 ( 0.000 3.227 0.000) 3.227 35.857 ( 0.000 -2.902 0.000) 2.902 35.857 ( 0.000 2.902 0.000) 2.902 35.898 ( 0.000 -2.157 0.000) 2.157 35.898 ( 0.000 2.157 0.000) 2.157 36.792 ( 0.000 -0.278 0.000) 0.278 36.792 ( 0.000 0.278 0.000) 0.278 37.071 ( 0.000 -5.990 0.000) 5.990 37.071 ( 0.000 5.990 0.000) 5.990 ======================= Grid point 45 (16/63) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.406 ( 2.884 0.000 20.046) 20.252 0.478 ( -1.771 0.000 23.352) 23.420 0.867 ( 1.763 0.000 41.696) 41.733 1.070 ( -1.299 0.000 -1.180) 1.755 1.187 ( 0.218 0.000 -0.189) 0.288 1.259 ( -0.660 0.000 4.352) 4.402 1.313 ( 0.751 0.000 4.388) 4.451 1.584 ( 0.423 0.000 6.008) 6.023 1.704 ( -3.199 0.000 12.484) 12.887 1.747 ( -1.580 0.000 -1.580) 2.234 1.819 ( -1.219 0.000 1.495) 1.929 1.999 ( 5.250 0.000 -10.056) 11.344 2.042 ( 2.026 0.000 1.539) 2.544 2.165 ( -5.341 0.000 -3.833) 6.574 2.292 ( 0.169 0.000 2.984) 2.989 2.372 ( 3.638 0.000 5.429) 6.535 2.473 ( 3.105 0.000 3.770) 4.884 2.561 ( -5.408 0.000 -2.322) 5.885 2.588 ( -1.739 0.000 5.264) 5.544 2.653 ( 2.993 0.000 -0.637) 3.060 2.679 ( 1.831 0.000 7.168) 7.398 2.812 ( -3.684 0.000 0.236) 3.691 2.819 ( -2.882 0.000 -7.986) 8.490 2.914 ( 1.605 0.000 -4.070) 4.375 2.940 ( -7.236 0.000 2.541) 7.670 3.018 ( 11.200 0.000 0.047) 11.201 3.035 ( -3.769 0.000 1.225) 3.963 3.101 ( -0.167 0.000 -2.900) 2.905 3.135 ( -6.463 0.000 5.103) 8.235 3.246 ( 5.004 0.000 -3.372) 6.034 3.300 ( -0.734 0.000 -5.392) 5.441 3.371 ( -6.232 0.000 -0.388) 6.244 3.409 ( -2.046 0.000 2.792) 3.461 3.504 ( 5.102 0.000 0.324) 5.112 3.660 ( 6.062 0.000 -0.219) 6.066 3.783 ( 2.077 0.000 -0.155) 2.083 3.906 ( -5.336 0.000 3.827) 6.567 3.913 ( 1.864 0.000 3.941) 4.359 4.041 ( 3.041 0.000 0.235) 3.050 4.089 ( 4.571 0.000 -5.822) 7.402 4.349 ( 2.409 0.000 4.004) 4.673 4.351 ( -0.431 0.000 8.913) 8.923 4.461 ( -13.137 0.000 -3.786) 13.672 4.611 ( 0.914 0.000 -7.965) 8.017 4.644 ( 1.838 0.000 2.267) 2.919 4.733 ( 0.765 0.000 -4.039) 4.111 4.763 ( 5.663 0.000 1.339) 5.819 4.802 ( -0.031 0.000 -13.284) 13.284 4.883 ( -6.121 0.000 -0.552) 6.146 4.889 ( -4.625 0.000 -3.054) 5.543 4.946 ( 1.007 0.000 -6.312) 6.392 4.999 ( 3.870 0.000 -1.886) 4.305 5.152 ( 1.987 0.000 -8.287) 8.522 5.196 ( -7.409 0.000 1.809) 7.627 5.290 ( -0.065 0.000 -2.561) 2.562 5.336 ( 0.533 0.000 -1.981) 2.052 5.413 ( -1.944 0.000 -2.714) 3.339 5.572 ( 0.079 0.000 -6.100) 6.101 5.595 ( -2.364 0.000 -0.036) 2.365 5.623 ( 4.140 0.000 -7.366) 8.449 5.769 ( 2.660 0.000 2.610) 3.727 5.826 ( 3.417 0.000 7.818) 8.532 5.940 ( -1.643 0.000 1.745) 2.396 6.025 ( -0.068 0.000 2.671) 2.672 6.253 ( -1.827 0.000 3.292) 3.765 6.310 ( -1.627 0.000 1.485) 2.202 6.543 ( -3.972 0.000 -0.745) 4.041 6.568 ( 7.573 0.000 -0.336) 7.580 6.600 ( -1.458 0.000 1.040) 1.791 6.692 ( -0.886 0.000 4.481) 4.568 6.739 ( 5.744 0.000 1.071) 5.843 6.869 ( 2.208 0.000 0.934) 2.397 7.013 ( -0.684 0.000 0.798) 1.051 7.056 ( 1.486 0.000 -0.087) 1.488 7.242 ( -3.810 0.000 2.384) 4.495 7.479 ( 8.270 0.000 -2.290) 8.581 8.227 ( -1.461 0.000 1.654) 2.207 8.393 ( 1.227 0.000 -2.510) 2.794 8.586 ( 1.441 0.000 1.936) 2.413 8.605 ( 2.083 0.000 -0.015) 2.083 8.646 ( -0.331 0.000 -0.498) 0.598 8.783 ( 1.768 0.000 0.878) 1.974 8.801 ( -5.474 0.000 -2.763) 6.132 8.811 ( -3.527 0.000 3.564) 5.014 8.917 ( -1.858 0.000 -1.218) 2.221 9.010 ( 1.604 0.000 -0.104) 1.607 9.012 ( -0.840 0.000 -0.638) 1.054 9.107 ( 0.596 0.000 -1.950) 2.039 9.158 ( -4.045 0.000 3.569) 5.394 9.187 ( 0.722 0.000 -1.701) 1.848 9.299 ( -1.282 0.000 -4.194) 4.385 9.396 ( 2.193 0.000 -2.150) 3.071 9.670 ( -1.576 0.000 3.331) 3.685 9.928 ( 2.144 0.000 -0.299) 2.165 10.070 ( 0.248 0.000 -0.236) 0.342 10.170 ( -1.612 0.000 -2.515) 2.988 10.244 ( -1.530 0.000 -2.042) 2.552 10.317 ( 6.944 0.000 -0.858) 6.997 10.519 ( 0.145 0.000 1.130) 1.139 10.587 ( -0.227 0.000 -0.199) 0.302 10.659 ( -1.294 0.000 -1.283) 1.822 10.667 ( -5.597 0.000 -0.964) 5.680 10.799 ( 2.990 0.000 2.558) 3.935 10.984 ( -0.525 0.000 -2.431) 2.487 10.996 ( -2.104 0.000 0.784) 2.245 11.044 ( 5.720 0.000 0.296) 5.728 11.348 ( 0.355 0.000 0.218) 0.417 11.363 ( -1.365 0.000 0.107) 1.370 11.816 ( -6.580 0.000 1.483) 6.745 11.957 ( 6.408 0.000 -2.101) 6.743 12.037 ( -5.991 0.000 1.607) 6.203 12.107 ( 3.845 0.000 0.475) 3.874 12.137 ( -1.489 0.000 0.353) 1.530 12.170 ( 0.253 0.000 -0.730) 0.772 12.180 ( 0.471 0.000 0.537) 0.714 12.282 ( 0.884 0.000 -0.586) 1.061 12.406 ( -0.132 0.000 -0.078) 0.153 12.448 ( -1.709 0.000 -1.349) 2.177 12.765 ( 1.181 0.000 0.876) 1.471 12.800 ( -0.761 0.000 0.183) 0.782 13.016 ( -1.262 0.000 1.462) 1.931 13.162 ( -2.103 0.000 1.296) 2.471 13.171 ( 2.250 0.000 -2.700) 3.515 13.232 ( -1.592 0.000 -0.021) 1.592 13.937 ( 0.548 0.000 0.262) 0.608 13.957 ( -0.114 0.000 -0.318) 0.338 14.141 ( -1.028 0.000 -0.146) 1.039 14.162 ( -1.405 0.000 -0.610) 1.532 14.188 ( 1.436 0.000 0.867) 1.677 14.198 ( -7.146 0.000 0.422) 7.158 14.392 ( 7.368 0.000 -0.618) 7.394 14.397 ( -1.615 0.000 -0.324) 1.647 14.479 ( 8.036 0.000 1.060) 8.106 14.490 ( 4.069 0.000 0.184) 4.073 14.850 ( 0.351 0.000 -0.428) 0.554 14.853 ( 0.704 0.000 -0.578) 0.911 14.897 ( 4.993 0.000 0.711) 5.044 14.948 ( -4.435 0.000 -0.625) 4.479 15.360 ( -0.260 0.000 5.776) 5.781 15.647 ( -4.286 0.000 -2.077) 4.763 15.704 ( -0.784 0.000 0.618) 0.998 15.715 ( 3.206 0.000 0.824) 3.310 15.781 ( 1.669 0.000 1.108) 2.004 16.037 ( 0.547 0.000 -4.190) 4.225 16.183 ( 1.476 0.000 0.665) 1.619 16.194 ( -0.457 0.000 1.688) 1.749 16.248 ( -5.872 0.000 -1.500) 6.061 16.306 ( 0.314 0.000 -0.120) 0.336 17.144 ( -0.535 0.000 -0.331) 0.629 17.154 ( 0.622 0.000 -0.299) 0.690 17.193 ( -0.345 0.000 2.050) 2.079 17.262 ( 0.638 0.000 0.147) 0.655 19.568 ( -3.006 0.000 0.055) 3.006 19.678 ( 1.055 0.000 -3.306) 3.470 19.828 ( -0.796 0.000 1.378) 1.592 19.839 ( 0.286 0.000 0.707) 0.763 20.573 ( -1.669 0.000 1.196) 2.053 20.600 ( 0.564 0.000 0.953) 1.108 20.817 ( 0.578 0.000 -0.999) 1.154 20.845 ( 1.397 0.000 -1.080) 1.766 21.556 ( 1.225 0.000 1.574) 1.994 21.659 ( 0.146 0.000 -1.134) 1.144 21.763 ( 1.290 0.000 0.689) 1.463 21.791 ( -0.853 0.000 -0.169) 0.870 22.992 ( -5.371 0.000 -2.059) 5.752 23.019 ( 2.273 0.000 -3.799) 4.427 23.220 ( -1.676 0.000 2.418) 2.942 23.225 ( -0.087 0.000 1.459) 1.461 26.502 ( -0.414 0.000 -0.819) 0.918 26.504 ( 0.500 0.000 -0.703) 0.863 26.545 ( 0.615 0.000 1.026) 1.196 26.557 ( 0.004 0.000 0.605) 0.605 29.226 ( -1.337 0.000 2.473) 2.812 29.251 ( 0.930 0.000 1.344) 1.634 29.371 ( 11.009 0.000 -1.311) 11.087 29.427 ( -8.809 0.000 1.068) 8.874 29.499 ( -2.905 0.000 -3.410) 4.480 29.534 ( 2.751 0.000 -2.193) 3.518 30.017 ( -1.353 0.000 11.799) 11.876 30.454 ( 2.878 0.000 1.443) 3.219 30.490 ( -0.520 0.000 1.017) 1.143 30.512 ( 0.361 0.000 -1.876) 1.910 30.635 ( 0.294 0.000 -0.175) 0.342 30.802 ( -4.267 0.000 -1.463) 4.511 31.269 ( -1.858 0.000 0.208) 1.869 31.284 ( 1.506 0.000 -0.252) 1.527 31.505 ( 0.562 0.000 4.234) 4.271 31.938 ( 1.664 0.000 0.547) 1.752 31.969 ( -1.607 0.000 -0.111) 1.611 32.065 ( -1.538 0.000 1.137) 1.912 32.084 ( 9.719 0.000 -1.628) 9.855 32.226 ( -8.397 0.000 0.395) 8.406 32.250 ( -7.989 0.000 -0.739) 8.023 32.252 ( 4.656 0.000 -0.463) 4.679 32.366 ( 6.230 0.000 -0.621) 6.261 33.110 ( -0.965 0.000 -14.911) 14.942 33.294 ( -0.164 0.000 3.738) 3.742 33.597 ( -2.022 0.000 -31.445) 31.510 33.684 ( 0.387 0.000 -6.361) 6.373 33.791 ( -0.236 0.000 -6.429) 6.433 34.612 ( 4.278 0.000 4.369) 6.114 34.636 ( -2.446 0.000 0.947) 2.623 34.685 ( 7.555 0.000 -1.008) 7.622 34.719 ( -1.630 0.000 3.074) 3.479 35.211 ( 1.572 0.000 -0.200) 1.585 35.258 ( 1.135 0.000 -0.139) 1.143 35.341 ( 1.265 0.000 3.398) 3.626 35.428 ( 0.758 0.000 4.246) 4.314 35.438 ( 0.161 0.000 -0.536) 0.559 35.524 ( -0.425 0.000 3.396) 3.422 35.807 ( 1.361 0.000 2.874) 3.180 35.917 ( -1.522 0.000 -3.810) 4.102 36.156 ( -0.900 0.000 29.717) 29.731 37.592 ( -0.179 0.000 -9.930) 9.932 38.167 ( -4.409 0.000 1.993) 4.839 38.357 ( 0.419 0.000 -2.311) 2.348 ======================= Grid point 46 (17/63) ======================= q-point: ( 0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.826 ( 8.691 0.000 14.506) 16.911 0.877 ( 16.476 0.000 17.645) 24.142 1.106 ( 7.293 0.000 -1.238) 7.397 1.199 ( 3.412 0.000 -0.658) 3.475 1.262 ( -2.788 0.000 9.265) 9.676 1.414 ( 2.763 0.000 6.846) 7.383 1.562 ( 10.605 0.000 10.128) 14.664 1.631 ( 1.385 0.000 7.615) 7.740 1.706 ( -2.046 0.000 -3.030) 3.656 1.787 ( 1.449 0.000 -1.332) 1.968 1.812 ( 7.950 0.000 8.002) 11.280 1.952 ( -7.804 0.000 6.460) 10.131 2.015 ( 7.027 0.000 -8.761) 11.231 2.173 ( 4.386 0.000 1.922) 4.789 2.293 ( -2.759 0.000 -4.594) 5.358 2.464 ( 1.378 0.000 -4.653) 4.853 2.465 ( -3.083 0.000 9.460) 9.950 2.545 ( -4.047 0.000 -10.173) 10.948 2.592 ( -1.105 0.000 7.778) 7.856 2.614 ( -2.762 0.000 1.819) 3.307 2.663 ( -0.699 0.000 0.349) 0.781 2.815 ( 4.015 0.000 4.733) 6.207 2.832 ( 6.168 0.000 4.907) 7.882 2.900 ( 0.162 0.000 5.126) 5.128 2.906 ( -4.260 0.000 1.432) 4.494 3.051 ( 4.177 0.000 -0.978) 4.290 3.092 ( -0.299 0.000 -7.615) 7.621 3.114 ( 5.167 0.000 -1.084) 5.279 3.175 ( -4.653 0.000 3.602) 5.884 3.236 ( 11.703 0.000 -0.185) 11.704 3.303 ( 0.293 0.000 -2.286) 2.305 3.372 ( 7.759 0.000 -2.764) 8.236 3.485 ( 3.708 0.000 7.072) 7.985 3.553 ( 4.917 0.000 -4.055) 6.373 3.845 ( 4.036 0.000 5.860) 7.115 3.858 ( 4.504 0.000 1.748) 4.831 3.887 ( 1.178 0.000 3.326) 3.528 3.971 ( -5.029 0.000 -10.580) 11.715 4.002 ( -0.925 0.000 1.184) 1.502 4.089 ( 4.623 0.000 -8.701) 9.853 4.330 ( 2.554 0.000 5.087) 5.693 4.427 ( -3.277 0.000 5.193) 6.141 4.430 ( -1.081 0.000 5.381) 5.488 4.511 ( 2.452 0.000 -4.469) 5.098 4.581 ( -5.705 0.000 -10.241) 11.723 4.614 ( -1.691 0.000 -8.369) 8.538 4.700 ( -3.964 0.000 -7.688) 8.650 4.705 ( -0.858 0.000 -5.393) 5.461 4.771 ( -4.235 0.000 1.046) 4.362 4.841 ( 2.002 0.000 0.105) 2.004 5.010 ( 2.642 0.000 0.669) 2.726 5.018 ( -5.878 0.000 3.314) 6.748 5.087 ( 1.026 0.000 -5.385) 5.481 5.115 ( 3.159 0.000 -0.068) 3.159 5.231 ( -2.681 0.000 0.656) 2.760 5.311 ( -1.334 0.000 -6.186) 6.328 5.422 ( 1.231 0.000 5.309) 5.449 5.516 ( 6.185 0.000 -6.549) 9.008 5.535 ( -2.402 0.000 -1.967) 3.105 5.647 ( 7.296 0.000 -7.162) 10.224 5.874 ( 3.781 0.000 3.245) 4.983 5.910 ( -3.408 0.000 0.777) 3.496 5.957 ( 2.171 0.000 4.644) 5.126 6.039 ( -4.522 0.000 0.003) 4.522 6.258 ( -1.840 0.000 3.156) 3.653 6.297 ( -0.765 0.000 4.412) 4.478 6.457 ( -4.339 0.000 -1.791) 4.695 6.465 ( -10.377 0.000 1.589) 10.498 6.586 ( -1.731 0.000 1.696) 2.424 6.756 ( 0.097 0.000 5.520) 5.521 6.836 ( 5.462 0.000 -1.915) 5.788 6.943 ( 4.911 0.000 -1.396) 5.106 7.000 ( -1.964 0.000 -0.278) 1.983 7.037 ( -3.665 0.000 0.371) 3.684 7.184 ( -4.945 0.000 0.408) 4.961 7.418 ( -5.764 0.000 4.095) 7.071 8.109 ( -10.113 0.000 0.514) 10.126 8.188 ( -17.406 0.000 -2.950) 17.654 8.445 ( -15.260 0.000 1.095) 15.299 8.530 ( -10.418 0.000 0.050) 10.418 8.708 ( 0.906 0.000 -5.204) 5.282 8.735 ( 2.742 0.000 2.951) 4.029 8.796 ( -1.769 0.000 2.286) 2.890 8.836 ( 4.302 0.000 0.636) 4.349 8.948 ( 2.690 0.000 2.349) 3.571 9.059 ( 4.255 0.000 -0.680) 4.309 9.065 ( 3.978 0.000 -0.529) 4.013 9.125 ( 3.171 0.000 -2.834) 4.253 9.176 ( 1.915 0.000 3.580) 4.060 9.238 ( 7.331 0.000 -0.587) 7.355 9.290 ( 4.784 0.000 -2.472) 5.385 9.425 ( 3.609 0.000 -2.436) 4.354 9.719 ( 1.625 0.000 3.813) 4.145 9.926 ( -2.895 0.000 -0.293) 2.909 10.036 ( -4.569 0.000 0.759) 4.631 10.082 ( -3.335 0.000 -4.176) 5.344 10.119 ( -8.616 0.000 -1.789) 8.800 10.294 ( -7.303 0.000 -0.580) 7.326 10.449 ( -11.077 0.000 0.250) 11.079 10.450 ( -7.958 0.000 -0.494) 7.973 10.596 ( -2.536 0.000 -0.521) 2.589 10.600 ( -4.362 0.000 0.434) 4.383 10.842 ( -2.404 0.000 3.232) 4.028 10.912 ( -3.879 0.000 -2.789) 4.777 11.129 ( 13.350 0.000 -0.300) 13.353 11.232 ( 13.808 0.000 -1.495) 13.889 11.365 ( 1.567 0.000 0.153) 1.574 11.400 ( 4.694 0.000 0.731) 4.750 11.783 ( 1.240 0.000 1.479) 1.929 11.965 ( -3.249 0.000 0.418) 3.276 12.066 ( 7.549 0.000 -1.055) 7.622 12.067 ( -5.403 0.000 0.205) 5.407 12.131 ( -3.086 0.000 -0.267) 3.097 12.170 ( -1.450 0.000 0.550) 1.551 12.247 ( 8.075 0.000 2.089) 8.341 12.275 ( -0.139 0.000 -1.577) 1.583 12.442 ( 1.865 0.000 -1.511) 2.400 12.463 ( 5.413 0.000 0.620) 5.449 12.770 ( -1.719 0.000 -0.727) 1.867 12.791 ( 0.786 0.000 1.013) 1.282 13.032 ( 0.906 0.000 1.316) 1.597 13.157 ( -0.213 0.000 -2.017) 2.028 13.325 ( 11.923 0.000 0.795) 11.950 13.386 ( 16.053 0.000 -5.015) 16.818 13.827 ( -11.342 0.000 0.163) 11.343 13.842 ( -10.524 0.000 -0.077) 10.525 14.106 ( -5.381 0.000 1.957) 5.726 14.134 ( -0.335 0.000 0.185) 0.383 14.145 ( 0.323 0.000 0.206) 0.384 14.188 ( -3.705 0.000 -0.085) 3.706 14.418 ( -0.180 0.000 1.150) 1.164 14.422 ( 3.782 0.000 -0.989) 3.910 14.599 ( 6.968 0.000 0.409) 6.980 14.750 ( 20.299 0.000 -7.010) 21.476 14.951 ( 8.762 0.000 0.023) 8.762 14.960 ( 10.441 0.000 0.041) 10.441 15.010 ( 14.869 0.000 -2.002) 15.003 15.163 ( 19.166 0.000 -5.287) 19.882 15.395 ( -4.817 0.000 6.472) 8.068 15.535 ( -5.548 0.000 -1.962) 5.885 15.666 ( -2.150 0.000 0.258) 2.166 15.724 ( 0.031 0.000 -1.808) 1.809 15.812 ( -1.116 0.000 2.985) 3.187 15.939 ( -4.026 0.000 -6.031) 7.251 16.218 ( 1.054 0.000 1.781) 2.070 16.245 ( 4.877 0.000 -2.321) 5.401 16.276 ( 5.010 0.000 2.519) 5.608 16.330 ( 3.125 0.000 -2.956) 4.302 17.133 ( -0.265 0.000 -0.247) 0.363 17.162 ( 0.639 0.000 -0.101) 0.647 17.205 ( -0.841 0.000 1.582) 1.792 17.272 ( 0.359 0.000 -0.151) 0.390 19.565 ( 1.646 0.000 1.508) 2.233 19.690 ( 4.665 0.000 -3.375) 5.758 19.834 ( 0.253 0.000 1.067) 1.096 19.854 ( 1.171 0.000 0.569) 1.302 20.503 ( -7.252 0.000 0.981) 7.319 20.577 ( -5.248 0.000 1.784) 5.543 20.755 ( -4.742 0.000 -1.986) 5.142 20.824 ( -2.505 0.000 -0.806) 2.631 21.668 ( 8.298 0.000 1.732) 8.477 21.697 ( 5.683 0.000 -1.537) 5.887 21.808 ( 4.642 0.000 1.959) 5.039 21.814 ( 4.110 0.000 -0.637) 4.159 22.878 ( -6.421 0.000 -0.654) 6.454 22.976 ( -2.603 0.000 -2.191) 3.402 23.145 ( -9.528 0.000 2.087) 9.753 23.185 ( -6.102 0.000 1.236) 6.225 26.593 ( 9.749 0.000 0.063) 9.750 26.602 ( 12.302 0.000 -0.435) 12.310 26.695 ( 14.792 0.000 1.974) 14.923 26.905 ( 31.967 0.000 -15.184) 35.390 28.959 ( -23.608 0.000 0.040) 23.608 28.981 ( -21.837 0.000 0.014) 21.837 29.206 ( -12.690 0.000 2.235) 12.885 29.317 ( -14.863 0.000 -1.194) 14.911 29.739 ( 19.552 0.000 0.719) 19.566 29.764 ( 18.271 0.000 -0.795) 18.288 30.259 ( 8.293 0.000 8.437) 11.830 30.508 ( 3.320 0.000 -3.129) 4.562 30.524 ( 3.461 0.000 2.088) 4.042 30.540 ( 3.491 0.000 -0.475) 3.523 30.700 ( 6.457 0.000 0.501) 6.476 30.827 ( 8.098 0.000 -6.477) 10.370 31.250 ( -0.640 0.000 -0.716) 0.960 31.329 ( 2.242 0.000 2.097) 3.070 31.590 ( -0.509 0.000 6.228) 6.248 31.833 ( -8.261 0.000 0.789) 8.299 31.847 ( -8.864 0.000 -1.205) 8.946 32.003 ( -8.814 0.000 1.372) 8.920 32.026 ( -6.628 0.000 -0.660) 6.661 32.278 ( 11.449 0.000 2.214) 11.661 32.339 ( 11.195 0.000 -7.210) 13.316 32.370 ( 8.499 0.000 -2.398) 8.830 32.547 ( 12.784 0.000 -0.595) 12.798 32.734 ( 0.563 0.000 -28.580) 28.586 33.319 ( -2.708 0.000 4.124) 4.934 33.351 ( -3.035 0.000 -3.628) 4.730 33.591 ( -2.786 0.000 -4.065) 4.928 33.677 ( -4.354 0.000 -6.070) 7.470 34.590 ( -3.125 0.000 -0.481) 3.161 34.700 ( -2.976 0.000 0.023) 2.976 34.721 ( 3.954 0.000 2.093) 4.474 34.781 ( 3.870 0.000 1.498) 4.149 35.224 ( 1.826 0.000 -2.387) 3.005 35.289 ( 2.593 0.000 -0.283) 2.608 35.428 ( 4.137 0.000 2.262) 4.716 35.451 ( 2.994 0.000 -1.835) 3.512 35.524 ( 1.955 0.000 7.003) 7.271 35.595 ( 1.301 0.000 7.533) 7.645 35.798 ( 0.849 0.000 -5.199) 5.268 35.842 ( 1.172 0.000 -6.843) 6.943 36.534 ( -2.373 0.000 30.618) 30.710 37.365 ( -7.348 0.000 -15.387) 17.051 37.819 ( -34.500 0.000 19.707) 39.731 38.205 ( -13.541 0.000 -4.338) 14.219 ======================= Grid point 47 (18/63) ======================= q-point: ( 0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 4.033 0.000 4.936) 6.374 1.154 ( 3.892 0.000 -0.052) 3.892 1.227 ( 4.324 0.000 0.325) 4.336 1.281 ( 0.898 0.000 1.582) 1.819 1.471 ( 9.891 0.000 16.900) 19.582 1.542 ( -1.205 0.000 2.571) 2.839 1.570 ( 4.850 0.000 -10.591) 11.648 1.636 ( 4.297 0.000 -2.173) 4.816 1.732 ( 8.364 0.000 5.533) 10.029 1.895 ( 6.317 0.000 1.710) 6.544 1.949 ( -4.774 0.000 9.000) 10.188 1.985 ( 0.864 0.000 -5.868) 5.931 2.037 ( 4.354 0.000 -3.736) 5.737 2.219 ( -0.543 0.000 -9.086) 9.102 2.275 ( -6.455 0.000 -7.577) 9.954 2.381 ( -4.320 0.000 0.234) 4.326 2.422 ( 1.592 0.000 -0.341) 1.628 2.540 ( 9.389 0.000 13.173) 16.176 2.657 ( 2.544 0.000 3.136) 4.038 2.728 ( 0.891 0.000 1.792) 2.002 2.729 ( -4.813 0.000 10.013) 11.110 2.879 ( -6.635 0.000 -8.104) 10.473 2.900 ( 10.000 0.000 9.918) 14.084 2.975 ( 9.509 0.000 -3.258) 10.052 3.064 ( 5.848 0.000 0.505) 5.870 3.065 ( 7.596 0.000 6.798) 10.194 3.113 ( 6.079 0.000 -2.202) 6.465 3.139 ( 8.713 0.000 -3.820) 9.513 3.224 ( 5.587 0.000 0.704) 5.631 3.354 ( 6.379 0.000 2.926) 7.018 3.418 ( 11.381 0.000 -2.624) 11.679 3.476 ( 4.987 0.000 -0.243) 4.993 3.626 ( 4.119 0.000 -1.696) 4.454 3.650 ( 6.127 0.000 2.915) 6.785 3.741 ( -5.764 0.000 1.401) 5.932 3.858 ( -3.184 0.000 2.779) 4.226 3.902 ( -4.579 0.000 -7.362) 8.669 3.979 ( 0.315 0.000 -1.357) 1.393 4.028 ( 5.138 0.000 1.935) 5.490 4.052 ( 3.877 0.000 -6.183) 7.298 4.310 ( -11.418 0.000 -5.993) 12.896 4.379 ( 0.709 0.000 0.195) 0.736 4.381 ( -5.181 0.000 -0.844) 5.249 4.474 ( -2.326 0.000 7.171) 7.539 4.537 ( 2.521 0.000 -4.288) 4.974 4.559 ( 4.455 0.000 -6.170) 7.610 4.620 ( 1.204 0.000 -2.967) 3.202 4.698 ( 4.815 0.000 4.076) 6.308 4.744 ( -4.245 0.000 3.753) 5.666 4.852 ( -1.781 0.000 1.775) 2.514 4.985 ( 2.652 0.000 -5.113) 5.760 5.000 ( -3.986 0.000 5.808) 7.044 5.072 ( -1.269 0.000 2.381) 2.698 5.164 ( -2.333 0.000 -2.591) 3.487 5.200 ( 1.656 0.000 -0.758) 1.821 5.209 ( -4.620 0.000 0.889) 4.705 5.449 ( -2.109 0.000 1.684) 2.699 5.506 ( 1.615 0.000 -0.120) 1.620 5.636 ( 1.964 0.000 -8.072) 8.307 5.668 ( 10.731 0.000 0.170) 10.732 5.819 ( -16.063 0.000 -2.660) 16.282 5.861 ( -1.533 0.000 -0.954) 1.805 5.963 ( 2.845 0.000 0.627) 2.913 6.015 ( -0.221 0.000 1.060) 1.083 6.267 ( -1.353 0.000 1.042) 1.708 6.316 ( 0.851 0.000 0.485) 0.980 6.365 ( -0.689 0.000 -2.080) 2.191 6.489 ( 4.079 0.000 6.097) 7.335 6.587 ( 0.905 0.000 1.460) 1.717 6.826 ( 1.102 0.000 4.217) 4.359 6.883 ( 3.296 0.000 -2.758) 4.298 6.915 ( -5.048 0.000 -3.117) 5.933 6.963 ( -3.472 0.000 -0.715) 3.545 6.994 ( 3.689 0.000 -2.097) 4.243 7.090 ( -4.480 0.000 -1.196) 4.637 7.381 ( -4.466 0.000 2.203) 4.980 7.840 ( -17.391 0.000 -2.131) 17.522 7.924 ( -10.933 0.000 -0.401) 10.941 8.154 ( -17.268 0.000 -0.430) 17.273 8.334 ( -12.261 0.000 0.846) 12.290 8.699 ( 4.313 0.000 -4.101) 5.952 8.768 ( 0.543 0.000 -0.038) 0.545 8.806 ( -0.864 0.000 3.266) 3.378 8.930 ( 2.229 0.000 2.866) 3.631 9.015 ( 1.467 0.000 2.453) 2.858 9.108 ( 2.703 0.000 -2.698) 3.819 9.124 ( 2.240 0.000 1.097) 2.494 9.144 ( 2.986 0.000 -0.432) 3.017 9.318 ( 8.549 0.000 3.355) 9.183 9.350 ( 4.727 0.000 -1.310) 4.905 9.375 ( 6.596 0.000 -0.727) 6.636 9.456 ( 2.822 0.000 -0.586) 2.882 9.780 ( 0.167 0.000 0.354) 0.391 9.801 ( -10.449 0.000 -0.682) 10.471 9.912 ( -10.976 0.000 -0.053) 10.976 9.963 ( -5.515 0.000 4.319) 7.005 10.004 ( 0.075 0.000 -5.778) 5.778 10.098 ( -12.781 0.000 -1.024) 12.822 10.280 ( -8.389 0.000 -2.785) 8.839 10.305 ( -6.694 0.000 2.081) 7.010 10.546 ( -3.553 0.000 2.172) 4.164 10.553 ( -1.860 0.000 -0.246) 1.876 10.790 ( -6.496 0.000 1.309) 6.627 10.800 ( -5.087 0.000 -1.843) 5.411 11.370 ( 13.483 0.000 0.070) 13.484 11.415 ( 3.194 0.000 0.438) 3.224 11.444 ( 11.138 0.000 -0.463) 11.148 11.510 ( 5.839 0.000 1.062) 5.935 11.859 ( 4.925 0.000 0.753) 4.982 11.930 ( -1.366 0.000 -0.083) 1.368 12.009 ( -1.809 0.000 1.551) 2.383 12.068 ( -3.503 0.000 -0.777) 3.588 12.149 ( -1.579 0.000 0.580) 1.682 12.169 ( 5.752 0.000 -1.165) 5.869 12.281 ( 3.937 0.000 -1.086) 4.084 12.366 ( 2.605 0.000 -1.331) 2.926 12.472 ( 3.435 0.000 1.443) 3.726 12.563 ( 3.730 0.000 1.001) 3.861 12.741 ( -0.728 0.000 -0.401) 0.832 12.794 ( -1.606 0.000 -0.442) 1.666 13.081 ( 3.201 0.000 1.049) 3.368 13.147 ( 1.749 0.000 -1.067) 2.049 13.582 ( 11.694 0.000 1.664) 11.812 13.582 ( 12.937 0.000 -2.650) 13.205 13.637 ( -8.247 0.000 0.363) 8.255 13.650 ( -10.052 0.000 -0.398) 10.060 14.014 ( -4.856 0.000 0.492) 4.880 14.119 ( -4.111 0.000 1.055) 4.244 14.147 ( -0.857 0.000 0.338) 0.921 14.173 ( 1.536 0.000 1.437) 2.103 14.427 ( -1.277 0.000 -1.927) 2.312 14.433 ( 0.253 0.000 0.626) 0.676 14.760 ( 10.439 0.000 0.775) 10.468 14.947 ( 9.859 0.000 -3.924) 10.612 15.130 ( 8.042 0.000 2.050) 8.299 15.174 ( 12.546 0.000 0.508) 12.556 15.266 ( 9.820 0.000 -0.212) 9.823 15.307 ( 0.829 0.000 -0.805) 1.156 15.372 ( 1.626 0.000 1.781) 2.412 15.442 ( 0.091 0.000 -2.548) 2.549 15.709 ( 4.727 0.000 3.158) 5.685 15.732 ( 6.463 0.000 -4.835) 8.071 15.782 ( -4.301 0.000 -5.769) 7.196 15.813 ( -2.738 0.000 2.882) 3.975 16.257 ( 0.459 0.000 2.260) 2.307 16.308 ( 4.559 0.000 -2.528) 5.213 16.320 ( 0.298 0.000 -2.174) 2.195 16.377 ( 1.537 0.000 2.975) 3.348 17.129 ( 0.204 0.000 -0.235) 0.311 17.176 ( 1.039 0.000 0.215) 1.061 17.207 ( -0.711 0.000 1.090) 1.302 17.268 ( 0.094 0.000 -1.090) 1.094 19.657 ( 6.312 0.000 1.998) 6.621 19.731 ( 5.003 0.000 -3.351) 6.022 19.899 ( 6.021 0.000 1.370) 6.175 19.905 ( 4.433 0.000 -0.121) 4.435 20.369 ( -9.622 0.000 1.503) 9.739 20.469 ( -9.622 0.000 1.655) 9.764 20.629 ( -6.761 0.000 -1.493) 6.924 20.742 ( -5.641 0.000 -0.961) 5.722 21.808 ( 8.865 0.000 -0.997) 8.921 21.834 ( 9.777 0.000 -1.276) 9.860 21.932 ( 9.721 0.000 0.762) 9.751 21.964 ( 10.327 0.000 1.039) 10.379 22.743 ( -8.158 0.000 -0.713) 8.189 22.884 ( -6.215 0.000 -0.515) 6.237 22.972 ( -12.426 0.000 1.750) 12.549 23.051 ( -10.193 0.000 0.315) 10.198 26.838 ( 17.162 0.000 1.225) 17.206 26.864 ( 18.028 0.000 -1.261) 18.072 27.111 ( 24.931 0.000 8.690) 26.402 27.209 ( 25.114 0.000 -12.957) 28.260 28.551 ( -23.270 0.000 0.230) 23.271 28.593 ( -22.240 0.000 -0.737) 22.252 28.940 ( -19.708 0.000 1.152) 19.742 28.989 ( -20.951 0.000 -1.533) 21.007 30.048 ( 15.134 0.000 -0.892) 15.160 30.069 ( 16.472 0.000 2.066) 16.601 30.438 ( 4.323 0.000 4.391) 6.162 30.549 ( 5.555 0.000 -2.596) 6.132 30.583 ( 3.124 0.000 -1.660) 3.538 30.655 ( 8.190 0.000 1.339) 8.299 30.850 ( 8.666 0.000 1.219) 8.751 30.881 ( 6.675 0.000 -4.260) 7.918 31.206 ( -3.568 0.000 -1.090) 3.731 31.363 ( -4.894 0.000 3.138) 5.814 31.563 ( -9.237 0.000 4.525) 10.286 31.680 ( -9.289 0.000 -1.273) 9.376 31.754 ( -0.183 0.000 -0.564) 0.593 31.876 ( -4.495 0.000 -3.342) 5.601 32.022 ( 2.179 0.000 6.578) 6.929 32.140 ( 0.985 0.000 -17.674) 17.701 32.519 ( 10.779 0.000 3.597) 11.364 32.585 ( 11.331 0.000 2.736) 11.657 32.723 ( 12.760 0.000 -5.048) 13.723 32.766 ( 13.114 0.000 -0.698) 13.133 33.286 ( -4.091 0.000 1.042) 4.222 33.303 ( -3.657 0.000 2.359) 4.352 33.502 ( -7.285 0.000 -4.965) 8.816 33.503 ( -5.281 0.000 1.013) 5.377 34.525 ( -2.944 0.000 -1.051) 3.126 34.626 ( -3.313 0.000 -2.430) 4.109 34.804 ( 3.695 0.000 0.433) 3.721 34.857 ( 2.309 0.000 1.826) 2.943 35.221 ( 1.011 0.000 -1.667) 1.950 35.331 ( 2.758 0.000 -0.760) 2.861 35.484 ( 3.513 0.000 -2.326) 4.213 35.507 ( 2.977 0.000 -0.084) 2.978 35.678 ( 3.655 0.000 10.052) 10.696 35.724 ( -0.137 0.000 -6.217) 6.218 35.755 ( 5.248 0.000 7.866) 9.456 35.804 ( 5.656 0.000 -9.318) 10.900 36.791 ( -5.751 0.000 21.693) 22.443 36.995 ( -9.780 0.000 -17.934) 20.428 37.539 ( -27.145 0.000 18.728) 32.979 37.794 ( -22.159 0.000 -10.291) 24.432 ======================= Grid point 48 (19/63) ======================= q-point: ( 0.38 0.00 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 3.663 0.000 1.460) 3.943 1.191 ( 3.251 0.000 -2.738) 4.250 1.236 ( -0.286 0.000 -2.235) 2.254 1.293 ( -0.745 0.000 0.282) 0.796 1.499 ( 2.343 0.000 -1.712) 2.901 1.628 ( 5.575 0.000 -2.795) 6.236 1.666 ( 4.823 0.000 -0.562) 4.856 1.785 ( 0.477 0.000 6.896) 6.912 1.902 ( -3.101 0.000 -5.166) 6.025 1.926 ( 2.665 0.000 2.682) 3.781 1.951 ( -1.061 0.000 -3.594) 3.748 1.979 ( -1.704 0.000 -0.270) 1.725 2.019 ( 3.487 0.000 -4.988) 6.086 2.116 ( 10.591 0.000 10.910) 15.206 2.274 ( 5.822 0.000 -3.851) 6.980 2.288 ( -4.434 0.000 -1.761) 4.771 2.511 ( -0.639 0.000 1.238) 1.394 2.558 ( -10.999 0.000 2.514) 11.283 2.658 ( -1.719 0.000 -2.851) 3.329 2.698 ( -1.054 0.000 3.447) 3.605 2.772 ( 3.504 0.000 -1.777) 3.929 2.863 ( 4.647 0.000 6.726) 8.175 3.070 ( 5.232 0.000 -1.643) 5.484 3.081 ( -9.519 0.000 -0.883) 9.560 3.192 ( 13.575 0.000 -3.440) 14.004 3.206 ( 6.934 0.000 -5.284) 8.718 3.328 ( 10.680 0.000 1.165) 10.743 3.342 ( 13.067 0.000 5.067) 14.015 3.390 ( 13.657 0.000 -1.084) 13.700 3.425 ( -6.354 0.000 -2.161) 6.712 3.518 ( 5.274 0.000 -1.393) 5.455 3.560 ( 8.299 0.000 -1.683) 8.468 3.647 ( 1.796 0.000 -2.709) 3.251 3.693 ( 2.776 0.000 -3.750) 4.666 3.723 ( 4.500 0.000 -1.483) 4.738 3.843 ( -5.376 0.000 5.644) 7.795 3.869 ( 2.019 0.000 5.780) 6.123 3.923 ( -0.077 0.000 -4.013) 4.014 4.036 ( -1.720 0.000 -6.753) 6.968 4.039 ( -6.260 0.000 3.870) 7.360 4.123 ( -1.094 0.000 2.989) 3.183 4.320 ( -2.702 0.000 3.359) 4.311 4.360 ( 0.609 0.000 -2.076) 2.164 4.521 ( 0.683 0.000 -1.385) 1.544 4.561 ( 1.792 0.000 -4.463) 4.809 4.604 ( 2.671 0.000 8.404) 8.818 4.680 ( 1.256 0.000 2.378) 2.689 4.705 ( -4.165 0.000 -0.806) 4.242 4.721 ( -1.346 0.000 1.588) 2.082 4.834 ( 0.740 0.000 -3.454) 3.532 4.973 ( -4.600 0.000 0.185) 4.603 4.987 ( 0.124 0.000 -2.403) 2.407 5.099 ( -6.022 0.000 1.282) 6.157 5.128 ( 0.896 0.000 2.449) 2.608 5.149 ( 1.311 0.000 7.809) 7.918 5.263 ( 1.638 0.000 3.300) 3.684 5.337 ( -10.035 0.000 -3.315) 10.568 5.558 ( 3.080 0.000 0.058) 3.081 5.570 ( -7.942 0.000 0.308) 7.948 5.571 ( 1.351 0.000 -3.593) 3.839 5.794 ( 3.460 0.000 0.576) 3.508 5.801 ( -2.070 0.000 -3.653) 4.199 5.980 ( -1.157 0.000 -0.009) 1.157 6.009 ( 0.610 0.000 -1.119) 1.274 6.225 ( -0.609 0.000 -2.013) 2.103 6.381 ( 5.214 0.000 -0.349) 5.226 6.435 ( 6.469 0.000 1.312) 6.601 6.583 ( 1.621 0.000 -2.612) 3.075 6.667 ( 1.806 0.000 4.637) 4.976 6.821 ( 0.562 0.000 -0.370) 0.673 6.835 ( -1.462 0.000 -2.565) 2.953 6.887 ( -1.317 0.000 -1.195) 1.778 6.929 ( -0.324 0.000 2.914) 2.932 7.043 ( 4.719 0.000 -0.925) 4.809 7.058 ( -0.010 0.000 1.085) 1.085 7.285 ( -8.269 0.000 -1.080) 8.339 7.589 ( -9.032 0.000 0.585) 9.050 7.752 ( -7.382 0.000 -0.321) 7.389 7.900 ( -10.482 0.000 0.669) 10.503 8.147 ( -9.823 0.000 0.594) 9.841 8.730 ( 3.696 0.000 -3.410) 5.029 8.769 ( 0.865 0.000 -1.883) 2.072 8.845 ( 0.054 0.000 3.799) 3.800 8.972 ( -0.113 0.000 1.368) 1.372 9.062 ( -0.051 0.000 2.743) 2.743 9.102 ( 2.238 0.000 -3.145) 3.860 9.166 ( 0.254 0.000 2.052) 2.067 9.208 ( 2.891 0.000 1.134) 3.106 9.379 ( 2.436 0.000 -1.649) 2.942 9.448 ( 4.194 0.000 -0.140) 4.196 9.479 ( -2.259 0.000 1.556) 2.743 9.532 ( 9.230 0.000 1.524) 9.355 9.599 ( -10.978 0.000 0.142) 10.979 9.707 ( -5.247 0.000 -0.891) 5.322 9.788 ( -1.816 0.000 -0.658) 1.931 9.860 ( -10.423 0.000 -2.817) 10.797 9.956 ( 1.398 0.000 -3.946) 4.187 9.982 ( -1.443 0.000 3.083) 3.404 10.127 ( -4.883 0.000 -1.675) 5.162 10.247 ( -3.717 0.000 1.557) 4.030 10.521 ( -2.504 0.000 1.711) 3.032 10.529 ( -0.861 0.000 0.151) 0.874 10.693 ( -4.813 0.000 0.589) 4.849 10.712 ( -2.875 0.000 -0.708) 2.961 11.464 ( 1.504 0.000 0.661) 1.643 11.559 ( 7.937 0.000 -0.305) 7.942 11.583 ( 5.496 0.000 -0.123) 5.497 11.598 ( 3.040 0.000 0.286) 3.053 11.917 ( -0.336 0.000 0.197) 0.389 11.939 ( 3.009 0.000 0.234) 3.018 11.998 ( -2.848 0.000 -0.722) 2.938 12.026 ( 0.251 0.000 0.748) 0.789 12.156 ( 0.858 0.000 2.332) 2.485 12.240 ( 4.262 0.000 -0.735) 4.325 12.344 ( -0.360 0.000 -1.661) 1.699 12.370 ( 6.308 0.000 -0.848) 6.365 12.561 ( 3.760 0.000 0.793) 3.842 12.593 ( -0.462 0.000 -0.401) 0.612 12.718 ( -5.492 0.000 -1.031) 5.588 12.723 ( -2.126 0.000 0.537) 2.193 13.171 ( 5.717 0.000 0.579) 5.746 13.190 ( 4.138 0.000 -0.772) 4.209 13.480 ( -7.162 0.000 0.639) 7.190 13.489 ( -7.779 0.000 -0.464) 7.792 13.766 ( 9.262 0.000 -0.332) 9.268 13.809 ( 9.469 0.000 0.049) 9.469 13.963 ( -1.659 0.000 0.020) 1.659 14.069 ( -2.022 0.000 0.579) 2.103 14.145 ( -0.082 0.000 0.266) 0.278 14.212 ( 1.539 0.000 0.538) 1.631 14.347 ( -4.914 0.000 -1.049) 5.025 14.429 ( -1.495 0.000 0.026) 1.495 14.923 ( 6.146 0.000 0.851) 6.205 15.008 ( 3.563 0.000 -2.665) 4.449 15.169 ( -6.061 0.000 3.025) 6.774 15.212 ( -6.157 0.000 -0.938) 6.228 15.344 ( 6.849 0.000 -0.743) 6.889 15.363 ( 6.375 0.000 1.286) 6.504 15.476 ( 2.831 0.000 -0.894) 2.969 15.532 ( 6.416 0.000 -0.481) 6.434 15.706 ( 4.162 0.000 -3.508) 5.443 15.770 ( -1.043 0.000 2.041) 2.292 15.803 ( 5.430 0.000 -1.832) 5.731 15.883 ( 4.501 0.000 3.584) 5.753 16.271 ( -2.140 0.000 -0.841) 2.300 16.290 ( -0.077 0.000 2.330) 2.331 16.362 ( 3.722 0.000 -1.695) 4.090 16.379 ( -4.227 0.000 1.459) 4.472 17.134 ( 0.496 0.000 -0.048) 0.499 17.202 ( 1.293 0.000 0.372) 1.346 17.208 ( -0.742 0.000 0.827) 1.111 17.250 ( -0.039 0.000 -1.695) 1.695 19.808 ( 8.260 0.000 -2.215) 8.552 19.818 ( 9.240 0.000 1.662) 9.388 19.988 ( 4.169 0.000 -0.263) 4.177 20.038 ( 5.530 0.000 1.657) 5.773 20.226 ( -8.949 0.000 2.428) 9.272 20.306 ( -10.351 0.000 1.424) 10.449 20.505 ( -5.895 0.000 -0.089) 5.896 20.621 ( -6.000 0.000 -0.944) 6.074 21.961 ( 8.614 0.000 -0.004) 8.614 21.988 ( 10.197 0.000 -1.713) 10.340 22.120 ( 9.646 0.000 0.663) 9.669 22.158 ( 10.532 0.000 -0.057) 10.533 22.596 ( -7.197 0.000 -0.402) 7.208 22.747 ( -8.275 0.000 -1.122) 8.350 22.790 ( -10.300 0.000 1.965) 10.486 22.865 ( -10.442 0.000 -0.101) 10.443 27.166 ( 18.189 0.000 -1.477) 18.249 27.178 ( 18.349 0.000 1.896) 18.447 27.477 ( 20.385 0.000 -7.002) 21.554 27.671 ( 20.730 0.000 11.997) 23.951 28.181 ( -19.515 0.000 0.662) 19.527 28.216 ( -18.379 0.000 -1.920) 18.479 28.576 ( -22.457 0.000 -2.477) 22.594 28.618 ( -18.276 0.000 2.550) 18.453 30.250 ( 9.574 0.000 -1.150) 9.643 30.341 ( 11.329 0.000 1.896) 11.486 30.535 ( 1.194 0.000 3.044) 3.270 30.566 ( -1.145 0.000 -1.738) 2.081 30.660 ( 9.557 0.000 -2.358) 9.843 30.826 ( 9.229 0.000 1.200) 9.307 30.958 ( 0.562 0.000 3.124) 3.174 31.007 ( 7.789 0.000 1.869) 8.010 31.128 ( -0.490 0.000 -1.315) 1.403 31.225 ( -10.879 0.000 -0.317) 10.883 31.435 ( -11.848 0.000 4.786) 12.778 31.493 ( -8.194 0.000 -1.895) 8.411 31.810 ( 4.534 0.000 -0.068) 4.535 31.813 ( 2.455 0.000 -4.029) 4.718 32.081 ( 3.460 0.000 0.156) 3.464 32.172 ( 0.036 0.000 11.422) 11.423 32.697 ( 4.534 0.000 2.260) 5.066 32.779 ( 8.084 0.000 -0.684) 8.113 32.912 ( 12.163 0.000 0.665) 12.181 32.966 ( 11.112 0.000 -1.117) 11.168 33.199 ( -5.063 0.000 -2.691) 5.734 33.264 ( -3.248 0.000 1.480) 3.569 33.341 ( -7.539 0.000 1.012) 7.607 33.421 ( -7.640 0.000 3.055) 8.228 34.478 ( -1.244 0.000 -0.025) 1.244 34.555 ( -1.055 0.000 -1.718) 2.016 34.850 ( 2.393 0.000 -1.893) 3.051 34.893 ( 0.905 0.000 -0.902) 1.278 35.231 ( 0.798 0.000 1.190) 1.433 35.358 ( 1.844 0.000 -1.506) 2.381 35.510 ( 2.087 0.000 -0.919) 2.280 35.534 ( 1.044 0.000 -0.935) 1.402 35.663 ( 3.058 0.000 -7.460) 8.063 35.795 ( 7.172 0.000 -10.229) 12.493 35.839 ( 0.473 0.000 4.122) 4.149 35.916 ( 3.880 0.000 3.085) 4.957 36.681 ( -1.449 0.000 -11.594) 11.684 36.871 ( -8.748 0.000 11.162) 14.181 37.309 ( -12.149 0.000 -12.261) 17.261 37.311 ( -22.055 0.000 11.902) 25.062 ======================= Grid point 49 (20/63) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -2.180 0.000 -0.756) 2.307 1.204 ( 1.773 0.000 -2.472) 3.042 1.212 ( 1.649 0.000 -2.115) 2.682 1.254 ( -2.508 0.000 -2.144) 3.300 1.499 ( -1.207 0.000 1.120) 1.647 1.687 ( -6.052 0.000 -4.497) 7.540 1.722 ( 2.862 0.000 -3.084) 4.207 1.750 ( -1.820 0.000 1.852) 2.596 1.799 ( 2.823 0.000 -4.560) 5.363 1.838 ( -2.045 0.000 -9.524) 9.741 1.964 ( 5.310 0.000 5.128) 7.382 2.115 ( 1.754 0.000 2.539) 3.086 2.125 ( 7.941 0.000 8.809) 11.860 2.160 ( -10.107 0.000 1.273) 10.187 2.364 ( 3.104 0.000 -0.215) 3.111 2.387 ( 6.272 0.000 1.020) 6.354 2.412 ( -0.251 0.000 -2.298) 2.312 2.418 ( -7.650 0.000 8.700) 11.585 2.627 ( -6.401 0.000 -4.750) 7.971 2.727 ( 3.202 0.000 6.627) 7.360 2.798 ( -14.412 0.000 -5.995) 15.609 2.822 ( 5.134 0.000 -2.635) 5.770 2.986 ( 5.093 0.000 -2.538) 5.690 3.127 ( 3.292 0.000 -4.797) 5.818 3.197 ( -10.706 0.000 -5.581) 12.074 3.234 ( 1.147 0.000 -3.406) 3.594 3.260 ( 5.207 0.000 -4.774) 7.064 3.371 ( -5.845 0.000 -1.440) 6.020 3.501 ( -6.539 0.000 -1.066) 6.625 3.549 ( -1.734 0.000 -1.476) 2.277 3.581 ( 3.636 0.000 -1.819) 4.066 3.606 ( -1.712 0.000 -0.459) 1.773 3.630 ( 14.816 0.000 -2.463) 15.020 3.663 ( -7.585 0.000 -2.891) 8.118 3.808 ( 5.323 0.000 0.492) 5.346 3.855 ( -7.632 0.000 0.359) 7.640 3.878 ( 1.489 0.000 4.815) 5.040 3.941 ( 11.393 0.000 -6.523) 13.128 4.025 ( -0.836 0.000 5.957) 6.015 4.082 ( 0.771 0.000 12.367) 12.391 4.210 ( 0.887 0.000 5.487) 5.558 4.354 ( 0.069 0.000 5.248) 5.248 4.378 ( 1.838 0.000 -0.594) 1.931 4.478 ( -4.500 0.000 -5.157) 6.844 4.534 ( 1.393 0.000 0.057) 1.394 4.640 ( -0.434 0.000 -0.545) 0.697 4.664 ( -2.227 0.000 0.767) 2.356 4.667 ( -0.503 0.000 0.238) 0.557 4.738 ( 2.331 0.000 -1.116) 2.584 4.812 ( 2.857 0.000 -4.752) 5.545 4.864 ( -6.196 0.000 -0.591) 6.224 4.930 ( -1.425 0.000 -2.444) 2.829 5.051 ( -2.017 0.000 1.856) 2.741 5.114 ( -2.048 0.000 1.883) 2.782 5.275 ( 5.362 0.000 -2.485) 5.910 5.285 ( 0.654 0.000 9.431) 9.453 5.368 ( 1.273 0.000 8.997) 9.086 5.461 ( -5.598 0.000 -1.416) 5.774 5.544 ( -0.548 0.000 -2.745) 2.799 5.659 ( 4.375 0.000 4.845) 6.528 5.748 ( 2.656 0.000 -4.578) 5.292 5.847 ( 1.821 0.000 1.522) 2.374 5.946 ( -1.259 0.000 -0.895) 1.545 6.004 ( 0.925 0.000 -1.917) 2.128 6.229 ( 2.207 0.000 0.341) 2.233 6.442 ( -1.021 0.000 -1.270) 1.629 6.473 ( -0.894 0.000 -5.000) 5.079 6.488 ( -2.434 0.000 -1.704) 2.971 6.792 ( 1.715 0.000 1.635) 2.369 6.833 ( 1.217 0.000 0.057) 1.218 6.845 ( -1.034 0.000 3.983) 4.115 6.846 ( 1.640 0.000 -0.150) 1.647 6.973 ( -1.128 0.000 4.425) 4.566 7.037 ( -1.306 0.000 -1.323) 1.859 7.059 ( -3.647 0.000 -3.995) 5.409 7.158 ( 2.154 0.000 -1.633) 2.703 7.560 ( 1.250 0.000 3.637) 3.846 7.695 ( 1.004 0.000 0.465) 1.107 7.855 ( 1.705 0.000 4.027) 4.373 8.042 ( -1.539 0.000 -0.566) 1.640 8.727 ( 1.256 0.000 -3.284) 3.516 8.746 ( 0.145 0.000 -3.225) 3.228 8.886 ( -1.080 0.000 3.616) 3.774 8.972 ( -0.736 0.000 0.124) 0.746 9.067 ( -2.921 0.000 2.060) 3.574 9.132 ( 3.851 0.000 -0.995) 3.978 9.181 ( -1.380 0.000 2.099) 2.512 9.246 ( -0.712 0.000 1.329) 1.508 9.410 ( 0.764 0.000 0.605) 0.975 9.458 ( -2.866 0.000 1.765) 3.366 9.478 ( 1.762 0.000 -0.284) 1.785 9.494 ( 0.958 0.000 -0.825) 1.265 9.574 ( -0.751 0.000 -2.249) 2.371 9.646 ( -6.947 0.000 -3.737) 7.888 9.758 ( 7.197 0.000 1.478) 7.347 9.794 ( 0.707 0.000 0.208) 0.737 9.952 ( -3.332 0.000 -1.543) 3.672 9.964 ( 4.211 0.000 -1.819) 4.587 10.105 ( 2.438 0.000 1.510) 2.868 10.196 ( -2.461 0.000 -1.050) 2.676 10.500 ( -1.549 0.000 0.869) 1.776 10.525 ( 0.179 0.000 0.256) 0.313 10.660 ( -0.263 0.000 0.980) 1.015 10.690 ( 0.655 0.000 0.198) 0.684 11.484 ( -0.397 0.000 1.046) 1.118 11.601 ( -0.536 0.000 -1.706) 1.788 11.634 ( 0.043 0.000 0.268) 0.272 11.640 ( 0.232 0.000 0.201) 0.307 11.913 ( -0.224 0.000 0.097) 0.244 11.954 ( -0.778 0.000 -0.834) 1.141 11.980 ( 0.853 0.000 0.762) 1.143 12.023 ( -0.391 0.000 -0.324) 0.508 12.177 ( -2.332 0.000 2.038) 3.097 12.289 ( 1.208 0.000 0.238) 1.232 12.363 ( 2.153 0.000 0.859) 2.318 12.434 ( 1.131 0.000 -1.404) 1.803 12.564 ( -0.642 0.000 -0.882) 1.090 12.604 ( -3.769 0.000 -1.669) 4.122 12.638 ( 3.689 0.000 0.492) 3.722 12.687 ( -0.876 0.000 -0.573) 1.047 13.240 ( 0.883 0.000 -0.223) 0.911 13.241 ( -1.048 0.000 -0.240) 1.075 13.400 ( 0.857 0.000 -0.155) 0.871 13.403 ( -1.167 0.000 -0.207) 1.185 13.872 ( 1.140 0.000 2.244) 2.517 13.903 ( 1.360 0.000 0.278) 1.388 13.947 ( 0.244 0.000 -0.423) 0.489 14.067 ( -1.908 0.000 -0.186) 1.917 14.125 ( -0.496 0.000 -1.443) 1.526 14.213 ( -1.619 0.000 -1.737) 2.375 14.295 ( 1.373 0.000 1.194) 1.819 14.396 ( -0.354 0.000 -1.117) 1.171 14.987 ( 0.428 0.000 -0.253) 0.497 15.049 ( 3.063 0.000 -1.633) 3.471 15.091 ( -4.211 0.000 1.039) 4.337 15.132 ( 0.024 0.000 0.024) 0.034 15.411 ( -2.738 0.000 -0.301) 2.755 15.435 ( 2.268 0.000 -0.521) 2.327 15.495 ( 2.463 0.000 0.508) 2.515 15.533 ( -1.747 0.000 -0.514) 1.821 15.790 ( -1.205 0.000 0.307) 1.244 15.794 ( 2.099 0.000 -0.073) 2.101 15.875 ( 5.817 0.000 2.445) 6.310 15.918 ( -4.012 0.000 0.996) 4.134 16.252 ( 1.199 0.000 0.491) 1.296 16.298 ( -3.639 0.000 0.831) 3.733 16.314 ( -0.537 0.000 -0.262) 0.597 16.400 ( 2.315 0.000 -0.567) 2.383 17.143 ( 0.227 0.000 0.356) 0.422 17.201 ( -0.804 0.000 0.427) 0.910 17.201 ( -0.975 0.000 -1.031) 1.419 17.250 ( 1.680 0.000 -0.634) 1.795 19.939 ( 6.818 0.000 -0.876) 6.874 19.946 ( -4.582 0.000 -0.919) 4.673 20.010 ( 5.506 0.000 1.020) 5.599 20.030 ( -4.773 0.000 0.574) 4.807 20.169 ( -3.685 0.000 2.470) 4.436 20.213 ( -2.771 0.000 2.633) 3.822 20.455 ( 0.727 0.000 0.911) 1.165 20.566 ( 1.550 0.000 -0.161) 1.558 22.046 ( -0.625 0.000 0.263) 0.679 22.088 ( 1.114 0.000 -0.786) 1.364 22.239 ( 0.615 0.000 1.131) 1.287 22.276 ( 0.436 0.000 0.121) 0.452 22.522 ( 0.702 0.000 -0.407) 0.811 22.611 ( -1.618 0.000 -2.623) 3.082 22.712 ( -0.504 0.000 1.502) 1.584 22.758 ( 0.278 0.000 0.344) 0.442 27.378 ( -3.379 0.000 0.104) 3.380 27.380 ( 3.081 0.000 0.054) 3.082 27.704 ( 10.424 0.000 1.504) 10.532 27.824 ( -15.788 0.000 -1.931) 15.906 27.971 ( -3.104 0.000 0.318) 3.120 28.046 ( 6.617 0.000 -2.520) 7.081 28.399 ( 7.643 0.000 5.318) 9.311 28.444 ( -5.042 0.000 4.589) 6.818 30.337 ( 1.316 0.000 -0.482) 1.402 30.422 ( -3.802 0.000 -2.133) 4.359 30.547 ( -2.709 0.000 1.383) 3.042 30.552 ( 2.671 0.000 -0.027) 2.671 30.832 ( 7.727 0.000 2.671) 8.175 30.908 ( -5.092 0.000 2.639) 5.735 30.944 ( -1.550 0.000 0.356) 1.591 31.049 ( -1.232 0.000 -2.979) 3.224 31.194 ( 5.220 0.000 6.434) 8.285 31.204 ( 2.428 0.000 3.687) 4.415 31.289 ( -8.626 0.000 2.510) 8.984 31.421 ( 2.188 0.000 0.953) 2.387 31.829 ( 2.539 0.000 -0.888) 2.690 31.841 ( -0.990 0.000 -0.608) 1.161 32.248 ( 8.259 0.000 10.488) 13.349 32.250 ( -7.962 0.000 10.331) 13.043 32.724 ( -1.071 0.000 -1.149) 1.571 32.801 ( -2.526 0.000 -4.491) 5.153 33.093 ( 1.973 0.000 -0.525) 2.041 33.103 ( 1.905 0.000 4.108) 4.528 33.124 ( 2.086 0.000 -1.769) 2.735 33.225 ( -3.433 0.000 0.534) 3.474 33.287 ( 1.459 0.000 3.199) 3.516 33.335 ( -2.437 0.000 1.596) 2.913 34.491 ( 0.862 0.000 2.612) 2.751 34.560 ( 1.903 0.000 0.971) 2.136 34.837 ( 0.575 0.000 -4.089) 4.129 34.864 ( -0.787 0.000 -3.589) 3.675 35.281 ( 1.120 0.000 4.052) 4.204 35.355 ( 0.542 0.000 -2.248) 2.312 35.519 ( 0.150 0.000 -3.390) 3.393 35.543 ( 1.864 0.000 0.477) 1.924 35.636 ( 4.786 0.000 -8.021) 9.340 35.738 ( -6.627 0.000 -6.104) 9.009 35.788 ( 7.616 0.000 -11.829) 14.069 35.881 ( -6.228 0.000 -6.424) 8.947 36.737 ( 13.257 0.000 1.983) 13.404 36.767 ( -11.939 0.000 0.964) 11.978 37.064 ( -17.948 0.000 3.769) 18.340 37.239 ( 13.190 0.000 -1.295) 13.253 ======================= Grid point 50 (21/63) ======================= q-point: (-0.38 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.080 ( -7.241 0.000 -0.375) 7.251 1.114 ( -7.384 0.000 -5.130) 8.991 1.214 ( 0.165 0.000 -1.169) 1.180 1.220 ( 0.770 0.000 -1.140) 1.376 1.453 ( -12.699 0.000 -1.939) 12.846 1.481 ( -4.511 0.000 -1.367) 4.713 1.631 ( -5.285 0.000 -4.081) 6.677 1.663 ( 0.793 0.000 -0.718) 1.070 1.773 ( 0.462 0.000 -7.103) 7.118 1.776 ( -3.331 0.000 -1.145) 3.523 1.962 ( -11.933 0.000 4.083) 12.612 2.169 ( 0.368 0.000 1.297) 1.348 2.213 ( 2.147 0.000 3.478) 4.087 2.302 ( 6.329 0.000 6.285) 8.920 2.332 ( -11.284 0.000 -10.287) 15.270 2.377 ( 1.016 0.000 2.784) 2.964 2.449 ( 10.418 0.000 6.367) 12.209 2.461 ( -11.194 0.000 -7.791) 13.638 2.507 ( 2.517 0.000 8.579) 8.940 2.582 ( 0.235 0.000 -0.263) 0.353 2.785 ( -5.540 0.000 -3.537) 6.573 2.910 ( 3.279 0.000 5.905) 6.755 2.926 ( -8.425 0.000 -4.237) 9.430 2.932 ( -12.186 0.000 -5.383) 13.322 3.081 ( -6.927 0.000 -3.537) 7.777 3.182 ( -0.050 0.000 -4.962) 4.962 3.256 ( -11.109 0.000 -1.511) 11.211 3.259 ( 6.492 0.000 -4.966) 8.173 3.265 ( -1.435 0.000 -0.966) 1.730 3.430 ( 2.176 0.000 -6.278) 6.644 3.444 ( -16.068 0.000 -0.231) 16.070 3.472 ( -11.908 0.000 3.735) 12.480 3.672 ( -3.674 0.000 3.904) 5.361 3.726 ( -3.614 0.000 2.067) 4.163 3.804 ( -2.516 0.000 2.008) 3.219 3.918 ( 10.444 0.000 -2.575) 10.756 3.923 ( 2.576 0.000 1.180) 2.833 4.011 ( 3.924 0.000 -6.110) 7.261 4.092 ( -0.039 0.000 3.314) 3.314 4.207 ( -4.376 0.000 2.457) 5.019 4.247 ( -0.530 0.000 3.164) 3.209 4.355 ( -1.734 0.000 1.167) 2.090 4.396 ( 0.029 0.000 -1.925) 1.925 4.466 ( 4.892 0.000 5.441) 7.318 4.531 ( 2.017 0.000 -2.728) 3.393 4.618 ( 0.071 0.000 -0.343) 0.350 4.668 ( 1.354 0.000 -1.591) 2.089 4.699 ( 3.318 0.000 3.736) 4.997 4.809 ( -0.087 0.000 1.093) 1.096 4.822 ( 2.535 0.000 -0.165) 2.540 4.839 ( 3.781 0.000 4.624) 5.973 4.966 ( 7.560 0.000 -0.427) 7.572 5.053 ( 0.822 0.000 1.540) 1.746 5.152 ( 2.219 0.000 3.070) 3.788 5.317 ( -4.116 0.000 4.072) 5.790 5.334 ( -5.077 0.000 2.109) 5.498 5.359 ( 0.016 0.000 -4.631) 4.631 5.506 ( 8.429 0.000 -0.646) 8.454 5.521 ( -0.079 0.000 1.928) 1.930 5.732 ( 2.772 0.000 -6.886) 7.423 5.807 ( 4.657 0.000 4.782) 6.675 5.845 ( -4.943 0.000 2.368) 5.481 5.957 ( 4.013 0.000 -2.418) 4.685 5.988 ( -0.433 0.000 -2.099) 2.143 6.280 ( -0.647 0.000 1.893) 2.000 6.314 ( -4.938 0.000 -3.893) 6.288 6.399 ( -1.969 0.000 0.051) 1.970 6.440 ( -3.538 0.000 -2.918) 4.587 6.657 ( -8.897 0.000 0.911) 8.943 6.776 ( -4.507 0.000 -0.222) 4.513 6.899 ( 0.178 0.000 -0.226) 0.288 6.958 ( 4.021 0.000 3.191) 5.134 6.998 ( -1.928 0.000 -0.349) 1.959 7.014 ( 0.936 0.000 -1.489) 1.759 7.069 ( 6.295 0.000 2.702) 6.851 7.176 ( 2.594 0.000 -4.193) 4.930 7.695 ( 9.007 0.000 3.928) 9.826 7.773 ( 7.513 0.000 -1.037) 7.584 8.023 ( 9.788 0.000 5.334) 11.146 8.081 ( 8.192 0.000 -2.960) 8.710 8.701 ( -0.338 0.000 -3.390) 3.406 8.713 ( 1.096 0.000 -1.745) 2.060 8.902 ( -2.358 0.000 4.326) 4.927 8.948 ( -1.887 0.000 -0.508) 1.954 9.020 ( -4.259 0.000 0.959) 4.365 9.153 ( -0.803 0.000 -1.176) 1.424 9.173 ( -2.467 0.000 1.724) 3.010 9.244 ( -1.844 0.000 2.674) 3.248 9.403 ( -9.175 0.000 -3.234) 9.728 9.427 ( 1.187 0.000 -0.297) 1.224 9.447 ( -0.274 0.000 1.407) 1.433 9.476 ( -2.434 0.000 1.011) 2.636 9.635 ( 11.329 0.000 2.766) 11.662 9.682 ( 9.427 0.000 -2.803) 9.835 9.799 ( 1.778 0.000 -1.413) 2.271 9.830 ( -5.357 0.000 -2.417) 5.877 9.910 ( 8.458 0.000 -0.853) 8.501 10.048 ( 6.219 0.000 -0.082) 6.220 10.162 ( 1.596 0.000 -1.919) 2.496 10.223 ( 7.309 0.000 2.001) 7.577 10.502 ( 0.513 0.000 1.332) 1.428 10.548 ( 1.698 0.000 0.907) 1.925 10.690 ( 2.389 0.000 0.003) 2.389 10.735 ( 4.238 0.000 0.149) 4.240 11.474 ( -2.774 0.000 1.333) 3.077 11.537 ( -4.694 0.000 -1.248) 4.857 11.584 ( -6.314 0.000 -0.077) 6.314 11.586 ( -5.420 0.000 -0.103) 5.421 11.915 ( -0.022 0.000 0.280) 0.281 11.921 ( -1.583 0.000 -0.080) 1.585 11.997 ( -2.290 0.000 -0.224) 2.301 12.028 ( 3.004 0.000 0.508) 3.047 12.164 ( -1.473 0.000 2.471) 2.876 12.282 ( -2.262 0.000 0.313) 2.284 12.358 ( -5.439 0.000 -1.175) 5.565 12.381 ( -1.345 0.000 -1.501) 2.015 12.508 ( -3.542 0.000 -0.268) 3.552 12.565 ( 0.258 0.000 -0.656) 0.705 12.701 ( 3.030 0.000 -0.761) 3.124 12.744 ( 5.618 0.000 0.279) 5.625 13.152 ( -5.975 0.000 -0.082) 5.976 13.198 ( -3.666 0.000 -0.331) 3.680 13.462 ( 7.167 0.000 -0.027) 7.167 13.496 ( 7.945 0.000 -0.008) 7.945 13.818 ( -12.173 0.000 -0.295) 12.176 13.838 ( -6.723 0.000 1.913) 6.990 13.980 ( 1.616 0.000 1.668) 2.323 14.016 ( 1.798 0.000 -2.089) 2.756 14.136 ( 1.016 0.000 1.200) 1.572 14.144 ( -1.700 0.000 -2.083) 2.688 14.393 ( 1.310 0.000 -1.733) 2.172 14.399 ( 6.182 0.000 1.121) 6.283 14.905 ( -7.599 0.000 -0.379) 7.608 15.033 ( -0.946 0.000 -1.423) 1.709 15.097 ( 1.840 0.000 0.524) 1.913 15.228 ( 7.021 0.000 0.358) 7.030 15.328 ( -5.489 0.000 -0.134) 5.490 15.377 ( -6.465 0.000 0.598) 6.492 15.513 ( -2.948 0.000 0.384) 2.973 15.516 ( -2.507 0.000 -1.359) 2.852 15.690 ( -7.396 0.000 -1.275) 7.505 15.795 ( 1.583 0.000 1.022) 1.885 15.819 ( -6.253 0.000 -0.736) 6.296 16.017 ( 2.579 0.000 4.318) 5.030 16.246 ( -2.251 0.000 0.294) 2.270 16.314 ( 0.430 0.000 -1.325) 1.393 16.345 ( 6.495 0.000 2.699) 7.034 16.426 ( 1.352 0.000 1.065) 1.721 17.146 ( -0.521 0.000 0.579) 0.779 17.171 ( -0.666 0.000 -1.073) 1.263 17.194 ( -0.579 0.000 0.303) 0.654 17.266 ( 1.021 0.000 -0.742) 1.262 19.785 ( -9.736 0.000 -0.330) 9.742 19.893 ( -5.669 0.000 0.371) 5.681 20.007 ( -5.752 0.000 0.137) 5.754 20.055 ( -4.646 0.000 2.560) 5.304 20.201 ( 7.010 0.000 2.053) 7.304 20.277 ( 7.315 0.000 0.908) 7.371 20.550 ( 7.213 0.000 1.464) 7.360 20.640 ( 6.336 0.000 -1.004) 6.415 21.950 ( -9.043 0.000 -0.723) 9.072 21.999 ( -9.096 0.000 -1.057) 9.157 22.132 ( -11.204 0.000 0.959) 11.245 22.151 ( -11.519 0.000 -0.322) 11.523 22.629 ( 8.579 0.000 1.259) 8.671 22.683 ( 11.197 0.000 -2.962) 11.582 22.798 ( 7.124 0.000 1.626) 7.307 22.869 ( 9.954 0.000 -0.042) 9.954 27.130 ( -18.807 0.000 -0.397) 18.812 27.228 ( -17.249 0.000 1.136) 17.287 27.384 ( -25.459 0.000 -2.987) 25.633 27.883 ( 1.108 0.000 9.696) 9.759 28.160 ( 20.102 0.000 -0.183) 20.103 28.265 ( 17.082 0.000 -0.342) 17.086 28.594 ( 16.070 0.000 1.414) 16.132 28.679 ( 15.974 0.000 1.297) 16.027 30.260 ( -11.214 0.000 -1.342) 11.294 30.277 ( -8.374 0.000 0.773) 8.409 30.495 ( -4.585 0.000 1.008) 4.695 30.572 ( -0.240 0.000 -0.570) 0.619 30.770 ( -11.947 0.000 -1.887) 12.095 30.783 ( -7.345 0.000 2.332) 7.706 31.085 ( -11.063 0.000 1.389) 11.150 31.095 ( 10.617 0.000 5.558) 11.984 31.128 ( 6.104 0.000 -1.759) 6.352 31.266 ( -0.806 0.000 6.969) 7.015 31.420 ( 7.714 0.000 3.404) 8.432 31.550 ( 8.774 0.000 0.967) 8.827 31.783 ( -2.998 0.000 -1.160) 3.215 31.885 ( 2.045 0.000 4.269) 4.734 32.157 ( -12.040 0.000 4.746) 12.941 32.574 ( 7.331 0.000 10.329) 12.667 32.647 ( -5.251 0.000 -2.102) 5.657 32.650 ( -7.222 0.000 0.119) 7.223 32.992 ( -10.843 0.000 -0.064) 10.843 33.035 ( -6.648 0.000 0.525) 6.669 33.155 ( -0.205 0.000 -3.037) 3.044 33.258 ( 8.231 0.000 8.380) 11.746 33.439 ( 8.174 0.000 2.247) 8.478 33.470 ( 10.693 0.000 3.037) 11.115 34.557 ( 1.087 0.000 4.358) 4.491 34.621 ( 2.156 0.000 2.176) 3.063 34.763 ( -1.628 0.000 -6.276) 6.484 34.805 ( -0.168 0.000 -4.019) 4.023 35.323 ( -0.648 0.000 -2.514) 2.596 35.362 ( 1.247 0.000 5.345) 5.489 35.445 ( -1.130 0.000 -6.696) 6.790 35.555 ( 2.187 0.000 -4.774) 5.251 35.576 ( -5.543 0.000 -2.253) 5.983 35.635 ( 3.126 0.000 -3.780) 4.905 35.666 ( -6.233 0.000 -6.194) 8.788 35.755 ( 7.679 0.000 -14.561) 16.461 36.499 ( -15.079 0.000 -5.212) 15.954 36.789 ( -13.856 0.000 -3.975) 14.414 37.073 ( 17.650 0.000 5.393) 18.456 37.583 ( 22.593 0.000 1.844) 22.668 ======================= Grid point 51 (22/63) ======================= q-point: (-0.25 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.851 ( -19.192 0.000 1.053) 19.221 0.887 ( -17.102 0.000 0.111) 17.102 1.191 ( -3.585 0.000 0.601) 3.635 1.194 ( -0.461 0.000 -1.838) 1.895 1.272 ( -7.516 0.000 1.764) 7.720 1.334 ( -6.009 0.000 -1.663) 6.235 1.566 ( -5.962 0.000 6.182) 8.588 1.638 ( -6.931 0.000 -3.081) 7.585 1.698 ( 0.427 0.000 1.731) 1.783 1.728 ( -31.944 0.000 -5.039) 32.339 1.755 ( 3.495 0.000 -0.095) 3.496 2.016 ( -7.439 0.000 -1.970) 7.695 2.084 ( 0.383 0.000 -8.736) 8.744 2.227 ( -2.007 0.000 -0.507) 2.070 2.248 ( 5.578 0.000 -0.105) 5.579 2.350 ( -0.987 0.000 0.352) 1.048 2.479 ( 3.994 0.000 -1.643) 4.319 2.588 ( -2.436 0.000 6.041) 6.513 2.594 ( -4.240 0.000 -8.021) 9.073 2.635 ( -3.623 0.000 4.315) 5.634 2.695 ( -7.040 0.000 -0.431) 7.053 2.724 ( 10.280 0.000 3.743) 10.940 2.902 ( -8.259 0.000 2.596) 8.658 2.965 ( -1.526 0.000 5.767) 5.966 2.976 ( -13.936 0.000 -0.793) 13.958 3.028 ( 2.189 0.000 0.383) 2.222 3.044 ( 1.234 0.000 -3.168) 3.400 3.146 ( -8.389 0.000 0.454) 8.401 3.217 ( -2.380 0.000 1.181) 2.657 3.353 ( -9.331 0.000 5.276) 10.719 3.378 ( -3.968 0.000 -1.543) 4.258 3.408 ( 5.080 0.000 -5.424) 7.432 3.641 ( -9.526 0.000 3.110) 10.021 3.742 ( -2.205 0.000 -1.164) 2.494 3.771 ( -0.340 0.000 6.593) 6.602 3.867 ( -4.144 0.000 -6.078) 7.356 3.981 ( 1.873 0.000 -4.355) 4.741 4.042 ( 6.886 0.000 -5.757) 8.975 4.077 ( -5.819 0.000 1.307) 5.964 4.111 ( -4.720 0.000 -0.718) 4.775 4.256 ( -3.579 0.000 -2.194) 4.197 4.300 ( 3.360 0.000 2.352) 4.102 4.348 ( -2.764 0.000 -0.764) 2.868 4.546 ( 4.427 0.000 -3.337) 5.544 4.656 ( 4.788 0.000 5.508) 7.298 4.701 ( 3.223 0.000 5.823) 6.656 4.707 ( 3.935 0.000 -1.876) 4.360 4.809 ( 4.370 0.000 -3.353) 5.508 4.858 ( 4.532 0.000 7.209) 8.515 4.877 ( 3.048 0.000 1.555) 3.422 4.942 ( 1.776 0.000 4.105) 4.472 5.118 ( 5.980 0.000 -0.033) 5.981 5.134 ( 5.855 0.000 3.311) 6.726 5.211 ( -7.127 0.000 -1.720) 7.332 5.234 ( -2.344 0.000 5.764) 6.222 5.279 ( 2.745 0.000 -4.060) 4.901 5.348 ( 0.390 0.000 3.046) 3.071 5.538 ( -0.243 0.000 1.077) 1.104 5.593 ( 6.290 0.000 -8.959) 10.946 5.695 ( 2.218 0.000 -4.847) 5.331 5.794 ( -2.958 0.000 2.193) 3.683 5.868 ( -1.615 0.000 -4.625) 4.899 5.949 ( -1.932 0.000 -2.765) 3.374 5.951 ( -1.586 0.000 2.806) 3.223 6.191 ( -4.805 0.000 -2.894) 5.610 6.238 ( -3.150 0.000 1.295) 3.406 6.330 ( -2.622 0.000 -0.616) 2.693 6.457 ( 3.418 0.000 2.885) 4.473 6.605 ( -1.550 0.000 2.522) 2.960 6.695 ( -4.716 0.000 0.884) 4.798 6.894 ( -2.658 0.000 -3.075) 4.065 6.934 ( 1.231 0.000 -1.842) 2.215 6.983 ( -1.690 0.000 -2.031) 2.642 7.025 ( 0.023 0.000 0.298) 0.299 7.139 ( 0.210 0.000 -4.674) 4.679 7.197 ( 2.745 0.000 3.845) 4.724 7.921 ( 11.903 0.000 -2.217) 12.107 7.954 ( 15.985 0.000 1.694) 16.074 8.247 ( 15.012 0.000 -2.807) 15.272 8.280 ( 12.059 0.000 4.075) 12.729 8.652 ( -0.919 0.000 -2.971) 3.110 8.724 ( 1.553 0.000 -0.375) 1.597 8.898 ( -3.281 0.000 0.050) 3.281 8.923 ( -2.258 0.000 5.287) 5.749 8.961 ( -3.207 0.000 0.631) 3.268 9.110 ( -1.902 0.000 -0.990) 2.144 9.124 ( -4.665 0.000 -0.172) 4.668 9.223 ( -3.141 0.000 0.873) 3.260 9.255 ( -5.743 0.000 0.993) 5.828 9.388 ( -6.769 0.000 0.488) 6.786 9.430 ( -5.453 0.000 1.979) 5.801 9.457 ( 0.536 0.000 -0.998) 1.133 9.699 ( -3.033 0.000 -2.562) 3.971 9.820 ( 4.996 0.000 -1.063) 5.108 9.848 ( 10.043 0.000 -0.608) 10.061 9.917 ( 13.937 0.000 1.781) 14.050 10.066 ( 11.709 0.000 -2.996) 12.086 10.165 ( 4.614 0.000 1.436) 4.832 10.225 ( 10.095 0.000 -1.788) 10.252 10.362 ( 6.216 0.000 0.757) 6.262 10.558 ( 3.560 0.000 1.920) 4.045 10.601 ( 2.593 0.000 1.418) 2.955 10.723 ( 2.097 0.000 -1.353) 2.496 10.838 ( 7.410 0.000 0.039) 7.411 11.386 ( -12.419 0.000 0.732) 12.440 11.399 ( -7.662 0.000 -0.442) 7.675 11.470 ( -5.379 0.000 -0.770) 5.434 11.479 ( -6.352 0.000 1.502) 6.527 11.874 ( -5.055 0.000 1.405) 5.246 11.911 ( -0.214 0.000 -0.579) 0.617 12.001 ( 3.333 0.000 0.941) 3.463 12.074 ( 2.253 0.000 -0.441) 2.295 12.178 ( -0.781 0.000 1.730) 1.898 12.220 ( -4.743 0.000 0.436) 4.763 12.260 ( -5.974 0.000 -4.300) 7.360 12.294 ( -1.017 0.000 -0.308) 1.062 12.506 ( -0.081 0.000 2.090) 2.092 12.532 ( -3.229 0.000 -0.392) 3.253 12.749 ( 2.570 0.000 0.261) 2.583 12.785 ( -0.658 0.000 -1.006) 1.202 13.073 ( -3.571 0.000 0.697) 3.638 13.154 ( -0.173 0.000 -0.768) 0.787 13.558 ( -14.317 0.000 -0.099) 14.318 13.623 ( 9.666 0.000 -0.142) 9.667 13.653 ( 10.285 0.000 -0.138) 10.286 13.742 ( -5.800 0.000 1.398) 5.966 14.033 ( 1.380 0.000 3.191) 3.477 14.059 ( 5.359 0.000 -1.098) 5.470 14.125 ( 1.020 0.000 -0.439) 1.110 14.176 ( 1.043 0.000 1.218) 1.604 14.387 ( 0.279 0.000 -1.189) 1.222 14.466 ( 0.307 0.000 -0.422) 0.522 14.754 ( -10.189 0.000 0.574) 10.205 14.965 ( -5.179 0.000 -2.554) 5.774 15.116 ( -3.287 0.000 2.274) 3.997 15.190 ( -11.944 0.000 0.451) 11.953 15.261 ( -5.867 0.000 -0.768) 5.917 15.327 ( 4.488 0.000 -0.609) 4.529 15.343 ( -13.991 0.000 0.332) 13.995 15.477 ( 2.632 0.000 -0.806) 2.752 15.624 ( 0.961 0.000 -0.881) 1.304 15.729 ( -1.283 0.000 -1.557) 2.017 15.894 ( 5.524 0.000 1.674) 5.772 16.045 ( -1.862 0.000 0.101) 1.865 16.219 ( -1.869 0.000 0.468) 1.927 16.282 ( -2.146 0.000 -1.311) 2.515 16.375 ( -3.095 0.000 0.656) 3.163 16.617 ( 11.918 0.000 5.653) 13.190 17.147 ( -0.256 0.000 0.948) 0.983 17.156 ( 0.249 0.000 -0.872) 0.907 17.184 ( -0.919 0.000 0.080) 0.923 17.269 ( 0.358 0.000 -0.530) 0.640 19.635 ( -7.281 0.000 0.486) 7.297 19.818 ( -2.716 0.000 -1.424) 3.067 19.887 ( -7.497 0.000 1.523) 7.650 19.977 ( -7.185 0.000 2.583) 7.635 20.372 ( 8.563 0.000 2.094) 8.815 20.422 ( 7.879 0.000 0.078) 7.880 20.701 ( 7.358 0.000 1.310) 7.473 20.734 ( 6.357 0.000 -1.809) 6.609 21.748 ( -10.565 0.000 -3.009) 10.985 21.789 ( -11.783 0.000 -1.632) 11.896 21.950 ( -11.230 0.000 0.588) 11.246 21.965 ( -9.182 0.000 1.112) 9.249 22.794 ( 7.518 0.000 2.524) 7.930 22.851 ( 12.274 0.000 -3.734) 12.830 22.963 ( 8.127 0.000 2.931) 8.639 23.039 ( 9.268 0.000 -0.568) 9.285 26.818 ( -16.209 0.000 0.121) 16.209 26.912 ( -19.531 0.000 1.113) 19.562 26.951 ( -20.734 0.000 -1.630) 20.798 28.013 ( -1.398 0.000 11.923) 12.005 28.551 ( 23.890 0.000 0.312) 23.892 28.582 ( 20.822 0.000 -2.149) 20.932 28.917 ( 18.106 0.000 -0.085) 18.106 28.971 ( 18.298 0.000 -1.134) 18.333 30.012 ( -15.954 0.000 -0.707) 15.970 30.086 ( -14.921 0.000 1.556) 15.002 30.394 ( -11.645 0.000 1.175) 11.705 30.547 ( -1.362 0.000 -0.511) 1.454 30.548 ( -7.401 0.000 -2.299) 7.750 30.693 ( -6.093 0.000 1.696) 6.325 30.880 ( -12.328 0.000 0.708) 12.348 31.221 ( 5.697 0.000 -1.962) 6.025 31.254 ( 2.411 0.000 0.238) 2.423 31.449 ( 9.592 0.000 10.699) 14.370 31.524 ( 1.417 0.000 -0.165) 1.426 31.716 ( 9.329 0.000 0.717) 9.356 31.752 ( 1.237 0.000 -0.803) 1.474 32.017 ( 3.098 0.000 8.694) 9.229 32.041 ( -3.867 0.000 2.352) 4.526 32.446 ( -7.761 0.000 -3.707) 8.601 32.484 ( -12.239 0.000 1.383) 12.317 32.678 ( -10.566 0.000 2.298) 10.813 32.770 ( -13.511 0.000 -0.926) 13.543 33.042 ( 6.251 0.000 0.252) 6.257 33.169 ( 4.051 0.000 -1.191) 4.223 33.605 ( 7.907 0.000 0.951) 7.964 33.653 ( 19.213 0.000 12.691) 23.026 33.668 ( 8.534 0.000 2.222) 8.819 34.619 ( -0.107 0.000 3.982) 3.983 34.636 ( -2.333 0.000 -8.568) 8.880 34.671 ( 0.380 0.000 2.150) 2.184 34.742 ( 1.114 0.000 -9.297) 9.364 35.280 ( -1.091 0.000 -1.540) 1.888 35.351 ( -1.972 0.000 -3.109) 3.682 35.425 ( 3.454 0.000 -6.365) 7.241 35.462 ( -3.699 0.000 -2.675) 4.565 35.512 ( 3.261 0.000 -14.446) 14.810 35.553 ( -3.182 0.000 -0.484) 3.218 35.602 ( -3.110 0.000 4.475) 5.450 35.731 ( 2.576 0.000 0.176) 2.582 36.175 ( -13.481 0.000 -4.212) 14.124 36.509 ( -12.957 0.000 -0.405) 12.963 37.412 ( 14.856 0.000 2.275) 15.029 37.981 ( 20.693 0.000 0.116) 20.693 ======================= Grid point 52 (23/63) ======================= q-point: (-0.12 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( -25.306 0.000 8.594) 26.726 0.547 ( -23.800 0.000 11.595) 26.474 0.876 ( -41.824 0.000 4.962) 42.117 1.134 ( -5.043 0.000 1.764) 5.342 1.212 ( -4.452 0.000 3.945) 5.948 1.235 ( -1.761 0.000 1.832) 2.541 1.278 ( -1.297 0.000 1.744) 2.173 1.530 ( -4.108 0.000 2.843) 4.996 1.628 ( -2.513 0.000 9.290) 9.623 1.750 ( 2.149 0.000 1.854) 2.838 1.798 ( 0.167 0.000 0.888) 0.904 1.955 ( -1.792 0.000 -0.146) 1.798 2.117 ( -4.845 0.000 -5.751) 7.520 2.153 ( 9.826 0.000 2.052) 10.038 2.312 ( -2.386 0.000 -2.469) 3.434 2.390 ( -1.979 0.000 -0.004) 1.979 2.450 ( -8.609 0.000 1.215) 8.694 2.513 ( 10.793 0.000 -4.357) 11.639 2.525 ( 1.661 0.000 2.099) 2.677 2.616 ( -3.475 0.000 2.288) 4.161 2.686 ( -10.602 0.000 4.807) 11.641 2.746 ( 5.549 0.000 5.536) 7.838 2.853 ( 5.292 0.000 -2.221) 5.740 2.892 ( 1.044 0.000 2.083) 2.330 2.940 ( -4.621 0.000 -1.444) 4.841 3.006 ( -2.235 0.000 -1.194) 2.534 3.144 ( 5.676 0.000 -1.442) 5.856 3.161 ( 6.111 0.000 -3.259) 6.926 3.178 ( -16.462 0.000 5.221) 17.270 3.310 ( 2.901 0.000 10.835) 11.216 3.324 ( -7.776 0.000 -0.028) 7.776 3.384 ( 1.098 0.000 -7.632) 7.710 3.440 ( -11.009 0.000 1.815) 11.157 3.622 ( -7.533 0.000 -5.341) 9.234 3.707 ( -2.501 0.000 -8.889) 9.234 3.761 ( -6.222 0.000 5.994) 8.640 3.952 ( -2.686 0.000 -7.815) 8.263 3.972 ( -7.920 0.000 3.422) 8.627 4.021 ( -1.846 0.000 0.250) 1.863 4.045 ( 8.570 0.000 -2.040) 8.809 4.261 ( 3.774 0.000 0.020) 3.774 4.365 ( -0.182 0.000 -1.190) 1.204 4.473 ( 7.788 0.000 6.351) 10.049 4.567 ( 1.425 0.000 1.103) 1.802 4.702 ( 0.584 0.000 -7.332) 7.355 4.741 ( 2.131 0.000 -0.886) 2.308 4.750 ( -3.447 0.000 1.369) 3.709 4.812 ( 3.952 0.000 -4.585) 6.053 4.909 ( -2.485 0.000 1.989) 3.183 4.989 ( 1.021 0.000 -1.670) 1.957 5.085 ( -2.326 0.000 -6.137) 6.563 5.090 ( 4.244 0.000 7.360) 8.496 5.171 ( -0.989 0.000 -6.925) 6.996 5.178 ( 3.324 0.000 -0.472) 3.358 5.267 ( 6.335 0.000 -3.458) 7.217 5.352 ( -0.444 0.000 8.436) 8.448 5.420 ( 3.212 0.000 -1.205) 3.431 5.546 ( 6.911 0.000 -3.296) 7.657 5.584 ( 1.211 0.000 4.008) 4.187 5.700 ( 2.367 0.000 0.520) 2.423 5.715 ( -4.181 0.000 -6.506) 7.733 5.779 ( -1.791 0.000 -0.798) 1.961 5.903 ( 1.492 0.000 10.626) 10.730 5.952 ( -1.672 0.000 0.959) 1.928 6.079 ( -6.491 0.000 3.164) 7.222 6.234 ( -0.747 0.000 2.705) 2.806 6.355 ( 4.335 0.000 0.066) 4.336 6.552 ( 1.684 0.000 3.881) 4.231 6.620 ( -1.371 0.000 2.183) 2.578 6.659 ( -1.242 0.000 2.668) 2.943 6.747 ( -5.245 0.000 -4.109) 6.663 6.887 ( -4.032 0.000 -2.130) 4.560 6.999 ( 5.304 0.000 -0.992) 5.396 7.019 ( -0.602 0.000 0.178) 0.627 7.131 ( 3.962 0.000 3.472) 5.268 7.252 ( -1.247 0.000 3.227) 3.459 8.102 ( 10.776 0.000 -1.505) 10.880 8.243 ( 15.684 0.000 -1.117) 15.724 8.497 ( 15.197 0.000 -0.974) 15.229 8.499 ( 8.182 0.000 1.477) 8.314 8.599 ( 0.217 0.000 -3.016) 3.024 8.747 ( 1.245 0.000 0.023) 1.245 8.850 ( -3.669 0.000 1.946) 4.153 8.921 ( -5.372 0.000 2.737) 6.029 8.951 ( -0.434 0.000 2.784) 2.818 9.029 ( -4.516 0.000 -1.038) 4.633 9.069 ( -2.254 0.000 -0.346) 2.280 9.165 ( -3.501 0.000 -1.159) 3.688 9.202 ( -5.078 0.000 3.804) 6.345 9.248 ( -6.779 0.000 -0.919) 6.841 9.352 ( -3.693 0.000 0.002) 3.693 9.423 ( -1.377 0.000 -2.390) 2.758 9.656 ( -1.147 0.000 1.406) 1.815 9.881 ( 4.256 0.000 -1.417) 4.486 10.004 ( 7.465 0.000 -0.006) 7.465 10.150 ( 6.908 0.000 2.689) 7.413 10.213 ( 8.803 0.000 -3.362) 9.423 10.220 ( 3.886 0.000 -2.163) 4.448 10.444 ( 13.495 0.000 0.019) 13.495 10.458 ( 4.802 0.000 -0.035) 4.802 10.644 ( 3.829 0.000 -0.117) 3.831 10.668 ( 2.980 0.000 1.530) 3.350 10.738 ( 1.380 0.000 0.220) 1.397 10.964 ( 6.106 0.000 -0.318) 6.115 11.159 ( -14.194 0.000 1.064) 14.234 11.212 ( -10.787 0.000 -3.895) 11.468 11.382 ( -3.829 0.000 -0.254) 3.837 11.408 ( -4.484 0.000 1.351) 4.683 11.824 ( -2.916 0.000 3.250) 4.367 11.909 ( 2.151 0.000 -1.763) 2.781 12.088 ( 2.787 0.000 0.349) 2.809 12.101 ( -0.143 0.000 -0.158) 0.214 12.138 ( -0.638 0.000 -0.949) 1.144 12.154 ( -2.200 0.000 0.927) 2.387 12.172 ( -1.933 0.000 0.002) 1.933 12.283 ( -0.018 0.000 -0.661) 0.661 12.458 ( -4.422 0.000 -0.169) 4.426 12.504 ( -3.021 0.000 0.786) 3.122 12.743 ( -0.656 0.000 -0.996) 1.193 12.789 ( 1.236 0.000 0.616) 1.381 13.034 ( -2.611 0.000 1.243) 2.892 13.163 ( 2.323 0.000 -1.807) 2.943 13.331 ( -10.347 0.000 0.467) 10.358 13.653 ( -4.892 0.000 -7.157) 8.669 13.821 ( 12.020 0.000 0.091) 12.020 13.837 ( 10.086 0.000 -0.239) 10.089 14.093 ( 1.064 0.000 2.891) 3.081 14.151 ( 2.560 0.000 0.366) 2.586 14.178 ( 3.162 0.000 3.458) 4.686 14.185 ( 1.640 0.000 -0.714) 1.788 14.382 ( 0.389 0.000 -0.249) 0.462 14.427 ( -2.947 0.000 -0.116) 2.950 14.567 ( -10.233 0.000 -0.520) 10.246 14.783 ( -10.646 0.000 -7.280) 12.897 14.961 ( -11.960 0.000 -0.282) 11.964 14.965 ( -11.834 0.000 0.370) 11.840 15.109 ( -13.438 0.000 1.561) 13.528 15.274 ( 3.247 0.000 2.587) 4.152 15.307 ( -5.989 0.000 -17.077) 18.097 15.578 ( 8.565 0.000 0.425) 8.576 15.666 ( 3.224 0.000 0.528) 3.267 15.736 ( 2.898 0.000 -0.896) 3.033 15.853 ( -9.682 0.000 -7.325) 12.141 16.044 ( 4.610 0.000 -3.920) 6.051 16.187 ( -2.056 0.000 0.298) 2.078 16.222 ( -3.364 0.000 0.123) 3.366 16.318 ( -3.560 0.000 0.740) 3.636 16.708 ( -4.471 0.000 -25.471) 25.861 17.151 ( 0.355 0.000 -0.962) 1.025 17.156 ( -0.259 0.000 0.126) 0.288 17.174 ( -0.511 0.000 1.315) 1.411 17.260 ( -0.350 0.000 -0.968) 1.029 19.576 ( -0.978 0.000 3.370) 3.509 19.736 ( -2.873 0.000 -2.977) 4.137 19.829 ( -2.075 0.000 1.715) 2.692 19.876 ( -5.444 0.000 -1.340) 5.606 20.521 ( 5.088 0.000 1.951) 5.449 20.541 ( 5.381 0.000 0.373) 5.394 20.792 ( 1.933 0.000 -0.599) 2.024 20.808 ( 4.637 0.000 -1.665) 4.927 21.603 ( -7.372 0.000 -0.268) 7.376 21.605 ( -1.488 0.000 3.575) 3.872 21.784 ( -8.846 0.000 1.149) 8.921 21.846 ( -5.616 0.000 0.511) 5.639 22.958 ( 6.573 0.000 5.038) 8.282 22.982 ( 8.057 0.000 -4.279) 9.123 23.136 ( 6.397 0.000 3.405) 7.246 23.156 ( 5.328 0.000 -0.788) 5.386 26.596 ( -9.348 0.000 0.163) 9.349 26.635 ( -12.993 0.000 -0.596) 13.007 26.640 ( -12.599 0.000 0.570) 12.612 27.835 ( -23.635 0.000 -50.367) 55.637 28.933 ( 22.167 0.000 0.944) 22.187 28.959 ( 22.427 0.000 0.207) 22.428 29.173 ( 10.735 0.000 0.701) 10.758 29.289 ( 19.262 0.000 -0.602) 19.272 29.707 ( -18.578 0.000 1.412) 18.631 29.810 ( -18.669 0.000 0.700) 18.682 30.129 ( -17.482 0.000 2.710) 17.691 30.488 ( -0.951 0.000 0.714) 1.189 30.517 ( -0.938 0.000 -1.557) 1.818 30.601 ( -5.890 0.000 -1.969) 6.210 30.705 ( -7.650 0.000 -0.267) 7.655 31.239 ( -0.871 0.000 -8.614) 8.658 31.267 ( 2.036 0.000 -0.977) 2.258 31.497 ( -2.495 0.000 0.314) 2.514 31.601 ( -12.164 0.000 -37.606) 39.524 31.814 ( 7.001 0.000 -0.299) 7.008 31.887 ( 9.119 0.000 0.644) 9.142 31.915 ( 0.637 0.000 -17.126) 17.138 32.086 ( 3.760 0.000 0.683) 3.821 32.291 ( -6.519 0.000 -0.033) 6.519 32.302 ( -10.006 0.000 2.865) 10.408 32.456 ( -14.932 0.000 0.628) 14.945 32.520 ( -12.863 0.000 -2.096) 13.033 33.155 ( 5.293 0.000 -0.535) 5.320 33.236 ( 2.770 0.000 1.722) 3.261 33.705 ( 4.798 0.000 -3.428) 5.896 33.774 ( 4.369 0.000 -2.533) 5.050 33.974 ( 13.606 0.000 -22.989) 26.713 34.520 ( -0.421 0.000 -0.507) 0.659 34.568 ( 0.411 0.000 -6.180) 6.193 34.647 ( -1.407 0.000 2.587) 2.945 34.697 ( -0.892 0.000 3.284) 3.403 35.225 ( -4.145 0.000 -5.426) 6.828 35.255 ( -0.434 0.000 -0.300) 0.528 35.311 ( -1.157 0.000 1.159) 1.637 35.403 ( -1.391 0.000 0.516) 1.484 35.447 ( -0.522 0.000 0.222) 0.567 35.516 ( -1.578 0.000 0.879) 1.806 35.650 ( -5.079 0.000 16.702) 17.457 35.949 ( 2.744 0.000 5.715) 6.339 36.005 ( -5.437 0.000 4.774) 7.236 36.841 ( 33.887 0.000 79.942) 86.828 37.607 ( 8.111 0.000 -3.532) 8.846 38.264 ( 12.591 0.000 -1.544) 12.686 ======================= Grid point 53 (24/63) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -3.366 22.208 8.793) 24.121 0.916 ( 1.254 17.866 17.628) 25.130 1.041 ( 0.070 19.336 19.578) 27.517 1.118 ( -0.197 4.500 1.875) 4.879 1.181 ( -0.437 -0.889 -0.825) 1.289 1.277 ( -1.193 1.782 4.780) 5.240 1.386 ( 1.473 10.029 8.490) 13.222 1.520 ( 1.024 -4.074 7.094) 8.244 1.631 ( -6.572 -11.283 13.055) 18.464 1.754 ( -1.321 0.811 -1.101) 1.901 1.797 ( -0.713 0.398 -0.075) 0.820 1.983 ( 1.753 -2.526 1.545) 3.441 2.029 ( 1.426 -0.025 -5.350) 5.537 2.162 ( -3.480 1.889 -2.827) 4.865 2.244 ( 4.919 -2.276 4.074) 6.780 2.371 ( 1.268 -0.761 -4.644) 4.873 2.507 ( 3.671 1.154 -2.817) 4.769 2.515 ( -0.159 -3.350 -3.037) 4.525 2.586 ( 1.945 -1.659 5.271) 5.858 2.649 ( -1.015 1.256 1.533) 2.227 2.674 ( -0.840 -2.914 3.235) 4.434 2.761 ( -1.999 -4.911 -0.628) 5.340 2.804 ( -3.414 -4.447 3.151) 6.431 2.914 ( 1.785 -1.458 0.233) 2.316 2.958 ( 3.942 -2.191 -0.877) 4.594 2.994 ( -4.286 4.365 -1.501) 6.299 3.020 ( 1.470 -5.047 2.944) 6.025 3.042 ( -5.459 0.676 2.835) 6.188 3.166 ( -3.533 3.326 -2.001) 5.249 3.294 ( 0.089 -4.099 1.933) 4.533 3.342 ( 5.014 5.333 -6.229) 9.612 3.356 ( -4.871 1.583 1.077) 5.234 3.393 ( -0.973 2.158 1.497) 2.800 3.482 ( -1.461 0.825 -2.441) 2.962 3.657 ( 4.084 -0.559 2.198) 4.671 3.790 ( 0.831 -0.717 2.292) 2.542 3.882 ( -1.074 -7.262 -1.040) 7.414 3.904 ( 1.110 -0.210 4.713) 4.846 4.108 ( 0.511 11.663 1.014) 11.718 4.176 ( 2.806 3.899 -0.204) 4.808 4.240 ( 2.462 -2.319 4.703) 5.793 4.450 ( -1.132 4.240 2.459) 5.030 4.496 ( -7.437 2.052 -2.483) 8.105 4.568 ( -0.579 -0.359 -2.758) 2.841 4.639 ( 5.629 -2.044 -2.405) 6.453 4.742 ( 0.691 0.392 -4.038) 4.115 4.778 ( -0.718 -8.065 -1.800) 8.294 4.828 ( -3.518 1.026 -2.787) 4.604 4.859 ( 2.201 0.899 -1.157) 2.644 4.939 ( -3.283 6.373 -1.373) 7.299 4.994 ( -0.229 3.377 -4.133) 5.342 5.016 ( 1.679 0.914 -2.914) 3.485 5.129 ( -0.875 1.840 2.003) 2.857 5.144 ( -1.590 0.138 -7.008) 7.187 5.330 ( -0.050 -2.262 1.313) 2.616 5.391 ( -0.085 4.528 -6.948) 8.294 5.494 ( -0.037 -0.877 -5.762) 5.828 5.497 ( 0.151 3.081 -5.233) 6.074 5.590 ( 2.240 -0.781 -4.127) 4.760 5.664 ( 4.044 -0.293 -3.439) 5.317 5.762 ( 2.271 -3.985 -0.569) 4.621 5.774 ( -2.377 -8.381 0.945) 8.762 5.807 ( 1.454 -1.605 4.792) 5.259 5.995 ( -0.016 -5.249 0.633) 5.287 6.165 ( -1.305 -7.572 6.543) 10.092 6.239 ( -1.182 -3.290 3.922) 5.254 6.445 ( 1.274 -3.502 2.113) 4.284 6.505 ( -2.627 -4.026 -0.049) 4.807 6.616 ( -2.365 1.449 1.419) 3.116 6.688 ( -1.202 -1.784 1.623) 2.695 6.743 ( 4.718 0.552 0.719) 4.804 6.825 ( 2.458 -3.336 0.533) 4.178 7.023 ( -0.861 1.655 1.484) 2.384 7.120 ( 2.729 4.224 -0.836) 5.098 7.195 ( -4.744 -4.570 2.416) 7.016 7.277 ( 4.486 -5.984 4.015) 8.489 8.279 ( -0.976 5.389 1.114) 5.589 8.407 ( 0.920 1.638 -2.048) 2.779 8.530 ( 0.085 -4.236 0.988) 4.351 8.570 ( 1.017 -6.373 0.265) 6.459 8.673 ( 5.120 5.684 0.484) 7.665 8.800 ( -4.876 0.466 -1.441) 5.106 8.814 ( -2.548 0.736 1.573) 3.084 8.834 ( 1.621 3.402 0.569) 3.811 8.927 ( -0.955 1.230 -1.059) 1.883 8.964 ( -1.933 -4.252 -0.075) 4.671 9.020 ( 1.707 0.982 0.027) 1.969 9.103 ( -0.138 -1.591 -1.477) 2.175 9.128 ( -3.198 -2.290 2.354) 4.584 9.151 ( 0.186 -2.912 -0.154) 2.922 9.290 ( -0.045 0.186 -2.867) 2.873 9.369 ( 2.016 -2.760 -2.233) 4.082 9.698 ( -0.393 2.998 3.275) 4.457 9.878 ( 1.609 -5.256 0.870) 5.565 10.090 ( 1.121 2.408 -2.120) 3.398 10.187 ( -0.715 -1.481 -5.725) 5.957 10.278 ( -2.349 5.823 1.787) 6.528 10.346 ( 1.867 3.286 0.130) 3.781 10.483 ( 0.983 -2.679 0.538) 2.904 10.538 ( -0.336 -4.506 -0.308) 4.529 10.650 ( -1.552 0.825 0.468) 1.819 10.722 ( -0.069 4.074 -1.111) 4.223 10.777 ( 0.291 -1.550 1.851) 2.431 10.959 ( 0.506 -3.245 -2.441) 4.092 11.049 ( 0.579 3.105 0.623) 3.220 11.060 ( -0.780 4.716 -0.217) 4.785 11.272 ( 0.940 -6.425 0.919) 6.558 11.332 ( -1.367 -4.678 -0.739) 4.929 11.818 ( -2.813 2.462 2.618) 4.564 11.943 ( 3.338 -1.929 -0.489) 3.886 12.015 ( -2.921 -0.330 -0.091) 2.941 12.079 ( -0.054 -2.325 -1.497) 2.766 12.176 ( -0.147 2.866 0.875) 3.000 12.213 ( 0.081 3.662 2.984) 4.724 12.263 ( -0.002 6.821 -1.262) 6.937 12.367 ( 1.303 5.380 -0.542) 5.562 12.487 ( -1.156 3.317 -0.602) 3.564 12.578 ( 1.368 5.682 -3.903) 7.028 12.715 ( -1.542 -4.857 1.295) 5.258 12.762 ( 1.682 -3.835 0.202) 4.192 13.046 ( -0.066 3.233 0.600) 3.289 13.136 ( -0.637 -2.062 -1.452) 2.601 13.157 ( 0.359 -1.155 0.636) 1.366 13.201 ( -0.683 -2.805 0.176) 2.892 14.042 ( 1.491 8.443 -0.143) 8.575 14.082 ( -0.240 2.737 -1.266) 3.025 14.128 ( -3.040 0.436 0.781) 3.169 14.171 ( 3.154 1.486 -0.414) 3.511 14.206 ( -2.297 2.346 1.294) 3.529 14.298 ( -3.309 1.751 -2.437) 4.467 14.395 ( 5.677 -1.557 0.837) 5.946 14.404 ( -1.679 -1.508 0.884) 2.424 14.462 ( -0.480 4.552 1.478) 4.810 14.788 ( -1.716 3.901 -8.002) 9.066 14.815 ( 4.138 -5.765 0.143) 7.098 14.889 ( 3.080 1.805 -1.438) 3.848 14.939 ( -6.249 2.022 0.555) 6.591 15.174 ( 8.311 19.649 -14.633) 25.870 15.348 ( 0.013 8.012 -2.702) 8.456 15.636 ( -2.365 -1.136 -1.968) 3.280 15.717 ( 2.187 0.664 0.391) 2.319 15.724 ( -0.003 2.096 -1.500) 2.577 15.769 ( -0.040 -0.421 0.331) 0.537 16.003 ( 0.189 -3.842 -5.798) 6.958 16.195 ( 0.460 0.739 1.135) 1.430 16.202 ( -1.167 1.270 0.767) 1.888 16.236 ( -4.516 -1.161 -0.880) 4.745 16.284 ( 0.381 -2.063 0.151) 2.103 17.159 ( -0.243 1.193 -0.341) 1.264 17.161 ( 0.513 0.666 -0.091) 0.846 17.198 ( -0.252 0.591 1.557) 1.685 17.250 ( 0.537 -1.236 0.197) 1.362 19.558 ( -1.145 0.744 0.969) 1.675 19.675 ( 1.087 -1.012 -3.672) 3.961 19.787 ( -0.698 -2.787 1.475) 3.229 19.811 ( -0.372 -2.175 -0.022) 2.207 20.578 ( -1.498 0.534 1.193) 1.988 20.598 ( 0.112 -0.244 1.029) 1.064 20.815 ( 0.190 0.309 -0.425) 0.559 20.845 ( 1.040 -0.450 -1.294) 1.720 21.571 ( 1.324 1.332 1.200) 2.229 21.649 ( 2.712 -2.026 0.519) 3.424 21.714 ( -2.296 -1.096 2.378) 3.482 21.773 ( -0.794 -1.771 -0.139) 1.946 22.945 ( -1.386 -1.303 -0.780) 2.055 23.000 ( 1.754 -1.960 -3.754) 4.584 23.218 ( -1.322 -0.161 2.005) 2.407 23.220 ( -0.771 -0.189 1.386) 1.597 26.504 ( 0.059 0.041 -0.673) 0.676 26.507 ( -1.025 0.059 -0.895) 1.362 26.553 ( 1.543 0.436 0.477) 1.673 26.558 ( -0.207 0.075 0.569) 0.610 29.236 ( -1.998 0.729 1.829) 2.805 29.250 ( 0.444 -0.058 1.562) 1.625 29.329 ( 3.984 2.016 -0.170) 4.468 29.463 ( 0.744 -2.396 -1.462) 2.904 29.524 ( -1.233 8.432 2.117) 8.781 29.904 ( -2.338 -5.189 6.076) 8.325 30.379 ( -6.590 18.445 -17.097) 25.999 30.459 ( 2.645 0.350 0.649) 2.746 30.508 ( 3.562 3.653 -4.347) 6.703 30.530 ( -0.419 2.129 -2.920) 3.638 30.660 ( 3.785 4.439 -2.574) 6.377 30.790 ( -2.792 -1.202 -1.888) 3.578 31.300 ( -1.815 3.367 0.569) 3.867 31.465 ( -0.678 -2.958 2.660) 4.035 31.735 ( 0.382 37.875 -33.969) 50.878 31.958 ( 1.774 1.915 0.354) 2.634 31.982 ( -1.333 1.273 -0.297) 1.867 32.045 ( -0.159 -1.797 0.777) 1.964 32.096 ( 8.087 2.344 -4.428) 9.513 32.227 ( -7.765 0.145 0.376) 7.776 32.237 ( -4.401 -0.679 0.069) 4.453 32.257 ( 1.761 -0.405 -1.813) 2.560 32.438 ( 4.023 10.792 -11.830) 16.510 33.063 ( -0.844 -5.631 -21.323) 22.070 33.313 ( -0.453 2.148 0.757) 2.322 33.526 ( -1.663 -6.511 -27.706) 28.509 33.707 ( -0.029 1.745 -7.723) 7.917 33.775 ( -0.208 -1.488 -6.288) 6.465 34.614 ( 3.772 0.259 3.784) 5.349 34.630 ( -0.137 -0.467 1.320) 1.406 34.693 ( 4.827 0.693 0.079) 4.877 34.716 ( -0.806 -0.328 2.818) 2.949 35.235 ( 1.634 2.374 0.223) 2.891 35.280 ( 0.965 2.299 -0.022) 2.494 35.329 ( 1.358 -1.322 2.925) 3.485 35.410 ( -0.777 -2.693 -0.408) 2.832 35.431 ( 1.180 0.131 4.003) 4.175 35.482 ( 1.257 -3.064 4.213) 5.359 35.840 ( 0.211 2.394 -1.043) 2.620 35.905 ( -1.152 -1.163 -4.029) 4.349 36.255 ( -1.687 11.001 36.705) 38.355 37.242 ( -3.315 -39.007 36.602) 53.594 37.921 ( -1.069 0.174 -1.203) 1.619 38.271 ( 0.291 -8.532 -3.574) 9.255 ======================= Grid point 54 (25/63) ======================= q-point: ( 0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 9.295 9.030 13.403) 18.644 1.066 ( 4.540 6.834 2.524) 8.584 1.137 ( 4.524 3.325 -0.989) 5.701 1.186 ( 2.612 -1.781 -0.161) 3.166 1.300 ( -2.354 4.086 10.371) 11.393 1.447 ( 5.750 3.515 9.098) 11.322 1.557 ( -0.925 -4.970 3.746) 6.292 1.660 ( 7.364 5.515 10.718) 14.125 1.713 ( -1.656 2.152 -0.180) 2.721 1.735 ( -1.278 -6.207 7.338) 9.696 1.835 ( 5.018 0.413 4.677) 6.872 1.918 ( 2.422 6.175 -4.535) 8.035 2.098 ( 5.445 0.080 4.734) 7.216 2.152 ( 1.478 -0.468 1.742) 2.332 2.279 ( -0.205 -1.973 -7.564) 7.820 2.327 ( -1.140 -7.109 0.088) 7.201 2.463 ( -2.813 -2.529 -0.096) 3.784 2.534 ( -3.923 4.797 -1.762) 6.442 2.610 ( 4.648 3.040 0.398) 5.568 2.682 ( 1.724 3.269 1.038) 3.839 2.736 ( -3.665 0.219 3.765) 5.259 2.754 ( -1.634 -2.336 0.743) 2.946 2.801 ( 5.301 -1.759 3.390) 6.533 2.912 ( 7.222 -0.596 2.700) 7.733 2.931 ( -4.900 -1.905 4.781) 7.106 3.017 ( -0.784 -3.886 -5.918) 7.123 3.057 ( 5.393 -0.005 0.681) 5.436 3.120 ( 3.799 0.755 0.509) 3.907 3.196 ( 6.602 -1.453 0.665) 6.792 3.230 ( -0.555 -2.390 -0.941) 2.628 3.312 ( 1.069 5.458 -0.890) 5.632 3.421 ( 5.413 3.816 -1.156) 6.723 3.451 ( 4.808 -1.937 1.347) 5.355 3.515 ( 8.346 -0.701 1.069) 8.443 3.763 ( 3.930 -3.594 2.076) 5.716 3.848 ( 2.835 -7.648 -1.580) 8.308 3.937 ( 5.848 4.161 3.667) 8.060 4.023 ( 2.099 1.472 1.112) 2.795 4.107 ( -9.642 4.508 -2.060) 10.842 4.112 ( 1.274 11.628 -2.153) 11.894 4.296 ( 0.852 -3.386 4.367) 5.591 4.395 ( -1.370 0.685 1.619) 2.229 4.462 ( -4.253 0.578 1.219) 4.462 4.524 ( 2.021 0.457 -2.744) 3.438 4.593 ( -7.404 0.473 -9.258) 11.864 4.630 ( -3.372 -1.153 -5.136) 6.251 4.687 ( -2.146 -1.722 -7.520) 8.008 4.736 ( 1.763 -0.981 1.881) 2.759 4.834 ( -1.995 8.123 -1.962) 8.591 4.862 ( -2.662 4.188 -1.554) 5.200 4.967 ( 0.038 -0.666 0.509) 0.839 5.058 ( -1.910 -2.454 -2.397) 3.927 5.085 ( 2.171 1.812 0.982) 2.993 5.151 ( 3.046 6.957 0.067) 7.595 5.276 ( -2.336 3.176 -3.627) 5.357 5.369 ( 1.007 -1.979 -1.780) 2.846 5.402 ( -1.061 3.769 -4.215) 5.753 5.448 ( -1.217 -3.497 -2.928) 4.720 5.582 ( 4.245 2.224 -3.951) 6.211 5.679 ( 6.168 3.514 -5.630) 9.061 5.769 ( -3.158 -11.999 2.670) 12.692 5.806 ( 2.204 -7.584 0.385) 7.907 5.862 ( -2.391 -7.930 2.925) 8.784 5.991 ( -1.671 -5.985 -0.082) 6.214 6.227 ( 1.251 -2.442 5.679) 6.307 6.268 ( 0.216 -2.665 2.523) 3.676 6.407 ( -4.514 -2.497 1.836) 5.475 6.444 ( -2.790 -1.624 -1.054) 3.396 6.603 ( -1.437 1.676 1.426) 2.628 6.715 ( 0.086 -3.622 3.886) 5.313 6.830 ( 5.048 -0.012 -1.662) 5.315 6.901 ( 4.593 -2.978 -0.743) 5.524 7.008 ( -2.587 0.985 0.299) 2.784 7.100 ( -5.373 2.471 0.758) 5.963 7.148 ( -1.515 -0.803 -0.506) 1.787 7.345 ( -1.030 -5.376 3.366) 6.426 8.162 ( -10.803 5.215 0.455) 12.005 8.225 ( -15.945 3.751 -2.017) 16.504 8.397 ( -14.887 -4.586 0.517) 15.586 8.459 ( -10.802 -6.654 -0.028) 12.688 8.735 ( 1.500 2.621 -4.208) 5.179 8.766 ( 0.924 2.500 1.814) 3.224 8.838 ( -1.589 3.575 1.823) 4.316 8.856 ( 4.544 1.961 0.979) 5.045 8.946 ( 2.512 0.189 1.084) 2.742 9.023 ( 5.054 -3.093 -0.214) 5.929 9.060 ( 3.566 -0.914 -0.816) 3.770 9.104 ( 2.335 -2.003 -1.906) 3.619 9.159 ( 2.164 -1.093 3.701) 4.424 9.213 ( 6.972 -2.439 0.242) 7.390 9.300 ( 5.163 1.162 -2.637) 5.913 9.396 ( 3.817 -2.847 -2.665) 5.457 9.750 ( 1.014 2.983 3.686) 4.849 9.896 ( -1.720 -3.143 0.787) 3.669 10.024 ( -5.520 -0.508 -1.270) 5.687 10.079 ( -2.589 -2.194 -5.015) 6.055 10.172 ( -10.170 6.244 0.621) 11.950 10.292 ( -8.440 0.326 0.616) 8.469 10.420 ( -9.846 -2.518 -0.011) 10.162 10.431 ( -6.624 -1.668 -0.751) 6.872 10.594 ( -5.081 2.173 0.917) 5.602 10.671 ( -2.733 5.437 -1.430) 6.251 10.784 ( -3.628 -4.964 2.404) 6.601 10.891 ( -3.591 -3.064 -1.819) 5.059 11.160 ( 11.793 2.938 -0.969) 12.192 11.210 ( 12.365 -0.466 0.210) 12.375 11.331 ( 3.972 -2.910 -0.186) 4.927 11.366 ( 6.111 -3.972 0.744) 7.326 11.824 ( 1.265 4.176 1.446) 4.597 11.974 ( -1.570 0.936 0.982) 2.075 12.032 ( 6.087 -3.318 -0.863) 6.986 12.085 ( 0.224 -2.121 0.162) 2.139 12.155 ( -3.571 3.793 -0.177) 5.212 12.193 ( -2.820 3.841 0.491) 4.790 12.255 ( 0.442 3.224 1.080) 3.429 12.358 ( -0.742 2.910 -1.217) 3.241 12.482 ( 0.700 4.133 0.209) 4.197 12.557 ( 1.999 6.090 -1.308) 6.542 12.706 ( -0.711 -4.962 0.551) 5.043 12.782 ( 0.350 -2.781 0.001) 2.803 13.071 ( 2.347 4.257 0.696) 4.911 13.143 ( 2.242 0.065 -1.425) 2.657 13.260 ( 8.592 -4.872 -0.020) 9.877 13.316 ( 11.600 -5.434 -0.732) 12.831 13.937 ( -10.582 6.158 -0.397) 12.250 13.948 ( -9.344 8.193 -0.257) 12.430 14.076 ( -4.911 -1.677 1.003) 5.286 14.125 ( -5.806 -0.984 -0.427) 5.905 14.198 ( 1.371 4.332 2.064) 4.990 14.281 ( 2.176 6.399 -1.638) 6.955 14.438 ( 3.854 0.777 -0.616) 3.980 14.483 ( 0.367 2.743 1.576) 3.185 14.594 ( 9.184 3.311 1.519) 9.881 14.827 ( 14.013 4.883 -5.893) 15.967 14.949 ( 7.626 -0.581 -0.408) 7.659 14.962 ( 10.084 -1.773 -0.377) 10.246 15.028 ( 13.277 3.177 -1.372) 13.721 15.220 ( 12.988 7.664 -8.593) 17.358 15.343 ( -4.968 -4.381 5.702) 8.741 15.532 ( -6.207 -0.912 -2.234) 6.660 15.676 ( -1.723 1.257 0.132) 2.137 15.722 ( -0.429 -0.110 -1.121) 1.205 15.782 ( -0.840 -2.476 1.546) 3.037 15.889 ( -3.069 -5.306 -6.379) 8.846 16.224 ( 2.425 0.730 0.472) 2.576 16.255 ( 4.098 1.092 -0.708) 4.300 16.268 ( 4.829 -0.855 1.370) 5.092 16.316 ( 3.139 -1.370 -1.662) 3.807 17.149 ( -0.296 1.435 -0.321) 1.500 17.168 ( 0.307 0.501 0.078) 0.593 17.209 ( -0.515 0.487 1.165) 1.364 17.260 ( 0.349 -1.268 -0.102) 1.319 19.573 ( 2.111 1.233 0.836) 2.583 19.676 ( 3.734 -1.830 -3.428) 5.390 19.809 ( 1.688 -1.770 1.040) 2.658 19.829 ( 2.385 -2.054 0.140) 3.151 20.516 ( -6.905 1.207 1.042) 7.086 20.568 ( -5.499 -0.960 1.616) 5.811 20.766 ( -4.287 1.060 -1.569) 4.687 20.815 ( -2.825 -0.961 -0.885) 3.112 21.680 ( 8.243 1.293 1.557) 8.488 21.712 ( 6.119 1.354 -1.853) 6.535 21.771 ( 5.338 -2.497 2.145) 6.272 21.804 ( 4.658 -1.697 -0.004) 4.958 22.876 ( -5.046 0.190 -1.163) 5.182 22.948 ( -2.890 -2.568 -2.433) 4.568 23.141 ( -9.484 -0.230 1.967) 9.689 23.161 ( -7.363 -1.637 1.900) 7.778 26.597 ( 10.663 0.458 -0.000) 10.672 26.609 ( 12.650 0.395 -0.157) 12.657 26.696 ( 14.464 0.405 0.992) 14.504 26.817 ( 25.245 -6.264 -7.480) 27.065 28.980 ( -21.543 4.901 0.063) 22.094 29.104 ( -20.984 5.777 0.062) 21.765 29.179 ( -14.451 -2.879 1.540) 14.815 29.276 ( -15.340 -3.937 -0.381) 15.842 29.801 ( 18.286 9.259 2.164) 20.610 30.040 ( 11.272 12.339 -3.958) 17.175 30.266 ( 6.300 4.146 3.398) 8.272 30.488 ( 2.583 -2.435 -0.165) 3.553 30.526 ( 2.904 1.317 -2.032) 3.781 30.559 ( 5.382 0.660 -1.534) 5.636 30.716 ( 5.011 1.840 -0.766) 5.393 30.820 ( 8.344 -1.308 -5.602) 10.135 31.282 ( -1.018 4.785 -0.069) 4.892 31.463 ( 0.702 8.013 -1.870) 8.258 31.581 ( -0.232 4.789 -1.021) 4.902 31.850 ( -7.965 1.731 0.435) 8.162 31.868 ( -7.953 1.749 -1.189) 8.230 31.990 ( -7.111 -2.163 -0.922) 7.490 32.000 ( -8.232 -1.205 -0.520) 8.336 32.268 ( 7.421 -3.153 -5.155) 9.570 32.323 ( 9.965 -1.492 -8.919) 13.456 32.349 ( 10.438 -1.505 0.952) 10.589 32.554 ( 12.609 0.816 -1.810) 12.764 32.674 ( 4.158 -5.400 -22.849) 23.843 33.319 ( -2.630 0.073 3.517) 4.392 33.341 ( -2.879 -0.895 -1.628) 3.426 33.600 ( -3.065 0.948 -4.834) 5.801 33.660 ( -4.147 -1.557 -6.111) 7.548 34.603 ( -2.877 1.334 -0.147) 3.174 34.672 ( -1.597 -1.936 0.700) 2.605 34.745 ( 2.484 1.419 1.398) 3.184 34.778 ( 3.601 -0.335 1.451) 3.897 35.257 ( 2.011 3.190 -2.019) 4.278 35.307 ( 2.286 1.880 -0.195) 2.966 35.405 ( 3.499 -2.982 0.642) 4.642 35.417 ( 2.561 -2.332 -0.328) 3.479 35.537 ( 3.084 0.773 6.562) 7.292 35.574 ( 1.754 -1.703 7.328) 7.725 35.802 ( 0.901 0.517 -5.610) 5.706 35.835 ( 1.351 -0.724 -6.745) 6.917 36.646 ( -4.614 11.660 31.728) 34.116 37.310 ( -12.883 -11.304 6.900) 18.476 37.725 ( -20.654 -1.146 6.170) 21.586 38.103 ( -12.844 -10.037 -6.093) 17.402 ======================= Grid point 55 (26/63) ======================= q-point: ( 0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 3.795 3.600 3.594) 6.347 1.171 ( 3.673 1.896 -0.808) 4.212 1.190 ( 3.113 -2.863 1.171) 4.388 1.266 ( 4.012 -1.897 0.090) 4.438 1.495 ( 7.174 2.613 13.704) 15.688 1.570 ( 1.002 0.497 -7.486) 7.569 1.604 ( 2.975 5.246 3.470) 6.957 1.699 ( 3.566 5.233 -3.001) 7.008 1.746 ( 4.072 1.511 6.079) 7.472 1.839 ( 0.711 -4.397 1.980) 4.875 1.842 ( 4.705 -4.370 0.894) 6.483 2.019 ( 1.489 0.709 1.163) 2.018 2.135 ( -5.476 -8.415 -8.457) 13.127 2.150 ( -0.288 2.768 -3.106) 4.171 2.279 ( -1.679 5.713 -5.620) 8.188 2.324 ( 4.779 -1.421 3.955) 6.364 2.487 ( 5.049 -0.519 5.529) 7.505 2.514 ( 0.203 -0.283 4.114) 4.129 2.639 ( -2.629 -1.113 -2.840) 4.027 2.688 ( -0.354 -1.250 4.931) 5.100 2.753 ( 1.355 -3.416 5.805) 6.870 2.824 ( 3.308 -0.241 -1.223) 3.535 2.863 ( 0.693 -2.620 3.020) 4.058 2.955 ( 1.359 -1.887 -0.418) 2.363 3.074 ( 6.204 3.415 3.342) 7.831 3.094 ( 9.926 2.299 3.215) 10.684 3.118 ( 9.166 1.992 -1.749) 9.542 3.246 ( 10.716 4.615 -2.176) 11.869 3.298 ( 10.422 -3.689 2.723) 11.386 3.314 ( 1.635 6.592 2.547) 7.253 3.400 ( 10.785 -1.025 -2.331) 11.081 3.505 ( 5.183 -1.821 -0.024) 5.494 3.587 ( 5.853 1.964 -0.187) 6.176 3.682 ( 7.161 1.299 1.475) 7.426 3.780 ( -0.418 0.465 -2.428) 2.507 3.875 ( -0.984 2.290 -4.932) 5.526 3.933 ( -1.501 -6.702 -1.763) 7.091 3.981 ( -8.972 8.728 5.118) 13.523 4.007 ( 0.292 2.084 -3.104) 3.750 4.142 ( 1.616 4.635 -3.413) 5.979 4.265 ( -4.023 -4.231 0.068) 5.839 4.338 ( -4.883 -3.687 -6.457) 8.895 4.404 ( -1.327 2.312 1.164) 2.909 4.481 ( 0.936 1.880 7.706) 7.987 4.515 ( -2.616 -0.245 -6.710) 7.206 4.595 ( 6.129 0.284 0.260) 6.141 4.632 ( 1.862 3.574 -0.461) 4.056 4.753 ( -2.210 2.117 1.267) 3.312 4.823 ( 0.566 6.686 1.743) 6.933 4.854 ( -1.139 1.791 3.654) 4.225 4.957 ( -0.330 -0.445 -1.865) 1.945 5.018 ( -1.915 -0.497 3.670) 4.169 5.099 ( -3.669 4.161 -2.404) 6.046 5.172 ( 1.712 -1.629 -0.025) 2.363 5.188 ( -3.320 -1.416 -1.670) 3.977 5.274 ( -2.728 5.356 -3.611) 7.012 5.377 ( -1.079 -5.478 -1.789) 5.863 5.431 ( 0.741 -4.201 1.309) 4.462 5.616 ( -0.666 -3.014 -2.619) 4.048 5.727 ( -8.837 -2.552 -0.281) 9.202 5.735 ( 4.229 -1.428 -0.420) 4.483 5.777 ( 2.126 -7.748 -2.210) 8.333 5.832 ( 2.230 -7.644 -3.148) 8.562 5.965 ( -1.981 -6.134 1.182) 6.554 6.271 ( -0.107 1.310 1.230) 1.801 6.335 ( 4.711 2.232 1.349) 5.385 6.397 ( -0.191 0.933 -1.212) 1.542 6.469 ( 3.974 -1.985 4.609) 6.402 6.609 ( 1.159 2.529 1.594) 3.206 6.777 ( 1.479 -4.533 3.560) 5.951 6.878 ( 3.811 0.088 -2.256) 4.429 6.931 ( -4.571 1.073 -2.282) 5.221 6.945 ( 0.917 -1.328 -0.879) 1.838 7.003 ( -3.732 -1.560 -0.853) 4.134 7.100 ( -2.426 3.628 -1.456) 4.601 7.333 ( -4.131 -4.854 1.659) 6.586 7.887 ( -17.209 4.519 -1.774) 17.881 7.984 ( -10.671 5.824 -0.641) 12.174 8.106 ( -17.162 -4.743 -0.585) 17.815 8.261 ( -11.686 -6.708 0.210) 13.476 8.733 ( 3.599 3.194 -3.403) 5.894 8.781 ( 0.445 1.248 -0.053) 1.326 8.836 ( -1.180 2.382 2.585) 3.708 8.929 ( 1.393 -0.904 1.348) 2.138 9.013 ( 2.540 0.624 2.134) 3.376 9.087 ( 3.188 -1.170 -0.974) 3.533 9.116 ( 2.858 -2.305 -0.728) 3.743 9.129 ( 2.558 -0.273 0.657) 2.656 9.296 ( 6.913 -1.491 3.530) 7.904 9.334 ( 4.842 -1.700 0.208) 5.136 9.379 ( 6.076 0.308 -1.454) 6.255 9.431 ( 4.309 -2.450 -1.120) 5.082 9.774 ( -4.412 0.572 0.329) 4.461 9.800 ( -8.173 -0.151 -0.591) 8.196 9.905 ( -6.980 -1.747 -0.360) 7.205 9.987 ( -4.495 -3.417 -2.156) 6.043 10.009 ( -6.685 6.282 0.939) 9.222 10.125 ( -9.353 2.479 0.243) 9.679 10.270 ( -7.695 -2.253 -0.751) 8.054 10.279 ( -7.353 -1.251 -0.398) 7.469 10.530 ( -3.925 1.196 2.065) 4.593 10.616 ( -1.656 4.391 -0.959) 4.790 10.719 ( -5.498 -4.912 1.506) 7.525 10.801 ( -4.766 -2.033 -1.351) 5.355 11.366 ( 12.180 -0.152 -0.564) 12.194 11.391 ( 6.642 -2.131 -0.040) 6.976 11.440 ( 8.732 0.708 0.249) 8.764 11.503 ( 6.778 -1.427 1.356) 7.058 11.890 ( 3.929 3.444 1.158) 5.352 11.962 ( -0.825 2.835 0.094) 2.954 12.062 ( -2.796 4.287 1.061) 5.226 12.068 ( -2.612 -0.854 -0.737) 2.846 12.129 ( 2.758 -1.674 -1.152) 3.426 12.172 ( 0.529 0.737 0.878) 1.263 12.276 ( 1.981 -0.946 -0.804) 2.338 12.336 ( -0.012 -2.850 -1.545) 3.242 12.522 ( 2.253 4.513 2.061) 5.449 12.597 ( 2.536 2.760 -0.287) 3.759 12.708 ( -0.237 -3.242 0.648) 3.315 12.766 ( -1.755 -3.123 -0.931) 3.702 13.139 ( 4.542 6.239 0.321) 7.723 13.185 ( 4.136 4.364 -0.558) 6.038 13.416 ( 7.125 -7.605 0.308) 10.426 13.482 ( 6.341 -7.714 -0.281) 9.989 13.788 ( -4.188 8.581 -0.487) 9.561 13.824 ( -2.440 9.958 0.056) 10.253 13.994 ( -4.554 -2.212 0.334) 5.073 14.068 ( -0.146 -4.321 0.396) 4.341 14.218 ( -2.549 8.296 0.526) 8.694 14.293 ( -0.898 7.969 1.094) 8.094 14.436 ( -1.944 0.777 -1.749) 2.728 14.486 ( -1.224 3.442 0.392) 3.675 14.773 ( 8.533 3.280 2.246) 9.414 14.972 ( 7.840 2.735 -3.677) 9.081 15.101 ( 5.274 -3.175 1.826) 6.421 15.167 ( 12.008 -1.130 0.558) 12.074 15.249 ( 9.139 -1.115 0.613) 9.227 15.294 ( -2.076 -2.527 -0.355) 3.290 15.340 ( 5.929 -1.704 -0.481) 6.187 15.410 ( -0.523 -3.231 -2.677) 4.228 15.715 ( 5.180 0.868 -0.509) 5.277 15.741 ( 5.249 0.486 -1.458) 5.469 15.759 ( -1.793 -1.741 -4.139) 4.836 15.792 ( -1.409 -1.949 2.371) 3.377 16.263 ( 0.820 0.678 0.995) 1.456 16.308 ( 0.301 -1.157 -1.956) 2.293 16.322 ( 3.888 1.278 -0.794) 4.169 16.370 ( 1.461 -0.712 2.635) 3.096 17.145 ( 0.260 1.407 -0.287) 1.459 17.177 ( 0.714 0.012 0.276) 0.766 17.212 ( -0.422 0.544 0.688) 0.974 17.257 ( 0.039 -1.159 -0.913) 1.476 19.658 ( 6.274 0.254 1.168) 6.387 19.711 ( 5.217 -1.929 -2.897) 6.271 19.891 ( 6.287 -0.494 0.727) 6.349 19.899 ( 5.566 -0.631 0.428) 5.618 20.385 ( -9.663 1.516 1.494) 9.895 20.455 ( -9.655 -1.402 1.595) 9.886 20.648 ( -6.644 1.883 -1.361) 7.039 20.727 ( -5.825 -1.474 -1.020) 6.094 21.824 ( 9.144 1.553 -1.139) 9.344 21.845 ( 10.039 0.898 -1.645) 10.212 21.922 ( 9.938 -0.880 1.270) 10.057 21.950 ( 10.092 -1.538 1.218) 10.281 22.751 ( -7.561 1.017 -1.024) 7.697 22.851 ( -6.010 -3.176 -0.911) 6.858 22.969 ( -12.236 0.078 1.574) 12.337 23.023 ( -10.424 -2.347 0.999) 10.732 26.859 ( 18.156 2.211 1.200) 18.330 26.891 ( 19.221 2.453 -0.923) 19.399 27.064 ( 23.103 -3.902 5.241) 24.009 27.139 ( 23.984 -6.013 -8.274) 26.074 28.594 ( -22.615 5.643 0.173) 23.309 28.691 ( -24.101 7.088 -0.523) 25.128 28.886 ( -20.535 -5.404 0.463) 21.239 28.945 ( -21.803 -4.414 -0.948) 22.266 30.104 ( 14.482 7.927 0.079) 16.510 30.231 ( 11.651 10.889 1.744) 16.042 30.416 ( 4.975 -1.974 2.235) 5.801 30.553 ( 2.847 -2.748 0.787) 4.034 30.582 ( 7.474 2.799 -2.433) 8.343 30.678 ( 9.389 1.123 0.359) 9.463 30.795 ( 5.414 -1.780 -1.765) 5.966 30.916 ( 8.789 -0.600 -2.240) 9.090 31.241 ( -4.445 5.333 0.280) 6.948 31.429 ( -6.263 6.432 0.338) 8.984 31.526 ( -8.498 -4.075 4.585) 10.481 31.676 ( -11.014 -1.867 -3.816) 11.805 31.777 ( 0.544 2.660 -0.640) 2.790 31.876 ( -2.432 1.100 -3.013) 4.025 31.968 ( 1.865 -5.147 4.584) 7.140 32.079 ( 1.867 -5.989 -13.800) 15.159 32.529 ( 10.933 0.994 3.013) 11.384 32.575 ( 11.311 -1.013 2.753) 11.686 32.733 ( 12.798 0.901 -4.161) 13.488 32.763 ( 13.100 -0.376 -1.168) 13.157 33.286 ( -4.211 0.061 1.158) 4.367 33.300 ( -3.866 -0.355 2.226) 4.475 33.494 ( -6.116 -0.446 -2.322) 6.557 33.500 ( -5.969 -0.443 -1.688) 6.219 34.541 ( -2.971 1.585 -1.153) 3.559 34.612 ( -3.160 -1.400 -2.076) 4.032 34.813 ( 3.287 0.906 0.534) 3.451 34.851 ( 2.381 -0.677 1.551) 2.921 35.259 ( 1.095 3.773 -1.612) 4.247 35.346 ( 2.544 1.612 -0.541) 3.060 35.439 ( 2.393 -3.683 -1.494) 4.639 35.477 ( 2.845 -3.628 -0.488) 4.636 35.696 ( 4.075 1.268 8.945) 9.911 35.705 ( 3.654 -0.324 -1.250) 3.876 35.770 ( 3.547 0.469 1.150) 3.758 35.798 ( 5.123 -0.607 -7.745) 9.306 36.865 ( -8.030 7.376 21.155) 23.799 37.057 ( -11.378 4.501 -11.651) 16.896 37.470 ( -23.192 -4.971 14.670) 27.889 37.697 ( -20.357 -9.353 -10.905) 24.916 ======================= Grid point 56 (27/63) ======================= q-point: ( 0.38 0.25 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 1.883 1.262 -0.519) 2.326 1.187 ( 1.103 -0.342 -0.897) 1.463 1.243 ( 2.117 0.615 -0.811) 2.349 1.286 ( -0.591 -0.898 -0.804) 1.343 1.503 ( 3.639 1.004 -3.622) 5.232 1.643 ( 4.357 -2.381 -1.142) 5.095 1.673 ( 0.932 2.905 -2.347) 3.849 1.784 ( -1.269 -0.214 -1.127) 1.711 1.808 ( 4.705 -2.249 3.634) 6.356 1.885 ( -0.937 -3.950 -1.946) 4.502 1.896 ( -3.965 -3.071 1.920) 5.370 2.000 ( -3.694 -2.089 -1.203) 4.411 2.107 ( 10.127 3.285 2.830) 11.016 2.147 ( 4.565 6.204 3.324) 8.389 2.305 ( 6.816 0.649 -2.770) 7.386 2.331 ( -5.131 3.986 1.829) 6.750 2.517 ( -7.102 -1.862 0.129) 7.343 2.538 ( 3.136 2.769 3.059) 5.183 2.615 ( -5.047 -5.841 -3.768) 8.590 2.716 ( 1.937 2.084 2.856) 4.032 2.815 ( 7.717 3.499 -4.094) 9.410 2.891 ( 4.444 1.641 5.127) 6.981 3.009 ( 10.064 -5.220 1.125) 11.393 3.085 ( 9.128 -4.314 -2.193) 10.332 3.155 ( -6.815 5.673 -0.832) 8.907 3.227 ( 7.486 -1.649 1.056) 7.738 3.272 ( 7.898 5.397 -2.987) 10.021 3.348 ( 1.661 -1.550 -0.834) 2.420 3.395 ( 6.041 -1.899 2.263) 6.724 3.493 ( 4.433 -4.232 -2.578) 6.649 3.524 ( 0.392 -0.144 -2.203) 2.242 3.592 ( 6.323 7.125 -3.111) 10.021 3.614 ( 2.918 -0.217 -0.068) 2.927 3.699 ( 1.953 0.238 -5.459) 5.803 3.783 ( 3.578 1.849 -1.822) 4.421 3.831 ( 3.468 -2.328 2.330) 4.782 3.868 ( -0.860 -1.672 -0.316) 1.907 3.942 ( 0.634 1.143 -2.288) 2.635 4.006 ( -2.158 7.966 7.886) 11.416 4.095 ( -2.645 -2.007 3.990) 5.191 4.206 ( -3.897 5.892 -1.693) 7.264 4.270 ( 1.047 -3.744 -0.866) 3.983 4.392 ( -1.208 3.867 -2.296) 4.657 4.445 ( -0.521 -0.919 3.299) 3.464 4.610 ( -0.219 1.417 -0.726) 1.607 4.631 ( 1.107 3.436 4.091) 5.456 4.692 ( -2.040 -1.194 1.667) 2.892 4.759 ( 2.789 3.889 0.995) 4.888 4.818 ( -2.248 8.434 -0.109) 8.729 4.836 ( 0.704 -0.117 -3.073) 3.155 4.910 ( -1.611 -1.399 -3.927) 4.470 5.004 ( -4.892 -1.282 -2.196) 5.513 5.049 ( -3.351 -3.449 3.427) 5.905 5.133 ( 0.433 0.141 6.131) 6.148 5.231 ( 0.044 4.060 -0.876) 4.153 5.243 ( 0.931 0.326 5.822) 5.905 5.326 ( -0.516 -6.828 -2.430) 7.266 5.459 ( -1.764 -2.423 -0.857) 3.117 5.534 ( -5.545 2.249 0.115) 5.985 5.560 ( -3.904 -4.262 1.374) 5.941 5.776 ( 1.987 -10.920 0.137) 11.100 5.799 ( 0.876 0.261 -3.149) 3.279 5.841 ( 2.157 -2.689 -1.284) 3.678 5.947 ( -1.368 -8.020 -0.288) 8.141 6.282 ( 0.847 5.431 -1.484) 5.694 6.402 ( 3.877 1.709 -0.865) 4.324 6.471 ( 7.194 1.783 0.478) 7.427 6.545 ( 2.582 -3.302 -2.314) 4.788 6.687 ( 1.854 2.202 4.198) 5.090 6.808 ( -0.797 -1.108 -0.954) 1.666 6.856 ( -1.661 -0.795 1.757) 2.545 6.875 ( -2.693 -1.205 -1.957) 3.541 6.916 ( 1.427 1.628 0.521) 2.227 7.028 ( 3.042 -2.265 0.207) 3.798 7.063 ( 0.335 1.787 -0.104) 1.821 7.236 ( -8.035 -4.660 -0.487) 9.301 7.629 ( -10.080 4.140 0.562) 10.912 7.814 ( -7.051 4.454 -1.375) 8.452 7.856 ( -9.841 -3.197 0.956) 10.391 8.080 ( -8.599 -6.022 -0.190) 10.500 8.758 ( 3.083 2.620 -2.751) 4.893 8.787 ( 0.884 1.468 -1.111) 2.042 8.862 ( -0.021 1.446 2.932) 3.269 8.951 ( -0.000 -2.365 0.684) 2.462 9.068 ( 1.338 0.978 1.087) 1.982 9.114 ( 1.915 1.049 -1.068) 2.431 9.150 ( 0.919 -1.316 1.374) 2.112 9.194 ( 2.334 -1.406 1.519) 3.120 9.371 ( 2.098 -0.626 -0.995) 2.405 9.396 ( 1.865 -2.780 1.259) 3.576 9.496 ( 4.152 -0.293 0.563) 4.200 9.524 ( 4.159 -1.039 1.402) 4.511 9.605 ( -8.536 0.937 0.064) 8.588 9.674 ( -5.027 -2.500 -0.717) 5.659 9.789 ( -4.964 -0.245 -0.684) 5.017 9.838 ( -9.146 -2.065 -2.310) 9.657 9.948 ( 0.612 1.959 -3.134) 3.746 10.031 ( -4.066 1.594 -0.468) 4.392 10.140 ( -3.375 1.289 -0.109) 3.614 10.212 ( -3.819 -2.280 1.710) 4.765 10.514 ( -1.284 1.218 1.992) 2.665 10.593 ( -0.271 3.841 -0.328) 3.865 10.657 ( -3.508 -3.189 1.251) 4.903 10.710 ( -3.269 -0.784 -0.855) 3.469 11.471 ( 2.551 0.622 0.579) 2.689 11.535 ( 6.857 -2.276 -0.075) 7.225 11.564 ( 5.224 -0.341 -0.262) 5.242 11.597 ( 2.757 -0.860 0.601) 2.950 11.938 ( -0.174 1.873 0.137) 1.886 11.978 ( 2.475 2.897 0.258) 3.819 11.993 ( -2.361 0.582 -0.931) 2.603 12.055 ( -1.791 1.798 -0.353) 2.563 12.153 ( 2.134 0.420 1.673) 2.744 12.229 ( 3.462 -1.594 0.215) 3.818 12.311 ( 0.022 -2.970 -1.450) 3.305 12.329 ( 4.819 -3.477 -0.795) 5.995 12.570 ( -0.182 1.250 0.774) 1.482 12.618 ( 1.078 2.007 -0.415) 2.315 12.682 ( -3.642 -3.049 -0.567) 4.784 12.716 ( -2.401 -1.345 0.172) 2.757 13.232 ( 5.868 6.936 -0.006) 9.085 13.259 ( 4.414 6.036 -0.282) 7.483 13.465 ( -1.455 -2.520 0.577) 2.967 13.489 ( -2.985 -1.290 -0.367) 3.272 13.812 ( 5.511 6.288 0.463) 8.374 13.896 ( 8.371 5.338 -0.472) 9.939 13.952 ( -0.786 -0.801 0.035) 1.123 14.100 ( 2.012 -3.703 0.073) 4.215 14.151 ( -4.198 7.497 0.102) 8.593 14.277 ( -1.787 4.234 1.180) 4.745 14.351 ( -5.228 0.910 -1.129) 5.425 14.434 ( -4.478 0.423 -0.765) 4.562 14.910 ( 4.132 -0.346 1.253) 4.332 15.014 ( 2.563 0.678 -2.247) 3.475 15.104 ( -6.030 -5.992 2.900) 8.982 15.172 ( -5.185 -4.413 -1.410) 6.953 15.352 ( 6.722 1.073 -0.748) 6.848 15.381 ( 6.848 1.729 1.317) 7.184 15.444 ( 4.181 -2.701 -1.196) 5.119 15.496 ( 6.544 -3.231 -0.033) 7.298 15.716 ( 4.180 0.894 -3.190) 5.333 15.764 ( 1.433 -1.150 -0.730) 1.978 15.819 ( 3.766 1.944 0.984) 4.351 15.881 ( 3.506 -0.462 3.342) 4.866 16.267 ( -1.609 -0.116 -0.328) 1.646 16.287 ( -0.536 -0.554 1.279) 1.494 16.361 ( 1.131 0.250 -0.573) 1.292 16.380 ( -2.210 -0.148 1.005) 2.432 17.151 ( 0.685 1.630 -0.185) 1.777 17.201 ( 1.340 -0.205 0.446) 1.428 17.211 ( -0.529 0.336 0.495) 0.799 17.239 ( -0.334 -1.072 -1.481) 1.858 19.800 ( 8.630 -0.523 -1.618) 8.796 19.810 ( 9.142 -0.775 0.978) 9.227 19.995 ( 4.713 0.759 0.137) 4.776 20.032 ( 5.581 -0.684 1.448) 5.806 20.238 ( -9.233 1.198 2.334) 9.599 20.294 ( -10.232 -1.127 1.665) 10.427 20.523 ( -5.980 1.745 -0.370) 6.240 20.605 ( -6.028 -1.664 -0.926) 6.322 21.982 ( 9.048 2.000 -0.015) 9.267 22.004 ( 10.609 1.459 -1.544) 10.820 22.107 ( 8.853 -1.174 0.784) 8.965 22.138 ( 9.846 -2.015 0.020) 10.050 22.608 ( -7.098 1.281 -0.632) 7.240 22.716 ( -8.171 -3.208 -0.727) 8.808 22.790 ( -9.466 0.506 1.135) 9.548 22.846 ( -10.009 -1.708 0.235) 10.156 27.191 ( 18.503 3.226 -0.885) 18.803 27.238 ( 19.761 5.327 1.631) 20.531 27.419 ( 19.848 -5.192 -5.188) 21.161 27.576 ( 21.144 -8.608 8.037) 24.202 28.233 ( -19.068 5.782 0.981) 19.949 28.286 ( -20.631 5.910 -1.313) 21.500 28.522 ( -22.332 -5.494 -1.672) 23.058 28.550 ( -19.264 -6.436 1.511) 20.367 30.298 ( 8.870 5.103 -1.086) 10.290 30.435 ( 7.892 7.251 2.106) 10.922 30.502 ( 3.175 -2.972 0.026) 4.349 30.576 ( 0.251 0.349 -1.302) 1.371 30.700 ( 7.986 3.531 -0.495) 8.746 30.861 ( 6.467 2.361 0.650) 6.915 30.885 ( 6.910 -3.392 3.369) 8.402 31.046 ( 7.500 -1.370 0.000) 7.624 31.146 ( -5.960 4.445 0.486) 7.450 31.269 ( -10.158 3.492 0.092) 10.742 31.414 ( -9.206 -2.151 2.327) 9.736 31.471 ( -8.801 -2.243 1.194) 9.161 31.822 ( 2.492 2.804 -0.443) 3.777 31.861 ( 3.626 3.983 -1.312) 5.544 32.035 ( 2.652 -4.573 1.382) 5.464 32.113 ( 1.389 -5.902 9.081) 10.919 32.711 ( 5.237 1.393 2.099) 5.812 32.770 ( 7.519 -0.987 0.321) 7.591 32.918 ( 11.840 0.709 -0.310) 11.865 32.959 ( 11.076 -0.784 -1.223) 11.171 33.203 ( -4.765 0.444 -1.975) 5.178 33.246 ( -3.816 -1.520 0.756) 4.176 33.357 ( -7.013 1.383 1.543) 7.312 33.410 ( -7.390 -1.050 2.794) 7.970 34.491 ( -1.254 1.286 -0.263) 1.815 34.546 ( -1.118 -0.986 -1.461) 2.088 34.855 ( 2.121 0.564 -1.763) 2.815 34.886 ( 1.065 -0.715 -1.060) 1.664 35.267 ( 0.787 3.681 0.873) 3.864 35.373 ( 1.725 1.671 -1.300) 2.731 35.454 ( 1.313 -4.346 -0.942) 4.637 35.502 ( 0.955 -4.003 -0.063) 4.116 35.686 ( 4.786 2.481 -8.600) 10.150 35.781 ( 7.009 -1.491 -10.046) 12.340 35.856 ( 1.077 1.687 3.825) 4.317 35.915 ( 3.308 -0.465 3.146) 4.588 36.753 ( -2.964 6.880 -10.652) 13.022 36.899 ( -9.682 2.246 9.468) 13.727 37.250 ( -11.421 -5.215 -9.562) 15.782 37.266 ( -19.927 -4.329 10.321) 22.855 ======================= Grid point 57 (28/63) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 0.433 -0.704 -1.235) 1.486 1.182 ( -0.807 0.187 -0.745) 1.114 1.248 ( 0.981 1.336 -2.127) 2.697 1.258 ( -0.685 0.667 -1.713) 1.962 1.518 ( -0.317 1.642 -0.533) 1.756 1.658 ( -4.560 -3.283 -4.832) 7.411 1.718 ( 2.545 -0.996 1.194) 2.982 1.736 ( -1.041 0.215 -2.614) 2.822 1.815 ( 1.466 1.090 -0.848) 2.014 1.845 ( -0.755 -0.065 -5.651) 5.701 1.934 ( 4.599 -2.307 4.973) 7.156 1.985 ( 2.302 -4.493 6.478) 8.213 2.137 ( -1.612 1.599 -2.217) 3.173 2.253 ( -3.720 2.628 4.765) 6.592 2.324 ( 0.966 -3.179 -2.414) 4.107 2.386 ( -1.892 -0.140 -0.011) 1.897 2.394 ( -0.764 0.148 2.098) 2.237 2.533 ( 1.590 3.784 2.432) 4.771 2.624 ( -3.610 1.578 -3.383) 5.193 2.746 ( 1.320 0.949 6.194) 6.404 2.816 ( -11.466 4.939 -6.235) 13.955 2.904 ( 1.373 5.804 -1.793) 6.228 3.028 ( 6.808 4.350 -2.754) 8.535 3.107 ( -8.731 -6.362 -6.173) 12.442 3.158 ( 3.864 1.146 -7.932) 8.897 3.209 ( -6.244 0.740 -2.947) 6.944 3.262 ( -5.016 -3.064 -7.057) 9.185 3.331 ( 5.430 -9.367 0.912) 10.865 3.392 ( 0.208 3.837 -1.040) 3.981 3.487 ( -3.667 -5.124 -0.583) 6.328 3.530 ( 7.718 -4.261 -0.905) 8.862 3.681 ( 6.712 1.761 1.884) 7.190 3.698 ( -0.603 6.558 -1.525) 6.760 3.757 ( 5.708 0.784 0.442) 5.778 3.807 ( -2.110 3.849 2.749) 5.179 3.866 ( 0.844 -0.027 1.879) 2.060 3.966 ( 5.381 1.696 -3.249) 6.511 3.980 ( -2.221 3.094 1.426) 4.067 4.034 ( -4.723 4.194 6.844) 9.313 4.127 ( -0.492 5.177 4.824) 7.093 4.164 ( 0.846 -2.389 5.850) 6.375 4.315 ( 2.370 -2.624 2.262) 4.198 4.375 ( 1.017 -2.088 -0.246) 2.335 4.478 ( -3.371 0.923 -4.729) 5.880 4.529 ( -0.428 3.579 3.567) 5.071 4.633 ( 1.004 -4.146 -2.293) 4.843 4.664 ( -2.817 -0.860 -1.161) 3.166 4.748 ( -1.016 4.874 -1.268) 5.137 4.789 ( 0.514 6.773 -1.311) 6.918 4.842 ( -0.365 3.867 -0.687) 3.944 4.876 ( -1.945 0.743 -2.276) 3.085 4.897 ( 2.508 -0.241 -0.692) 2.612 5.039 ( -1.785 -2.260 2.321) 3.699 5.204 ( -2.758 4.254 0.545) 5.098 5.231 ( 2.608 -0.362 1.322) 2.946 5.301 ( 0.616 -5.612 3.170) 6.475 5.357 ( -1.958 -3.080 1.900) 4.115 5.386 ( 1.965 1.301 1.830) 2.984 5.512 ( -3.210 -2.581 3.537) 5.429 5.595 ( 2.974 -3.349 4.465) 6.324 5.777 ( 1.942 2.206 -3.345) 4.452 5.800 ( 0.271 -11.160 -0.683) 11.184 5.872 ( 1.189 -1.087 1.291) 2.064 5.923 ( 1.010 -7.257 -1.085) 7.406 6.284 ( 1.560 5.150 -0.822) 5.443 6.437 ( -0.874 -1.040 -1.665) 2.149 6.481 ( -0.702 1.549 -4.408) 4.725 6.534 ( -1.021 2.070 -2.916) 3.719 6.775 ( -2.393 -0.986 1.766) 3.133 6.818 ( -0.466 -1.249 1.452) 1.971 6.824 ( 3.792 -0.399 2.405) 4.508 6.898 ( 0.881 3.599 0.388) 3.725 6.928 ( -0.006 -3.804 3.672) 5.287 7.030 ( -1.281 -1.147 -1.594) 2.345 7.049 ( -2.855 -0.501 -2.911) 4.107 7.122 ( 0.532 -3.271 -1.252) 3.542 7.585 ( 0.989 3.124 3.997) 5.169 7.754 ( 1.542 3.436 -0.041) 3.766 7.814 ( 1.339 -2.584 3.260) 4.369 7.991 ( -0.347 -4.641 -0.966) 4.753 8.759 ( 1.041 2.766 -2.502) 3.872 8.775 ( -0.099 2.296 -2.178) 3.167 8.894 ( -0.718 0.709 2.763) 2.941 8.953 ( -0.315 -1.922 0.299) 1.971 9.088 ( -1.851 2.298 1.471) 3.297 9.134 ( 2.268 0.082 -0.546) 2.335 9.175 ( -0.603 -0.476 1.698) 1.864 9.226 ( -0.768 -2.027 1.411) 2.587 9.405 ( -0.900 -0.424 1.206) 1.563 9.432 ( -2.021 -2.056 1.903) 3.454 9.467 ( 1.100 -0.589 -0.075) 1.250 9.496 ( 1.866 -0.531 -0.279) 1.960 9.584 ( -1.624 0.898 -2.499) 3.113 9.627 ( -6.089 -1.524 -3.619) 7.246 9.731 ( 4.696 -2.249 0.494) 5.230 9.754 ( 1.605 -3.232 -0.384) 3.628 9.964 ( 3.344 0.713 -1.442) 3.711 9.975 ( 0.631 1.149 -1.443) 1.950 10.123 ( 0.281 1.421 0.717) 1.616 10.167 ( -2.160 -1.762 -0.315) 2.805 10.512 ( -1.650 2.327 1.504) 3.225 10.592 ( 0.533 4.326 -0.194) 4.363 10.637 ( -0.902 -2.374 1.269) 2.839 10.685 ( 0.987 -0.741 0.254) 1.260 11.496 ( -0.461 1.370 0.957) 1.734 11.587 ( -0.259 -2.423 -0.259) 2.450 11.603 ( 0.293 -0.733 -0.317) 0.851 11.632 ( -0.335 -1.122 0.334) 1.218 11.930 ( -0.317 1.482 -0.295) 1.544 11.969 ( 0.070 -0.328 -0.460) 0.569 11.992 ( -0.030 2.454 -0.658) 2.541 12.026 ( 0.224 0.437 -0.912) 1.036 12.181 ( -1.747 1.024 1.150) 2.329 12.270 ( 0.382 -2.211 0.023) 2.244 12.327 ( 1.680 -2.625 0.530) 3.161 12.384 ( 0.719 -4.608 -0.550) 4.696 12.554 ( -0.473 0.634 -0.101) 0.798 12.618 ( -0.924 -1.227 -0.422) 1.592 12.648 ( 2.410 1.128 -0.963) 2.829 12.671 ( -1.922 -1.004 -0.413) 2.207 13.301 ( -0.582 5.814 -0.144) 5.845 13.306 ( 0.856 6.209 -0.181) 6.270 13.435 ( -0.670 2.216 0.094) 2.317 13.446 ( 0.267 2.218 -0.191) 2.242 13.905 ( -1.431 3.355 1.519) 3.951 13.939 ( 2.168 3.384 1.068) 4.158 14.008 ( 2.137 4.256 -0.781) 4.826 14.085 ( -3.405 -0.672 -1.673) 3.853 14.122 ( 1.491 2.232 0.827) 2.808 14.251 ( -3.772 2.623 -2.004) 5.013 14.286 ( 1.690 0.123 0.810) 1.879 14.372 ( 1.248 -1.942 -0.933) 2.490 14.955 ( 0.511 -2.581 -0.192) 2.638 15.022 ( -2.519 -4.498 0.132) 5.157 15.045 ( -0.046 -1.834 -0.402) 1.878 15.105 ( 0.892 -2.881 -0.569) 3.069 15.422 ( -2.177 1.010 -0.352) 2.425 15.445 ( 2.610 0.791 -0.783) 2.838 15.482 ( 0.748 -0.798 0.686) 1.291 15.522 ( -0.926 -1.179 -0.483) 1.575 15.778 ( 0.356 0.006 0.721) 0.804 15.814 ( 3.920 0.406 -0.417) 3.963 15.866 ( 1.286 -0.413 2.159) 2.547 15.907 ( -3.297 -1.121 0.865) 3.588 16.254 ( 0.841 0.293 0.729) 1.151 16.287 ( -2.138 -1.018 1.047) 2.589 16.327 ( -0.790 1.367 -0.424) 1.635 16.388 ( 1.395 -1.185 -0.524) 1.903 17.159 ( 0.207 1.508 0.031) 1.523 17.201 ( -1.094 -0.066 -0.991) 1.478 17.205 ( -0.492 0.435 0.261) 0.707 17.238 ( 1.662 -1.130 -0.350) 2.040 19.930 ( 2.813 -0.284 -0.400) 2.856 19.948 ( 0.766 -0.450 -0.339) 0.951 20.011 ( 2.112 0.444 0.318) 2.182 20.032 ( -2.743 -0.058 0.103) 2.746 20.174 ( -3.572 0.573 2.695) 4.511 20.206 ( -2.954 -0.709 2.799) 4.131 20.471 ( 0.987 1.608 0.676) 2.004 20.550 ( 1.534 -1.634 -0.059) 2.242 22.073 ( -0.592 2.703 0.306) 2.784 22.112 ( 1.104 2.407 -0.642) 2.724 22.209 ( 0.063 -2.929 0.928) 3.074 22.244 ( 0.391 -3.071 0.014) 3.096 22.534 ( 1.118 1.280 -0.409) 1.748 22.599 ( -0.637 -1.227 -1.932) 2.375 22.708 ( -0.765 -0.115 1.017) 1.277 22.743 ( -0.334 -1.338 0.245) 1.401 27.406 ( 0.811 4.005 0.598) 4.129 27.454 ( -1.778 6.266 -0.606) 6.541 27.650 ( 7.983 -5.278 1.577) 9.699 27.762 ( -10.249 -6.212 -1.531) 12.082 28.027 ( -2.826 5.471 0.257) 6.163 28.073 ( 3.969 3.072 -1.620) 5.273 28.323 ( 6.407 -6.919 3.900) 10.204 28.363 ( -3.917 -7.659 3.420) 9.257 30.377 ( 1.155 3.857 -0.401) 4.046 30.463 ( -3.747 2.743 -2.681) 5.363 30.545 ( -0.738 -0.193 0.626) 0.987 30.564 ( 1.496 0.799 -1.004) 1.971 30.848 ( 5.516 1.600 2.944) 6.454 30.899 ( -3.110 -0.589 2.831) 4.247 30.982 ( -2.539 2.962 -0.264) 3.910 31.046 ( -1.483 -0.417 -2.250) 2.726 31.178 ( 3.501 -0.159 2.009) 4.040 31.215 ( 3.210 -0.782 3.874) 5.092 31.321 ( -6.432 3.745 5.224) 9.093 31.429 ( 2.426 -0.185 3.797) 4.510 31.846 ( 0.070 3.086 0.872) 3.207 31.896 ( 0.552 4.839 0.474) 4.894 32.162 ( -0.475 -6.281 10.093) 11.897 32.225 ( 1.230 -4.504 9.803) 10.858 32.739 ( -1.548 1.428 -1.569) 2.626 32.794 ( -2.501 -0.798 -3.886) 4.689 33.081 ( 2.895 -0.464 0.434) 2.963 33.099 ( 2.434 -0.698 1.366) 2.877 33.140 ( 0.592 1.367 -0.150) 1.497 33.201 ( -2.424 -1.867 0.859) 3.177 33.303 ( 0.248 1.154 2.649) 2.900 33.331 ( -1.937 -0.368 1.739) 2.629 34.502 ( 0.971 1.066 2.309) 2.722 34.550 ( 1.703 -0.946 1.140) 2.257 34.840 ( 0.403 0.294 -4.020) 4.051 34.859 ( -0.544 -0.479 -3.626) 3.698 35.310 ( 1.042 2.802 2.930) 4.186 35.371 ( 0.421 1.681 -1.769) 2.476 35.460 ( 0.744 -3.700 -1.707) 4.142 35.527 ( 0.928 -3.898 2.047) 4.500 35.656 ( 5.022 3.023 -10.957) 12.426 35.763 ( -0.421 0.449 -8.474) 8.496 35.779 ( 2.043 0.476 -9.542) 9.770 35.866 ( -6.096 -1.587 -6.665) 9.171 36.776 ( 0.597 3.396 2.170) 4.074 36.803 ( -2.737 3.362 2.143) 4.836 37.046 ( -13.924 -1.227 2.801) 14.256 37.185 ( 12.170 -5.280 -0.957) 13.301 ======================= Grid point 58 (29/63) ======================= q-point: (-0.38 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( -7.615 2.228 -2.278) 8.255 1.172 ( -1.677 0.881 -1.410) 2.361 1.212 ( -0.995 1.355 -1.940) 2.567 1.235 ( -0.213 0.722 -2.084) 2.216 1.439 ( -9.326 0.404 -0.340) 9.341 1.520 ( -3.893 -1.241 -2.621) 4.854 1.634 ( -4.018 4.448 -2.046) 6.334 1.672 ( -0.107 0.378 -2.579) 2.608 1.778 ( -2.838 0.777 -3.480) 4.557 1.812 ( -3.924 1.781 -2.275) 4.873 1.983 ( -8.709 2.016 4.165) 9.862 2.131 ( 3.541 -3.560 2.792) 5.745 2.174 ( -1.601 -2.823 5.157) 6.094 2.272 ( 0.442 -1.078 0.656) 1.337 2.317 ( 0.840 -2.352 2.252) 3.363 2.336 ( -3.561 -1.475 -10.751) 11.421 2.395 ( -2.855 -1.827 0.218) 3.396 2.506 ( -1.492 -4.363 2.136) 5.082 2.543 ( 2.976 2.188 -0.076) 3.695 2.618 ( -1.673 8.492 4.792) 9.893 2.736 ( -11.116 -7.661 -3.953) 14.067 2.817 ( -5.003 -3.636 0.439) 6.200 2.948 ( -2.822 2.598 2.395) 4.522 2.966 ( -5.198 1.890 -6.574) 8.592 3.064 ( 1.714 0.154 -1.975) 2.620 3.159 ( -9.518 -1.995 1.348) 9.818 3.209 ( -0.712 -4.562 -4.341) 6.337 3.291 ( -3.976 1.238 -1.781) 4.529 3.370 ( 1.562 3.703 -3.480) 5.316 3.428 ( -7.691 5.304 -5.802) 10.997 3.515 ( -4.716 8.335 0.019) 9.576 3.571 ( -7.194 3.573 -0.475) 8.046 3.716 ( -1.736 3.124 0.449) 3.602 3.739 ( -5.669 3.566 -0.146) 6.698 3.803 ( -2.544 0.166 4.619) 5.276 3.891 ( 1.845 0.678 -0.865) 2.148 3.954 ( 0.158 -0.890 1.870) 2.077 4.054 ( 5.093 -1.433 -4.352) 6.851 4.078 ( -2.406 1.645 4.970) 5.761 4.173 ( -3.181 -3.588 2.985) 5.648 4.256 ( 2.831 -0.940 4.453) 5.360 4.331 ( -1.965 2.581 -3.168) 4.534 4.351 ( 0.123 -3.472 -2.062) 4.040 4.440 ( 4.837 -1.963 1.712) 5.494 4.605 ( 0.453 -3.984 -1.118) 4.162 4.614 ( 1.521 7.088 1.783) 7.465 4.634 ( 1.837 -3.470 -0.144) 3.929 4.740 ( 2.362 2.997 -2.106) 4.358 4.783 ( -1.019 1.819 0.598) 2.169 4.857 ( 2.861 4.423 2.788) 5.960 4.887 ( 0.485 2.740 2.901) 4.019 4.975 ( 3.618 -0.495 2.368) 4.352 5.079 ( 5.683 2.174 0.651) 6.119 5.201 ( 1.744 0.992 1.107) 2.292 5.235 ( 1.850 -3.592 -5.163) 6.556 5.314 ( -2.069 -0.588 3.895) 4.449 5.404 ( -0.999 3.617 4.386) 5.772 5.448 ( 5.854 -4.883 -1.058) 7.696 5.550 ( -1.343 1.846 5.600) 6.048 5.685 ( 3.070 -6.985 0.646) 7.657 5.765 ( 0.271 -4.168 -1.870) 4.576 5.793 ( 0.961 -2.717 -0.856) 3.007 5.915 ( 0.915 -3.398 -1.308) 3.754 5.928 ( 1.485 -4.613 -0.101) 4.848 6.279 ( -3.564 2.142 -0.586) 4.199 6.367 ( -0.462 2.627 -1.906) 3.278 6.404 ( -5.229 -0.038 -2.159) 5.657 6.438 ( -4.237 -0.568 -2.511) 4.958 6.671 ( -7.105 1.766 1.435) 7.460 6.759 ( -4.670 -1.651 0.659) 4.997 6.925 ( 0.283 2.562 -0.007) 2.578 6.949 ( 2.962 -0.672 2.691) 4.058 6.975 ( -1.195 -1.820 0.026) 2.177 7.024 ( 1.445 0.560 -1.071) 1.884 7.042 ( 5.723 -2.118 1.857) 6.378 7.134 ( 3.796 -3.867 -3.851) 6.648 7.726 ( 9.291 3.391 3.493) 10.489 7.828 ( 7.330 4.761 -1.324) 8.840 7.963 ( 9.553 -5.455 4.057) 11.725 8.039 ( 8.085 -3.915 -2.597) 9.352 8.735 ( -0.740 3.067 -2.488) 4.018 8.747 ( 0.664 2.699 -1.440) 3.130 8.910 ( -1.484 0.829 3.374) 3.778 8.945 ( -0.998 -0.478 -0.095) 1.111 9.043 ( -4.172 2.294 0.927) 4.851 9.137 ( -1.926 -1.491 -0.637) 2.518 9.170 ( -2.261 -0.033 1.629) 2.787 9.228 ( -1.796 -1.767 1.947) 3.184 9.351 ( -5.898 -2.630 -0.454) 6.473 9.398 ( -3.152 -3.083 0.754) 4.473 9.461 ( -1.771 0.824 -0.527) 2.023 9.500 ( -2.526 0.407 0.306) 2.576 9.625 ( 11.673 -0.014 1.563) 11.777 9.670 ( 9.623 -1.359 -0.625) 9.739 9.741 ( 0.963 -1.307 -2.787) 3.225 9.858 ( 7.200 -4.924 -1.588) 8.867 9.917 ( -0.927 5.079 -2.497) 5.735 10.045 ( 5.758 -0.921 -1.127) 5.939 10.157 ( 2.730 0.443 -0.008) 2.765 10.208 ( 6.744 -1.384 1.340) 7.013 10.513 ( -0.454 2.282 2.281) 3.258 10.610 ( 1.710 4.409 -0.027) 4.729 10.646 ( 0.919 -3.279 0.763) 3.490 10.738 ( 4.077 -1.069 -0.005) 4.214 11.481 ( -3.148 0.844 1.123) 3.447 11.531 ( -4.829 -0.557 -0.496) 4.886 11.565 ( -6.608 -0.913 -0.309) 6.678 11.577 ( -4.596 -1.140 0.225) 4.741 11.923 ( -0.775 0.804 -0.075) 1.119 11.950 ( -0.787 1.635 -0.450) 1.869 12.008 ( 1.796 1.535 -0.183) 2.370 12.037 ( 2.008 1.004 -0.632) 2.332 12.158 ( -1.795 0.010 1.724) 2.488 12.246 ( -2.717 -3.490 -0.168) 4.426 12.323 ( -3.367 -2.667 -0.578) 4.334 12.346 ( -1.334 -3.255 -0.734) 3.594 12.529 ( -2.501 2.420 -0.231) 3.488 12.609 ( 0.822 2.830 -0.400) 2.974 12.668 ( 1.840 -2.788 -0.795) 3.434 12.723 ( 4.889 -2.090 0.241) 5.322 13.229 ( -5.663 7.215 -0.102) 9.173 13.261 ( -4.407 6.268 -0.210) 7.666 13.453 ( 1.986 -1.565 0.142) 2.532 13.495 ( 2.911 -1.662 -0.027) 3.352 13.837 ( -6.128 3.862 1.234) 7.348 13.908 ( -7.816 4.342 -0.494) 8.955 13.981 ( -1.054 -0.577 1.123) 1.644 14.042 ( 0.114 -0.096 -1.397) 1.405 14.172 ( 1.369 4.942 0.280) 5.136 14.214 ( 4.140 6.897 -0.396) 8.053 14.377 ( 5.677 -0.572 -0.176) 5.708 14.419 ( 4.546 1.048 -1.209) 4.819 14.888 ( -6.514 -1.144 0.064) 6.614 15.032 ( 1.979 -5.971 0.445) 6.306 15.035 ( 0.348 0.549 -1.103) 1.280 15.191 ( 6.986 -4.000 0.020) 8.051 15.332 ( -6.089 0.677 -0.450) 6.143 15.391 ( -7.506 0.825 0.462) 7.565 15.459 ( -2.254 -3.205 -0.807) 4.000 15.505 ( -4.282 -1.955 0.257) 4.714 15.719 ( -5.986 2.611 -1.395) 6.678 15.797 ( -3.228 -0.552 -0.929) 3.404 15.828 ( -1.822 1.786 1.468) 2.944 15.977 ( 1.992 -3.948 3.987) 5.954 16.260 ( -1.122 1.312 0.535) 1.808 16.307 ( 1.733 -0.606 -0.404) 1.879 16.347 ( 3.617 0.333 1.699) 4.010 16.404 ( 0.695 -2.030 0.601) 2.228 17.156 ( -0.517 0.848 0.225) 1.019 17.171 ( -0.727 0.015 -0.903) 1.159 17.204 ( -0.225 0.993 0.169) 1.032 17.256 ( 0.906 -1.060 -0.572) 1.507 19.797 ( -9.283 1.250 -0.194) 9.369 19.873 ( -6.415 -1.915 0.298) 6.702 20.015 ( -5.507 0.759 0.550) 5.586 20.048 ( -4.729 -0.667 2.268) 5.287 20.214 ( 7.127 1.269 1.968) 7.502 20.268 ( 7.364 -0.962 1.201) 7.523 20.563 ( 7.049 1.305 0.924) 7.228 20.627 ( 6.440 -1.333 -0.774) 6.621 21.975 ( -9.416 2.573 -0.622) 9.781 22.024 ( -9.088 2.250 -0.843) 9.400 22.108 ( -10.266 -2.416 0.932) 10.588 22.129 ( -10.946 -2.199 -0.204) 11.166 22.643 ( 8.822 1.393 0.779) 8.965 22.685 ( 11.092 0.080 -2.479) 11.366 22.782 ( 6.556 -1.270 1.537) 6.852 22.830 ( 8.478 -3.302 -0.306) 9.103 27.162 ( -19.781 3.226 -0.557) 20.050 27.275 ( -18.872 3.575 1.231) 19.247 27.358 ( -22.781 -1.015 -2.071) 22.898 27.732 ( -8.141 -13.156 6.832) 16.913 28.222 ( 20.135 6.019 0.490) 21.021 28.310 ( 20.103 4.152 -0.451) 20.532 28.527 ( 18.113 -5.752 0.454) 19.010 28.605 ( 17.324 -7.212 0.935) 18.788 30.303 ( -10.130 4.156 -0.746) 10.975 30.346 ( -5.636 4.844 -0.093) 7.432 30.489 ( -4.904 -0.383 0.225) 4.924 30.554 ( -1.663 -1.865 -1.326) 2.829 30.801 ( -8.265 2.328 2.305) 8.891 30.825 ( -9.078 4.280 -0.870) 10.074 30.981 ( -1.685 -4.958 4.288) 6.768 31.060 ( -0.052 -4.306 -1.033) 4.428 31.189 ( 2.305 3.803 0.282) 4.456 31.339 ( 6.171 -2.136 0.747) 6.573 31.418 ( 7.016 7.464 7.338) 12.601 31.594 ( 8.750 1.247 2.821) 9.278 31.812 ( -3.958 3.868 0.264) 5.540 31.952 ( 1.196 4.955 6.241) 8.058 32.143 ( -8.219 0.846 6.784) 10.690 32.502 ( 7.409 -7.390 12.019) 15.936 32.648 ( -5.821 0.131 -2.211) 6.228 32.654 ( -6.607 0.081 -0.709) 6.646 32.995 ( -10.270 0.344 -0.014) 10.276 33.026 ( -7.255 -0.919 0.411) 7.324 33.167 ( 0.712 1.234 -1.571) 2.121 33.239 ( 6.584 -1.831 6.280) 9.281 33.442 ( 8.527 0.361 2.420) 8.871 33.464 ( 10.281 -0.562 2.976) 10.717 34.565 ( 1.162 0.817 3.894) 4.145 34.610 ( 1.843 -1.110 2.293) 3.144 34.770 ( -1.201 0.701 -5.819) 5.983 34.800 ( -0.241 -0.527 -4.299) 4.337 35.329 ( -0.448 0.822 -1.888) 2.107 35.376 ( 0.515 0.459 1.200) 1.384 35.436 ( -0.301 0.208 -1.669) 1.709 35.542 ( -2.418 -1.611 -5.331) 6.072 35.583 ( 0.126 0.084 1.024) 1.035 35.632 ( -2.788 -0.256 -6.897) 7.443 35.666 ( -0.516 0.807 -8.756) 8.808 35.743 ( 6.859 -1.319 -13.954) 15.605 36.527 ( -15.674 2.936 -4.296) 16.515 36.719 ( -14.575 -5.745 -2.805) 15.916 37.175 ( 18.102 8.917 4.165) 20.604 37.521 ( 21.964 -6.326 2.243) 22.966 ======================= Grid point 59 (30/63) ======================= q-point: (-0.25 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.878 ( -14.787 7.765 2.957) 16.962 1.061 ( -9.493 7.487 -2.588) 12.364 1.182 ( -1.304 -0.772 -0.312) 1.547 1.188 ( -1.867 -0.504 -1.402) 2.388 1.293 ( -8.000 1.929 2.642) 8.643 1.380 ( -11.502 4.469 -3.124) 12.729 1.540 ( -6.123 -3.425 5.524) 8.930 1.639 ( -8.865 0.363 -1.696) 9.033 1.690 ( -3.624 -0.039 0.016) 3.624 1.733 ( 2.466 -1.484 0.794) 2.985 1.826 ( -17.793 8.732 -0.801) 19.836 1.976 ( -3.974 -3.685 -4.393) 6.977 2.053 ( -5.836 -2.247 -7.163) 9.509 2.239 ( 2.533 2.583 2.995) 4.697 2.269 ( 0.664 1.662 -0.108) 1.793 2.360 ( 2.885 0.885 -0.882) 3.144 2.432 ( 5.087 -5.473 3.361) 8.194 2.539 ( -2.127 -2.750 -0.313) 3.491 2.568 ( -2.761 -5.696 0.572) 6.356 2.631 ( -4.629 -0.765 -3.811) 6.045 2.702 ( -2.883 3.316 1.072) 4.523 2.801 ( 3.248 6.375 0.591) 7.179 2.840 ( -5.827 -4.487 -1.520) 7.510 2.956 ( 2.724 -2.803 3.981) 5.579 3.018 ( -8.430 6.732 2.066) 10.984 3.036 ( 0.236 -0.205 3.112) 3.128 3.078 ( -0.895 2.655 -0.041) 2.802 3.169 ( -5.125 -2.067 0.543) 5.553 3.222 ( -11.644 4.770 -0.447) 12.591 3.328 ( -6.329 -1.218 0.894) 6.507 3.428 ( -1.353 1.712 -3.885) 4.456 3.475 ( -7.692 8.698 1.817) 11.753 3.576 ( -11.501 -6.188 0.808) 13.085 3.724 ( -6.080 -3.278 -2.581) 7.374 3.813 ( 3.573 2.277 1.184) 4.399 3.872 ( -6.830 -0.269 -1.838) 7.079 3.963 ( 1.268 -3.625 0.499) 3.872 4.031 ( 1.335 0.549 -3.129) 3.446 4.068 ( -0.516 0.456 0.992) 1.208 4.113 ( -4.461 -0.887 -2.203) 5.054 4.265 ( -2.247 5.433 -2.830) 6.525 4.290 ( 0.680 -0.668 1.671) 1.924 4.386 ( 3.848 1.447 -0.306) 4.123 4.539 ( 5.874 -2.887 0.160) 6.547 4.594 ( -1.532 -2.312 1.801) 3.308 4.705 ( 3.431 -7.060 3.479) 8.586 4.741 ( 2.857 3.115 -0.050) 4.227 4.761 ( 4.961 0.831 1.013) 5.132 4.810 ( 2.950 0.061 0.361) 2.972 4.924 ( 3.948 0.635 -0.994) 4.121 4.944 ( 1.357 1.217 3.764) 4.182 5.080 ( 3.698 -3.395 3.305) 6.010 5.157 ( 3.167 -0.555 -4.682) 5.680 5.250 ( 5.357 6.762 1.554) 8.766 5.270 ( -0.895 3.349 7.520) 8.281 5.331 ( -1.565 3.013 -0.936) 3.522 5.427 ( 3.181 4.889 -1.249) 5.965 5.491 ( 0.512 -2.826 -0.835) 2.991 5.590 ( 1.965 0.180 0.219) 1.985 5.698 ( 0.432 -2.228 -2.838) 3.634 5.773 ( -0.949 -3.055 -1.821) 3.681 5.785 ( 1.099 -7.221 -1.888) 7.544 5.852 ( -1.415 -1.834 -2.559) 3.452 5.964 ( 0.193 -3.079 0.432) 3.115 6.198 ( -3.852 1.440 -0.738) 4.178 6.263 ( -5.091 1.116 0.147) 5.214 6.332 ( -2.843 0.465 -0.214) 2.889 6.426 ( 2.635 -2.951 1.758) 4.329 6.626 ( -2.224 2.317 2.622) 4.146 6.702 ( -3.437 0.137 2.161) 4.063 6.887 ( -3.847 -0.177 -2.794) 4.758 6.926 ( -1.927 -0.842 -1.952) 2.869 6.989 ( 0.764 0.640 -0.763) 1.255 7.046 ( 1.146 1.768 0.584) 2.186 7.125 ( 1.926 -1.559 -2.924) 3.833 7.165 ( 3.777 -2.537 0.792) 4.618 7.950 ( 12.665 3.397 -1.160) 13.164 7.994 ( 14.241 3.797 0.313) 14.742 8.194 ( 13.884 -5.833 -1.124) 15.101 8.206 ( 12.241 -5.588 1.245) 13.513 8.693 ( -0.626 3.840 -2.403) 4.573 8.751 ( 1.122 1.976 -0.631) 2.358 8.915 ( -2.415 1.347 0.222) 2.774 8.929 ( -2.156 0.391 3.973) 4.537 8.990 ( -2.927 2.704 1.174) 4.154 9.085 ( -2.861 -2.214 -0.521) 3.655 9.120 ( -4.616 -0.079 -0.639) 4.661 9.183 ( -3.693 -3.157 0.183) 4.862 9.251 ( -5.472 -0.676 2.619) 6.104 9.344 ( -5.956 -4.266 0.706) 7.361 9.439 ( -4.362 0.584 1.315) 4.593 9.454 ( -1.862 -0.162 -0.934) 2.090 9.701 ( -1.221 0.416 -1.933) 2.324 9.794 ( 3.585 -2.458 -2.583) 5.057 9.848 ( 11.784 0.770 0.266) 11.812 9.939 ( 12.225 -0.599 0.026) 12.239 10.039 ( 11.865 0.139 -1.015) 11.909 10.169 ( 8.369 -1.315 0.977) 8.528 10.236 ( 6.676 2.130 -0.742) 7.046 10.339 ( 6.400 -1.907 0.246) 6.683 10.559 ( 2.378 1.618 2.260) 3.658 10.646 ( 3.095 2.497 -0.583) 4.019 10.694 ( 2.693 -1.699 1.101) 3.369 10.814 ( 5.586 -2.847 -0.779) 6.318 11.385 ( -9.773 -0.317 -0.671) 9.801 11.409 ( -10.839 1.220 0.865) 10.941 11.420 ( -6.955 -2.388 -0.428) 7.366 11.482 ( -6.214 -1.261 1.185) 6.451 11.887 ( -3.599 1.797 1.125) 4.177 11.940 ( -0.685 2.228 -0.255) 2.345 12.041 ( 2.950 2.897 0.240) 4.141 12.080 ( 3.277 0.588 -0.742) 3.411 12.161 ( -1.450 -1.289 1.042) 2.203 12.177 ( -3.831 -2.522 -0.250) 4.593 12.261 ( -2.654 -0.008 -1.088) 2.869 12.321 ( 1.507 0.809 -1.518) 2.287 12.511 ( -0.748 1.261 1.563) 2.143 12.600 ( -1.586 5.277 -0.099) 5.511 12.694 ( 1.429 -4.957 0.249) 5.165 12.770 ( 0.642 -2.328 -0.694) 2.512 13.137 ( -4.859 6.327 0.310) 7.984 13.187 ( -3.068 4.304 -0.534) 5.313 13.437 ( -7.399 -7.687 0.887) 10.706 13.487 ( -3.417 -8.603 -0.327) 9.262 13.797 ( 3.540 8.293 -0.307) 9.022 13.848 ( 2.145 7.193 0.380) 7.515 13.985 ( 1.884 -3.077 0.443) 3.635 14.060 ( 2.976 -2.063 0.101) 3.623 14.186 ( 0.160 6.959 -0.053) 6.961 14.306 ( 3.672 8.177 1.406) 9.073 14.425 ( 2.049 2.813 -1.297) 3.714 14.471 ( 0.975 0.028 -0.788) 1.254 14.756 ( -9.948 1.431 1.039) 10.104 14.999 ( -3.864 0.696 -0.416) 3.948 15.067 ( 0.432 -3.015 0.378) 3.069 15.171 ( -11.542 -1.686 0.071) 11.664 15.238 ( -8.215 -0.947 -0.415) 8.280 15.301 ( -2.898 -1.703 0.295) 3.375 15.373 ( -4.638 1.452 -0.390) 4.876 15.444 ( 4.714 -2.886 -1.120) 5.639 15.642 ( -0.362 1.549 -0.988) 1.873 15.709 ( -2.415 -1.703 -1.381) 3.262 15.892 ( 3.913 0.226 1.687) 4.267 16.000 ( -2.268 -4.080 0.769) 4.731 16.253 ( -1.063 2.866 0.346) 3.077 16.289 ( -1.651 0.721 -1.196) 2.163 16.363 ( -3.281 -0.800 0.952) 3.508 16.525 ( 6.135 -7.530 4.478) 10.696 17.154 ( -0.030 0.382 0.100) 0.396 17.158 ( 0.156 0.200 -0.287) 0.383 17.197 ( -0.681 1.329 0.017) 1.494 17.256 ( 0.060 -1.210 -0.588) 1.346 19.656 ( -6.702 2.189 0.103) 7.051 19.787 ( -3.217 -3.134 -0.892) 4.579 19.900 ( -7.758 1.340 1.320) 7.982 19.964 ( -7.333 -1.317 2.176) 7.762 20.385 ( 8.629 1.175 1.945) 8.923 20.420 ( 8.029 -0.273 0.472) 8.047 20.701 ( 7.048 0.114 0.559) 7.071 20.726 ( 6.527 -0.770 -1.497) 6.741 21.767 ( -11.159 2.265 -2.120) 11.582 21.819 ( -11.265 1.915 -1.892) 11.582 21.939 ( -10.773 -0.974 0.925) 10.857 21.953 ( -8.984 -1.277 1.185) 9.152 22.807 ( 7.944 1.197 1.528) 8.177 22.849 ( 11.339 -0.301 -3.427) 11.850 22.942 ( 8.391 -1.864 2.811) 9.043 22.978 ( 8.627 -4.375 -0.479) 9.685 26.834 ( -16.969 1.569 0.072) 17.041 26.912 ( -20.700 -1.358 0.395) 20.748 26.987 ( -19.966 5.506 -0.543) 20.718 27.576 ( -20.019 -28.250 4.878) 34.965 28.605 ( 22.033 5.586 0.524) 22.737 28.699 ( 24.948 6.008 -0.378) 25.664 28.873 ( 19.529 -4.008 -0.066) 19.936 28.916 ( 19.303 -5.532 -1.403) 20.129 30.070 ( -15.464 5.603 -0.470) 16.455 30.243 ( -7.424 5.310 2.012) 9.346 30.378 ( -8.459 1.205 -0.019) 8.544 30.499 ( -2.379 -2.067 -0.489) 3.190 30.647 ( -7.228 5.821 -0.695) 9.307 30.723 ( -5.554 2.778 1.682) 6.434 30.867 ( -10.955 -0.735 0.539) 10.993 31.050 ( -1.229 -9.117 -0.320) 9.205 31.284 ( 4.543 1.973 0.880) 5.031 31.438 ( 3.415 -4.664 -0.203) 5.785 31.637 ( 11.219 6.806 1.649) 13.225 31.750 ( 5.804 -0.466 -0.922) 5.896 31.785 ( 3.343 5.603 1.143) 6.624 31.993 ( -1.397 -3.576 2.835) 4.773 32.252 ( 5.531 16.590 9.589) 19.944 32.440 ( -8.036 -0.675 -2.851) 8.553 32.516 ( -7.835 4.207 4.149) 9.813 32.664 ( -9.587 -1.481 2.807) 10.098 32.815 ( -7.750 5.428 0.640) 9.483 33.024 ( 6.597 -1.978 0.853) 6.940 33.212 ( 5.279 5.082 0.740) 7.364 33.561 ( 15.122 -6.287 8.840) 18.610 33.635 ( 11.716 -0.302 5.259) 12.846 33.660 ( 8.460 -0.760 1.407) 8.610 34.620 ( -0.239 0.096 3.103) 3.113 34.631 ( -1.455 -0.406 -3.870) 4.154 34.681 ( -0.093 1.054 -2.416) 2.638 34.732 ( 0.762 -1.032 -8.882) 8.975 35.292 ( -1.003 1.212 -1.320) 2.053 35.351 ( -1.276 -0.406 -2.456) 2.797 35.402 ( 0.234 -1.367 -6.163) 6.317 35.438 ( -2.299 -1.804 -5.530) 6.255 35.526 ( 0.098 1.053 -9.726) 9.783 35.558 ( -1.530 -0.141 -5.463) 5.676 35.618 ( -1.420 1.699 6.114) 6.503 35.709 ( 2.530 -2.110 0.508) 3.333 36.201 ( -14.762 2.889 -2.815) 15.303 36.419 ( -15.970 -7.395 0.209) 17.600 37.529 ( 17.205 10.327 1.848) 20.152 37.913 ( 20.229 -6.826 0.424) 21.354 ======================= Grid point 60 (31/63) ======================= q-point: (-0.12 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.691 ( -16.107 14.062 9.690) 23.475 0.793 ( -14.744 17.944 7.664) 24.456 1.132 ( -9.443 10.676 -0.245) 14.255 1.143 ( -3.028 2.197 0.527) 3.778 1.212 ( -0.993 -1.105 -1.430) 2.062 1.240 ( -7.379 -0.201 9.079) 11.701 1.380 ( -12.404 10.274 3.342) 16.450 1.472 ( -6.333 2.733 3.783) 7.866 1.596 ( -5.060 -4.345 8.841) 11.075 1.770 ( 1.879 1.552 1.162) 2.700 1.792 ( -0.284 0.841 0.929) 1.285 1.927 ( -0.595 -2.044 0.448) 2.176 2.041 ( 6.364 -9.119 -0.623) 11.137 2.186 ( -3.136 5.400 -3.696) 7.257 2.298 ( -5.361 1.012 0.695) 5.500 2.386 ( -1.656 -0.431 -2.543) 3.065 2.456 ( 7.176 -3.923 -5.197) 9.690 2.490 ( 1.820 3.968 1.054) 4.491 2.571 ( -0.256 -1.092 -3.006) 3.208 2.622 ( 5.018 -2.578 1.039) 5.736 2.685 ( -4.234 -0.717 3.638) 5.628 2.729 ( -1.360 -2.306 6.497) 7.027 2.840 ( -4.224 -6.738 -0.493) 7.967 2.896 ( 4.701 2.604 -0.813) 5.435 2.951 ( -10.569 6.057 1.671) 12.295 2.987 ( -5.032 1.680 -0.886) 5.378 3.119 ( -1.593 -1.943 -2.228) 3.358 3.193 ( 3.056 1.027 0.881) 3.342 3.226 ( -0.181 -4.023 5.273) 6.634 3.276 ( -4.864 -2.943 2.677) 6.284 3.319 ( -11.731 5.313 2.174) 13.061 3.369 ( -3.146 -2.150 1.843) 4.233 3.385 ( 0.272 -0.912 0.054) 0.953 3.606 ( -2.435 -1.547 -5.617) 6.314 3.713 ( -7.579 1.118 -3.694) 8.505 3.785 ( -6.122 2.867 1.649) 6.958 3.893 ( -5.210 -4.666 1.632) 7.182 4.005 ( -3.618 -2.915 -4.398) 6.398 4.078 ( 1.307 3.778 0.470) 4.025 4.089 ( 3.744 1.818 3.181) 5.239 4.205 ( -0.752 6.418 -2.155) 6.812 4.413 ( 1.302 2.523 1.042) 3.024 4.452 ( 7.839 -1.450 3.155) 8.574 4.571 ( 1.802 -0.340 0.112) 1.838 4.649 ( 2.283 -6.023 1.050) 6.526 4.728 ( 0.866 0.652 -2.930) 3.124 4.773 ( 0.705 -0.474 -2.275) 2.428 4.819 ( 0.827 -1.454 0.939) 1.918 4.864 ( 1.034 -0.918 1.687) 2.181 4.979 ( 4.014 -1.165 -2.272) 4.758 5.028 ( 0.161 2.033 3.181) 3.779 5.092 ( 0.009 1.023 -4.921) 5.027 5.143 ( -2.903 -0.981 -4.786) 5.683 5.232 ( -1.136 2.500 0.558) 2.802 5.312 ( -1.215 2.761 2.778) 4.101 5.429 ( 1.474 -2.017 -2.263) 3.371 5.464 ( 5.342 0.926 -3.209) 6.300 5.528 ( 12.428 2.195 1.247) 12.682 5.607 ( -0.902 -1.468 -1.195) 2.096 5.671 ( -2.687 -2.981 -5.928) 7.159 5.701 ( 2.815 0.596 -1.387) 3.194 5.716 ( -0.668 -5.785 -1.327) 5.972 5.859 ( 0.651 2.149 -2.683) 3.499 5.971 ( 0.455 -3.652 2.365) 4.374 6.119 ( -5.844 3.427 3.715) 7.726 6.227 ( -2.184 -0.917 2.687) 3.582 6.357 ( 3.724 0.256 0.987) 3.861 6.499 ( 1.683 -4.750 2.757) 5.744 6.634 ( -1.733 1.852 3.146) 4.041 6.696 ( -1.391 1.360 2.312) 3.022 6.749 ( -4.622 0.466 -3.991) 6.125 6.842 ( -3.274 -3.292 -2.038) 5.070 7.009 ( 1.077 1.736 0.578) 2.123 7.074 ( 2.633 2.686 -0.565) 3.804 7.142 ( 4.115 1.410 0.295) 4.360 7.215 ( -0.402 -3.257 2.020) 3.853 8.147 ( 11.592 5.122 -0.514) 12.684 8.260 ( 14.969 1.830 -0.872) 15.106 8.414 ( 9.969 -5.963 0.756) 11.641 8.433 ( 13.579 -6.028 -0.666) 14.872 8.652 ( -0.530 5.163 -2.096) 5.597 8.768 ( 2.038 1.754 -0.473) 2.730 8.870 ( -4.113 1.841 1.640) 4.796 8.914 ( -4.927 -0.580 2.528) 5.568 8.973 ( -2.348 1.753 1.579) 3.329 9.025 ( -3.629 -0.986 -1.240) 3.959 9.034 ( -2.550 -2.105 -0.344) 3.324 9.137 ( -2.245 -2.273 0.095) 3.196 9.190 ( -6.169 -1.700 2.776) 6.975 9.216 ( -7.283 -2.932 -0.482) 7.866 9.353 ( -4.253 0.229 -0.849) 4.343 9.401 ( -2.022 -1.830 -2.172) 3.486 9.678 ( -0.549 2.160 1.102) 2.486 9.831 ( 3.450 -4.924 -0.736) 6.057 10.025 ( 8.436 2.599 -0.973) 8.881 10.154 ( 9.718 -2.401 -0.057) 10.010 10.227 ( 8.608 3.683 0.530) 9.378 10.260 ( 3.340 4.103 -0.624) 5.327 10.416 ( 12.042 -3.087 -0.080) 12.432 10.429 ( 4.749 -2.038 -0.689) 5.214 10.629 ( 2.550 0.663 0.910) 2.787 10.697 ( 3.332 1.272 -0.971) 3.696 10.745 ( 1.677 1.178 1.222) 2.386 10.914 ( 6.102 -4.123 -0.618) 7.390 11.170 ( -11.823 0.274 -1.311) 11.899 11.212 ( -12.510 3.046 0.619) 12.890 11.307 ( -5.155 -5.258 -0.052) 7.364 11.395 ( -5.453 -3.249 0.929) 6.415 11.842 ( -3.937 2.737 2.475) 5.396 11.924 ( 0.259 1.022 -0.942) 1.415 12.077 ( -3.290 -2.356 -0.051) 4.047 12.116 ( -0.469 -1.468 -0.066) 1.542 12.125 ( 3.481 2.437 0.572) 4.288 12.157 ( 0.910 2.106 0.520) 2.353 12.246 ( 1.708 5.357 -0.212) 5.627 12.343 ( 2.293 4.219 -1.200) 4.950 12.514 ( -1.188 1.036 0.758) 1.749 12.571 ( -0.218 6.203 -0.742) 6.251 12.715 ( -0.200 -4.037 0.768) 4.114 12.754 ( -0.010 -2.747 -0.873) 2.883 13.070 ( -3.467 4.041 0.588) 5.357 13.150 ( -0.147 -0.237 -1.180) 1.212 13.282 ( -8.728 -4.405 0.622) 9.797 13.353 ( -12.326 -11.979 -0.843) 17.209 13.926 ( 9.990 6.416 -0.406) 11.880 13.973 ( 10.601 6.423 -0.509) 12.406 14.057 ( 4.251 -2.249 1.169) 4.949 14.140 ( 5.414 -1.274 -0.453) 5.581 14.178 ( -0.658 4.661 1.442) 4.923 14.350 ( -1.268 4.866 0.139) 5.030 14.419 ( -1.937 1.554 -0.958) 2.662 14.436 ( -1.785 -1.733 0.673) 2.577 14.566 ( -12.231 3.751 0.481) 12.802 14.882 ( -9.163 0.333 -0.907) 9.214 14.957 ( -9.800 -0.337 0.023) 9.806 14.985 ( -9.197 -1.754 -0.020) 9.363 15.111 ( -12.292 1.384 0.797) 12.395 15.185 ( 2.126 -2.042 -1.954) 3.536 15.409 ( 7.261 6.597 -8.913) 13.254 15.567 ( 9.192 -1.304 -0.314) 9.289 15.666 ( 3.053 0.210 0.096) 3.062 15.706 ( 2.634 -1.909 -0.856) 3.363 15.876 ( -5.011 1.915 -4.853) 7.234 16.004 ( 4.666 -3.559 -2.696) 6.458 16.217 ( -2.810 2.548 -0.076) 3.794 16.236 ( -2.986 1.333 -0.455) 3.302 16.308 ( -4.082 -0.571 1.443) 4.367 16.527 ( -10.152 -11.732 -7.181) 17.096 17.154 ( 0.448 0.434 -0.399) 0.740 17.164 ( 0.162 0.298 -0.063) 0.345 17.188 ( -0.530 1.237 0.701) 1.517 17.246 ( -0.176 -1.247 -0.399) 1.321 19.577 ( -3.054 1.744 0.951) 3.643 19.726 ( -1.444 -2.325 -3.008) 4.067 19.809 ( -4.358 -0.633 1.620) 4.693 19.861 ( -5.089 -1.434 -0.703) 5.334 20.531 ( 4.872 0.663 1.718) 5.208 20.542 ( 5.048 0.084 0.626) 5.087 20.790 ( 3.073 0.128 -0.338) 3.094 20.809 ( 4.793 -0.341 -1.487) 5.030 21.608 ( -4.849 1.210 0.070) 4.999 21.639 ( -6.226 0.999 0.174) 6.308 21.787 ( -8.125 0.372 1.194) 8.221 21.833 ( -5.951 -1.444 0.536) 6.147 22.930 ( 3.525 -1.123 1.028) 3.839 22.969 ( 7.501 -1.339 -3.913) 8.566 23.118 ( 8.092 -1.205 1.434) 8.306 23.128 ( 7.119 -0.824 3.048) 7.788 26.601 ( -9.832 0.507 0.164) 9.847 26.630 ( -12.226 -0.648 0.420) 12.250 26.667 ( -14.520 2.917 -0.587) 14.822 27.058 ( -38.458 -28.684 -7.365) 48.539 28.984 ( 21.355 5.172 0.156) 21.973 29.084 ( 17.676 2.836 -0.659) 17.914 29.158 ( 12.029 -1.235 0.833) 12.121 29.239 ( 19.672 -5.229 -0.470) 20.361 29.771 ( -18.735 6.678 0.507) 19.896 30.070 ( -16.684 -5.715 2.999) 17.888 30.332 ( 6.354 14.516 -0.679) 15.861 30.475 ( -0.886 -1.107 0.808) 1.632 30.556 ( -2.095 3.613 -1.869) 4.575 30.665 ( -2.272 4.096 -0.078) 4.684 30.690 ( -7.487 0.816 -3.186) 8.177 30.966 ( -6.669 -10.044 -3.663) 12.601 31.323 ( -1.220 2.063 1.093) 2.634 31.452 ( -0.719 -3.297 0.844) 3.478 31.820 ( 9.197 1.680 -1.211) 9.427 31.864 ( 11.669 0.247 -1.103) 11.723 31.918 ( 8.166 2.978 0.518) 8.707 32.055 ( 4.203 -2.977 0.578) 5.183 32.196 ( -4.258 7.567 -13.888) 16.379 32.284 ( -6.362 -0.647 -0.936) 6.463 32.418 ( -10.151 4.202 -3.661) 11.581 32.453 ( -14.325 -0.297 0.327) 14.331 32.815 ( 13.769 30.408 -36.993) 49.827 33.134 ( 4.990 -1.811 -1.633) 5.554 33.352 ( 11.427 14.895 -13.605) 23.184 33.706 ( 5.401 -0.059 -4.734) 7.182 33.770 ( 4.691 -0.245 -2.822) 5.480 33.932 ( 15.412 -4.697 -24.129) 29.013 34.525 ( -0.444 0.465 -0.838) 1.056 34.558 ( 0.062 -0.966 -4.539) 4.641 34.658 ( -1.010 0.931 1.997) 2.424 34.692 ( -0.746 -0.557 2.818) 2.967 35.241 ( -3.478 1.527 -3.909) 5.451 35.272 ( -0.418 1.524 0.190) 1.592 35.308 ( -1.630 -0.169 0.649) 1.762 35.401 ( -0.613 -0.974 1.593) 1.965 35.422 ( -0.798 -2.093 1.314) 2.596 35.462 ( -3.618 -2.803 -1.924) 4.964 35.733 ( -2.225 6.327 17.764) 18.988 35.923 ( 3.088 -2.693 7.819) 8.828 36.027 ( -7.113 2.621 7.886) 10.939 36.441 ( -1.975 -23.821 56.018) 60.904 37.793 ( 13.903 11.819 -2.162) 18.375 38.192 ( 12.354 -7.307 -1.846) 14.471 ======================= Grid point 61 (32/63) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 0.883 -13.325 1.137) 13.403 1.049 ( 0.883 13.325 1.137) 13.403 1.136 ( -2.133 -4.317 3.604) 6.015 1.136 ( -2.133 4.317 3.604) 6.015 1.273 ( 3.796 -9.356 15.135) 18.194 1.273 ( 3.796 9.356 15.135) 18.194 1.379 ( -8.705 -9.372 10.650) 16.645 1.379 ( -8.705 9.372 10.650) 16.645 1.771 ( -0.701 -2.768 0.510) 2.900 1.771 ( -0.701 2.768 0.510) 2.900 1.952 ( 0.720 -4.045 0.284) 4.119 1.952 ( 0.720 4.045 0.284) 4.119 2.043 ( 2.672 -25.059 -1.496) 25.245 2.043 ( 2.672 25.059 -1.496) 25.245 2.260 ( -3.314 -2.918 -1.817) 4.775 2.260 ( -3.314 2.918 -1.817) 4.775 2.463 ( 7.560 -5.802 -2.359) 9.817 2.463 ( 7.560 5.802 -2.359) 9.817 2.569 ( 3.876 -3.601 1.356) 5.462 2.569 ( 3.876 3.601 1.356) 5.462 2.735 ( -3.060 -2.851 1.489) 4.439 2.735 ( -3.060 2.851 1.489) 4.439 2.844 ( 0.244 -6.258 0.145) 6.265 2.844 ( 0.244 6.258 0.145) 6.265 2.907 ( -5.105 -4.514 3.764) 7.785 2.907 ( -5.105 4.514 3.764) 7.785 3.069 ( 0.121 -1.149 -0.397) 1.222 3.069 ( 0.121 1.149 -0.397) 1.222 3.220 ( -3.597 -1.882 0.568) 4.099 3.220 ( -3.597 1.882 0.568) 4.099 3.380 ( 2.727 -2.748 -2.856) 4.811 3.380 ( 2.727 2.748 -2.856) 4.811 3.508 ( -3.269 -3.421 1.157) 4.871 3.508 ( -3.269 3.421 1.157) 4.871 3.662 ( -0.935 -4.239 2.150) 4.844 3.662 ( -0.935 4.239 2.150) 4.844 3.880 ( 2.783 -2.544 3.006) 4.822 3.880 ( 2.783 2.544 3.006) 4.822 4.173 ( 0.430 -1.029 4.086) 4.235 4.173 ( 0.430 1.029 4.086) 4.235 4.460 ( 2.450 -12.041 1.242) 12.350 4.460 ( 2.450 12.041 1.242) 12.350 4.530 ( -1.214 -3.815 -3.787) 5.511 4.530 ( -1.214 3.815 -3.787) 5.511 4.594 ( -2.011 -3.058 -0.840) 3.755 4.594 ( -2.011 3.058 -0.840) 3.755 4.780 ( -1.259 -3.219 -4.970) 6.053 4.780 ( -1.259 3.219 -4.970) 6.053 4.954 ( 1.584 -4.728 1.443) 5.191 4.954 ( 1.584 4.728 1.443) 5.191 5.057 ( -0.835 -3.269 -2.134) 3.992 5.057 ( -0.835 3.269 -2.134) 3.992 5.143 ( -0.332 -10.700 -3.699) 11.326 5.143 ( -0.332 10.700 -3.699) 11.326 5.374 ( 0.818 -8.739 2.833) 9.223 5.374 ( 0.818 8.739 2.833) 9.223 5.475 ( 0.092 -3.914 -5.495) 6.747 5.475 ( 0.092 3.914 -5.495) 6.747 5.627 ( 3.370 -4.599 -2.154) 6.095 5.627 ( 3.370 4.599 -2.154) 6.095 5.696 ( 2.185 -5.783 -6.191) 8.749 5.696 ( 2.185 5.783 -6.191) 8.749 5.861 ( -0.937 -5.286 -1.526) 5.581 5.861 ( -0.937 5.286 -1.526) 5.581 6.160 ( -2.489 -4.101 4.214) 6.385 6.160 ( -2.489 4.101 4.214) 6.385 6.438 ( -1.291 -2.298 0.997) 2.819 6.438 ( -1.291 2.298 0.997) 2.819 6.649 ( -2.300 -1.967 1.582) 3.415 6.649 ( -2.300 1.967 1.582) 3.415 6.770 ( 3.347 -2.249 0.378) 4.050 6.770 ( 3.347 2.249 0.378) 4.050 7.081 ( -1.710 -4.487 2.044) 5.219 7.081 ( -1.710 4.487 2.044) 5.219 7.213 ( 2.454 -3.178 -0.213) 4.021 7.213 ( 2.454 3.178 -0.213) 4.021 8.413 ( -0.448 -7.992 0.451) 8.017 8.413 ( -0.448 7.992 0.451) 8.017 8.460 ( 1.054 -3.896 -0.655) 4.089 8.460 ( 1.054 3.896 -0.655) 4.089 8.797 ( 1.035 -4.162 0.276) 4.298 8.797 ( 1.035 4.162 0.276) 4.298 8.824 ( 0.482 -3.069 -0.555) 3.156 8.824 ( 0.482 3.069 -0.555) 3.156 8.939 ( -1.619 -1.668 0.344) 2.350 8.939 ( -1.619 1.668 0.344) 2.350 9.045 ( -1.402 -2.687 0.142) 3.034 9.045 ( -1.402 2.687 0.142) 3.034 9.113 ( -0.645 -0.643 0.740) 1.173 9.113 ( -0.645 0.643 0.740) 1.173 9.314 ( 1.057 -2.403 -2.342) 3.518 9.314 ( 1.057 2.403 -2.342) 3.518 9.775 ( 0.952 -4.987 2.235) 5.547 9.775 ( 0.952 4.987 2.235) 5.547 10.141 ( 0.005 -2.792 -4.027) 4.900 10.141 ( 0.005 2.792 -4.027) 4.900 10.391 ( -2.676 -3.254 -0.073) 4.214 10.391 ( -2.676 3.254 -0.073) 4.214 10.449 ( 2.503 -3.044 0.768) 4.015 10.449 ( 2.503 3.044 0.768) 4.015 10.694 ( -0.372 -3.450 1.546) 3.799 10.694 ( -0.372 3.450 1.546) 3.799 10.859 ( -0.237 -6.554 -2.022) 6.863 10.859 ( -0.237 6.554 -2.022) 6.863 11.127 ( 0.805 -4.000 -0.389) 4.099 11.127 ( 0.805 4.000 -0.389) 4.099 11.210 ( -0.905 -5.844 0.413) 5.928 11.210 ( -0.905 5.844 0.413) 5.928 11.884 ( -0.594 -3.825 1.391) 4.113 11.884 ( -0.594 3.825 1.391) 4.113 12.036 ( -0.866 -2.023 -1.473) 2.648 12.036 ( -0.866 2.023 -1.473) 2.648 12.229 ( 0.256 -1.943 2.224) 2.965 12.229 ( 0.256 1.943 2.224) 2.965 12.387 ( 0.898 -4.503 -1.689) 4.892 12.387 ( 0.898 4.503 -1.689) 4.892 12.582 ( -0.347 -6.721 0.811) 6.778 12.582 ( -0.347 6.721 0.811) 6.778 12.676 ( 0.337 -4.359 -0.295) 4.382 12.676 ( 0.337 4.359 -0.295) 4.382 13.109 ( 0.514 -2.021 -0.457) 2.135 13.109 ( 0.514 2.021 -0.457) 2.135 13.147 ( -0.625 -1.434 0.669) 1.701 13.147 ( -0.625 1.434 0.669) 1.701 14.105 ( -0.311 -0.254 0.052) 0.405 14.105 ( -0.311 0.254 0.052) 0.405 14.180 ( 1.690 -1.544 -1.465) 2.718 14.180 ( 1.690 1.544 -1.465) 2.718 14.280 ( -2.909 -4.323 1.208) 5.349 14.280 ( -2.909 4.323 1.208) 5.349 14.368 ( 1.933 -0.784 0.932) 2.284 14.368 ( 1.933 0.784 0.932) 2.284 14.627 ( -0.400 -11.025 2.034) 11.218 14.627 ( -0.400 11.025 2.034) 11.218 14.854 ( 1.153 -2.916 -3.347) 4.586 14.854 ( 1.153 2.916 -3.347) 4.586 15.088 ( -1.051 -10.347 2.846) 10.783 15.088 ( -1.051 10.347 2.846) 10.783 15.592 ( 1.506 -4.949 -5.021) 7.209 15.592 ( 1.506 4.949 -5.021) 7.209 15.732 ( 2.820 -0.930 -0.044) 2.970 15.732 ( 2.820 0.930 -0.044) 2.970 15.876 ( -2.031 -9.311 -9.234) 13.270 15.876 ( -2.031 9.311 -9.234) 13.270 16.211 ( -2.417 -1.055 0.520) 2.688 16.211 ( -2.417 1.055 0.520) 2.688 16.240 ( 0.051 -2.275 0.394) 2.310 16.240 ( 0.051 2.275 0.394) 2.310 17.171 ( 0.148 -0.148 0.212) 0.298 17.171 ( 0.148 0.148 0.212) 0.298 17.220 ( 0.202 -1.677 0.498) 1.761 17.220 ( 0.202 1.677 0.498) 1.761 19.615 ( 0.400 -4.459 -1.624) 4.762 19.615 ( 0.400 4.459 -1.624) 4.762 19.775 ( -0.621 -1.273 -0.165) 1.426 19.775 ( -0.621 1.273 -0.165) 1.426 20.590 ( -0.802 -0.593 1.151) 1.523 20.590 ( -0.802 0.593 1.151) 1.523 20.829 ( 0.488 -0.969 -0.830) 1.366 20.829 ( 0.488 0.969 -0.830) 1.366 21.603 ( 1.869 -2.104 1.623) 3.248 21.603 ( 1.869 2.104 1.623) 3.248 21.734 ( -1.528 -2.081 0.191) 2.588 21.734 ( -1.528 2.081 0.191) 2.588 22.958 ( 0.759 -2.013 -2.935) 3.639 22.958 ( 0.759 2.013 -2.935) 3.639 23.217 ( -1.024 -0.101 1.526) 1.840 23.217 ( -1.024 0.101 1.526) 1.840 26.506 ( -0.503 -0.104 -0.683) 0.855 26.506 ( -0.503 0.104 -0.683) 0.855 26.558 ( 0.647 -0.088 0.499) 0.822 26.558 ( 0.647 0.088 0.499) 0.822 29.247 ( -0.377 -0.358 1.569) 1.653 29.247 ( -0.377 0.358 1.569) 1.653 29.392 ( 1.990 -4.079 -1.294) 4.720 29.392 ( 1.990 4.079 -1.294) 4.720 29.732 ( -1.690 -11.448 6.472) 13.259 29.732 ( -1.690 11.448 6.472) 13.259 30.456 ( -1.440 -0.664 0.219) 1.601 30.456 ( -1.440 0.664 0.219) 1.601 30.549 ( 0.033 -1.029 -3.815) 3.952 30.549 ( 0.033 1.029 -3.815) 3.952 30.753 ( 1.309 -3.093 -3.870) 5.124 30.753 ( 1.309 3.093 -3.870) 5.124 31.383 ( -0.705 -4.904 1.816) 5.277 31.383 ( -0.705 4.904 1.816) 5.277 31.996 ( 0.886 -0.819 -1.895) 2.247 31.996 ( 0.887 0.819 -1.895) 2.247 32.008 ( 0.682 -1.436 -0.489) 1.663 32.008 ( 0.682 1.436 -0.489) 1.663 32.213 ( 4.839 -3.725 -5.817) 8.434 32.213 ( 4.839 3.725 -5.817) 8.434 32.235 ( -5.977 -0.959 -0.895) 6.119 32.235 ( -5.977 0.959 -0.895) 6.119 32.832 ( -0.539 -20.648 -42.387) 47.152 32.832 ( -0.539 20.648 -42.387) 47.152 33.390 ( -1.158 -6.343 -12.480) 14.047 33.390 ( -1.158 6.343 -12.480) 14.047 33.742 ( -0.162 -1.886 -6.730) 6.991 33.742 ( -0.162 1.886 -6.730) 6.991 34.621 ( 2.378 -0.449 2.496) 3.477 34.621 ( 2.378 0.449 2.496) 3.477 34.707 ( 1.401 -0.632 1.812) 2.375 34.707 ( 1.401 0.632 1.812) 2.375 35.288 ( 1.620 -2.798 1.508) 3.567 35.288 ( 1.620 2.798 1.508) 3.567 35.341 ( 0.176 -3.897 -0.114) 3.902 35.341 ( 0.176 3.897 -0.114) 3.902 35.442 ( 1.344 -1.154 4.256) 4.610 35.442 ( 1.344 1.154 4.256) 4.610 35.878 ( -0.622 -1.642 -3.762) 4.151 35.878 ( -0.622 1.642 -3.762) 4.151 36.596 ( -3.162 -25.668 47.479) 54.066 36.596 ( -3.162 25.668 47.479) 54.066 38.071 ( 0.030 -11.243 -5.870) 12.683 38.071 ( 0.030 11.243 -5.870) 12.683 ======================= Grid point 63 (33/63) ======================= q-point: ( 0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 1.704 -8.016 2.153) 8.474 1.060 ( 1.704 8.016 2.153) 8.474 1.161 ( 3.291 -0.949 -1.107) 3.599 1.161 ( 3.291 0.949 -1.107) 3.599 1.398 ( -0.407 -6.856 8.025) 10.562 1.398 ( -0.407 6.856 8.025) 10.562 1.574 ( 4.787 -7.246 12.630) 15.328 1.574 ( 4.787 7.246 12.630) 15.328 1.744 ( -1.751 -1.103 0.385) 2.106 1.744 ( -1.751 1.104 0.385) 2.106 1.952 ( -0.370 -4.877 1.498) 5.115 1.952 ( -0.370 4.877 1.498) 5.115 2.126 ( 1.506 -4.955 -2.984) 5.977 2.126 ( 1.506 4.955 -2.984) 5.977 2.221 ( 4.304 -1.173 2.013) 4.894 2.221 ( 4.304 1.173 2.013) 4.894 2.546 ( -3.572 -9.517 2.897) 10.571 2.546 ( -3.572 9.517 2.897) 10.571 2.679 ( 2.110 -1.515 -2.826) 3.839 2.679 ( 2.110 1.515 -2.826) 3.839 2.727 ( 0.729 -1.489 3.215) 3.617 2.727 ( 0.729 1.489 3.215) 3.617 2.816 ( 7.967 -2.547 1.197) 8.449 2.816 ( 7.967 2.547 1.197) 8.449 2.932 ( 2.459 -3.986 -0.740) 4.741 2.932 ( 2.459 3.986 -0.740) 4.741 3.118 ( -0.873 -5.173 0.540) 5.274 3.118 ( -0.873 5.173 0.540) 5.274 3.163 ( 3.838 -3.314 2.143) 5.505 3.163 ( 3.838 3.314 2.143) 5.505 3.416 ( 2.285 -2.025 -3.097) 4.348 3.416 ( 2.285 2.025 -3.097) 4.348 3.511 ( 8.097 -3.301 -0.151) 8.746 3.511 ( 8.097 3.301 -0.151) 8.746 3.731 ( 2.941 -1.806 2.818) 4.456 3.731 ( 2.941 1.806 2.818) 4.456 3.998 ( 4.378 -2.735 1.587) 5.401 3.998 ( 4.378 2.735 1.587) 5.401 4.189 ( -5.102 -4.318 4.617) 8.123 4.189 ( -5.102 4.318 4.617) 8.123 4.396 ( -2.261 -9.874 -4.850) 11.231 4.396 ( -2.261 9.874 -4.850) 11.231 4.466 ( -6.929 -7.045 -1.358) 9.975 4.466 ( -6.929 7.045 -1.358) 9.975 4.578 ( 0.050 -5.139 1.577) 5.375 4.578 ( 0.050 5.139 1.577) 5.375 4.701 ( 1.165 -1.260 -2.662) 3.168 4.701 ( 1.165 1.260 -2.662) 3.168 4.933 ( -3.199 -2.123 -2.345) 4.499 4.933 ( -3.199 2.123 -2.345) 4.499 5.007 ( -0.025 -3.578 -1.689) 3.956 5.007 ( -0.025 3.578 -1.689) 3.956 5.162 ( 3.447 -8.180 -2.367) 9.187 5.162 ( 3.447 8.180 -2.367) 9.187 5.346 ( -3.840 -4.543 -3.335) 6.820 5.346 ( -3.840 4.543 -3.335) 6.820 5.425 ( 0.320 -6.670 -2.037) 6.981 5.425 ( 0.320 6.670 -2.037) 6.981 5.615 ( -2.367 -6.896 -1.032) 7.363 5.615 ( -2.367 6.896 -1.032) 7.363 5.693 ( 4.156 -3.685 -3.453) 6.541 5.693 ( 4.156 3.685 -3.453) 6.541 5.843 ( 0.596 -7.620 -0.961) 7.704 5.843 ( 0.596 7.620 -0.961) 7.704 6.216 ( 2.569 -1.651 4.314) 5.286 6.216 ( 2.569 1.651 4.314) 5.286 6.409 ( -1.716 -1.703 0.792) 2.544 6.409 ( -1.716 1.703 0.792) 2.544 6.648 ( -0.571 -3.064 1.988) 3.697 6.648 ( -0.571 3.064 1.988) 3.697 6.850 ( 4.780 -2.074 -0.918) 5.291 6.850 ( 4.780 2.074 -0.918) 5.291 7.048 ( -4.358 -3.292 0.977) 5.549 7.048 ( -4.358 3.292 0.977) 5.549 7.240 ( 0.021 -5.916 0.462) 5.934 7.240 ( 0.021 5.916 0.462) 5.934 8.284 ( -13.178 -6.553 -0.012) 14.717 8.284 ( -13.178 6.553 -0.012) 14.717 8.325 ( -12.539 -6.212 -0.497) 14.002 8.325 ( -12.539 6.212 -0.497) 14.002 8.780 ( 1.037 -1.335 -1.226) 2.088 8.780 ( 1.037 1.335 -1.226) 2.088 8.892 ( -0.778 -1.195 1.185) 1.854 8.892 ( -0.778 1.195 1.185) 1.854 8.962 ( 5.522 -2.937 -0.039) 6.255 8.962 ( 5.522 2.937 -0.039) 6.255 9.060 ( 2.911 -1.932 -0.664) 3.556 9.060 ( 2.911 1.932 -0.664) 3.556 9.164 ( 4.377 -1.911 2.390) 5.341 9.164 ( 4.377 1.911 2.390) 5.341 9.338 ( 4.791 -2.749 -2.883) 6.231 9.338 ( 4.791 2.749 -2.883) 6.231 9.821 ( 0.244 -4.259 2.743) 5.072 9.821 ( 0.244 4.259 2.743) 5.072 10.035 ( -5.585 -1.702 -3.281) 6.697 10.035 ( -5.585 1.702 -3.281) 6.697 10.277 ( -9.977 -3.304 0.673) 10.531 10.277 ( -9.977 3.304 0.673) 10.531 10.398 ( -6.990 -1.041 -0.699) 7.102 10.398 ( -6.990 1.041 -0.699) 7.102 10.672 ( -4.647 -5.395 1.589) 7.295 10.672 ( -4.647 5.395 1.589) 7.295 10.796 ( -3.279 -6.262 -1.463) 7.218 10.796 ( -3.279 6.262 -1.463) 7.218 11.214 ( 9.066 -1.206 -1.108) 9.212 11.214 ( 9.066 1.206 -1.108) 9.212 11.295 ( 8.324 -1.318 1.035) 8.491 11.295 ( 8.324 1.318 1.035) 8.491 11.925 ( 2.480 -5.650 1.618) 6.379 11.925 ( 2.480 5.650 1.618) 6.379 12.028 ( 1.494 -2.773 -0.847) 3.262 12.028 ( 1.494 2.773 -0.847) 3.262 12.227 ( -3.069 -2.517 1.903) 4.401 12.227 ( -3.069 2.517 1.903) 4.401 12.331 ( -3.451 -4.948 -2.230) 6.432 12.331 ( -3.451 4.948 -2.230) 6.432 12.587 ( 0.149 -6.091 0.882) 6.157 12.587 ( 0.149 6.091 0.882) 6.157 12.685 ( 0.706 -6.257 -0.403) 6.309 12.685 ( 0.706 6.257 -0.403) 6.309 13.162 ( 5.810 -3.686 -0.303) 6.887 13.162 ( 5.810 3.686 -0.303) 6.887 13.209 ( 5.975 -4.614 0.228) 7.552 13.209 ( 5.975 4.614 0.228) 7.552 14.018 ( -6.830 -2.353 0.573) 7.246 14.018 ( -6.830 2.353 0.573) 7.246 14.080 ( -8.916 -3.336 -0.778) 9.551 14.080 ( -8.916 3.336 -0.778) 9.551 14.310 ( 4.304 -4.459 0.985) 6.275 14.310 ( 4.304 4.459 0.985) 6.275 14.452 ( 3.861 -2.128 -0.296) 4.418 14.452 ( 3.861 2.128 -0.296) 4.418 14.775 ( 9.574 -10.512 3.091) 14.550 14.775 ( 9.574 10.512 3.091) 14.550 14.931 ( 11.332 -1.097 -2.219) 11.599 14.931 ( 11.332 1.097 -2.219) 11.599 15.158 ( 4.429 -9.178 1.692) 10.330 15.158 ( 4.429 9.178 1.692) 10.330 15.460 ( -6.383 -8.115 -6.247) 12.068 15.460 ( -6.383 8.115 -6.247) 12.068 15.718 ( -3.086 -1.498 0.825) 3.528 15.718 ( -3.086 1.498 0.825) 3.528 15.771 ( 1.537 -4.185 -4.824) 6.569 15.771 ( 1.537 4.185 -4.824) 6.569 16.245 ( 4.121 -1.350 -0.258) 4.345 16.245 ( 4.121 1.350 -0.258) 4.345 16.284 ( 3.301 -1.812 0.214) 3.772 16.284 ( 3.301 1.812 0.214) 3.772 17.170 ( -0.314 -0.472 0.106) 0.576 17.170 ( -0.314 0.472 0.106) 0.576 17.229 ( 0.202 -1.651 0.215) 1.677 17.229 ( 0.202 1.651 0.215) 1.677 19.620 ( 2.556 -3.412 -1.520) 4.527 19.620 ( 2.556 3.412 -1.520) 4.527 19.799 ( 3.333 -0.794 0.067) 3.427 19.799 ( 3.333 0.794 0.067) 3.427 20.543 ( -6.170 -1.523 1.287) 6.484 20.543 ( -6.170 1.523 1.287) 6.484 20.791 ( -3.495 -1.449 -1.087) 3.936 20.791 ( -3.495 1.449 -1.087) 3.936 21.713 ( 8.363 -1.872 0.337) 8.576 21.713 ( 8.363 1.872 0.337) 8.576 21.762 ( 4.455 -2.150 0.653) 4.989 21.762 ( 4.455 2.150 0.653) 4.989 22.898 ( -3.659 -2.189 -2.228) 4.811 22.898 ( -3.659 2.189 -2.228) 4.811 23.141 ( -8.984 -0.390 1.974) 9.206 23.141 ( -8.984 0.390 1.974) 9.206 26.608 ( 12.226 -0.505 0.102) 12.237 26.608 ( 12.226 0.505 0.102) 12.237 26.726 ( 17.121 -3.101 -1.710) 17.483 26.726 ( 17.121 3.101 -1.710) 17.483 29.094 ( -18.219 -5.949 0.272) 19.168 29.094 ( -18.219 5.949 0.272) 19.168 29.193 ( -17.308 -4.353 0.972) 17.873 29.193 ( -17.308 4.353 0.972) 17.873 30.001 ( 14.805 -9.609 5.989) 18.639 30.001 ( 14.805 9.609 5.989) 18.639 30.416 ( 1.030 -6.016 -2.621) 6.643 30.416 ( 1.030 6.016 -2.621) 6.643 30.553 ( 4.766 -1.157 -2.563) 5.534 30.553 ( 4.766 1.157 -2.563) 5.534 30.770 ( 5.608 -3.421 -3.642) 7.511 30.770 ( 5.608 3.421 -3.642) 7.511 31.406 ( -0.516 -6.942 2.924) 7.551 31.406 ( -0.516 6.942 2.924) 7.551 31.854 ( -9.435 -6.783 -6.214) 13.177 31.854 ( -9.435 6.783 -6.214) 13.177 31.908 ( -5.367 -5.123 -4.177) 8.515 31.908 ( -5.367 5.123 -4.177) 8.515 32.077 ( -1.540 -12.084 -15.593) 19.787 32.077 ( -1.540 12.084 -15.593) 19.787 32.326 ( 11.661 -1.032 0.502) 11.717 32.326 ( 11.661 1.032 0.502) 11.717 32.586 ( 10.834 -2.967 -7.925) 13.747 32.586 ( 10.834 2.967 -7.925) 13.747 33.325 ( -2.646 -0.615 1.589) 3.147 33.325 ( -2.646 0.615 1.589) 3.147 33.626 ( -3.640 -1.765 -5.849) 7.112 33.626 ( -3.640 1.765 -5.849) 7.112 34.635 ( -2.235 -1.895 0.456) 2.965 34.635 ( -2.235 1.895 0.456) 2.965 34.767 ( 2.988 -0.858 1.373) 3.398 34.767 ( 2.988 0.858 1.373) 3.398 35.329 ( 1.948 -3.504 -0.392) 4.028 35.329 ( 1.948 3.504 -0.392) 4.028 35.363 ( 2.864 -2.688 -0.849) 4.018 35.363 ( 2.864 2.688 -0.849) 4.018 35.549 ( 2.919 -0.775 7.133) 7.746 35.549 ( 2.919 0.775 7.133) 7.746 35.817 ( 1.277 -0.989 -6.327) 6.530 35.817 ( 1.277 0.989 -6.327) 6.530 36.958 ( -10.522 -20.205 30.481) 38.053 36.958 ( -10.522 20.205 30.481) 38.053 37.872 ( -12.214 -12.605 -8.077) 19.321 37.872 ( -12.214 12.605 -8.077) 19.321 ======================= Grid point 65 (34/63) ======================= q-point: ( 0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 3.074 -2.016 1.729) 4.062 1.143 ( 3.074 2.016 1.729) 4.062 1.219 ( 4.377 -2.707 -1.207) 5.286 1.219 ( 4.377 2.707 -1.207) 5.286 1.554 ( 4.876 -2.600 3.701) 6.651 1.554 ( 4.876 2.600 3.701) 6.651 1.699 ( 2.605 -4.259 4.572) 6.770 1.699 ( 2.605 4.259 4.572) 6.770 1.773 ( 2.166 -2.440 1.667) 3.664 1.773 ( 2.166 2.440 1.667) 3.664 1.922 ( -3.261 -9.972 -3.561) 11.079 1.922 ( -3.261 9.972 -3.561) 11.079 2.094 ( 4.104 -6.497 -3.276) 8.354 2.094 ( 4.104 6.497 -3.276) 8.354 2.382 ( 8.097 -3.666 2.705) 9.291 2.382 ( 8.097 3.666 2.705) 9.291 2.445 ( -7.797 -5.582 2.348) 9.872 2.445 ( -7.797 5.582 2.348) 9.872 2.659 ( -2.911 -2.830 -2.302) 4.667 2.659 ( -2.911 2.830 -2.302) 4.667 2.765 ( 2.657 -2.229 4.483) 5.668 2.765 ( 2.657 2.229 4.483) 5.668 2.898 ( 2.415 -3.742 0.929) 4.550 2.898 ( 2.415 3.742 0.929) 4.550 3.137 ( 6.117 -0.964 0.634) 6.225 3.137 ( 6.117 0.964 0.634) 6.225 3.168 ( 13.237 -5.187 4.025) 14.776 3.168 ( 13.237 5.187 4.025) 14.776 3.339 ( 7.888 -3.873 1.502) 8.916 3.339 ( 7.888 3.873 1.502) 8.916 3.439 ( 6.298 -4.060 -2.732) 7.976 3.439 ( 6.298 4.060 -2.732) 7.976 3.685 ( 10.389 -3.092 -0.612) 10.857 3.685 ( 10.389 3.092 -0.612) 10.857 3.783 ( -1.590 -4.840 -0.295) 5.103 3.783 ( -1.590 4.840 -0.295) 5.103 3.967 ( -2.712 -4.741 -5.099) 7.472 3.967 ( -2.712 4.741 -5.099) 7.472 4.141 ( -6.360 -4.335 0.211) 7.700 4.141 ( -6.360 4.335 0.211) 7.700 4.274 ( -3.193 -4.793 -1.335) 5.912 4.274 ( -3.193 4.793 -1.335) 5.912 4.435 ( 0.925 -3.478 4.361) 5.655 4.435 ( 0.925 3.478 4.361) 5.655 4.590 ( 1.212 -4.760 0.458) 4.933 4.590 ( 1.212 4.760 0.458) 4.933 4.713 ( -0.459 -5.736 0.668) 5.793 4.713 ( -0.459 5.736 0.668) 5.793 4.908 ( 1.655 -1.468 0.222) 2.224 4.908 ( 1.655 1.468 0.222) 2.224 4.996 ( -0.870 -4.907 0.161) 4.986 4.996 ( -0.870 4.907 0.161) 4.986 5.122 ( -4.646 -0.844 -1.663) 5.006 5.122 ( -4.646 0.844 -1.663) 5.006 5.221 ( -2.510 -4.946 -5.159) 7.575 5.221 ( -2.510 4.946 -5.159) 7.575 5.417 ( 0.463 -1.897 0.306) 1.977 5.417 ( 0.463 1.897 0.306) 1.977 5.546 ( -4.831 -5.056 0.209) 6.996 5.546 ( -4.831 5.056 0.209) 6.996 5.746 ( 5.412 -2.798 -1.930) 6.391 5.746 ( 5.412 2.798 -1.930) 6.391 5.826 ( -1.553 -6.653 -1.203) 6.937 5.826 ( -1.553 6.653 -1.203) 6.937 6.326 ( 4.487 -3.270 1.885) 5.864 6.326 ( 4.487 3.270 1.885) 5.864 6.424 ( 1.753 -2.442 1.248) 3.254 6.424 ( 1.753 2.442 1.248) 3.254 6.682 ( 1.723 -4.832 2.387) 5.658 6.682 ( 1.723 4.832 2.387) 5.658 6.903 ( 3.728 -2.361 -1.699) 4.728 6.903 ( 3.728 2.361 -1.699) 4.728 6.960 ( -5.338 -1.804 -0.699) 5.678 6.960 ( -5.338 1.804 -0.699) 5.678 7.214 ( -3.385 -7.016 0.020) 7.790 7.214 ( -3.385 7.016 0.020) 7.790 7.994 ( -17.144 -6.375 -1.106) 18.325 7.994 ( -17.144 6.375 -1.106) 18.325 8.118 ( -10.771 -7.717 -0.570) 13.262 8.118 ( -10.771 7.717 -0.570) 13.262 8.786 ( 1.485 -1.461 -1.226) 2.417 8.786 ( 1.485 1.461 -1.226) 2.417 8.887 ( -0.371 -2.947 0.640) 3.038 8.887 ( -0.371 2.947 0.640) 3.038 9.048 ( 3.196 -2.712 0.971) 4.303 9.048 ( 3.196 2.712 0.971) 4.303 9.110 ( 3.290 -1.442 -0.117) 3.594 9.110 ( 3.290 1.442 -0.117) 3.594 9.294 ( 5.165 -1.675 3.059) 6.232 9.294 ( 5.165 1.675 3.059) 6.232 9.391 ( 5.355 -1.264 -2.147) 5.907 9.391 ( 5.355 1.264 -2.147) 5.907 9.795 ( -6.621 -0.769 -0.586) 6.692 9.795 ( -6.621 0.769 -0.586) 6.692 9.910 ( -5.903 -2.851 -0.281) 6.562 9.910 ( -5.903 2.851 -0.281) 6.562 10.122 ( -7.558 -3.960 0.862) 8.577 10.122 ( -7.558 3.960 0.862) 8.577 10.251 ( -7.341 -1.225 -1.016) 7.511 10.251 ( -7.341 1.225 -1.016) 7.511 10.600 ( -4.747 -5.333 1.464) 7.288 10.600 ( -4.747 5.333 1.464) 7.288 10.727 ( -3.062 -5.045 -0.830) 5.959 10.727 ( -3.062 5.045 -0.830) 5.959 11.367 ( 9.444 -0.376 -0.946) 9.499 11.367 ( 9.444 0.376 -0.946) 9.499 11.466 ( 8.171 -1.944 1.297) 8.499 11.466 ( 8.171 1.944 1.297) 8.499 11.979 ( 0.350 -4.407 1.878) 4.804 11.979 ( 0.350 4.407 1.878) 4.804 12.047 ( 2.109 -2.416 -1.452) 3.520 12.047 ( 2.109 2.416 -1.452) 3.520 12.182 ( -3.268 -3.076 0.717) 4.545 12.182 ( -3.268 3.076 0.717) 4.545 12.266 ( -0.247 -2.804 -1.381) 3.136 12.266 ( -0.247 2.804 -1.381) 3.136 12.616 ( 0.966 -4.607 1.378) 4.905 12.616 ( 0.966 4.607 1.378) 4.905 12.684 ( -0.196 -4.583 -0.791) 4.655 12.684 ( -0.196 4.583 -0.791) 4.655 13.276 ( 6.863 -5.922 -0.142) 9.066 13.276 ( 6.863 5.922 -0.142) 9.066 13.322 ( 6.142 -7.643 0.087) 9.805 13.322 ( 6.142 7.643 0.087) 9.805 13.923 ( -4.103 -5.303 0.301) 6.712 13.923 ( -4.103 5.303 0.301) 6.712 13.974 ( -1.427 -5.920 -0.257) 6.095 13.974 ( -1.427 5.920 -0.257) 6.095 14.355 ( -2.400 -3.881 1.209) 4.721 14.355 ( -2.400 3.881 1.209) 4.721 14.474 ( 0.507 -3.704 -1.704) 4.108 14.474 ( 0.507 3.704 -1.704) 4.108 14.928 ( 2.016 -10.001 4.205) 11.034 14.928 ( 2.016 10.001 4.205) 11.034 15.105 ( 5.994 -5.303 -2.439) 8.366 15.105 ( 5.994 5.303 -2.439) 8.366 15.243 ( 5.898 -1.073 0.585) 6.023 15.243 ( 5.898 1.073 0.585) 6.023 15.347 ( 2.773 -2.336 -2.591) 4.456 15.347 ( 2.773 2.336 -2.591) 4.456 15.733 ( 2.335 -0.789 -4.661) 5.273 15.733 ( 2.335 0.789 -4.661) 5.273 15.756 ( 2.977 -1.388 3.231) 4.608 15.756 ( 2.977 1.388 3.231) 4.608 16.283 ( 0.871 -1.319 -0.828) 1.785 16.283 ( 0.871 1.319 -0.828) 1.785 16.349 ( 2.143 -1.430 1.437) 2.950 16.349 ( 2.143 1.430 1.437) 2.950 17.170 ( 0.357 -0.930 0.041) 0.998 17.170 ( 0.357 0.930 0.041) 0.998 17.230 ( -0.088 -1.400 -0.262) 1.427 17.230 ( -0.088 1.400 -0.262) 1.427 19.674 ( 5.907 -1.528 -1.047) 6.191 19.674 ( 5.907 1.528 -1.047) 6.191 19.889 ( 6.539 -0.275 0.514) 6.565 19.889 ( 6.539 0.275 0.514) 6.565 20.421 ( -9.692 -2.046 1.519) 10.021 20.421 ( -9.692 2.046 1.519) 10.021 20.690 ( -6.261 -2.272 -1.162) 6.761 20.690 ( -6.261 2.272 -1.162) 6.761 21.852 ( 9.933 -0.704 -2.066) 10.170 21.852 ( 9.933 0.704 -2.066) 10.170 21.918 ( 9.939 -1.069 2.010) 10.197 21.918 ( 9.939 1.069 2.010) 10.197 22.787 ( -6.493 -2.878 -1.354) 7.230 22.787 ( -6.493 2.878 -1.354) 7.230 22.984 ( -11.330 -1.497 1.543) 11.532 22.984 ( -11.330 1.497 1.543) 11.532 26.910 ( 20.636 -2.014 1.212) 20.770 26.910 ( 20.636 2.014 1.212) 20.770 27.037 ( 21.171 -3.069 -2.071) 21.493 27.037 ( 21.171 3.069 -2.071) 21.493 28.732 ( -22.333 -7.213 0.400) 23.472 28.732 ( -22.333 7.213 0.400) 23.472 28.841 ( -23.235 -5.536 -0.637) 23.894 28.841 ( -23.235 5.536 -0.637) 23.894 30.271 ( 9.935 -7.137 1.866) 12.374 30.271 ( 9.935 7.137 1.866) 12.374 30.465 ( 5.034 -6.457 0.995) 8.248 30.465 ( 5.034 6.457 0.995) 8.248 30.646 ( 8.529 -3.505 -1.296) 9.311 30.646 ( 8.529 3.505 -1.296) 9.311 30.843 ( 6.742 -5.386 -1.602) 8.777 30.843 ( 6.742 5.386 -1.602) 8.777 31.399 ( -5.538 -9.026 2.170) 10.810 31.399 ( -5.538 9.026 2.170) 10.810 31.577 ( -10.750 -7.810 -4.749) 14.111 31.577 ( -10.750 7.810 -4.749) 14.111 31.858 ( 1.310 -5.575 1.135) 5.838 31.858 ( 1.310 5.575 1.135) 5.838 31.949 ( 1.390 -6.338 -6.036) 8.862 31.949 ( 1.390 6.338 -6.036) 8.862 32.552 ( 11.166 -1.315 2.680) 11.558 32.552 ( 11.166 1.315 2.680) 11.558 32.751 ( 12.975 -0.854 -2.496) 13.241 32.751 ( 12.975 0.854 -2.496) 13.241 33.291 ( -4.217 -0.454 1.671) 4.558 33.291 ( -4.217 0.454 1.671) 4.558 33.492 ( -5.792 -0.276 -2.019) 6.140 33.492 ( -5.792 0.276 -2.019) 6.140 34.577 ( -3.018 -2.045 -1.500) 3.942 34.577 ( -3.018 2.045 -1.500) 3.942 34.833 ( 2.685 -1.072 0.965) 3.048 34.833 ( 2.685 1.072 0.965) 3.048 35.349 ( 1.365 -4.816 -0.970) 5.098 35.349 ( 1.365 4.816 -0.970) 5.098 35.400 ( 2.497 -3.147 -1.037) 4.149 35.400 ( 2.497 3.147 -1.037) 4.149 35.709 ( 5.215 -0.413 4.542) 6.928 35.709 ( 5.215 0.413 4.542) 6.928 35.781 ( 3.842 -0.978 -4.319) 5.862 35.781 ( 3.842 0.978 -4.319) 5.862 37.031 ( -12.661 -7.925 13.944) 20.433 37.031 ( -12.661 7.925 13.944) 20.433 37.499 ( -17.901 -8.969 -6.816) 21.150 37.499 ( -17.901 8.969 -6.816) 21.150 ======================= Grid point 67 (35/63) ======================= q-point: ( 0.38 -0.50 -0.80) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.182 ( 0.572 -0.575 -0.448) 0.926 1.182 ( 0.572 0.575 -0.448) 0.926 1.261 ( 1.643 -1.458 -0.672) 2.297 1.261 ( 1.643 1.458 -0.672) 2.297 1.553 ( 3.153 -4.435 -4.283) 6.925 1.553 ( 3.153 4.435 -4.283) 6.925 1.754 ( -2.313 -4.268 -3.289) 5.864 1.754 ( -2.313 4.268 -3.289) 5.864 1.822 ( 2.077 -2.437 -0.001) 3.202 1.822 ( 2.077 2.437 -0.001) 3.202 1.907 ( -1.771 -4.865 6.732) 8.493 1.907 ( -1.771 4.865 6.732) 8.493 2.201 ( 8.101 -4.562 -0.066) 9.298 2.201 ( 8.101 4.562 -0.066) 9.298 2.328 ( -3.011 -6.395 1.579) 7.242 2.328 ( -3.011 6.395 1.579) 7.242 2.491 ( -3.546 -5.137 -2.250) 6.635 2.491 ( -3.546 5.137 -2.250) 6.635 2.682 ( 6.988 -6.704 3.280) 10.224 2.682 ( 6.988 6.704 3.280) 10.224 2.889 ( 9.716 -3.036 -2.973) 10.605 2.889 ( 9.716 3.036 -2.973) 10.605 2.985 ( 4.795 -3.501 3.354) 6.819 2.985 ( 4.795 3.501 3.354) 6.819 3.259 ( 5.323 -2.903 -0.984) 6.143 3.259 ( 5.323 2.903 -0.984) 6.143 3.326 ( -2.778 -3.911 -0.362) 4.811 3.326 ( -2.778 3.911 -0.362) 4.811 3.384 ( 3.861 -4.861 -2.594) 6.728 3.384 ( 3.861 4.861 -2.594) 6.728 3.559 ( -0.692 -5.068 -1.124) 5.237 3.559 ( -0.692 5.068 -1.124) 5.237 3.688 ( 5.839 -2.415 -3.225) 7.094 3.688 ( 5.839 2.415 -3.225) 7.094 3.805 ( 3.236 -3.022 -0.458) 4.451 3.805 ( 3.236 3.022 -0.458) 4.451 3.886 ( 0.303 -5.656 -1.542) 5.870 3.886 ( 0.303 5.656 -1.542) 5.870 4.098 ( -0.578 -1.321 4.257) 4.495 4.098 ( -0.578 1.321 4.257) 4.495 4.256 ( -1.072 -2.289 2.102) 3.287 4.256 ( -1.072 2.289 2.102) 3.287 4.449 ( -3.374 -5.567 0.831) 6.563 4.449 ( -3.374 5.567 0.831) 6.563 4.657 ( 1.121 -7.503 0.668) 7.616 4.657 ( 1.121 7.503 0.668) 7.616 4.708 ( 0.323 -2.685 0.021) 2.704 4.708 ( 0.323 2.685 0.021) 2.704 4.904 ( -3.233 -4.610 -2.130) 6.020 4.904 ( -3.233 4.610 -2.130) 6.020 4.937 ( 1.215 -0.431 -2.738) 3.026 4.937 ( 1.215 0.431 -2.738) 3.026 5.093 ( -1.776 -8.586 2.433) 9.099 5.093 ( -1.776 8.586 2.433) 9.099 5.171 ( -0.177 -2.445 2.594) 3.569 5.171 ( -0.177 2.445 2.594) 3.569 5.422 ( -2.352 -9.831 0.026) 10.108 5.422 ( -2.352 9.831 0.026) 10.108 5.508 ( 0.206 -7.626 2.977) 8.189 5.508 ( 0.206 7.626 2.977) 8.189 5.731 ( -3.837 -10.848 -0.631) 11.524 5.731 ( -3.837 10.848 -0.631) 11.524 5.826 ( 3.079 -2.325 -1.984) 4.339 5.826 ( 3.079 2.325 -1.984) 4.339 6.389 ( 1.941 -4.364 -1.329) 4.958 6.389 ( 1.941 4.364 -1.329) 4.958 6.492 ( 6.075 -1.887 -0.962) 6.433 6.492 ( 6.075 1.887 -0.962) 6.433 6.749 ( 0.899 -4.094 2.800) 5.041 6.749 ( 0.899 4.094 2.800) 5.041 6.851 ( -3.403 -1.082 -0.550) 3.613 6.851 ( -3.403 1.082 -0.550) 3.613 6.975 ( 3.674 -3.170 -0.293) 4.861 6.975 ( 3.674 3.170 -0.293) 4.861 7.133 ( -5.372 -5.343 -0.107) 7.577 7.133 ( -5.372 5.343 -0.107) 7.577 7.734 ( -10.703 -6.396 0.417) 12.476 7.734 ( -10.703 6.396 0.417) 12.476 7.952 ( -6.571 -7.069 -1.101) 9.714 7.952 ( -6.571 7.069 -1.101) 9.714 8.799 ( 1.468 -0.844 -1.184) 2.066 8.799 ( 1.468 0.844 -1.184) 2.066 8.898 ( 0.244 -2.591 1.051) 2.806 8.898 ( 0.244 2.591 1.051) 2.806 9.098 ( 2.306 -2.182 0.050) 3.175 9.098 ( 2.306 2.182 0.050) 3.175 9.161 ( 1.414 -1.890 1.287) 2.689 9.161 ( 1.414 1.890 1.287) 2.689 9.365 ( 1.627 -0.441 0.795) 1.864 9.365 ( 1.627 0.441 0.795) 1.864 9.496 ( 4.863 -1.061 0.992) 5.075 9.496 ( 4.863 1.061 0.992) 5.075 9.633 ( -7.365 -1.836 -0.621) 7.616 9.633 ( -7.365 1.836 -0.621) 7.616 9.799 ( -6.480 -1.549 -1.228) 6.775 9.799 ( -6.480 1.549 -1.228) 6.775 10.008 ( -3.719 -3.247 -3.005) 5.780 10.008 ( -3.719 3.247 -3.005) 5.780 10.176 ( -2.738 -1.990 1.682) 3.780 10.176 ( -2.738 1.990 1.682) 3.780 10.569 ( -1.185 -4.182 1.709) 4.670 10.569 ( -1.185 4.182 1.709) 4.670 10.673 ( -2.146 -3.043 -0.489) 3.756 10.673 ( -2.146 3.043 -0.489) 3.756 11.493 ( 5.020 -1.831 0.186) 5.347 11.493 ( 5.020 1.831 0.186) 5.347 11.575 ( 3.494 -1.146 0.308) 3.690 11.575 ( 3.494 1.146 0.308) 3.690 11.974 ( -1.509 -1.591 0.240) 2.206 11.974 ( -1.509 1.591 0.240) 2.206 12.052 ( -0.093 -2.552 -1.500) 2.961 12.052 ( -0.093 2.552 -1.500) 2.961 12.186 ( 2.564 -2.444 1.175) 3.732 12.186 ( 2.564 2.444 1.175) 3.732 12.277 ( 2.200 -0.781 -0.738) 2.449 12.277 ( 2.200 0.781 -0.738) 2.449 12.612 ( -2.504 -3.031 -0.196) 3.936 12.612 ( -2.504 3.031 -0.196) 3.936 12.672 ( -0.329 -2.719 0.075) 2.740 12.672 ( -0.329 2.719 0.075) 2.740 13.374 ( 4.247 -5.189 -0.081) 6.706 13.374 ( 4.247 5.189 -0.081) 6.706 13.403 ( 3.020 -6.394 0.041) 7.072 13.403 ( 3.020 6.394 0.041) 7.072 13.919 ( 2.994 -3.129 0.130) 4.332 13.919 ( 2.994 3.129 0.130) 4.332 14.004 ( 4.026 -6.241 0.104) 7.428 14.004 ( 4.026 6.241 0.104) 7.428 14.279 ( -6.446 -3.992 0.690) 7.614 14.279 ( -6.446 3.992 0.690) 7.614 14.411 ( -4.693 -3.716 -1.747) 6.236 14.411 ( -4.693 3.716 -1.747) 6.236 14.962 ( -2.198 -5.997 2.627) 6.906 14.962 ( -2.198 5.997 2.627) 6.906 15.073 ( -1.633 -4.454 -2.019) 5.156 15.073 ( -1.633 4.454 -2.019) 5.156 15.386 ( 6.506 -2.267 -0.602) 6.916 15.386 ( 6.506 2.267 -0.602) 6.916 15.433 ( 6.527 -2.874 0.349) 7.140 15.433 ( 6.527 2.874 0.349) 7.140 15.737 ( 3.695 -1.349 -2.340) 4.578 15.737 ( 3.695 1.349 -2.340) 4.578 15.859 ( 2.634 -1.834 2.605) 4.134 15.859 ( 2.634 1.834 2.605) 4.134 16.272 ( -1.079 -0.694 0.207) 1.300 16.272 ( -1.079 0.694 0.207) 1.300 16.372 ( -0.773 -0.666 0.549) 1.159 16.372 ( -0.773 0.666 0.549) 1.159 17.185 ( 1.264 -1.621 -0.092) 2.058 17.185 ( 1.264 1.621 -0.092) 2.058 17.220 ( -0.610 -0.655 -0.360) 0.964 17.220 ( -0.610 0.655 -0.360) 0.964 19.797 ( 9.046 -0.328 -0.358) 9.059 19.797 ( 9.046 0.328 -0.358) 9.059 20.014 ( 5.413 -1.071 0.885) 5.589 20.014 ( 5.413 1.071 0.885) 5.589 20.267 ( -9.806 -1.655 2.061) 10.156 20.267 ( -9.806 1.655 2.061) 10.156 20.564 ( -6.061 -2.387 -0.766) 6.559 20.564 ( -6.061 2.387 -0.766) 6.559 22.018 ( 10.699 -0.953 -0.665) 10.761 22.018 ( 10.699 0.953 -0.665) 10.761 22.099 ( 8.160 -1.192 0.465) 8.260 22.099 ( 8.160 1.192 0.465) 8.260 22.650 ( -7.258 -3.159 -0.831) 7.960 22.650 ( -7.258 3.159 -0.831) 7.960 22.812 ( -9.398 -1.656 0.677) 9.567 22.812 ( -9.398 1.656 0.677) 9.567 27.277 ( 20.350 -4.764 -1.242) 20.937 27.277 ( 20.350 4.764 -1.242) 20.937 27.405 ( 19.960 -7.720 2.447) 21.540 27.405 ( 19.960 7.720 2.447) 21.540 28.376 ( -19.392 -7.733 1.329) 20.920 28.376 ( -19.392 7.733 1.329) 20.920 28.417 ( -22.447 -6.286 -1.466) 23.356 28.417 ( -22.447 6.286 -1.466) 23.356 30.411 ( 6.209 -5.795 -0.788) 8.530 30.411 ( 6.209 5.795 -0.788) 8.530 30.552 ( 3.129 -3.517 -0.178) 4.711 30.552 ( 3.129 3.517 -0.178) 4.711 30.781 ( 6.432 -4.959 1.196) 8.209 30.781 ( 6.432 4.959 1.196) 8.209 30.967 ( 7.414 -5.664 1.178) 9.404 30.967 ( 7.414 5.664 1.178) 9.404 31.260 ( -8.328 -5.473 -2.024) 10.169 31.260 ( -8.328 5.473 -2.024) 10.169 31.415 ( -8.372 -3.122 4.369) 9.946 31.415 ( -8.372 3.122 4.369) 9.946 31.911 ( 1.341 -5.032 0.260) 5.214 31.911 ( 1.341 5.032 0.260) 5.214 31.982 ( 3.699 -5.921 4.672) 8.400 31.982 ( 3.699 5.921 4.672) 8.400 32.743 ( 6.479 -1.744 1.566) 6.890 32.743 ( 6.479 1.744 1.566) 6.890 32.938 ( 11.228 -1.273 -1.269) 11.371 32.938 ( 11.228 1.273 -1.269) 11.371 33.219 ( -4.257 -1.204 -0.507) 4.453 33.219 ( -4.257 1.204 -0.507) 4.453 33.385 ( -6.968 -1.482 2.209) 7.459 33.385 ( -6.968 1.482 2.209) 7.459 34.520 ( -1.221 -1.597 -0.852) 2.183 34.520 ( -1.221 1.597 -0.852) 2.183 34.870 ( 1.538 -0.898 -1.428) 2.283 34.870 ( 1.538 0.898 -1.428) 2.283 35.358 ( 0.778 -5.448 0.046) 5.504 35.358 ( 0.778 5.448 0.046) 5.504 35.422 ( 1.441 -3.567 -0.704) 3.911 35.422 ( 1.441 3.567 -0.704) 3.911 35.740 ( 6.319 -2.730 -9.454) 11.694 35.740 ( 6.319 2.730 -9.454) 11.694 35.892 ( 2.220 -1.820 3.325) 4.393 35.892 ( 2.220 1.820 3.325) 4.393 36.888 ( -7.340 -5.123 -3.148) 9.488 36.888 ( -7.340 5.123 -3.148) 9.488 37.193 ( -14.439 -1.363 3.130) 14.837 37.193 ( -14.439 1.363 3.130) 14.837 ======================= Grid point 69 (36/63) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( -0.214 -0.644 -0.686) 0.965 1.175 ( -0.214 0.644 -0.686) 0.965 1.265 ( 0.636 -0.345 -1.519) 1.683 1.265 ( 0.636 0.345 -1.519) 1.683 1.572 ( -1.411 -4.372 -3.022) 5.499 1.572 ( -1.411 4.372 -3.022) 5.499 1.728 ( 2.593 -1.673 -0.961) 3.231 1.728 ( 2.593 1.673 -0.961) 3.231 1.829 ( -0.185 -0.399 0.811) 0.922 1.829 ( -0.185 0.399 0.811) 0.922 1.936 ( 0.880 -1.709 4.963) 5.322 1.936 ( 0.880 1.709 4.963) 5.322 2.202 ( -0.628 -5.077 -3.625) 6.270 2.202 ( -0.628 5.077 -3.625) 6.270 2.338 ( -5.937 -3.331 2.273) 7.177 2.338 ( -5.937 3.331 2.273) 7.177 2.464 ( 5.581 -5.534 -2.146) 8.147 2.464 ( 5.581 5.534 -2.146) 8.147 2.725 ( -4.645 -4.059 2.620) 6.702 2.725 ( -4.645 4.059 2.620) 6.702 2.934 ( -10.685 -5.866 -6.028) 13.598 2.934 ( -10.685 5.866 -6.028) 13.598 3.061 ( 0.288 -4.531 -4.114) 6.126 3.061 ( 0.288 4.531 -4.114) 6.126 3.191 ( 7.896 -4.891 -0.027) 9.288 3.191 ( 7.896 4.891 -0.027) 9.288 3.229 ( -3.370 -2.454 -6.640) 7.841 3.229 ( -3.370 2.454 -6.640) 7.841 3.446 ( -0.631 -2.278 -0.246) 2.377 3.446 ( -0.631 2.278 -0.246) 2.377 3.547 ( 6.513 -9.949 -0.657) 11.909 3.547 ( 6.513 9.949 -0.657) 11.909 3.807 ( -0.658 -4.365 0.129) 4.416 3.807 ( -0.658 4.365 0.129) 4.416 3.844 ( 6.011 -2.912 4.537) 8.074 3.844 ( 6.011 2.912 4.537) 8.074 3.967 ( 1.532 -1.199 3.996) 4.445 3.967 ( 1.532 1.199 3.996) 4.445 4.123 ( -5.665 -1.600 4.414) 7.358 4.123 ( -5.665 1.600 4.414) 7.358 4.265 ( 1.462 -3.298 0.529) 3.646 4.265 ( 1.462 3.298 0.529) 3.646 4.403 ( -1.438 -7.638 -0.372) 7.781 4.403 ( -1.438 7.638 -0.372) 7.781 4.586 ( -2.775 -3.321 -4.285) 6.090 4.586 ( -2.775 3.321 -4.285) 6.090 4.722 ( 0.419 -6.509 0.149) 6.524 4.722 ( 0.419 6.509 0.149) 6.524 4.878 ( 2.836 -2.076 -1.650) 3.883 4.878 ( 2.836 2.076 -1.650) 3.883 4.927 ( -1.319 -5.575 1.137) 5.841 4.927 ( -1.319 5.575 1.137) 5.841 5.068 ( 0.660 -11.562 -2.677) 11.887 5.068 ( 0.660 11.562 -2.677) 11.887 5.240 ( -0.346 -1.084 4.890) 5.020 5.240 ( -0.346 1.084 4.890) 5.020 5.393 ( -0.943 -4.798 2.417) 5.455 5.393 ( -0.943 4.798 2.417) 5.455 5.521 ( -1.994 -10.985 1.403) 11.252 5.521 ( -1.994 10.985 1.403) 11.252 5.727 ( 1.580 -9.172 2.187) 9.560 5.727 ( 1.580 9.172 2.187) 9.560 5.846 ( 2.091 -3.395 -1.115) 4.140 5.846 ( 2.091 3.395 -1.115) 4.140 6.385 ( 0.718 -4.505 -2.159) 5.047 6.385 ( 0.718 4.505 -2.159) 5.047 6.524 ( -0.843 -2.459 -3.702) 4.523 6.524 ( -0.843 2.459 -3.702) 4.523 6.783 ( -2.138 -1.528 2.357) 3.531 6.783 ( -2.138 1.528 2.357) 3.531 6.856 ( 2.720 -3.119 3.046) 5.138 6.856 ( 2.720 3.119 3.046) 5.138 6.975 ( -0.464 -4.062 -1.960) 4.534 6.975 ( -0.464 4.062 -1.960) 4.534 7.065 ( -1.553 -2.069 -0.967) 2.762 7.065 ( -1.553 2.069 -0.967) 2.762 7.679 ( 1.056 -6.215 3.643) 7.281 7.679 ( 1.056 6.215 3.643) 7.281 7.890 ( 1.196 -5.819 -1.163) 6.053 7.890 ( 1.196 5.819 -1.163) 6.053 8.798 ( 0.176 -0.513 -1.379) 1.481 8.798 ( 0.176 0.513 -1.379) 1.481 8.915 ( 0.016 -1.695 1.231) 2.094 8.915 ( 0.016 1.695 1.231) 2.094 9.130 ( 0.416 -1.039 0.182) 1.134 9.130 ( 0.416 1.039 0.182) 1.134 9.181 ( -0.702 -1.850 1.471) 2.466 9.181 ( -0.702 1.850 1.471) 2.466 9.402 ( -2.468 -0.621 1.939) 3.199 9.402 ( -2.468 0.621 1.939) 3.199 9.474 ( 1.877 -1.256 0.203) 2.268 9.474 ( 1.877 1.256 0.203) 2.268 9.603 ( -3.985 -1.055 -3.021) 5.111 9.603 ( -3.985 1.055 -3.021) 5.111 9.709 ( 3.019 -0.708 -0.681) 3.175 9.709 ( 3.019 0.708 -0.681) 3.175 9.980 ( 2.988 -0.630 -1.269) 3.307 9.980 ( 2.988 0.630 -1.269) 3.307 10.145 ( -1.697 -0.869 -0.065) 1.908 10.145 ( -1.697 0.869 -0.065) 1.908 10.575 ( -1.350 -3.751 1.774) 4.363 10.575 ( -1.350 3.751 1.774) 4.363 10.656 ( 0.837 -2.382 0.080) 2.526 10.656 ( 0.837 2.382 0.080) 2.526 11.535 ( -0.422 -2.545 0.747) 2.686 11.535 ( -0.422 2.545 0.747) 2.686 11.609 ( 0.074 -1.021 -0.051) 1.025 11.609 ( 0.074 1.021 -0.051) 1.025 11.954 ( -0.491 -0.917 -0.551) 1.177 11.954 ( -0.491 0.917 -0.551) 1.177 12.031 ( 0.776 -0.638 -1.716) 1.988 12.031 ( 0.776 0.638 -1.716) 1.988 12.219 ( -1.015 -2.665 0.257) 2.863 12.219 ( -1.015 2.665 0.257) 2.863 12.310 ( 0.946 -1.758 0.294) 2.018 12.310 ( 0.946 1.758 0.294) 2.018 12.582 ( 0.329 -1.998 0.050) 2.025 12.582 ( 0.329 1.998 0.050) 2.025 12.658 ( -0.496 -0.423 -0.652) 0.922 12.658 ( -0.496 0.423 -0.652) 0.922 13.409 ( -0.170 -3.659 -0.040) 3.663 13.409 ( -0.170 3.659 -0.040) 3.663 13.431 ( 0.256 -3.851 -0.010) 3.859 13.431 ( 0.256 3.851 -0.010) 3.859 13.971 ( 0.028 -1.760 0.665) 1.882 13.971 ( 0.028 1.760 0.665) 1.882 14.057 ( -0.170 -1.572 -0.580) 1.684 14.057 ( -0.170 1.572 -0.580) 1.684 14.202 ( -0.889 -5.105 0.739) 5.234 14.202 ( -0.889 5.105 0.739) 5.234 14.344 ( 1.431 -2.141 -1.468) 2.964 14.344 ( 1.431 2.141 -1.468) 2.964 14.938 ( -2.300 -2.098 0.619) 3.174 14.938 ( -2.300 2.098 0.619) 3.174 15.048 ( 1.319 -2.114 -1.176) 2.756 15.048 ( 1.319 2.114 -1.176) 2.756 15.442 ( 0.217 -0.940 -0.531) 1.102 15.442 ( 0.217 0.940 -0.531) 1.102 15.493 ( -0.155 -1.633 -0.002) 1.641 15.493 ( -0.155 1.633 -0.002) 1.641 15.795 ( 3.386 -1.627 0.679) 3.818 15.795 ( 3.386 1.627 0.679) 3.818 15.880 ( -2.426 -1.514 0.811) 2.972 15.880 ( -2.426 1.514 0.811) 2.972 16.266 ( -0.255 -0.968 1.055) 1.455 16.266 ( -0.255 0.968 1.055) 1.455 16.359 ( -0.098 -1.766 -0.470) 1.830 16.359 ( -0.098 1.766 -0.470) 1.830 17.190 ( -0.515 -1.362 -0.805) 1.664 17.190 ( -0.515 1.362 -0.805) 1.664 17.216 ( 0.730 -0.821 0.197) 1.116 17.216 ( 0.730 0.821 0.197) 1.116 19.934 ( 2.332 -0.687 0.087) 2.433 19.934 ( 2.332 0.687 0.087) 2.433 20.024 ( -0.863 -0.713 -0.301) 1.159 20.024 ( -0.863 0.713 -0.301) 1.159 20.189 ( -3.297 -0.937 2.934) 4.512 20.189 ( -3.297 0.937 2.934) 4.512 20.511 ( 1.375 -2.295 0.246) 2.687 20.511 ( 1.375 2.295 0.246) 2.687 22.139 ( 0.118 -3.781 0.482) 3.814 22.139 ( 0.118 3.781 0.482) 3.814 22.175 ( 0.118 -3.683 -0.243) 3.693 22.175 ( 0.118 3.683 -0.243) 3.693 22.567 ( 0.959 -1.970 -0.783) 2.327 22.567 ( 0.959 1.970 -0.783) 2.327 22.717 ( -1.045 -1.096 0.300) 1.544 22.717 ( -1.045 1.096 0.300) 1.544 27.512 ( 1.299 -5.972 0.460) 6.129 27.512 ( 1.299 5.972 0.460) 6.129 27.616 ( -2.141 -7.672 -0.256) 7.969 27.616 ( -2.141 7.672 -0.256) 7.969 28.137 ( -0.343 -1.913 -0.598) 2.033 28.137 ( -0.343 1.913 -0.598) 2.033 28.221 ( 1.360 -2.514 2.754) 3.969 28.221 ( 1.360 2.514 2.754) 3.969 30.455 ( -0.308 -3.384 -1.040) 3.554 30.455 ( -0.308 3.384 -1.040) 3.554 30.561 ( -0.360 -1.273 -1.723) 2.173 30.561 ( -0.360 1.273 -1.723) 2.173 30.881 ( 1.327 -1.492 3.065) 3.658 30.881 ( 1.327 1.492 3.065) 3.658 31.028 ( -3.342 -1.625 -1.344) 3.952 31.028 ( -3.342 1.625 -1.344) 3.952 31.191 ( 3.246 -1.306 1.086) 3.663 31.191 ( 3.246 1.306 1.086) 3.663 31.395 ( -0.586 -3.205 6.752) 7.497 31.395 ( -0.586 3.205 6.752) 7.497 31.937 ( -1.044 -4.197 2.982) 5.253 31.937 ( -1.044 4.197 2.982) 5.253 32.112 ( 1.477 -4.743 8.911) 10.202 32.112 ( 1.477 4.743 8.911) 10.202 32.770 ( -2.231 -1.615 -2.626) 3.805 32.770 ( -2.231 1.615 -2.626) 3.805 33.083 ( 3.218 -0.684 0.531) 3.332 33.083 ( 3.218 0.684 0.531) 3.332 33.168 ( -1.305 -1.546 0.665) 2.130 33.168 ( -1.305 1.546 0.665) 2.130 33.321 ( -0.871 -0.721 2.123) 2.406 33.321 ( -0.871 0.721 2.123) 2.406 34.527 ( 1.292 -1.405 1.658) 2.528 34.527 ( 1.292 1.405 1.658) 2.528 34.848 ( -0.034 -0.559 -3.809) 3.850 34.848 ( -0.034 0.559 -3.809) 3.850 35.373 ( 0.516 -3.183 -0.474) 3.259 35.373 ( 0.516 3.183 -0.474) 3.259 35.443 ( 1.030 -3.633 1.313) 3.997 35.443 ( 1.030 3.633 1.313) 3.997 35.721 ( 5.995 -3.275 -11.504) 13.379 35.721 ( 5.995 3.275 -11.504) 13.379 35.824 ( -5.474 -2.651 -6.711) 9.057 35.824 ( -5.474 2.651 -6.711) 9.057 36.833 ( -6.354 -1.525 3.296) 7.319 36.833 ( -6.354 1.525 3.296) 7.319 37.073 ( 4.186 -4.947 0.133) 6.482 37.073 ( 4.186 4.947 0.133) 6.482 ======================= Grid point 71 (37/63) ======================= q-point: (-0.38 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.140 ( -2.949 -3.275 -1.097) 4.542 1.140 ( -2.949 3.275 -1.097) 4.542 1.239 ( -0.928 -0.580 -2.779) 2.987 1.239 ( -0.928 0.580 -2.779) 2.987 1.470 ( -5.286 -2.610 -0.944) 5.971 1.470 ( -5.286 2.610 -0.944) 5.971 1.686 ( -2.081 -0.537 -2.112) 3.013 1.686 ( -2.081 0.537 -2.112) 3.013 1.810 ( -4.226 -2.387 -0.938) 4.943 1.810 ( -4.226 2.387 -0.938) 4.943 2.038 ( -4.553 -4.326 3.301) 7.095 2.038 ( -4.553 4.326 3.301) 7.095 2.212 ( 6.683 -5.389 1.678) 8.748 2.212 ( 6.683 5.389 1.678) 8.748 2.312 ( -2.011 -1.997 -5.995) 6.631 2.312 ( -2.011 1.997 -5.995) 6.631 2.405 ( -7.324 -3.979 1.065) 8.403 2.405 ( -7.324 3.979 1.065) 8.403 2.607 ( -3.688 -4.922 -0.432) 6.165 2.607 ( -3.688 4.922 -0.432) 6.165 2.754 ( -0.514 -4.637 3.460) 5.808 2.754 ( -0.514 4.637 3.460) 5.808 2.996 ( -9.503 -4.000 -2.255) 10.554 2.996 ( -9.503 4.000 -2.255) 10.554 3.063 ( -3.721 -6.398 -3.288) 8.099 3.063 ( -3.721 6.398 -3.288) 8.099 3.249 ( -1.119 -5.019 -1.571) 5.377 3.249 ( -1.119 5.019 -1.571) 5.377 3.459 ( 2.506 -6.497 -1.562) 7.137 3.459 ( 2.506 6.497 -1.562) 7.137 3.597 ( -4.446 -8.331 -0.765) 9.474 3.597 ( -4.446 8.331 -0.765) 9.474 3.781 ( -3.196 -4.518 -3.773) 6.698 3.781 ( -3.196 4.518 -3.773) 6.698 3.877 ( -5.245 -7.850 0.450) 9.451 3.877 ( -5.245 7.850 0.450) 9.451 3.950 ( -3.344 -5.471 4.508) 7.839 3.950 ( -3.344 5.471 4.508) 7.839 4.114 ( -1.694 -1.749 4.718) 5.309 4.114 ( -1.694 1.749 4.718) 5.309 4.280 ( 2.115 -3.690 -3.277) 5.369 4.280 ( 2.115 3.690 -3.277) 5.369 4.414 ( 3.159 -2.476 -0.046) 4.014 4.414 ( 3.159 2.476 -0.046) 4.014 4.555 ( 0.913 -2.158 0.745) 2.459 4.555 ( 0.913 2.158 0.745) 2.459 4.723 ( 1.164 -3.004 -1.106) 3.406 4.723 ( 1.164 3.004 -1.106) 3.406 4.900 ( -2.628 -3.169 3.521) 5.418 4.900 ( -2.628 3.169 3.521) 5.418 4.938 ( 2.118 -3.571 -1.340) 4.363 4.938 ( 2.118 3.571 -1.340) 4.363 5.105 ( 7.388 -2.495 -1.838) 8.011 5.105 ( 7.388 2.495 -1.838) 8.011 5.291 ( 3.200 -3.969 2.493) 5.675 5.291 ( 3.200 3.969 2.493) 5.675 5.442 ( 0.250 -6.686 4.112) 7.853 5.442 ( 0.250 6.686 4.112) 7.853 5.549 ( 1.690 -10.248 3.567) 10.982 5.549 ( 1.690 10.248 3.567) 10.982 5.744 ( -0.882 -7.422 -1.333) 7.592 5.744 ( -0.882 7.422 -1.333) 7.592 5.875 ( 2.112 -3.117 -0.792) 3.847 5.875 ( 2.112 3.117 -0.792) 3.847 6.347 ( -3.051 -3.881 -2.012) 5.331 6.347 ( -3.051 3.881 -2.012) 5.331 6.420 ( -4.664 -1.238 -2.346) 5.366 6.420 ( -4.664 1.238 -2.346) 5.366 6.718 ( -5.165 -2.614 1.620) 6.012 6.718 ( -5.165 2.614 1.620) 6.012 6.947 ( 0.542 -0.789 1.092) 1.452 6.947 ( 0.542 0.789 1.092) 1.452 6.984 ( 1.018 -3.103 1.667) 3.666 6.984 ( 1.018 3.103 1.667) 3.666 7.062 ( 5.305 -2.957 -3.005) 6.777 7.062 ( 5.305 2.957 -3.005) 6.777 7.821 ( 9.369 -5.989 3.033) 11.526 7.821 ( 9.369 5.989 3.033) 11.526 7.950 ( 7.685 -4.966 -1.935) 9.352 7.950 ( 7.685 4.966 -1.935) 9.352 8.776 ( -0.438 -0.413 -1.275) 1.410 8.776 ( -0.438 0.413 -1.275) 1.410 8.929 ( -0.260 -1.080 1.319) 1.724 8.929 ( -0.260 1.080 1.319) 1.724 9.096 ( -3.619 -2.826 0.273) 4.600 9.096 ( -3.619 2.826 0.273) 4.600 9.187 ( -1.857 -1.940 1.387) 3.023 9.187 ( -1.857 1.940 1.387) 3.023 9.341 ( -5.343 -1.829 0.887) 5.717 9.341 ( -5.343 1.829 0.887) 5.717 9.481 ( -2.248 -1.408 -0.261) 2.666 9.481 ( -2.248 1.408 -0.261) 2.666 9.644 ( 10.824 -1.407 0.733) 10.940 9.644 ( 10.824 1.407 0.733) 10.940 9.766 ( 4.113 -3.684 -2.713) 6.153 9.766 ( 4.113 3.684 -2.713) 6.153 10.001 ( 2.496 -3.582 -2.438) 5.000 10.001 ( 2.496 3.582 -2.438) 5.000 10.180 ( 5.354 -1.499 1.095) 5.667 10.180 ( 5.354 1.499 1.095) 5.667 10.577 ( -0.569 -3.856 2.004) 4.383 10.577 ( -0.569 3.856 2.004) 4.383 10.689 ( 2.596 -3.683 -0.176) 4.509 10.689 ( 2.596 3.683 -0.176) 4.509 11.507 ( -4.111 -1.767 0.670) 4.524 11.507 ( -4.111 1.767 0.670) 4.524 11.562 ( -5.411 -0.380 -0.143) 5.426 11.562 ( -5.411 0.380 -0.143) 5.426 11.945 ( 0.126 -1.392 -0.379) 1.448 11.945 ( 0.126 1.392 -0.379) 1.448 12.047 ( 3.148 -1.020 -1.416) 3.600 12.047 ( 3.148 1.020 -1.416) 3.600 12.182 ( -3.143 -2.609 0.742) 4.152 12.182 ( -3.143 2.609 0.742) 4.152 12.295 ( -1.795 -0.750 -0.194) 1.956 12.295 ( -1.795 0.750 -0.194) 1.956 12.591 ( 0.028 -3.708 -0.636) 3.763 12.591 ( 0.028 3.708 -0.636) 3.763 12.674 ( 2.441 -2.770 0.114) 3.694 12.674 ( 2.441 2.770 0.114) 3.694 13.370 ( -4.041 -5.024 -0.131) 6.449 13.370 ( -4.041 5.024 -0.131) 6.449 13.408 ( -3.040 -5.756 0.133) 6.511 13.408 ( -3.040 5.756 0.133) 6.511 13.928 ( -3.632 -4.287 0.325) 5.628 13.928 ( -3.632 4.287 0.325) 5.628 13.995 ( -3.569 -3.889 -0.063) 5.278 13.995 ( -3.569 3.889 -0.063) 5.278 14.272 ( 5.354 -3.281 0.583) 6.306 14.272 ( 5.354 3.281 0.583) 6.306 14.407 ( 6.041 -3.050 -1.990) 7.054 14.407 ( 6.041 3.050 -1.990) 7.054 14.911 ( -2.244 -4.596 0.880) 5.190 14.911 ( -2.244 4.596 0.880) 5.190 15.092 ( 5.163 -5.171 -0.794) 7.350 15.092 ( 5.163 5.171 -0.794) 7.350 15.363 ( -6.804 -2.580 -0.771) 7.318 15.363 ( -6.804 2.580 -0.771) 7.318 15.459 ( -4.515 -2.346 0.489) 5.111 15.459 ( -4.515 2.346 0.489) 5.111 15.770 ( -5.135 -2.266 -1.586) 5.833 15.770 ( -5.135 2.266 -1.586) 5.833 15.890 ( 0.713 -4.459 3.069) 5.459 15.890 ( 0.713 4.459 3.069) 5.459 16.288 ( 1.131 -1.422 0.668) 1.935 16.288 ( 1.131 1.422 0.668) 1.935 16.365 ( 0.835 -1.646 0.433) 1.896 16.365 ( 0.835 1.646 0.433) 1.896 17.169 ( -0.711 -0.373 -0.463) 0.927 17.169 ( -0.711 0.373 -0.463) 0.927 17.229 ( 0.494 -1.554 -0.157) 1.638 17.229 ( 0.494 1.554 -0.157) 1.638 19.831 ( -7.994 -2.211 0.086) 8.294 19.831 ( -7.994 2.211 0.086) 8.294 20.032 ( -5.046 -0.969 1.463) 5.342 20.032 ( -5.046 0.969 1.463) 5.342 20.243 ( 7.324 -1.611 1.684) 7.686 20.243 ( 7.324 1.611 1.684) 7.686 20.594 ( 6.718 -1.873 -0.074) 6.974 20.594 ( 6.718 1.873 -0.074) 6.974 22.039 ( -10.174 -3.480 -0.548) 10.767 22.039 ( -10.174 3.480 -0.548) 10.767 22.080 ( -9.137 -2.407 0.368) 9.456 22.080 ( -9.137 2.407 0.368) 9.456 22.673 ( 10.018 -1.471 -0.646) 10.146 22.673 ( 10.018 1.471 -0.646) 10.146 22.779 ( 6.588 -1.468 0.262) 6.755 22.779 ( 6.588 1.468 0.262) 6.755 27.241 ( -22.046 -4.542 -0.980) 22.531 27.241 ( -22.046 4.542 -0.980) 22.531 27.481 ( -15.729 -11.644 3.000) 19.799 27.481 ( -15.729 11.644 3.000) 19.799 28.351 ( 20.644 -4.927 0.166) 21.225 28.351 ( 20.644 4.927 0.166) 21.225 28.465 ( 19.332 -4.474 0.167) 19.844 28.465 ( 19.332 4.474 0.167) 19.844 30.377 ( -7.267 -2.343 -0.640) 7.662 30.377 ( -7.267 2.343 -0.640) 7.662 30.507 ( -3.264 -2.551 -1.103) 4.287 30.507 ( -3.264 2.551 -1.103) 4.287 30.854 ( -7.624 -2.584 1.739) 8.236 30.854 ( -7.624 2.584 1.739) 8.236 30.968 ( -2.582 -4.367 1.098) 5.190 30.968 ( -2.582 4.367 1.098) 5.190 31.265 ( 5.069 -4.191 -0.809) 6.627 31.265 ( 5.069 4.191 -0.809) 6.627 31.555 ( 8.249 -4.982 4.327) 10.564 31.555 ( 8.249 4.982 4.327) 10.564 31.923 ( -5.200 -6.275 3.586) 8.903 31.923 ( -5.200 6.275 3.586) 8.903 32.303 ( 5.545 -12.586 13.188) 19.055 32.303 ( 5.545 12.586 13.188) 19.055 32.652 ( -6.456 -0.211 -1.844) 6.717 32.652 ( -6.456 0.211 -1.844) 6.717 33.007 ( -8.806 -0.917 0.171) 8.856 33.007 ( -8.806 0.917 0.171) 8.856 33.199 ( 3.270 -2.049 1.973) 4.334 33.199 ( 3.270 2.049 1.973) 4.334 33.452 ( 9.365 -0.643 2.748) 9.781 33.452 ( 9.365 0.643 2.748) 9.781 34.585 ( 1.405 -1.289 2.942) 3.506 34.585 ( 1.405 1.289 2.942) 3.506 34.786 ( -0.567 -0.879 -4.994) 5.102 34.786 ( -0.567 0.879 -4.994) 5.102 35.355 ( -0.349 -1.800 -2.104) 2.790 35.355 ( -0.349 1.800 -2.104) 2.790 35.482 ( 0.092 -3.746 1.145) 3.918 35.482 ( 0.092 3.746 1.145) 3.918 35.606 ( -3.867 -1.858 -5.330) 6.842 35.606 ( -3.867 1.858 -5.330) 6.842 35.706 ( 4.788 -2.500 -12.258) 13.395 35.706 ( 4.788 2.500 -12.258) 13.395 36.608 ( -16.060 -5.422 -2.864) 17.191 36.608 ( -16.060 5.422 -2.864) 17.191 37.361 ( 20.262 -9.861 3.134) 22.751 37.361 ( 20.262 9.861 3.134) 22.751 ======================= Grid point 73 (38/63) ======================= q-point: (-0.25 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -5.432 -7.594 -0.570) 9.354 1.056 ( -5.432 7.594 -0.570) 9.354 1.177 ( -1.992 -0.607 -1.541) 2.590 1.177 ( -1.992 0.607 -1.541) 2.590 1.354 ( -11.270 -4.928 3.042) 12.671 1.354 ( -11.270 4.928 3.042) 12.671 1.590 ( -15.409 -6.259 -0.095) 16.632 1.590 ( -15.409 6.259 -0.095) 16.632 1.703 ( 2.858 -1.335 -0.028) 3.154 1.703 ( 2.858 1.335 -0.028) 3.154 1.927 ( -4.232 -0.936 -1.860) 4.716 1.927 ( -4.232 0.936 -1.860) 4.716 2.153 ( 0.008 -13.145 -3.823) 13.689 2.153 ( 0.008 13.145 -3.823) 13.689 2.350 ( 4.008 -5.660 1.935) 7.200 2.350 ( 4.008 5.660 1.935) 7.200 2.383 ( -4.522 -3.345 3.010) 6.380 2.383 ( -4.522 3.345 3.010) 6.380 2.598 ( 1.368 -3.133 -1.553) 3.754 2.598 ( 1.368 3.133 -1.553) 3.754 2.774 ( -7.423 -2.794 -3.899) 8.838 2.774 ( -7.423 2.794 -3.899) 8.838 2.910 ( 5.207 -2.601 3.166) 6.626 2.910 ( 5.207 2.601 3.166) 6.626 3.019 ( -1.430 -2.661 4.262) 5.224 3.019 ( -1.430 2.661 4.262) 5.224 3.169 ( -6.289 -2.632 2.635) 7.309 3.169 ( -6.289 2.632 2.635) 7.309 3.316 ( -11.070 -8.812 -3.690) 14.622 3.316 ( -11.070 8.812 -3.690) 14.622 3.438 ( -11.872 -3.643 -0.362) 12.423 3.438 ( -11.872 3.643 -0.362) 12.423 3.653 ( -5.058 -6.335 -3.674) 8.900 3.653 ( -5.058 6.335 -3.674) 8.900 3.810 ( -1.511 -3.079 -1.106) 3.603 3.810 ( -1.511 3.079 -1.106) 3.603 3.984 ( -1.613 -4.248 3.315) 5.624 3.984 ( -1.613 4.248 3.315) 5.624 4.112 ( -1.167 -3.219 0.845) 3.527 4.112 ( -1.167 3.219 0.845) 3.527 4.311 ( 4.297 -4.053 -1.826) 6.182 4.311 ( 4.297 4.053 -1.826) 6.182 4.455 ( 1.962 -7.046 -0.534) 7.334 4.455 ( 1.962 7.046 -0.534) 7.334 4.579 ( -0.486 -2.415 1.960) 3.148 4.579 ( -0.486 2.415 1.960) 3.148 4.772 ( 3.550 -1.028 2.596) 4.517 4.772 ( 3.550 1.028 2.596) 4.517 4.873 ( 0.971 -5.440 -3.509) 6.546 4.873 ( 0.971 5.440 -3.509) 6.546 5.016 ( 5.100 -4.305 2.703) 7.201 5.016 ( 5.100 4.305 2.703) 7.201 5.207 ( 6.103 -6.081 -2.750) 9.044 5.207 ( 6.103 6.081 -2.750) 9.044 5.373 ( -0.789 -6.507 3.510) 7.436 5.373 ( -0.789 6.507 3.510) 7.436 5.455 ( -2.193 -7.505 0.927) 7.874 5.455 ( -2.193 7.505 0.927) 7.874 5.635 ( 3.514 -7.697 -0.359) 8.469 5.635 ( 3.514 7.697 -0.359) 8.469 5.716 ( 1.861 -4.053 -1.686) 4.768 5.716 ( 1.861 4.053 -1.686) 4.768 5.877 ( 0.101 -4.336 -1.490) 4.586 5.877 ( 0.101 4.336 -1.490) 4.586 6.244 ( -5.709 -2.634 0.590) 6.315 6.244 ( -5.709 2.634 0.590) 6.315 6.366 ( -0.099 -2.885 0.136) 2.889 6.366 ( -0.099 2.885 0.136) 2.889 6.679 ( -2.728 -2.544 2.851) 4.694 6.679 ( -2.728 2.544 2.851) 4.694 6.900 ( -3.909 -1.455 -2.345) 4.785 6.900 ( -3.909 1.455 -2.345) 4.785 7.029 ( 0.705 -3.105 2.000) 3.760 7.029 ( 0.705 3.105 2.000) 3.760 7.124 ( 5.226 -1.775 -2.847) 6.210 7.124 ( 5.226 1.775 -2.847) 6.210 8.040 ( 13.484 -4.168 -0.168) 14.114 8.040 ( 13.484 4.168 -0.168) 14.114 8.109 ( 12.542 -3.117 -0.783) 12.947 8.109 ( 12.542 3.117 -0.783) 12.947 8.759 ( 0.334 -1.919 -1.304) 2.344 8.759 ( 0.334 1.919 -1.304) 2.344 8.932 ( -1.629 -0.294 1.322) 2.118 8.932 ( -1.629 0.294 1.322) 2.118 9.041 ( -3.422 -2.421 0.894) 4.286 9.041 ( -3.422 2.421 0.894) 4.286 9.134 ( -4.042 -1.627 -0.530) 4.389 9.134 ( -4.042 1.627 -0.530) 4.389 9.262 ( -6.123 -2.914 2.209) 7.132 9.262 ( -6.123 2.914 2.209) 7.132 9.449 ( -3.113 -0.438 0.100) 3.145 9.449 ( -3.113 0.438 0.100) 3.145 9.733 ( 0.681 -3.082 -2.660) 4.127 9.733 ( 0.681 3.082 -2.660) 4.127 9.887 ( 12.814 -3.044 0.192) 13.172 9.887 ( 12.814 3.044 0.192) 13.172 10.102 ( 10.755 -4.625 -0.060) 11.708 10.102 ( 10.755 4.625 -0.060) 11.708 10.295 ( 6.055 -2.982 0.159) 6.751 10.295 ( 6.055 2.982 0.159) 6.751 10.615 ( 2.250 -3.613 1.508) 4.516 10.615 ( 2.250 3.613 1.508) 4.516 10.740 ( 4.033 -4.365 -0.428) 5.958 10.740 ( 4.033 4.365 -0.428) 5.958 11.386 ( -9.277 -0.713 -1.260) 9.389 11.386 ( -9.277 0.713 -1.260) 9.389 11.447 ( -8.512 -2.078 1.629) 8.913 11.447 ( -8.512 2.078 1.629) 8.913 11.940 ( -1.279 -2.748 0.517) 3.075 11.940 ( -1.279 2.748 0.517) 3.075 12.077 ( 0.878 -1.716 -0.462) 1.982 12.077 ( 0.878 1.716 -0.462) 1.982 12.152 ( -0.517 -0.823 0.022) 0.972 12.152 ( -0.517 0.823 0.022) 0.972 12.288 ( 2.492 -3.133 -0.671) 4.059 12.288 ( 2.492 3.133 -0.671) 4.059 12.584 ( -0.476 -5.896 0.441) 5.932 12.584 ( -0.476 5.896 0.441) 5.932 12.698 ( 0.128 -4.821 -0.175) 4.826 12.698 ( 0.128 4.821 -0.175) 4.826 13.275 ( -6.596 -5.494 -0.085) 8.584 13.275 ( -6.596 5.494 -0.085) 8.584 13.330 ( -6.118 -5.906 0.190) 8.505 13.330 ( -6.118 5.906 0.190) 8.505 13.912 ( 2.322 -4.651 0.054) 5.198 13.912 ( 2.322 4.651 0.054) 5.198 13.985 ( 3.011 -5.891 -0.013) 6.615 13.985 ( 3.011 5.891 -0.013) 6.615 14.337 ( 0.177 -6.247 0.928) 6.318 14.337 ( 0.177 6.247 0.928) 6.318 14.458 ( 2.569 -2.131 -2.127) 3.958 14.458 ( 2.569 2.131 -2.127) 3.958 14.855 ( -6.308 -9.015 1.329) 11.083 14.855 ( -6.308 9.015 1.329) 11.083 15.128 ( -6.331 -3.492 -0.146) 7.231 15.128 ( -6.331 3.492 -0.146) 7.231 15.257 ( -3.095 -2.771 0.015) 4.154 15.257 ( -3.095 2.771 0.015) 4.154 15.396 ( 1.921 -1.612 -0.972) 2.689 15.396 ( 1.921 1.612 -0.972) 2.689 15.675 ( -2.471 -1.842 -1.203) 3.308 15.675 ( -2.471 1.842 -1.203) 3.308 15.922 ( -0.326 -3.219 1.600) 3.609 15.922 ( -0.326 3.219 1.600) 3.609 16.293 ( -1.079 -1.042 -0.717) 1.663 16.293 ( -1.079 1.042 -0.717) 1.663 16.396 ( -0.334 -5.101 2.660) 5.762 16.396 ( -0.334 5.101 2.660) 5.762 17.159 ( 0.035 -0.154 -0.184) 0.243 17.159 ( 0.035 0.154 -0.184) 0.243 17.227 ( -0.291 -1.701 -0.350) 1.761 17.227 ( -0.291 1.701 -0.350) 1.761 19.715 ( -5.041 -3.844 -0.375) 6.351 19.715 ( -5.041 3.844 -0.375) 6.351 19.932 ( -7.615 -1.863 1.557) 7.993 19.932 ( -7.615 1.863 1.557) 7.993 20.408 ( 8.384 -1.015 1.326) 8.548 20.408 ( 8.384 1.015 1.326) 8.548 20.710 ( 6.757 -0.797 -0.669) 6.836 20.710 ( 6.757 0.797 -0.669) 6.836 21.819 ( -11.843 -2.256 -1.918) 12.207 21.819 ( -11.843 2.256 -1.918) 12.207 21.930 ( -9.281 -0.574 1.374) 9.400 21.930 ( -9.281 0.574 1.374) 9.400 22.833 ( 9.229 -1.388 -1.426) 9.441 22.833 ( 9.229 1.388 -1.426) 9.441 22.926 ( 9.077 -0.979 1.389) 9.235 22.926 ( 9.077 0.979 1.389) 9.235 26.873 ( -18.851 -2.354 0.015) 18.998 26.873 ( -18.851 2.354 0.015) 18.998 27.172 ( -22.823 -14.558 1.150) 27.095 27.172 ( -22.823 14.558 1.150) 27.095 28.736 ( 21.992 -6.488 0.668) 22.938 28.736 ( 21.992 6.488 0.668) 22.938 28.816 ( 21.440 -3.552 -1.308) 21.771 28.816 ( 21.440 3.552 -1.308) 21.771 30.193 ( -13.483 -6.316 -0.092) 14.889 30.193 ( -13.483 6.316 -0.092) 14.889 30.450 ( -2.125 -3.469 0.244) 4.075 30.450 ( -2.125 3.469 0.244) 4.075 30.733 ( -7.804 -2.758 1.282) 8.375 30.733 ( -7.804 2.758 1.282) 8.375 30.910 ( -4.904 -5.617 -0.211) 7.459 30.910 ( -4.904 5.617 -0.211) 7.459 31.346 ( 4.199 -4.421 -0.320) 6.106 31.346 ( 4.199 4.421 -0.320) 6.106 31.719 ( 7.928 -2.692 -0.634) 8.397 31.719 ( 7.928 2.692 -0.634) 8.397 31.901 ( 0.345 -5.886 2.145) 6.274 31.901 ( 0.345 5.886 2.145) 6.274 32.412 ( -6.712 -2.786 -0.658) 7.297 32.412 ( -6.712 2.786 -0.658) 7.297 32.617 ( -5.652 -3.950 5.130) 8.595 32.617 ( -5.652 3.950 5.130) 8.595 32.952 ( 6.211 -6.296 3.020) 9.345 32.952 ( 6.211 6.296 3.020) 9.345 33.378 ( 13.154 -11.382 8.298) 19.273 33.378 ( 13.154 11.382 8.298) 19.273 33.643 ( 8.791 -0.824 1.834) 9.018 33.643 ( 8.791 0.824 1.834) 9.018 34.624 ( -0.621 -0.319 0.743) 1.019 34.624 ( -0.621 0.319 0.743) 1.019 34.707 ( 0.060 -1.478 -6.934) 7.090 34.707 ( 0.060 1.478 -6.934) 7.090 35.323 ( -0.674 -1.973 -1.241) 2.426 35.323 ( -0.674 1.973 -1.241) 2.426 35.406 ( -2.199 -1.365 -6.938) 7.405 35.406 ( -2.199 1.365 -6.938) 7.405 35.545 ( -1.444 -0.975 -6.396) 6.629 35.545 ( -1.444 0.975 -6.396) 6.629 35.661 ( 1.540 -2.640 2.564) 3.989 35.661 ( 1.540 2.640 2.564) 3.989 36.286 ( -16.713 -5.975 -0.484) 17.755 36.286 ( -16.713 5.975 -0.484) 17.755 37.740 ( 19.130 -10.848 1.128) 22.020 37.740 ( 19.130 10.848 1.128) 22.020 ======================= Grid point 75 (39/63) ======================= q-point: (-0.12 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( -4.245 -9.554 5.540) 11.831 0.973 ( -4.245 9.554 5.540) 11.831 1.159 ( -2.687 -2.949 3.589) 5.367 1.159 ( -2.687 2.949 3.589) 5.367 1.183 ( -5.447 -0.707 0.252) 5.498 1.183 ( -5.447 0.707 0.252) 5.498 1.424 ( -10.491 -7.842 8.950) 15.864 1.424 ( -10.491 7.842 8.950) 15.864 1.767 ( 0.413 -3.016 1.381) 3.343 1.767 ( 0.413 3.016 1.381) 3.343 1.905 ( 2.319 -3.580 -0.118) 4.267 1.905 ( 2.319 3.580 -0.118) 4.267 2.106 ( -2.343 -26.859 -2.664) 27.092 2.106 ( -2.343 26.859 -2.664) 27.092 2.297 ( -1.461 -2.584 -1.175) 3.192 2.297 ( -1.461 2.584 -1.175) 3.192 2.433 ( 1.227 -3.001 -2.355) 4.007 2.433 ( 1.227 3.001 -2.355) 4.007 2.581 ( -2.370 -1.739 0.386) 2.965 2.581 ( -2.370 1.739 0.386) 2.965 2.704 ( 1.235 -3.333 1.991) 4.074 2.704 ( 1.235 3.333 1.991) 4.074 2.855 ( -6.369 -10.087 -0.909) 11.964 2.855 ( -6.369 10.087 -0.909) 11.964 3.006 ( -1.315 -5.967 -0.807) 6.163 3.006 ( -1.315 5.967 -0.807) 6.163 3.119 ( -10.216 -6.428 2.140) 12.258 3.119 ( -10.216 6.428 2.140) 12.258 3.248 ( -3.630 -4.406 1.257) 5.846 3.248 ( -3.630 4.406 1.257) 5.846 3.329 ( 6.234 -4.542 5.144) 9.271 3.329 ( 6.234 4.542 5.144) 9.271 3.525 ( -4.903 -8.492 -1.182) 9.877 3.525 ( -4.903 8.492 -1.182) 9.877 3.762 ( -4.326 -4.445 -1.688) 6.428 3.762 ( -4.326 4.445 -1.688) 6.428 3.890 ( -8.760 -5.387 1.940) 10.465 3.890 ( -8.760 5.387 1.940) 10.465 4.128 ( 1.267 -1.201 0.302) 1.772 4.128 ( 1.267 1.201 0.302) 1.772 4.385 ( 5.041 -5.433 -0.397) 7.422 4.385 ( 5.041 5.433 -0.397) 7.422 4.495 ( 3.883 -8.852 0.336) 9.672 4.495 ( 3.883 8.852 0.336) 9.672 4.616 ( 1.028 -4.932 2.229) 5.510 4.616 ( 1.028 4.932 2.229) 5.510 4.820 ( 1.940 -0.906 -3.870) 4.423 4.820 ( 1.940 0.906 -3.870) 4.423 4.900 ( 2.968 -4.679 1.058) 5.641 4.900 ( 2.968 4.679 1.058) 5.641 5.099 ( 0.719 -1.186 -1.536) 2.070 5.099 ( 0.719 1.186 -1.536) 2.070 5.214 ( -0.653 -11.151 -3.144) 11.604 5.214 ( -0.653 11.151 -3.144) 11.604 5.324 ( -3.560 -5.673 3.934) 7.767 5.324 ( -3.560 5.673 3.934) 7.767 5.486 ( 4.700 -2.037 -3.043) 5.958 5.486 ( 4.700 2.037 -3.043) 5.958 5.644 ( 1.658 -0.720 -5.052) 5.366 5.644 ( 1.658 0.720 -5.052) 5.366 5.708 ( 1.447 -3.199 -3.140) 4.710 5.708 ( 1.447 3.199 -3.140) 4.710 5.883 ( 0.833 -2.939 -0.331) 3.073 5.883 ( 0.833 2.939 -0.331) 3.073 6.184 ( -4.909 -3.333 3.444) 6.860 6.184 ( -4.909 3.333 3.444) 6.860 6.401 ( 2.311 -4.593 1.540) 5.367 6.401 ( 2.311 4.593 1.540) 5.367 6.678 ( -2.866 -2.352 3.084) 4.822 6.678 ( -2.866 2.352 3.084) 4.822 6.784 ( -3.643 -2.737 -2.908) 5.405 6.784 ( -3.643 2.737 -2.908) 5.405 7.061 ( 0.820 -3.251 1.520) 3.681 7.061 ( 0.820 3.251 1.520) 3.681 7.172 ( 3.500 -1.393 -1.444) 4.034 7.172 ( 3.500 1.393 -1.444) 4.034 8.274 ( 13.230 -6.154 -0.227) 14.593 8.274 ( 13.230 6.154 -0.227) 14.593 8.330 ( 12.529 -2.462 -0.382) 12.775 8.330 ( 12.529 2.462 -0.382) 12.775 8.756 ( 1.452 -4.156 -1.350) 4.605 8.756 ( 1.452 4.156 -1.350) 4.605 8.901 ( -4.277 -1.067 1.536) 4.668 8.901 ( -4.277 1.067 1.536) 4.668 8.984 ( -3.960 -0.618 0.019) 4.008 8.984 ( -3.960 0.618 0.019) 4.008 9.077 ( -2.009 -3.980 0.145) 4.460 9.077 ( -2.009 3.980 0.145) 4.460 9.171 ( -6.824 -0.832 1.519) 7.040 9.171 ( -6.824 0.832 1.519) 7.040 9.368 ( -3.882 -1.434 -1.692) 4.471 9.368 ( -3.882 1.434 -1.692) 4.471 9.738 ( 1.537 -4.198 0.153) 4.473 9.738 ( 1.537 4.198 0.153) 4.473 10.089 ( 9.430 -3.757 -0.735) 10.177 10.089 ( 9.430 3.757 -0.735) 10.177 10.304 ( 10.286 -2.970 1.074) 10.760 10.304 ( 10.286 2.970 1.074) 10.760 10.382 ( 4.608 -2.391 -1.127) 5.312 10.382 ( 4.608 2.391 -1.127) 5.312 10.668 ( 1.692 -2.872 0.745) 3.415 10.668 ( 1.692 2.872 0.745) 3.415 10.823 ( 5.463 -5.366 -0.495) 7.674 10.823 ( 5.463 5.366 -0.495) 7.674 11.207 ( -8.242 -3.546 -1.109) 9.041 11.207 ( -8.242 3.546 -1.109) 9.041 11.306 ( -9.340 -5.150 1.265) 10.740 11.306 ( -9.340 5.150 1.265) 10.740 11.908 ( -3.208 -3.095 1.110) 4.594 11.908 ( -3.208 3.095 1.110) 4.594 12.071 ( -1.205 -1.858 -0.174) 2.221 12.071 ( -1.205 1.858 -0.174) 2.221 12.172 ( 2.794 -1.599 0.585) 3.272 12.172 ( 2.794 1.599 0.585) 3.272 12.347 ( 4.686 -4.440 -1.309) 6.587 12.347 ( 4.686 4.440 -1.309) 6.587 12.582 ( -0.847 -6.335 0.929) 6.459 12.582 ( -0.847 6.335 0.929) 6.459 12.687 ( -0.535 -4.239 -0.520) 4.304 12.687 ( -0.535 4.239 -0.520) 4.304 13.161 ( -5.451 -3.315 -0.327) 6.388 13.161 ( -5.451 3.315 -0.327) 6.388 13.214 ( -6.869 -2.541 0.337) 7.332 13.214 ( -6.869 2.541 0.337) 7.332 14.008 ( 7.589 -3.019 0.286) 8.173 14.008 ( 7.589 3.019 0.286) 8.173 14.090 ( 8.433 -4.393 -0.564) 9.525 14.090 ( 8.433 4.393 -0.564) 9.525 14.313 ( -3.501 -8.032 1.230) 8.847 14.313 ( -3.501 8.032 1.230) 8.847 14.422 ( -4.327 -2.505 -0.988) 5.096 14.422 ( -4.327 2.505 -0.988) 5.096 14.733 ( -9.884 -11.968 1.596) 15.603 14.733 ( -9.884 11.968 1.596) 15.603 14.951 ( -8.700 -0.783 -0.899) 8.781 14.951 ( -8.700 0.783 -0.899) 8.781 15.155 ( -8.139 -2.517 0.565) 8.537 15.155 ( -8.139 2.517 0.565) 8.537 15.520 ( 10.980 -4.073 -3.240) 12.151 15.520 ( 10.980 4.073 -3.240) 12.151 15.679 ( 3.356 -1.073 -0.551) 3.566 15.679 ( 3.356 1.073 -0.551) 3.566 15.930 ( 2.077 -3.776 -2.576) 5.021 15.930 ( 2.077 3.776 -2.576) 5.021 16.249 ( -2.396 -0.853 -0.409) 2.576 16.249 ( -2.396 0.853 -0.409) 2.576 16.355 ( -7.836 -6.320 0.322) 10.072 16.355 ( -7.836 6.320 0.322) 10.072 17.163 ( 0.435 -0.331 0.030) 0.547 17.163 ( 0.435 0.331 0.030) 0.547 17.217 ( -0.341 -1.695 -0.012) 1.729 17.217 ( -0.341 1.695 -0.012) 1.729 19.646 ( -1.983 -4.862 -1.241) 5.395 19.646 ( -1.983 4.862 -1.241) 5.395 19.827 ( -5.155 -1.847 0.007) 5.476 19.827 ( -5.155 1.847 0.007) 5.476 20.540 ( 4.712 -0.305 1.232) 4.880 20.540 ( 4.712 0.305 1.232) 4.880 20.798 ( 4.257 -0.637 -0.839) 4.385 20.798 ( 4.257 0.637 -0.839) 4.385 21.634 ( -6.707 -1.180 -0.333) 6.819 21.634 ( -6.707 1.180 -0.333) 6.819 21.803 ( -6.798 -1.356 0.881) 6.988 21.803 ( -6.798 1.356 0.881) 6.988 22.938 ( 5.593 -1.528 -2.590) 6.350 22.938 ( 5.593 1.528 -2.590) 6.350 23.115 ( 8.751 -0.465 2.545) 9.125 23.115 ( 8.751 0.465 2.545) 9.125 26.615 ( -10.973 -0.842 0.299) 11.009 26.615 ( -10.973 0.842 0.299) 11.009 26.761 ( -21.544 -7.902 -1.400) 22.990 26.761 ( -21.544 7.902 -1.400) 22.990 29.100 ( 16.939 -4.790 0.351) 17.607 29.100 ( 16.939 4.790 0.351) 17.607 29.138 ( 17.925 -1.560 -0.065) 17.993 29.138 ( 17.925 1.560 -0.065) 17.993 29.926 ( -17.738 -8.723 1.766) 19.845 29.926 ( -17.738 8.723 1.766) 19.845 30.446 ( 0.365 -2.298 1.048) 2.551 30.446 ( 0.365 2.298 1.048) 2.551 30.626 ( -4.937 -3.408 -0.789) 6.051 30.626 ( -4.937 3.408 -0.789) 6.051 30.815 ( -3.513 -7.095 -2.319) 8.249 30.815 ( -3.513 7.095 -2.319) 8.249 31.380 ( -0.318 -3.816 0.902) 3.934 31.380 ( -0.318 3.816 0.902) 3.934 31.850 ( 9.668 -1.350 -1.147) 9.829 31.850 ( 9.668 1.350 -1.147) 9.829 31.986 ( 5.774 -3.917 0.508) 6.995 31.986 ( 5.774 3.917 0.508) 6.995 32.260 ( -6.566 -1.900 -2.202) 7.181 32.260 ( -6.566 1.900 -2.202) 7.181 32.446 ( -13.149 -0.509 -0.294) 13.162 32.446 ( -13.149 0.509 -0.294) 13.162 33.081 ( 6.937 -4.606 -7.862) 11.452 33.081 ( 6.937 4.606 -7.862) 11.452 33.663 ( 14.336 -8.446 -21.674) 27.324 33.663 ( 14.336 8.446 -21.674) 27.324 33.802 ( 12.159 -6.140 -14.116) 19.616 33.802 ( 12.159 6.140 -14.116) 19.616 34.538 ( -0.328 -0.952 -2.204) 2.423 34.538 ( -0.328 0.952 -2.204) 2.423 34.677 ( -0.657 -0.958 2.041) 2.348 34.677 ( -0.657 0.958 2.041) 2.348 35.273 ( -1.962 -1.478 -1.116) 2.698 35.273 ( -1.962 1.478 -1.116) 2.698 35.338 ( -0.826 -3.457 1.810) 3.988 35.338 ( -0.826 3.457 1.810) 3.988 35.426 ( -2.622 -1.293 -1.678) 3.371 35.426 ( -2.622 1.293 -1.678) 3.371 35.848 ( 1.984 -5.260 15.602) 16.584 35.848 ( 1.984 5.260 15.602) 16.584 36.132 ( -10.720 -9.650 23.584) 27.645 36.132 ( -10.720 9.650 23.584) 27.645 38.011 ( 12.319 -11.030 -2.436) 16.714 38.011 ( 12.319 11.030 -2.436) 16.714 ======================= Grid point 85 (40/63) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.778 ( 2.431 0.000 15.665) 15.852 0.901 ( -1.920 0.000 16.731) 16.840 1.004 ( -2.511 0.000 -5.841) 6.358 1.133 ( 1.902 0.000 -5.673) 5.983 1.392 ( -0.123 0.000 8.539) 8.540 1.422 ( 2.277 0.000 5.940) 6.362 1.551 ( 1.404 0.000 14.004) 14.074 1.667 ( 1.027 0.000 -9.541) 9.596 1.670 ( -0.430 0.000 3.617) 3.642 1.744 ( 0.014 0.000 -4.861) 4.861 1.788 ( -1.700 0.000 5.089) 5.365 1.904 ( 0.560 0.000 0.334) 0.652 2.097 ( 0.596 0.000 4.314) 4.355 2.306 ( -8.815 0.000 14.548) 17.010 2.307 ( -2.652 0.000 -8.449) 8.855 2.497 ( 8.938 0.000 9.520) 13.058 2.497 ( -6.535 0.000 -4.810) 8.114 2.508 ( 1.195 0.000 -3.713) 3.900 2.563 ( 0.293 0.000 -0.891) 0.938 2.702 ( -0.713 0.000 0.896) 1.145 2.713 ( 1.490 0.000 5.065) 5.280 2.783 ( 0.769 0.000 -9.464) 9.495 2.837 ( -7.580 0.000 4.108) 8.622 2.870 ( 3.985 0.000 4.991) 6.387 2.938 ( 2.233 0.000 -1.676) 2.792 2.999 ( -3.580 0.000 3.878) 5.278 3.021 ( -0.580 0.000 -10.730) 10.745 3.140 ( 4.803 0.000 6.326) 7.943 3.181 ( 2.975 0.000 -6.096) 6.783 3.192 ( -9.823 0.000 1.850) 9.996 3.206 ( 3.509 0.000 -2.411) 4.257 3.264 ( 2.107 0.000 -6.086) 6.440 3.487 ( 0.079 0.000 3.103) 3.104 3.492 ( 0.040 0.000 0.538) 0.539 3.772 ( 6.361 0.000 7.907) 10.148 3.806 ( 0.784 0.000 3.834) 3.913 3.944 ( 3.563 0.000 -7.114) 7.957 3.946 ( -3.554 0.000 -5.406) 6.470 4.023 ( -5.936 0.000 7.371) 9.464 4.075 ( 1.292 0.000 3.910) 4.118 4.396 ( -3.085 0.000 -0.892) 3.211 4.418 ( -0.055 0.000 3.642) 3.643 4.441 ( 3.202 0.000 -2.085) 3.821 4.487 ( -0.571 0.000 -2.664) 2.725 4.541 ( -2.586 0.000 -8.887) 9.256 4.566 ( 1.615 0.000 -8.849) 8.995 4.719 ( 0.492 0.000 0.510) 0.709 4.740 ( 3.807 0.000 -3.183) 4.962 4.798 ( -4.160 0.000 -0.011) 4.160 4.827 ( -3.506 0.000 -2.425) 4.263 4.970 ( 5.095 0.000 0.588) 5.129 5.017 ( -0.646 0.000 7.079) 7.109 5.025 ( -0.405 0.000 -3.879) 3.900 5.187 ( 3.695 0.000 -9.139) 9.857 5.218 ( -6.444 0.000 1.833) 6.700 5.261 ( -0.305 0.000 -1.132) 1.172 5.457 ( 6.394 0.000 -5.536) 8.458 5.459 ( -2.726 0.000 0.761) 2.830 5.462 ( -0.704 0.000 -0.432) 0.826 5.557 ( -1.455 0.000 -4.034) 4.288 5.859 ( 2.194 0.000 5.502) 5.923 5.939 ( -0.461 0.000 -1.028) 1.127 5.984 ( 0.057 0.000 5.063) 5.064 6.051 ( 0.315 0.000 -0.814) 0.872 6.317 ( -1.615 0.000 2.332) 2.836 6.333 ( -0.417 0.000 0.525) 0.670 6.521 ( -3.158 0.000 -0.382) 3.181 6.539 ( 4.252 0.000 -1.771) 4.606 6.653 ( -3.607 0.000 3.516) 5.038 6.721 ( 5.435 0.000 -2.670) 6.055 6.799 ( -0.827 0.000 4.840) 4.910 6.865 ( 1.502 0.000 -1.615) 2.205 7.034 ( -1.020 0.000 1.085) 1.489 7.051 ( 1.660 0.000 -0.497) 1.732 7.320 ( -6.711 0.000 4.855) 8.283 7.414 ( 7.481 0.000 -4.095) 8.528 8.272 ( -2.091 0.000 2.665) 3.387 8.332 ( 2.006 0.000 -3.194) 3.772 8.612 ( 2.423 0.000 0.800) 2.552 8.631 ( -1.672 0.000 -0.965) 1.930 8.641 ( 6.057 0.000 3.315) 6.905 8.718 ( -6.930 0.000 -4.146) 8.075 8.830 ( 3.759 0.000 2.611) 4.576 8.873 ( -8.831 0.000 -0.505) 8.846 8.907 ( 2.768 0.000 3.019) 4.096 8.980 ( -0.314 0.000 -2.815) 2.832 9.023 ( 0.583 0.000 1.268) 1.395 9.060 ( 0.110 0.000 -2.350) 2.353 9.161 ( 0.929 0.000 -0.199) 0.950 9.195 ( -1.899 0.000 -2.904) 3.470 9.253 ( -2.363 0.000 3.328) 4.082 9.334 ( 3.066 0.000 -3.865) 4.934 9.768 ( -2.284 0.000 6.145) 6.556 9.888 ( 3.528 0.000 -4.506) 5.722 10.065 ( 0.865 0.000 -0.106) 0.871 10.086 ( -1.563 0.000 -3.055) 3.431 10.254 ( -4.310 0.000 1.751) 4.652 10.291 ( 5.245 0.000 -1.683) 5.508 10.547 ( 0.244 0.000 1.500) 1.520 10.574 ( -0.246 0.000 -1.039) 1.068 10.642 ( 0.098 0.000 -0.297) 0.313 10.647 ( -2.338 0.000 -0.779) 2.464 10.861 ( 3.216 0.000 3.349) 4.643 10.927 ( -2.275 0.000 -3.133) 3.872 11.017 ( -3.549 0.000 1.160) 3.734 11.038 ( 4.405 0.000 -0.817) 4.480 11.354 ( 0.893 0.000 0.336) 0.954 11.361 ( -1.497 0.000 -0.282) 1.524 11.857 ( -6.175 0.000 2.477) 6.653 11.909 ( 6.562 0.000 -2.550) 7.040 12.069 ( -5.643 0.000 1.471) 5.832 12.095 ( 5.083 0.000 -1.131) 5.208 12.152 ( -0.656 0.000 0.323) 0.731 12.157 ( 0.339 0.000 -0.406) 0.529 12.212 ( -0.166 0.000 2.511) 2.516 12.258 ( 0.773 0.000 -1.808) 1.967 12.407 ( 0.688 0.000 0.227) 0.724 12.420 ( -1.797 0.000 -1.145) 2.131 12.784 ( 2.029 0.000 0.912) 2.225 12.798 ( -1.567 0.000 -0.431) 1.626 13.057 ( -1.923 0.000 2.494) 3.149 13.113 ( 2.171 0.000 -2.926) 3.643 13.192 ( -0.480 0.000 1.552) 1.625 13.220 ( -0.653 0.000 -1.062) 1.247 13.943 ( 0.793 0.000 0.309) 0.851 13.949 ( -0.545 0.000 -0.351) 0.648 14.141 ( -1.148 0.000 0.234) 1.172 14.150 ( 0.569 0.000 -0.569) 0.804 14.203 ( 0.087 0.000 0.487) 0.495 14.205 ( -1.520 0.000 0.211) 1.535 14.385 ( 6.083 0.000 -0.020) 6.083 14.390 ( -3.792 0.000 -0.368) 3.810 14.495 ( -4.022 0.000 0.368) 4.039 14.495 ( 6.312 0.000 0.233) 6.316 14.842 ( -0.604 0.000 -0.206) 0.639 14.843 ( 1.219 0.000 -0.283) 1.251 14.914 ( 5.496 0.000 0.866) 5.564 14.932 ( -5.969 0.000 -0.911) 6.038 15.492 ( 0.573 0.000 6.351) 6.377 15.592 ( -2.616 0.000 -3.587) 4.440 15.719 ( -2.345 0.000 0.709) 2.449 15.725 ( 3.233 0.000 0.142) 3.236 15.824 ( 2.447 0.000 3.591) 4.345 15.927 ( -0.926 0.000 -6.036) 6.106 16.200 ( 2.313 0.000 1.002) 2.521 16.222 ( -3.970 0.000 -1.146) 4.132 16.239 ( 0.095 0.000 2.494) 2.496 16.285 ( 0.083 0.000 -1.859) 1.861 17.142 ( -0.780 0.000 0.114) 0.789 17.147 ( 0.835 0.000 -0.328) 0.897 17.234 ( -0.761 0.000 1.797) 1.951 17.259 ( 0.908 0.000 -0.649) 1.116 19.577 ( -1.658 0.000 1.021) 1.947 19.614 ( 1.281 0.000 -2.680) 2.970 19.850 ( -0.708 0.000 0.651) 0.962 19.852 ( 0.533 0.000 0.372) 0.649 20.601 ( -2.599 0.000 1.365) 2.936 20.615 ( 1.928 0.000 0.176) 1.936 20.802 ( -1.614 0.000 -0.123) 1.618 20.817 ( 2.366 0.000 -1.421) 2.759 21.594 ( 1.302 0.000 2.008) 2.394 21.631 ( -0.528 0.000 -1.639) 1.722 21.777 ( 0.814 0.000 0.585) 1.003 21.786 ( -1.074 0.000 -0.360) 1.133 22.957 ( -2.976 0.000 -1.075) 3.164 22.961 ( 2.559 0.000 -1.644) 3.041 23.250 ( 0.491 0.000 0.823) 0.958 23.252 ( -1.213 0.000 0.708) 1.404 26.491 ( -0.355 0.000 -0.250) 0.434 26.492 ( 0.423 0.000 -0.358) 0.554 26.561 ( 0.577 0.000 0.536) 0.788 26.565 ( -0.448 0.000 0.140) 0.470 29.284 ( 2.329 0.000 1.741) 2.908 29.290 ( -7.854 0.000 2.807) 8.340 29.345 ( 15.180 0.000 -0.253) 15.182 29.411 ( -7.136 0.000 -4.856) 8.631 29.454 ( -7.451 0.000 1.619) 7.625 29.491 ( 5.522 0.000 -1.991) 5.870 30.285 ( -1.294 0.000 12.187) 12.256 30.447 ( 0.475 0.000 -4.513) 4.538 30.493 ( 1.058 0.000 1.633) 1.946 30.510 ( -0.615 0.000 0.392) 0.730 30.652 ( 0.381 0.000 2.866) 2.892 30.744 ( -1.294 0.000 -4.499) 4.681 31.274 ( -3.091 0.000 0.309) 3.106 31.280 ( 2.972 0.000 -0.237) 2.981 31.683 ( -1.524 0.000 14.666) 14.745 31.949 ( -2.085 0.000 -3.372) 3.965 31.956 ( 1.888 0.000 1.276) 2.279 32.022 ( 9.826 0.000 -5.714) 11.366 32.102 ( -1.574 0.000 2.876) 3.279 32.208 ( 5.969 0.000 -4.177) 7.285 32.238 ( -8.635 0.000 -0.356) 8.643 32.242 ( -8.418 0.000 -0.841) 8.459 32.353 ( 7.150 0.000 -0.173) 7.152 32.504 ( -1.806 0.000 -25.607) 25.671 33.369 ( -0.033 0.000 2.091) 2.091 33.370 ( -0.754 0.000 -0.312) 0.816 33.589 ( 0.519 0.000 -0.827) 0.976 33.665 ( -0.164 0.000 -6.381) 6.383 34.654 ( -4.158 0.000 0.684) 4.214 34.658 ( 4.595 0.000 0.459) 4.618 34.717 ( 4.918 0.000 3.065) 5.795 34.755 ( -3.379 0.000 -0.086) 3.380 35.216 ( -1.372 0.000 0.705) 1.542 35.239 ( 2.034 0.000 -1.396) 2.467 35.393 ( 1.431 0.000 1.736) 2.250 35.421 ( -0.821 0.000 -1.095) 1.369 35.558 ( 0.335 0.000 7.985) 7.992 35.646 ( 0.530 0.000 7.933) 7.951 35.720 ( 0.224 0.000 -7.384) 7.387 35.804 ( -1.263 0.000 -7.134) 7.245 36.800 ( -0.059 0.000 29.259) 29.259 37.294 ( -0.206 0.000 -19.654) 19.655 38.222 ( -1.938 0.000 3.384) 3.900 38.295 ( 0.985 0.000 -3.580) 3.713 ======================= Grid point 86 (41/63) ======================= q-point: ( 0.12 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.014 ( 9.869 0.000 -4.351) 10.785 1.052 ( 7.013 0.000 -3.426) 7.805 1.078 ( 5.503 0.000 5.292) 7.635 1.161 ( 12.015 0.000 -0.670) 12.033 1.438 ( 1.319 0.000 -1.281) 1.839 1.439 ( -2.343 0.000 -13.952) 14.148 1.577 ( -0.450 0.000 2.324) 2.367 1.590 ( 2.293 0.000 9.233) 9.513 1.717 ( 0.616 0.000 4.538) 4.580 1.765 ( 6.640 0.000 -3.210) 7.375 1.911 ( 5.178 0.000 -4.652) 6.960 1.942 ( 3.588 0.000 -1.146) 3.766 2.128 ( -0.912 0.000 -7.341) 7.397 2.182 ( -9.858 0.000 12.635) 16.026 2.310 ( -4.569 0.000 -6.641) 8.061 2.424 ( -0.698 0.000 5.316) 5.361 2.457 ( -5.780 0.000 -1.756) 6.041 2.485 ( 4.842 0.000 10.122) 11.220 2.663 ( -0.849 0.000 3.145) 3.258 2.699 ( 3.637 0.000 -6.982) 7.872 2.758 ( 3.986 0.000 -9.532) 10.332 2.830 ( 4.805 0.000 6.052) 7.727 2.896 ( 1.250 0.000 1.244) 1.764 2.935 ( 7.107 0.000 3.455) 7.902 2.965 ( 2.947 0.000 6.874) 7.479 2.984 ( 3.967 0.000 -5.189) 6.531 3.045 ( -6.448 0.000 3.049) 7.132 3.073 ( -4.444 0.000 -10.976) 11.842 3.135 ( 4.644 0.000 4.818) 6.692 3.272 ( 11.553 0.000 2.001) 11.725 3.283 ( 5.035 0.000 1.690) 5.311 3.320 ( 6.852 0.000 -0.196) 6.855 3.537 ( 4.007 0.000 -0.563) 4.046 3.546 ( 4.826 0.000 -1.944) 5.203 3.769 ( -2.206 0.000 -8.657) 8.934 3.865 ( 2.145 0.000 -5.051) 5.488 3.879 ( 0.679 0.000 0.676) 0.958 3.969 ( 1.217 0.000 3.679) 3.875 4.031 ( -2.784 0.000 1.157) 3.015 4.091 ( -2.570 0.000 5.314) 5.903 4.380 ( -2.247 0.000 -5.045) 5.523 4.392 ( -0.097 0.000 -2.733) 2.734 4.459 ( 0.354 0.000 3.703) 3.720 4.463 ( -0.941 0.000 2.146) 2.343 4.493 ( -3.657 0.000 -4.123) 5.511 4.554 ( 3.131 0.000 8.720) 9.265 4.606 ( -4.524 0.000 -2.789) 5.314 4.671 ( -0.534 0.000 3.567) 3.607 4.832 ( -1.511 0.000 2.156) 2.632 4.867 ( 2.659 0.000 2.910) 3.942 4.937 ( -1.708 0.000 -4.509) 4.822 5.030 ( 1.390 0.000 -0.615) 1.520 5.105 ( 0.069 0.000 5.068) 5.069 5.158 ( 2.646 0.000 -6.013) 6.570 5.209 ( -1.020 0.000 5.580) 5.672 5.271 ( -0.561 0.000 1.205) 1.330 5.418 ( 5.053 0.000 -1.572) 5.292 5.479 ( 0.530 0.000 -1.769) 1.846 5.537 ( 3.815 0.000 -3.585) 5.235 5.541 ( 2.230 0.000 5.708) 6.128 5.868 ( -1.570 0.000 -4.301) 4.579 5.932 ( -0.893 0.000 -0.538) 1.043 5.991 ( -3.860 0.000 -2.711) 4.717 6.034 ( -0.228 0.000 2.482) 2.493 6.314 ( -1.724 0.000 1.967) 2.615 6.332 ( -1.229 0.000 -0.683) 1.406 6.407 ( -7.721 0.000 -3.556) 8.500 6.514 ( -1.379 0.000 3.785) 4.029 6.623 ( -3.693 0.000 1.658) 4.048 6.766 ( 5.416 0.000 -4.282) 6.904 6.843 ( 0.223 0.000 2.664) 2.673 6.886 ( 4.943 0.000 -4.341) 6.578 6.991 ( -4.743 0.000 -0.445) 4.764 7.031 ( -2.725 0.000 -0.752) 2.827 7.210 ( -10.088 0.000 1.592) 10.213 7.421 ( 0.414 0.000 -2.895) 2.925 8.131 ( -16.860 0.000 -2.516) 17.046 8.142 ( -13.071 0.000 2.492) 13.307 8.467 ( -16.887 0.000 0.916) 16.912 8.523 ( -8.592 0.000 -0.597) 8.613 8.617 ( 0.894 0.000 -3.532) 3.643 8.763 ( -0.327 0.000 -0.150) 0.360 8.851 ( -1.776 0.000 2.464) 3.037 8.876 ( 8.125 0.000 3.251) 8.751 9.002 ( 1.884 0.000 2.681) 3.277 9.040 ( 4.650 0.000 -1.297) 4.828 9.064 ( 4.039 0.000 -2.803) 4.917 9.077 ( 3.793 0.000 1.858) 4.224 9.218 ( 6.123 0.000 -0.036) 6.123 9.245 ( 6.299 0.000 1.617) 6.503 9.289 ( 1.976 0.000 3.134) 3.705 9.363 ( 5.468 0.000 -3.399) 6.438 9.801 ( -1.680 0.000 3.726) 4.087 9.856 ( 0.912 0.000 -6.568) 6.631 10.011 ( -4.928 0.000 -0.832) 4.997 10.062 ( -2.316 0.000 2.392) 3.329 10.132 ( -11.368 0.000 1.329) 11.446 10.264 ( -5.780 0.000 -2.258) 6.206 10.443 ( -11.358 0.000 -0.158) 11.359 10.454 ( -8.731 0.000 0.241) 8.734 10.598 ( -3.207 0.000 0.625) 3.267 10.627 ( -3.052 0.000 1.954) 3.624 10.847 ( -2.550 0.000 -3.482) 4.316 10.902 ( -3.773 0.000 2.603) 4.584 11.129 ( 13.101 0.000 0.381) 13.106 11.205 ( 14.160 0.000 -1.214) 14.212 11.371 ( 2.319 0.000 0.339) 2.343 11.417 ( 5.174 0.000 0.800) 5.236 11.822 ( -0.377 0.000 2.248) 2.279 11.942 ( -0.053 0.000 -2.479) 2.479 12.068 ( 4.275 0.000 1.176) 4.434 12.076 ( -4.133 0.000 0.628) 4.180 12.129 ( -3.229 0.000 0.052) 3.229 12.180 ( -0.238 0.000 0.216) 0.322 12.227 ( 0.289 0.000 -2.966) 2.980 12.268 ( 5.780 0.000 0.179) 5.783 12.431 ( 2.667 0.000 0.490) 2.712 12.484 ( 5.784 0.000 1.299) 5.928 12.751 ( -1.679 0.000 -1.061) 1.986 12.804 ( -0.154 0.000 0.269) 0.310 13.069 ( -0.279 0.000 2.244) 2.261 13.111 ( 1.458 0.000 -2.359) 2.773 13.337 ( 12.148 0.000 -0.714) 12.169 13.356 ( 14.268 0.000 2.661) 14.514 13.830 ( -10.693 0.000 0.100) 10.694 13.837 ( -11.026 0.000 -0.416) 11.034 14.137 ( -7.241 0.000 1.111) 7.325 14.143 ( 0.660 0.000 -0.501) 0.829 14.145 ( 1.862 0.000 0.876) 2.058 14.197 ( -2.891 0.000 1.097) 3.092 14.398 ( 2.767 0.000 -1.152) 2.997 14.436 ( -0.639 0.000 0.498) 0.810 14.598 ( 7.349 0.000 -0.256) 7.354 14.625 ( 19.417 0.000 -4.671) 19.971 14.956 ( 10.294 0.000 0.351) 10.300 14.965 ( 11.171 0.000 0.268) 11.174 14.991 ( 14.971 0.000 0.300) 14.974 15.124 ( 14.697 0.000 -0.227) 14.699 15.477 ( -4.848 0.000 -4.049) 6.316 15.514 ( -7.645 0.000 4.725) 8.987 15.676 ( 0.287 0.000 0.974) 1.015 15.703 ( -3.724 0.000 -0.749) 3.798 15.813 ( -3.374 0.000 -5.782) 6.694 15.886 ( -1.516 0.000 4.228) 4.491 16.215 ( 3.395 0.000 -0.936) 3.522 16.263 ( 1.207 0.000 2.681) 2.940 16.280 ( 2.040 0.000 -2.330) 3.097 16.328 ( 6.123 0.000 2.555) 6.634 17.132 ( -0.553 0.000 0.128) 0.567 17.159 ( 0.960 0.000 -0.165) 0.974 17.233 ( -1.188 0.000 1.067) 1.597 17.255 ( 0.266 0.000 -1.537) 1.560 19.604 ( 2.288 0.000 2.524) 3.407 19.636 ( 3.726 0.000 -1.930) 4.196 19.847 ( 0.819 0.000 0.290) 0.869 19.863 ( 0.959 0.000 0.071) 0.962 20.528 ( -7.143 0.000 1.177) 7.239 20.599 ( -4.009 0.000 -0.251) 4.017 20.733 ( -5.910 0.000 0.343) 5.920 20.803 ( -2.149 0.000 -1.058) 2.395 21.658 ( 6.249 0.000 -2.162) 6.613 21.687 ( 6.295 0.000 0.113) 6.296 21.808 ( 4.641 0.000 -0.055) 4.641 21.837 ( 5.444 0.000 0.987) 5.533 22.871 ( -6.562 0.000 0.414) 6.575 22.958 ( -2.123 0.000 0.403) 2.161 23.169 ( -8.676 0.000 0.317) 8.682 23.202 ( -6.504 0.000 0.276) 6.510 26.598 ( 10.976 0.000 0.427) 10.984 26.599 ( 11.451 0.000 -0.002) 11.451 26.731 ( 18.771 0.000 -4.544) 19.313 26.762 ( 21.044 0.000 5.555) 21.765 28.959 ( -23.758 0.000 -0.096) 23.758 28.977 ( -22.291 0.000 -0.416) 22.295 29.252 ( -14.591 0.000 2.019) 14.730 29.266 ( -11.594 0.000 -3.301) 12.055 29.751 ( 18.230 0.000 -0.585) 18.239 29.763 ( 20.507 0.000 1.692) 20.577 30.416 ( 4.673 0.000 -6.425) 7.945 30.418 ( 2.428 0.000 6.199) 6.657 30.541 ( 2.127 0.000 -0.339) 2.153 30.543 ( 5.024 0.000 -0.553) 5.055 30.730 ( 6.053 0.000 -3.540) 7.012 30.759 ( 5.009 0.000 5.293) 7.288 31.242 ( -1.538 0.000 0.004) 1.538 31.358 ( 5.360 0.000 0.515) 5.385 31.764 ( -9.714 0.000 7.234) 12.111 31.822 ( -5.909 0.000 -2.340) 6.356 31.863 ( -3.728 0.000 -19.816) 20.164 31.867 ( -9.208 0.000 2.609) 9.571 32.071 ( -4.827 0.000 -0.537) 4.857 32.086 ( -2.014 0.000 9.012) 9.234 32.372 ( 10.901 0.000 8.405) 13.765 32.399 ( 11.566 0.000 1.637) 11.681 32.462 ( 12.621 0.000 -4.153) 13.287 32.541 ( 12.260 0.000 1.665) 12.373 33.351 ( -2.526 0.000 0.511) 2.577 33.362 ( -1.768 0.000 0.212) 1.780 33.563 ( -3.807 0.000 -3.468) 5.149 33.596 ( -2.966 0.000 4.530) 5.415 34.581 ( -4.255 0.000 -0.422) 4.276 34.666 ( -4.014 0.000 -3.273) 5.179 34.734 ( 4.246 0.000 -0.607) 4.289 34.814 ( 3.532 0.000 0.503) 3.568 35.209 ( -0.257 0.000 0.677) 0.724 35.267 ( 3.137 0.000 -1.524) 3.487 35.413 ( 2.044 0.000 -2.016) 2.870 35.452 ( 3.189 0.000 0.666) 3.257 35.645 ( 2.905 0.000 -8.894) 9.357 35.687 ( 3.048 0.000 8.133) 8.685 35.691 ( -1.049 0.000 -7.655) 7.727 35.766 ( 1.517 0.000 8.296) 8.433 36.964 ( -5.337 0.000 -24.329) 24.907 37.078 ( -5.633 0.000 22.649) 23.339 38.075 ( -19.596 0.000 8.391) 21.317 38.084 ( -18.687 0.000 -8.103) 20.368 ======================= Grid point 87 (42/63) ======================= q-point: ( 0.25 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.081 ( 6.761 0.000 -6.250) 9.207 1.094 ( 3.656 0.000 -1.978) 4.157 1.205 ( 1.550 0.000 -3.255) 3.605 1.279 ( 2.690 0.000 -1.426) 3.045 1.294 ( 12.322 0.000 -7.887) 14.630 1.496 ( 10.415 0.000 -4.875) 11.500 1.603 ( 0.136 0.000 0.876) 0.887 1.777 ( 4.206 0.000 -0.054) 4.207 1.830 ( 5.643 0.000 -5.056) 7.577 1.904 ( 2.260 0.000 2.419) 3.311 1.942 ( 5.923 0.000 8.524) 10.380 1.950 ( 2.462 0.000 -1.784) 3.040 2.055 ( -4.126 0.000 -6.808) 7.961 2.116 ( 0.669 0.000 -7.623) 7.652 2.161 ( -6.064 0.000 10.705) 12.303 2.342 ( -2.631 0.000 -1.202) 2.893 2.452 ( 4.770 0.000 -2.177) 5.243 2.642 ( 4.508 0.000 -7.006) 8.331 2.650 ( 0.474 0.000 -0.067) 0.479 2.693 ( -0.272 0.000 -10.823) 10.826 2.812 ( -2.625 0.000 11.414) 11.712 2.869 ( 10.191 0.000 -2.143) 10.414 2.918 ( -4.350 0.000 3.343) 5.486 2.969 ( 3.127 0.000 -3.119) 4.417 3.028 ( 5.448 0.000 -6.347) 8.365 3.083 ( 14.613 0.000 6.532) 16.006 3.152 ( 10.845 0.000 -1.043) 10.895 3.162 ( 7.153 0.000 -0.292) 7.158 3.239 ( 2.855 0.000 0.992) 3.022 3.405 ( 3.796 0.000 0.332) 3.810 3.414 ( 5.496 0.000 4.383) 7.030 3.521 ( 6.756 0.000 3.455) 7.589 3.570 ( 2.247 0.000 -3.112) 3.838 3.581 ( 6.744 0.000 -7.078) 9.777 3.667 ( -2.417 0.000 -3.596) 4.333 3.838 ( 1.421 0.000 -0.328) 1.459 3.848 ( 1.291 0.000 -1.080) 1.683 3.986 ( -1.334 0.000 2.003) 2.407 4.017 ( 0.460 0.000 0.314) 0.557 4.159 ( -0.924 0.000 7.255) 7.313 4.266 ( -10.644 0.000 0.452) 10.653 4.300 ( 1.180 0.000 -4.355) 4.512 4.354 ( -2.347 0.000 -2.268) 3.264 4.523 ( -1.414 0.000 2.362) 2.753 4.536 ( 0.111 0.000 3.720) 3.722 4.651 ( -0.732 0.000 7.047) 7.085 4.659 ( 3.983 0.000 7.981) 8.920 4.691 ( 1.024 0.000 -4.782) 4.890 4.810 ( -3.897 0.000 2.093) 4.424 4.886 ( -4.508 0.000 1.614) 4.788 4.963 ( 2.102 0.000 3.179) 3.811 5.024 ( -1.752 0.000 -0.035) 1.753 5.118 ( 0.250 0.000 -2.222) 2.236 5.191 ( 0.854 0.000 8.915) 8.956 5.201 ( -4.260 0.000 -1.698) 4.586 5.272 ( 1.165 0.000 3.607) 3.790 5.475 ( -4.101 0.000 2.805) 4.969 5.479 ( 0.139 0.000 -5.013) 5.015 5.532 ( 2.536 0.000 -0.201) 2.543 5.698 ( 7.452 0.000 1.937) 7.700 5.714 ( -8.984 0.000 -5.374) 10.469 5.803 ( -1.094 0.000 -3.667) 3.827 5.984 ( -0.037 0.000 0.433) 0.435 6.008 ( -2.288 0.000 -1.880) 2.961 6.245 ( -3.845 0.000 -3.379) 5.119 6.310 ( 1.693 0.000 -0.991) 1.961 6.337 ( 4.513 0.000 -0.323) 4.524 6.546 ( -1.482 0.000 -0.139) 1.488 6.672 ( 5.152 0.000 6.228) 8.082 6.795 ( 3.022 0.000 -5.147) 5.968 6.856 ( -5.368 0.000 -3.025) 6.161 6.897 ( 3.219 0.000 2.152) 3.872 6.934 ( 4.530 0.000 -3.160) 5.523 6.956 ( -4.725 0.000 0.399) 4.742 7.092 ( -3.339 0.000 1.191) 3.545 7.369 ( -2.701 0.000 -3.029) 4.059 7.824 ( -15.948 0.000 0.645) 15.961 7.934 ( -13.046 0.000 1.285) 13.109 8.163 ( -18.011 0.000 1.102) 18.045 8.338 ( -11.205 0.000 -0.216) 11.207 8.638 ( 4.087 0.000 -1.905) 4.509 8.748 ( -0.151 0.000 -1.321) 1.330 8.870 ( 0.037 0.000 2.683) 2.683 8.987 ( 0.347 0.000 2.077) 2.106 9.045 ( 1.378 0.000 -3.185) 3.471 9.061 ( 2.462 0.000 1.976) 3.157 9.142 ( 5.408 0.000 -0.152) 5.410 9.167 ( 2.290 0.000 2.704) 3.543 9.315 ( 2.476 0.000 -2.006) 3.187 9.372 ( 9.017 0.000 0.722) 9.046 9.384 ( 4.792 0.000 2.655) 5.478 9.457 ( 6.225 0.000 0.712) 6.266 9.751 ( -5.737 0.000 -4.302) 7.171 9.776 ( -3.721 0.000 -0.323) 3.735 9.913 ( -2.321 0.000 -2.974) 3.773 9.930 ( -12.776 0.000 2.130) 12.953 10.023 ( -9.180 0.000 -0.375) 9.188 10.096 ( -7.404 0.000 2.653) 7.865 10.230 ( -9.967 0.000 -2.066) 10.179 10.343 ( -5.724 0.000 1.559) 5.933 10.559 ( -2.310 0.000 0.739) 2.426 10.593 ( -3.709 0.000 2.020) 4.223 10.758 ( -3.226 0.000 -2.177) 3.892 10.813 ( -7.767 0.000 1.047) 7.837 11.376 ( 12.823 0.000 0.481) 12.832 11.415 ( 7.843 0.000 -0.464) 7.857 11.443 ( 7.314 0.000 0.447) 7.327 11.524 ( 5.575 0.000 0.103) 5.576 11.879 ( 3.512 0.000 1.102) 3.681 11.920 ( 0.240 0.000 -0.811) 0.846 12.040 ( -1.331 0.000 1.330) 1.882 12.047 ( -3.855 0.000 -1.237) 4.048 12.157 ( 4.316 0.000 -0.011) 4.316 12.174 ( -0.822 0.000 1.835) 2.010 12.257 ( 5.451 0.000 -1.128) 5.566 12.325 ( 1.821 0.000 -2.112) 2.789 12.504 ( 3.728 0.000 1.344) 3.962 12.573 ( 2.419 0.000 -0.341) 2.443 12.739 ( 0.688 0.000 0.415) 0.804 12.780 ( -2.535 0.000 -0.940) 2.704 13.106 ( 2.164 0.000 1.362) 2.557 13.121 ( 2.693 0.000 -1.430) 3.049 13.553 ( 13.486 0.000 -0.452) 13.493 13.632 ( 4.488 0.000 2.952) 5.371 13.639 ( -10.009 0.000 -0.668) 10.032 13.645 ( -3.852 0.000 0.765) 3.927 14.026 ( -5.670 0.000 0.646) 5.707 14.121 ( -2.583 0.000 -0.338) 2.605 14.161 ( -1.999 0.000 0.076) 2.000 14.195 ( 1.432 0.000 0.688) 1.589 14.390 ( -1.336 0.000 -1.497) 2.006 14.441 ( 0.228 0.000 0.301) 0.378 14.799 ( 10.343 0.000 3.479) 10.913 14.857 ( 12.293 0.000 -4.376) 13.049 15.173 ( 10.061 0.000 1.926) 10.244 15.193 ( 12.735 0.000 0.951) 12.770 15.268 ( 10.127 0.000 0.682) 10.150 15.287 ( -0.467 0.000 -1.571) 1.639 15.379 ( 4.599 0.000 -3.018) 5.501 15.410 ( -3.798 0.000 1.913) 4.253 15.660 ( 0.303 0.000 -2.704) 2.721 15.705 ( 0.066 0.000 -1.618) 1.619 15.797 ( 6.845 0.000 6.146) 9.199 15.871 ( -4.347 0.000 2.546) 5.038 16.268 ( 3.273 0.000 -1.558) 3.625 16.285 ( 1.622 0.000 -1.371) 2.124 16.313 ( 0.423 0.000 3.228) 3.256 16.441 ( 0.344 0.000 3.731) 3.747 17.129 ( 0.008 0.000 0.219) 0.219 17.178 ( 1.465 0.000 -0.012) 1.465 17.229 ( -0.729 0.000 1.059) 1.286 17.234 ( 0.084 0.000 -2.176) 2.178 19.677 ( 4.783 0.000 -2.023) 5.193 19.710 ( 5.523 0.000 3.111) 6.339 19.906 ( 4.239 0.000 0.084) 4.240 19.933 ( 7.152 0.000 2.071) 7.446 20.402 ( -8.968 0.000 1.507) 9.093 20.477 ( -8.440 0.000 -1.326) 8.544 20.629 ( -7.358 0.000 1.800) 7.575 20.723 ( -5.735 0.000 -0.671) 5.774 21.784 ( 10.441 0.000 -1.148) 10.504 21.790 ( 9.159 0.000 -2.772) 9.569 21.952 ( 10.041 0.000 0.817) 10.074 21.980 ( 9.502 0.000 0.407) 9.511 22.742 ( -9.040 0.000 0.913) 9.086 22.881 ( -7.407 0.000 -0.170) 7.409 22.996 ( -11.035 0.000 0.795) 11.064 23.048 ( -10.369 0.000 -0.742) 10.396 26.841 ( 16.979 0.000 -0.991) 17.008 26.870 ( 18.078 0.000 1.875) 18.175 27.030 ( 22.919 0.000 -5.693) 23.616 27.386 ( 26.968 0.000 19.579) 33.326 28.555 ( -22.731 0.000 0.047) 22.731 28.576 ( -23.030 0.000 -0.851) 23.046 28.946 ( -20.664 0.000 -2.263) 20.788 28.957 ( -19.262 0.000 0.382) 19.266 30.028 ( 14.816 0.000 -0.992) 14.850 30.111 ( 16.754 0.000 1.670) 16.837 30.473 ( 9.596 0.000 -3.927) 10.369 30.520 ( 2.675 0.000 2.496) 3.659 30.550 ( 1.033 0.000 -1.908) 2.169 30.676 ( 9.154 0.000 1.712) 9.313 30.858 ( 9.886 0.000 0.950) 9.932 30.932 ( 5.662 0.000 7.940) 9.752 31.192 ( -4.679 0.000 -0.252) 4.686 31.394 ( -5.850 0.000 0.752) 5.898 31.604 ( -6.167 0.000 -6.584) 9.021 31.663 ( -8.571 0.000 4.253) 9.568 31.742 ( 0.395 0.000 -2.808) 2.836 31.749 ( -1.332 0.000 0.298) 1.365 32.037 ( 0.827 0.000 1.218) 1.472 32.260 ( 2.573 0.000 12.928) 13.181 32.594 ( 11.557 0.000 -2.560) 11.837 32.659 ( 6.963 0.000 10.706) 12.771 32.690 ( 14.036 0.000 1.757) 14.145 32.765 ( 8.576 0.000 2.604) 8.962 33.266 ( -5.027 0.000 -3.795) 6.299 33.339 ( -2.955 0.000 3.388) 4.495 33.475 ( -6.147 0.000 3.041) 6.858 33.577 ( -6.529 0.000 4.897) 8.161 34.510 ( -2.795 0.000 -0.364) 2.819 34.563 ( -2.164 0.000 -3.244) 3.899 34.782 ( 3.363 0.000 -2.594) 4.247 34.849 ( 2.323 0.000 -2.976) 3.776 35.229 ( 0.735 0.000 1.926) 2.062 35.300 ( 2.989 0.000 -2.014) 3.604 35.433 ( 3.789 0.000 -3.271) 5.006 35.499 ( 1.960 0.000 -0.873) 2.146 35.591 ( 0.820 0.000 -7.083) 7.131 35.602 ( 4.103 0.000 -7.870) 8.875 35.858 ( 5.063 0.000 6.785) 8.466 35.875 ( 0.695 0.000 3.143) 3.219 36.581 ( -1.913 0.000 -21.945) 22.029 37.163 ( -11.416 0.000 14.628) 18.556 37.486 ( -23.907 0.000 -21.597) 32.218 37.810 ( -23.633 0.000 9.336) 25.410 ======================= Grid point 88 (43/63) ======================= q-point: ( 0.38 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( 4.884 0.000 -2.790) 5.624 1.131 ( 4.171 0.000 -3.451) 5.414 1.195 ( 0.390 0.000 -0.748) 0.843 1.269 ( -0.796 0.000 -2.275) 2.410 1.464 ( 9.735 0.000 -0.987) 9.785 1.627 ( 10.676 0.000 -5.752) 12.127 1.629 ( 0.512 0.000 2.128) 2.189 1.751 ( -3.207 0.000 -5.013) 5.951 1.809 ( -1.845 0.000 -7.151) 7.386 1.818 ( -5.475 0.000 -6.957) 8.853 1.890 ( 5.898 0.000 3.466) 6.841 2.044 ( 7.228 0.000 5.214) 8.913 2.156 ( -1.088 0.000 7.846) 7.921 2.206 ( 11.732 0.000 -3.327) 12.195 2.291 ( 5.678 0.000 6.153) 8.372 2.319 ( -4.811 0.000 6.959) 8.460 2.442 ( -5.055 0.000 -7.442) 8.997 2.551 ( 12.467 0.000 -5.694) 13.706 2.625 ( -4.771 0.000 1.225) 4.926 2.747 ( -9.826 0.000 3.204) 10.335 2.766 ( 3.009 0.000 0.793) 3.112 2.909 ( -0.755 0.000 -3.367) 3.450 3.013 ( 8.884 0.000 -5.212) 10.300 3.019 ( -0.120 0.000 -4.768) 4.770 3.080 ( 8.771 0.000 -8.730) 12.375 3.104 ( -5.918 0.000 -0.881) 5.983 3.287 ( 13.578 0.000 -2.937) 13.891 3.351 ( 10.227 0.000 -1.825) 10.389 3.364 ( 10.723 0.000 -2.767) 11.074 3.401 ( -4.762 0.000 -0.710) 4.814 3.551 ( -1.423 0.000 4.018) 4.262 3.553 ( 10.145 0.000 -2.446) 10.435 3.604 ( -3.919 0.000 4.566) 6.018 3.647 ( 9.083 0.000 -2.842) 9.518 3.682 ( 9.172 0.000 -0.403) 9.181 3.814 ( -8.286 0.000 -3.898) 9.157 3.928 ( -3.835 0.000 1.663) 4.180 3.934 ( 1.933 0.000 0.983) 2.169 4.056 ( 1.749 0.000 5.867) 6.122 4.213 ( -3.939 0.000 8.795) 9.637 4.252 ( 1.241 0.000 6.109) 6.234 4.323 ( 5.093 0.000 -0.784) 5.153 4.339 ( 3.067 0.000 0.223) 3.075 4.477 ( -3.640 0.000 -4.446) 5.746 4.538 ( -0.519 0.000 2.999) 3.043 4.665 ( 0.328 0.000 -2.196) 2.220 4.705 ( -0.213 0.000 -0.040) 0.216 4.737 ( -5.233 0.000 -0.255) 5.239 4.746 ( -3.380 0.000 2.696) 4.324 4.769 ( -7.614 0.000 0.162) 7.616 4.961 ( -3.109 0.000 -1.285) 3.364 4.964 ( -5.678 0.000 0.307) 5.687 5.126 ( 2.937 0.000 0.084) 2.938 5.137 ( -4.039 0.000 3.322) 5.230 5.247 ( -4.305 0.000 -2.326) 4.893 5.322 ( 1.405 0.000 5.653) 5.824 5.454 ( -1.880 0.000 8.765) 8.965 5.469 ( 5.478 0.000 -3.418) 6.457 5.567 ( -5.960 0.000 0.235) 5.965 5.585 ( 4.892 0.000 -2.348) 5.427 5.738 ( -2.680 0.000 0.591) 2.744 5.810 ( 2.532 0.000 1.008) 2.725 5.972 ( 0.610 0.000 -2.380) 2.457 5.978 ( -1.294 0.000 -0.267) 1.321 6.196 ( 1.281 0.000 -0.077) 1.283 6.359 ( 4.985 0.000 -1.620) 5.242 6.441 ( 5.722 0.000 -0.901) 5.792 6.501 ( -2.315 0.000 -4.447) 5.014 6.758 ( 2.286 0.000 -4.215) 4.796 6.763 ( 0.193 0.000 4.082) 4.087 6.838 ( 3.845 0.000 1.274) 4.050 6.895 ( -3.235 0.000 2.410) 4.034 6.985 ( 2.060 0.000 1.473) 2.533 7.006 ( 6.573 0.000 -2.214) 6.936 7.093 ( -2.030 0.000 2.037) 2.876 7.229 ( -8.530 0.000 -3.996) 9.420 7.637 ( -7.762 0.000 3.845) 8.662 7.758 ( -7.761 0.000 0.531) 7.779 7.941 ( -9.002 0.000 3.056) 9.506 8.149 ( -9.745 0.000 -0.545) 9.760 8.674 ( 2.388 0.000 -2.004) 3.117 8.724 ( -0.238 0.000 -2.003) 2.017 8.911 ( 0.658 0.000 2.485) 2.570 8.988 ( -1.031 0.000 0.118) 1.037 9.051 ( 3.710 0.000 -1.729) 4.094 9.113 ( 0.326 0.000 1.827) 1.856 9.219 ( -0.238 0.000 2.842) 2.852 9.222 ( 3.488 0.000 -0.008) 3.488 9.347 ( 4.497 0.000 -1.018) 4.611 9.441 ( 2.551 0.000 -0.633) 2.628 9.523 ( -2.076 0.000 2.609) 3.334 9.537 ( 5.434 0.000 -1.225) 5.571 9.580 ( -8.115 0.000 -1.829) 8.319 9.702 ( -2.660 0.000 0.933) 2.818 9.792 ( -10.399 0.000 -3.708) 11.041 9.806 ( -3.552 0.000 2.500) 4.343 9.877 ( 2.540 0.000 -3.638) 4.437 10.016 ( -6.271 0.000 0.666) 6.306 10.120 ( -2.305 0.000 0.726) 2.417 10.264 ( -5.380 0.000 0.119) 5.382 10.534 ( -1.206 0.000 0.150) 1.215 10.551 ( -3.191 0.000 1.079) 3.369 10.699 ( -1.475 0.000 -0.559) 1.578 10.712 ( -4.691 0.000 1.084) 4.815 11.483 ( 1.766 0.000 1.167) 2.117 11.543 ( 6.274 0.000 -1.322) 6.412 11.583 ( 6.132 0.000 0.041) 6.132 11.597 ( 3.655 0.000 -0.409) 3.678 11.921 ( -0.338 0.000 0.173) 0.380 11.938 ( 2.039 0.000 -0.405) 2.079 11.990 ( -1.091 0.000 -0.024) 1.091 12.034 ( -1.142 0.000 0.139) 1.150 12.217 ( 0.786 0.000 3.249) 3.343 12.237 ( 4.225 0.000 0.285) 4.234 12.321 ( 1.753 0.000 -0.415) 1.801 12.340 ( 6.100 0.000 -1.794) 6.358 12.568 ( 2.509 0.000 -0.051) 2.510 12.568 ( -0.259 0.000 -1.856) 1.874 12.697 ( -5.113 0.000 -0.856) 5.184 12.736 ( -3.084 0.000 0.656) 3.153 13.172 ( 4.789 0.000 -0.932) 4.879 13.181 ( 4.949 0.000 0.435) 4.968 13.477 ( -7.654 0.000 -0.608) 7.678 13.491 ( -7.497 0.000 0.375) 7.506 13.775 ( 10.793 0.000 1.093) 10.848 13.822 ( 7.453 0.000 1.135) 7.539 13.967 ( -2.309 0.000 0.392) 2.342 14.082 ( -1.361 0.000 0.737) 1.548 14.123 ( -0.795 0.000 -2.589) 2.708 14.205 ( 0.323 0.000 -1.191) 1.234 14.338 ( -3.162 0.000 0.249) 3.172 14.426 ( -2.695 0.000 -0.329) 2.715 14.949 ( 5.585 0.000 -2.798) 6.247 14.951 ( 3.441 0.000 1.887) 3.924 15.178 ( -3.972 0.000 -2.347) 4.614 15.218 ( -7.397 0.000 1.593) 7.566 15.334 ( 6.416 0.000 -0.289) 6.423 15.382 ( 6.152 0.000 0.494) 6.172 15.470 ( 2.327 0.000 0.351) 2.354 15.521 ( 6.178 0.000 -0.500) 6.198 15.662 ( 7.738 0.000 -0.638) 7.765 15.792 ( 6.339 0.000 0.230) 6.343 15.800 ( -3.051 0.000 0.920) 3.187 15.976 ( 1.132 0.000 4.933) 5.062 16.261 ( -1.052 0.000 -0.175) 1.067 16.327 ( 4.206 0.000 -1.703) 4.538 16.348 ( -1.611 0.000 3.296) 3.669 16.401 ( -7.090 0.000 0.614) 7.117 17.138 ( 0.540 0.000 0.438) 0.695 17.205 ( 0.076 0.000 -0.563) 0.568 17.209 ( 1.632 0.000 -1.718) 2.369 17.226 ( -1.250 0.000 0.967) 1.581 19.779 ( 8.752 0.000 -0.612) 8.774 19.854 ( 7.373 0.000 1.716) 7.570 19.992 ( 3.563 0.000 0.575) 3.609 20.072 ( 3.379 0.000 1.452) 3.678 20.275 ( -7.245 0.000 2.116) 7.548 20.311 ( -7.337 0.000 -1.287) 7.449 20.532 ( -6.757 0.000 2.777) 7.306 20.605 ( -5.896 0.000 -0.805) 5.950 21.954 ( 11.610 0.000 -1.434) 11.698 21.964 ( 9.627 0.000 0.386) 9.635 22.134 ( 9.565 0.000 0.611) 9.584 22.155 ( 10.216 0.000 -0.291) 10.220 22.600 ( -8.161 0.000 0.810) 8.201 22.714 ( -9.280 0.000 -2.172) 9.531 22.828 ( -9.926 0.000 1.758) 10.081 22.857 ( -9.619 0.000 -0.814) 9.654 27.141 ( 18.490 0.000 -0.918) 18.513 27.217 ( 17.538 0.000 1.753) 17.626 27.378 ( 23.672 0.000 -3.004) 23.861 27.921 ( 6.848 0.000 10.562) 12.588 28.182 ( -19.769 0.000 -1.355) 19.816 28.197 ( -18.286 0.000 1.138) 18.321 28.556 ( -19.556 0.000 0.891) 19.576 28.666 ( -14.882 0.000 1.870) 14.999 30.234 ( 9.763 0.000 -0.277) 9.767 30.347 ( 9.501 0.000 -1.406) 9.605 30.531 ( 0.424 0.000 -1.389) 1.453 30.570 ( 1.009 0.000 0.368) 1.074 30.661 ( 12.079 0.000 2.336) 12.303 30.840 ( 7.863 0.000 -0.181) 7.865 31.029 ( -0.749 0.000 2.797) 2.896 31.119 ( 3.932 0.000 0.426) 3.955 31.133 ( 2.283 0.000 7.457) 7.799 31.227 ( -10.267 0.000 2.899) 10.668 31.471 ( -4.991 0.000 0.046) 4.991 31.514 ( -11.916 0.000 2.940) 12.273 31.760 ( 3.669 0.000 -0.892) 3.776 31.840 ( 2.309 0.000 3.928) 4.556 32.152 ( 8.747 0.000 4.579) 9.873 32.439 ( -0.387 0.000 11.127) 11.134 32.727 ( 7.267 0.000 -3.260) 7.965 32.755 ( -6.068 0.000 2.872) 6.713 32.950 ( 11.902 0.000 0.223) 11.904 32.958 ( 13.339 0.000 2.580) 13.586 33.127 ( -4.092 0.000 -3.019) 5.085 33.326 ( -6.354 0.000 5.219) 8.223 33.402 ( -7.701 0.000 3.724) 8.554 33.483 ( -9.582 0.000 2.454) 9.892 34.504 ( 0.347 0.000 3.240) 3.258 34.539 ( 1.348 0.000 0.949) 1.649 34.781 ( 1.850 0.000 -4.728) 5.077 34.823 ( 1.112 0.000 -5.645) 5.753 35.280 ( 1.825 0.000 2.530) 3.120 35.316 ( 1.819 0.000 -2.101) 2.779 35.448 ( 4.254 0.000 -5.914) 7.285 35.488 ( 0.043 0.000 -3.820) 3.820 35.556 ( 3.109 0.000 -3.794) 4.905 35.590 ( 3.809 0.000 -5.330) 6.551 35.797 ( -5.255 0.000 -6.168) 8.103 35.920 ( -3.434 0.000 -5.010) 6.074 36.495 ( 12.764 0.000 -5.927) 14.073 37.033 ( 3.787 0.000 -13.541) 14.061 37.053 ( -16.171 0.000 6.466) 17.415 37.494 ( -24.390 0.000 6.452) 25.229 ======================= Grid point 89 (44/63) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 0.166 0.000 -1.021) 1.034 1.160 ( 0.105 0.000 -1.541) 1.544 1.183 ( 0.562 0.000 -0.098) 0.571 1.206 ( -1.756 0.000 -2.152) 2.777 1.545 ( 0.578 0.000 2.575) 2.639 1.597 ( -6.533 0.000 -3.300) 7.319 1.651 ( 0.960 0.000 -5.591) 5.673 1.653 ( -2.908 0.000 -4.256) 5.155 1.703 ( 2.538 0.000 -0.367) 2.564 1.751 ( 1.769 0.000 -2.676) 3.207 2.135 ( 10.296 0.000 9.899) 14.283 2.192 ( -2.278 0.000 5.454) 5.910 2.243 ( -10.607 0.000 3.893) 11.299 2.265 ( 7.420 0.000 2.145) 7.724 2.314 ( 2.300 0.000 -3.016) 3.793 2.334 ( -5.624 0.000 -6.492) 8.589 2.454 ( 11.116 0.000 4.747) 12.087 2.530 ( -6.550 0.000 -2.147) 6.893 2.637 ( -10.817 0.000 6.653) 12.699 2.706 ( 11.373 0.000 -4.680) 12.298 2.726 ( -14.187 0.000 2.981) 14.497 2.871 ( 6.273 0.000 -0.292) 6.280 2.906 ( 1.095 0.000 -3.000) 3.193 2.937 ( 1.963 0.000 -7.157) 7.421 3.148 ( 1.485 0.000 -0.455) 1.553 3.179 ( -8.924 0.000 0.386) 8.932 3.181 ( 8.254 0.000 -2.034) 8.501 3.325 ( -4.720 0.000 -9.266) 10.399 3.455 ( -12.172 0.000 -0.838) 12.201 3.492 ( -11.913 0.000 4.237) 12.644 3.523 ( 8.292 0.000 -4.588) 9.477 3.604 ( 14.218 0.000 -2.787) 14.489 3.676 ( -4.135 0.000 2.009) 4.597 3.691 ( 3.493 0.000 5.823) 6.790 3.761 ( 3.810 0.000 -2.133) 4.366 3.818 ( 7.993 0.000 -4.519) 9.182 3.877 ( -4.432 0.000 0.635) 4.478 3.905 ( -1.646 0.000 -1.711) 2.375 4.179 ( 1.596 0.000 7.779) 7.941 4.275 ( -0.478 0.000 2.403) 2.450 4.295 ( -2.239 0.000 3.434) 4.100 4.339 ( 0.037 0.000 -0.657) 0.658 4.398 ( -0.721 0.000 -2.465) 2.569 4.417 ( 2.518 0.000 0.280) 2.533 4.551 ( -2.181 0.000 2.286) 3.160 4.626 ( -0.954 0.000 -3.797) 3.915 4.659 ( -1.788 0.000 1.764) 2.511 4.683 ( -1.615 0.000 -0.739) 1.776 4.750 ( 6.168 0.000 3.778) 7.233 4.762 ( 4.080 0.000 0.697) 4.139 4.854 ( -4.829 0.000 -2.073) 5.255 4.871 ( -0.879 0.000 -3.514) 3.622 5.110 ( -4.588 0.000 3.833) 5.978 5.198 ( 5.823 0.000 -4.501) 7.360 5.219 ( -1.467 0.000 7.661) 7.800 5.361 ( 0.882 0.000 -4.058) 4.152 5.472 ( -6.704 0.000 3.075) 7.375 5.516 ( 2.812 0.000 0.702) 2.899 5.518 ( -2.646 0.000 5.297) 5.921 5.618 ( 4.843 0.000 -6.409) 8.033 5.781 ( 1.517 0.000 5.499) 5.704 5.860 ( 3.635 0.000 -1.482) 3.926 5.927 ( -3.501 0.000 -0.023) 3.501 5.956 ( 1.170 0.000 -2.370) 2.643 6.268 ( 3.493 0.000 3.495) 4.941 6.360 ( -3.890 0.000 -5.336) 6.604 6.428 ( 2.057 0.000 -0.304) 2.079 6.444 ( -2.306 0.000 -1.941) 3.014 6.825 ( -4.257 0.000 1.315) 4.456 6.842 ( 7.216 0.000 -0.367) 7.225 6.869 ( -3.183 0.000 3.188) 4.505 6.919 ( 3.818 0.000 2.438) 4.530 6.967 ( -2.873 0.000 -3.872) 4.821 6.992 ( -0.483 0.000 -2.450) 2.497 7.060 ( -3.043 0.000 3.435) 4.589 7.118 ( 1.984 0.000 -2.332) 3.062 7.641 ( 1.183 0.000 3.770) 3.951 7.693 ( 0.184 0.000 -1.149) 1.164 7.944 ( 3.142 0.000 4.287) 5.316 8.014 ( -2.999 0.000 -2.462) 3.880 8.682 ( 1.244 0.000 -0.992) 1.591 8.691 ( -0.795 0.000 -1.817) 1.984 8.943 ( 0.044 0.000 1.914) 1.915 8.967 ( -0.962 0.000 -0.616) 1.142 9.105 ( -3.613 0.000 1.266) 3.829 9.118 ( 3.996 0.000 -0.397) 4.015 9.230 ( -2.064 0.000 2.294) 3.086 9.259 ( 1.448 0.000 -0.377) 1.496 9.436 ( -0.472 0.000 1.995) 2.050 9.472 ( 2.948 0.000 -1.312) 3.227 9.473 ( 0.883 0.000 0.483) 1.006 9.512 ( 0.639 0.000 2.968) 3.036 9.513 ( -4.546 0.000 -3.345) 5.644 9.575 ( -2.645 0.000 -3.255) 4.194 9.780 ( 4.313 0.000 0.804) 4.387 9.793 ( -1.323 0.000 -0.424) 1.389 9.928 ( -5.243 0.000 -0.594) 5.277 9.931 ( 6.417 0.000 -1.008) 6.495 10.135 ( 3.495 0.000 1.427) 3.775 10.166 ( -3.759 0.000 -1.669) 4.113 10.520 ( -1.493 0.000 0.890) 1.738 10.529 ( 0.759 0.000 0.003) 0.759 10.680 ( -0.780 0.000 0.811) 1.125 10.691 ( 0.985 0.000 -0.229) 1.011 11.515 ( -0.374 0.000 2.001) 2.036 11.560 ( -0.128 0.000 -2.276) 2.280 11.638 ( -0.210 0.000 0.179) 0.276 11.641 ( 0.285 0.000 -0.068) 0.294 11.920 ( 0.045 0.000 0.591) 0.593 11.936 ( -0.614 0.000 -0.913) 1.100 11.998 ( 0.832 0.000 0.904) 1.228 12.013 ( -0.597 0.000 -0.600) 0.846 12.232 ( -2.644 0.000 3.079) 4.058 12.282 ( 1.666 0.000 -1.402) 2.177 12.381 ( 1.592 0.000 0.851) 1.805 12.402 ( 0.999 0.000 -1.427) 1.742 12.552 ( 0.661 0.000 -0.052) 0.663 12.568 ( -2.902 0.000 -1.568) 3.299 12.651 ( 3.087 0.000 0.849) 3.202 12.670 ( -2.105 0.000 -0.986) 2.325 13.236 ( 1.504 0.000 -0.122) 1.509 13.237 ( -1.593 0.000 -0.155) 1.601 13.397 ( 1.521 0.000 -0.045) 1.522 13.399 ( -1.720 0.000 -0.178) 1.729 13.914 ( 1.562 0.000 0.834) 1.771 13.930 ( -3.126 0.000 0.657) 3.194 13.940 ( 5.543 0.000 2.380) 6.033 14.021 ( -4.415 0.000 -3.932) 5.912 14.128 ( 1.941 0.000 1.557) 2.489 14.170 ( -2.245 0.000 -2.316) 3.225 14.327 ( 1.580 0.000 1.849) 2.432 14.365 ( -1.023 0.000 -1.811) 2.080 14.991 ( -1.356 0.000 0.704) 1.528 15.015 ( 3.111 0.000 -1.568) 3.483 15.111 ( -4.466 0.000 0.888) 4.554 15.126 ( 2.332 0.000 -0.579) 2.403 15.410 ( -3.584 0.000 0.288) 3.596 15.422 ( 3.463 0.000 -0.727) 3.538 15.507 ( 3.412 0.000 0.645) 3.473 15.521 ( -3.105 0.000 -0.658) 3.174 15.794 ( -1.331 0.000 0.080) 1.333 15.795 ( 1.761 0.000 0.043) 1.761 15.922 ( 9.422 0.000 1.770) 9.587 15.936 ( -8.267 0.000 0.352) 8.274 16.268 ( 2.430 0.000 1.036) 2.642 16.291 ( -3.326 0.000 -1.074) 3.495 16.337 ( -3.329 0.000 2.072) 3.921 16.378 ( 3.863 0.000 -1.681) 4.213 17.154 ( 0.355 0.000 0.795) 0.870 17.176 ( -0.787 0.000 -1.299) 1.519 17.214 ( -1.296 0.000 0.877) 1.565 17.233 ( 1.796 0.000 -0.940) 2.027 19.929 ( 6.916 0.000 -0.156) 6.918 19.932 ( -5.681 0.000 -0.420) 5.696 20.026 ( 5.546 0.000 0.574) 5.576 20.034 ( -5.221 0.000 -0.146) 5.223 20.226 ( -3.716 0.000 2.599) 4.535 20.252 ( 0.227 0.000 0.416) 0.474 20.492 ( -0.710 0.000 2.751) 2.841 20.546 ( 1.846 0.000 -2.011) 2.730 22.055 ( -1.297 0.000 0.596) 1.427 22.070 ( 1.568 0.000 -0.892) 1.804 22.263 ( 0.715 0.000 1.040) 1.262 22.276 ( 0.088 0.000 -0.222) 0.239 22.523 ( 1.369 0.000 0.766) 1.568 22.556 ( -2.048 0.000 -2.438) 3.184 22.741 ( -0.937 0.000 1.245) 1.559 22.758 ( 0.806 0.000 -0.406) 0.903 27.380 ( -5.192 0.000 0.066) 5.193 27.381 ( 5.026 0.000 0.030) 5.026 27.742 ( 17.730 0.000 2.020) 17.845 27.782 ( -20.276 0.000 -2.034) 20.378 27.981 ( -5.390 0.000 0.685) 5.434 28.003 ( 6.925 0.000 -1.603) 7.108 28.498 ( 5.888 0.000 3.455) 6.827 28.516 ( -4.482 0.000 1.731) 4.805 30.343 ( 1.795 0.000 1.098) 2.104 30.377 ( -2.870 0.000 -2.114) 3.564 30.551 ( 2.169 0.000 0.232) 2.182 30.558 ( -2.292 0.000 -0.196) 2.300 30.908 ( 5.150 0.000 4.011) 6.528 30.943 ( -0.280 0.000 0.923) 0.964 30.949 ( 0.786 0.000 0.080) 0.790 30.983 ( -5.429 0.000 -3.397) 6.405 31.282 ( 5.245 0.000 2.954) 6.020 31.309 ( -3.613 0.000 0.357) 3.631 31.368 ( -4.072 0.000 7.239) 8.306 31.440 ( 2.470 0.000 -0.010) 2.470 31.839 ( 5.305 0.000 1.285) 5.458 31.845 ( -4.439 0.000 0.680) 4.490 32.433 ( 14.602 0.000 5.847) 15.729 32.436 ( -14.059 0.000 5.814) 15.214 32.696 ( 1.068 0.000 -1.077) 1.517 32.716 ( -3.624 0.000 -3.205) 4.838 33.081 ( 0.315 0.000 -0.381) 0.495 33.086 ( 1.883 0.000 -0.983) 2.124 33.203 ( 6.667 0.000 4.128) 7.842 33.243 ( -7.604 0.000 0.252) 7.608 33.342 ( 1.187 0.000 1.996) 2.323 33.358 ( -1.770 0.000 0.409) 1.817 34.583 ( 0.952 0.000 6.339) 6.410 34.616 ( 1.676 0.000 5.337) 5.595 34.725 ( -0.173 0.000 -7.045) 7.047 34.757 ( 0.530 0.000 -6.898) 6.918 35.312 ( 0.030 0.000 -1.070) 1.071 35.335 ( 2.627 0.000 -1.109) 2.852 35.423 ( -1.117 0.000 -3.850) 4.009 35.440 ( 3.297 0.000 -5.495) 6.408 35.582 ( 4.457 0.000 -2.410) 5.067 35.614 ( 1.588 0.000 2.289) 2.786 35.650 ( -5.219 0.000 -3.198) 6.121 35.707 ( -5.108 0.000 -8.926) 10.284 36.775 ( 19.507 0.000 1.404) 19.558 36.785 ( -19.142 0.000 0.396) 19.146 37.141 ( -23.140 0.000 3.550) 23.411 37.201 ( 21.163 0.000 -2.402) 21.299 ======================= Grid point 90 (45/63) ======================= q-point: (-0.38 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -6.919 0.000 1.096) 7.006 1.089 ( -6.534 0.000 1.218) 6.646 1.193 ( -0.154 0.000 -0.525) 0.548 1.224 ( 0.792 0.000 1.594) 1.780 1.448 ( -9.673 0.000 0.707) 9.699 1.489 ( -9.546 0.000 4.048) 10.368 1.650 ( 0.525 0.000 3.452) 3.491 1.682 ( 5.179 0.000 1.645) 5.434 1.721 ( -0.553 0.000 2.321) 2.386 1.726 ( -1.452 0.000 -1.689) 2.227 2.049 ( -8.014 0.000 -11.490) 14.009 2.064 ( -12.344 0.000 4.843) 13.260 2.232 ( 0.787 0.000 -1.122) 1.370 2.240 ( -9.304 0.000 -3.857) 10.072 2.294 ( -8.390 0.000 0.973) 8.447 2.359 ( 0.585 0.000 -0.381) 0.699 2.465 ( -8.393 0.000 3.287) 9.014 2.490 ( 10.058 0.000 -5.560) 11.492 2.608 ( 2.722 0.000 0.524) 2.772 2.711 ( -3.812 0.000 9.155) 9.917 2.733 ( 1.634 0.000 5.012) 5.272 2.893 ( -11.714 0.000 2.426) 11.962 2.904 ( 6.763 0.000 -5.566) 8.759 2.953 ( -7.797 0.000 2.965) 8.341 3.005 ( -2.712 0.000 -3.014) 4.055 3.127 ( 9.822 0.000 -1.217) 9.897 3.225 ( -9.051 0.000 1.559) 9.184 3.256 ( -4.900 0.000 5.524) 7.384 3.314 ( -7.873 0.000 3.059) 8.447 3.400 ( -0.541 0.000 0.147) 0.560 3.454 ( -14.716 0.000 3.305) 15.083 3.562 ( -10.154 0.000 4.775) 11.221 3.669 ( 0.891 0.000 -6.989) 7.046 3.706 ( -0.448 0.000 -0.046) 0.451 3.794 ( 5.109 0.000 -11.010) 12.138 3.822 ( 10.196 0.000 -4.539) 11.161 3.897 ( -1.028 0.000 4.502) 4.618 3.930 ( 0.497 0.000 0.706) 0.863 4.170 ( -4.252 0.000 -4.349) 6.083 4.260 ( -0.011 0.000 5.737) 5.737 4.296 ( -4.121 0.000 -3.323) 5.294 4.300 ( -8.541 0.000 3.033) 9.063 4.411 ( -2.350 0.000 -1.586) 2.835 4.417 ( 6.637 0.000 -2.339) 7.037 4.604 ( 3.202 0.000 -2.653) 4.159 4.633 ( 4.168 0.000 5.483) 6.887 4.684 ( 3.035 0.000 3.387) 4.547 4.700 ( 3.416 0.000 -2.861) 4.456 4.795 ( 3.926 0.000 -2.002) 4.407 4.796 ( 5.258 0.000 -1.969) 5.614 4.917 ( 5.527 0.000 3.158) 6.366 4.971 ( 8.805 0.000 0.274) 8.809 5.099 ( -0.814 0.000 2.684) 2.804 5.231 ( 3.713 0.000 -4.195) 5.602 5.275 ( -2.718 0.000 5.225) 5.889 5.285 ( -1.533 0.000 -4.589) 4.839 5.437 ( -4.027 0.000 5.795) 7.057 5.505 ( -1.842 0.000 0.482) 1.904 5.564 ( -1.445 0.000 -1.636) 2.183 5.599 ( 4.967 0.000 -3.633) 6.153 5.825 ( -0.479 0.000 -5.050) 5.072 5.840 ( 0.952 0.000 -1.441) 1.727 5.932 ( 0.702 0.000 1.157) 1.353 5.968 ( 1.188 0.000 0.481) 1.281 6.232 ( -3.606 0.000 -3.459) 4.997 6.321 ( -4.120 0.000 2.055) 4.604 6.418 ( -4.436 0.000 0.583) 4.474 6.425 ( 2.688 0.000 2.724) 3.827 6.689 ( -6.366 0.000 2.453) 6.822 6.795 ( -4.612 0.000 1.023) 4.725 6.871 ( -1.754 0.000 -2.207) 2.820 6.960 ( 2.858 0.000 -3.244) 4.323 6.984 ( -3.685 0.000 -0.287) 3.696 6.995 ( 1.178 0.000 0.129) 1.185 7.124 ( 0.900 0.000 -1.259) 1.548 7.142 ( 7.290 0.000 4.268) 8.447 7.721 ( 7.215 0.000 -3.871) 8.188 7.752 ( 8.268 0.000 1.499) 8.402 8.011 ( 7.889 0.000 -3.724) 8.723 8.114 ( 9.974 0.000 3.220) 10.481 8.658 ( -1.258 0.000 -0.637) 1.410 8.699 ( 1.178 0.000 0.373) 1.236 8.939 ( -1.546 0.000 -0.502) 1.626 8.970 ( 0.219 0.000 2.152) 2.163 9.035 ( -4.764 0.000 0.322) 4.775 9.134 ( -1.127 0.000 -0.697) 1.326 9.205 ( -3.709 0.000 1.378) 3.957 9.263 ( -0.521 0.000 -1.016) 1.142 9.351 ( -6.337 0.000 -1.506) 6.513 9.425 ( -0.280 0.000 0.637) 0.696 9.493 ( -2.049 0.000 2.614) 3.322 9.514 ( -0.525 0.000 2.510) 2.564 9.609 ( 7.698 0.000 -3.916) 8.637 9.702 ( 12.197 0.000 3.290) 12.633 9.756 ( 0.390 0.000 -2.075) 2.111 9.820 ( -4.289 0.000 1.423) 4.519 9.869 ( 6.895 0.000 -2.970) 7.508 10.032 ( 7.291 0.000 -1.077) 7.370 10.136 ( 2.003 0.000 -0.799) 2.156 10.254 ( 6.880 0.000 1.046) 6.959 10.528 ( 1.170 0.000 0.885) 1.467 10.560 ( 2.637 0.000 0.149) 2.641 10.691 ( 1.090 0.000 0.177) 1.104 10.730 ( 4.450 0.000 -0.627) 4.494 11.509 ( -4.074 0.000 1.940) 4.512 11.510 ( -2.884 0.000 -1.394) 3.203 11.583 ( -6.628 0.000 0.008) 6.628 11.588 ( -5.027 0.000 0.310) 5.037 11.923 ( -0.134 0.000 0.066) 0.149 11.926 ( -0.875 0.000 0.663) 1.098 11.993 ( -0.990 0.000 -0.231) 1.016 12.034 ( 2.145 0.000 0.131) 2.149 12.221 ( -2.515 0.000 2.484) 3.535 12.269 ( -0.993 0.000 -1.658) 1.933 12.331 ( -4.084 0.000 -1.248) 4.271 12.334 ( -5.510 0.000 -1.897) 5.827 12.528 ( -0.809 0.000 1.831) 2.002 12.563 ( -0.889 0.000 0.277) 0.931 12.690 ( 4.171 0.000 -0.179) 4.175 12.745 ( 4.612 0.000 -0.193) 4.616 13.157 ( -5.436 0.000 0.528) 5.461 13.190 ( -4.178 0.000 -0.430) 4.200 13.466 ( 7.461 0.000 0.442) 7.474 13.495 ( 7.801 0.000 -0.115) 7.802 13.801 ( -12.273 0.000 -1.288) 12.341 13.846 ( -6.079 0.000 -0.896) 6.145 13.981 ( 2.728 0.000 -1.194) 2.977 14.044 ( 1.728 0.000 4.194) 4.536 14.108 ( -0.656 0.000 -1.391) 1.538 14.171 ( 0.665 0.000 1.971) 2.080 14.358 ( 1.857 0.000 -1.588) 2.443 14.416 ( 4.717 0.000 0.632) 4.759 14.909 ( -7.057 0.000 1.028) 7.132 14.995 ( -1.328 0.000 -2.229) 2.595 15.128 ( 1.864 0.000 2.312) 2.970 15.233 ( 7.215 0.000 -0.047) 7.215 15.330 ( -5.543 0.000 0.172) 5.546 15.385 ( -6.290 0.000 0.135) 6.291 15.487 ( -1.276 0.000 -1.249) 1.786 15.516 ( -4.639 0.000 0.062) 4.639 15.669 ( -9.331 0.000 -0.909) 9.375 15.803 ( -6.454 0.000 -0.760) 6.499 15.807 ( 3.216 0.000 0.196) 3.222 16.046 ( 2.210 0.000 -1.363) 2.596 16.258 ( -0.957 0.000 0.426) 1.048 16.301 ( -2.337 0.000 0.419) 2.374 16.385 ( 4.284 0.000 0.748) 4.349 16.421 ( 7.997 0.000 -1.679) 8.171 17.151 ( -0.503 0.000 -0.848) 0.986 17.167 ( -0.574 0.000 1.601) 1.700 17.202 ( -1.072 0.000 0.352) 1.128 17.246 ( 1.316 0.000 -1.075) 1.699 19.778 ( -9.082 0.000 -0.303) 9.087 19.883 ( -5.878 0.000 -1.077) 5.976 20.005 ( -3.842 0.000 -0.475) 3.871 20.086 ( -2.140 0.000 0.281) 2.159 20.260 ( 5.433 0.000 3.286) 6.350 20.297 ( 5.610 0.000 0.237) 5.615 20.581 ( 6.728 0.000 1.565) 6.908 20.597 ( 6.758 0.000 -3.073) 7.424 21.939 ( -11.337 0.000 -0.060) 11.337 21.978 ( -9.863 0.000 -0.965) 9.910 22.144 ( -10.617 0.000 -0.374) 10.624 22.147 ( -10.623 0.000 0.516) 10.636 22.630 ( 9.956 0.000 -2.164) 10.189 22.666 ( 9.238 0.000 2.368) 9.537 22.832 ( 8.259 0.000 1.578) 8.408 22.858 ( 9.915 0.000 -1.111) 9.977 27.129 ( -18.706 0.000 0.282) 18.708 27.239 ( -16.783 0.000 -0.211) 16.784 27.351 ( -25.326 0.000 -0.246) 25.327 28.009 ( 7.608 0.000 1.964) 7.857 28.163 ( 20.196 0.000 0.530) 20.203 28.238 ( 16.887 0.000 -2.317) 17.045 28.596 ( 15.014 0.000 -1.728) 15.113 28.688 ( 13.485 0.000 -0.359) 13.490 30.239 ( -10.494 0.000 -0.715) 10.518 30.306 ( -8.454 0.000 2.067) 8.703 30.512 ( -2.856 0.000 0.720) 2.945 30.568 ( -0.742 0.000 0.138) 0.754 30.722 ( -13.174 0.000 -2.966) 13.504 30.821 ( -7.198 0.000 1.464) 7.345 31.067 ( 3.252 0.000 -1.514) 3.587 31.129 ( -8.334 0.000 0.010) 8.334 31.157 ( 9.791 0.000 1.510) 9.907 31.341 ( 3.510 0.000 -1.920) 4.001 31.472 ( 4.351 0.000 1.015) 4.467 31.555 ( 9.711 0.000 -0.906) 9.753 31.763 ( -3.381 0.000 -0.808) 3.476 31.946 ( 5.424 0.000 -2.583) 6.008 32.208 ( -12.959 0.000 -0.248) 12.961 32.558 ( -6.300 0.000 -2.582) 6.808 32.671 ( -6.827 0.000 2.013) 7.118 32.744 ( 9.151 0.000 3.790) 9.905 32.988 ( -11.390 0.000 -0.419) 11.398 32.997 ( -6.523 0.000 -3.276) 7.299 33.109 ( 0.106 0.000 -1.214) 1.219 33.404 ( 13.565 0.000 1.375) 13.634 33.456 ( 8.717 0.000 -1.033) 8.778 33.505 ( 10.875 0.000 0.369) 10.881 34.610 ( -1.950 0.000 -7.432) 7.683 34.657 ( -0.482 0.000 -9.973) 9.985 34.667 ( -0.640 0.000 6.163) 6.196 34.699 ( -0.125 0.000 5.656) 5.657 35.294 ( -1.401 0.000 0.087) 1.404 35.323 ( 0.462 0.000 -4.893) 4.914 35.373 ( -2.111 0.000 0.356) 2.141 35.429 ( 1.204 0.000 -1.119) 1.643 35.512 ( -4.492 0.000 -2.605) 5.192 35.597 ( -2.533 0.000 -1.685) 3.043 35.679 ( 0.879 0.000 6.214) 6.276 35.717 ( 5.476 0.000 9.861) 11.280 36.445 ( -18.720 0.000 -0.350) 18.724 36.827 ( -18.106 0.000 6.390) 19.201 37.123 ( 18.812 0.000 -0.451) 18.817 37.579 ( 24.211 0.000 -2.176) 24.308 ======================= Grid point 91 (46/63) ======================= q-point: (-0.25 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.948 ( -14.614 0.000 5.699) 15.686 0.952 ( -13.531 0.000 7.464) 15.453 1.176 ( -2.065 0.000 -0.054) 2.066 1.232 ( -3.004 0.000 2.847) 4.139 1.272 ( -9.314 0.000 -1.599) 9.450 1.381 ( -8.886 0.000 5.486) 10.443 1.598 ( -4.646 0.000 -0.048) 4.646 1.720 ( -23.768 0.000 6.591) 24.665 1.751 ( -0.223 0.000 2.332) 2.342 1.793 ( 2.278 0.000 4.296) 4.863 1.807 ( -6.772 0.000 10.767) 12.720 1.957 ( 4.267 0.000 0.537) 4.301 2.041 ( -1.761 0.000 1.020) 2.035 2.171 ( -5.629 0.000 -5.893) 8.149 2.313 ( 1.438 0.000 -3.667) 3.939 2.323 ( 1.834 0.000 7.598) 7.816 2.433 ( 1.876 0.000 -8.930) 9.125 2.455 ( -0.538 0.000 3.136) 3.182 2.658 ( 0.641 0.000 -1.565) 1.691 2.677 ( -9.809 0.000 -1.428) 9.912 2.781 ( -4.067 0.000 7.666) 8.678 2.831 ( -4.576 0.000 8.331) 9.505 2.905 ( 1.096 0.000 2.703) 2.917 2.955 ( -7.943 0.000 -0.313) 7.950 2.973 ( 3.744 0.000 -2.453) 4.476 3.064 ( -5.124 0.000 4.712) 6.961 3.124 ( -7.464 0.000 2.596) 7.903 3.145 ( -11.288 0.000 -0.335) 11.293 3.290 ( 4.137 0.000 -4.859) 6.382 3.381 ( -2.801 0.000 1.744) 3.300 3.381 ( -1.811 0.000 9.848) 10.013 3.470 ( -9.459 0.000 5.319) 10.852 3.587 ( -2.578 0.000 -5.038) 5.659 3.626 ( -2.182 0.000 -9.755) 9.996 3.741 ( -3.337 0.000 -6.303) 7.131 3.850 ( -2.426 0.000 -0.679) 2.520 3.867 ( 1.571 0.000 -3.266) 3.624 3.984 ( 0.522 0.000 2.648) 2.699 4.058 ( -2.948 0.000 -3.937) 4.918 4.161 ( -8.769 0.000 2.487) 9.115 4.228 ( -0.775 0.000 1.982) 2.128 4.335 ( 3.143 0.000 -0.265) 3.154 4.358 ( 5.411 0.000 -1.221) 5.547 4.530 ( 4.444 0.000 2.379) 5.040 4.609 ( 3.208 0.000 -5.691) 6.533 4.688 ( 2.867 0.000 -5.831) 6.498 4.722 ( 0.987 0.000 0.151) 0.998 4.795 ( 1.419 0.000 2.115) 2.547 4.862 ( 4.563 0.000 -5.866) 7.432 4.916 ( 6.377 0.000 -0.635) 6.409 5.042 ( 7.374 0.000 0.500) 7.391 5.074 ( 5.060 0.000 -4.202) 6.578 5.095 ( -0.855 0.000 -1.345) 1.594 5.158 ( -4.207 0.000 -1.845) 4.594 5.251 ( -1.855 0.000 3.357) 3.836 5.339 ( 2.508 0.000 0.198) 2.516 5.431 ( 2.113 0.000 -3.083) 3.738 5.476 ( -4.186 0.000 5.014) 6.531 5.545 ( 4.126 0.000 -0.624) 4.173 5.653 ( 3.571 0.000 -0.260) 3.580 5.760 ( -5.666 0.000 -4.700) 7.362 5.782 ( 0.355 0.000 -2.015) 2.046 5.946 ( -0.206 0.000 3.096) 3.103 5.979 ( -0.570 0.000 0.585) 0.817 6.181 ( -1.220 0.000 1.823) 2.194 6.278 ( -2.458 0.000 2.145) 3.262 6.333 ( -3.813 0.000 0.417) 3.835 6.517 ( 3.454 0.000 2.575) 4.309 6.684 ( -2.152 0.000 5.211) 5.638 6.755 ( -4.799 0.000 2.871) 5.592 6.811 ( -3.214 0.000 -3.541) 4.782 6.906 ( 1.102 0.000 -0.459) 1.194 6.938 ( -3.397 0.000 -2.162) 4.026 6.986 ( 3.064 0.000 -2.460) 3.930 7.110 ( -0.080 0.000 -0.263) 0.275 7.285 ( 1.934 0.000 4.678) 5.062 7.863 ( 13.684 0.000 -2.929) 13.994 7.961 ( 14.658 0.000 -0.868) 14.684 8.196 ( 16.798 0.000 -2.140) 16.934 8.329 ( 11.169 0.000 0.952) 11.210 8.621 ( -2.738 0.000 -0.214) 2.746 8.727 ( 1.187 0.000 0.640) 1.349 8.902 ( -1.831 0.000 -0.379) 1.870 8.987 ( -1.824 0.000 2.266) 2.909 8.997 ( -0.495 0.000 1.557) 1.634 9.089 ( -2.343 0.000 -1.033) 2.561 9.131 ( -6.165 0.000 0.794) 6.216 9.214 ( -2.900 0.000 -1.667) 3.345 9.280 ( -2.464 0.000 1.394) 2.831 9.387 ( -7.556 0.000 -0.591) 7.579 9.430 ( -2.647 0.000 -1.763) 3.181 9.465 ( -7.241 0.000 0.723) 7.277 9.680 ( 1.790 0.000 1.442) 2.299 9.785 ( 5.006 0.000 -1.451) 5.212 9.864 ( 6.701 0.000 1.921) 6.971 9.975 ( 13.333 0.000 3.256) 13.725 9.994 ( 11.961 0.000 -3.789) 12.547 10.164 ( 2.819 0.000 -2.494) 3.764 10.202 ( 12.608 0.000 0.470) 12.617 10.364 ( 5.607 0.000 -0.524) 5.632 10.574 ( 3.313 0.000 -0.396) 3.336 10.616 ( 3.538 0.000 -0.168) 3.542 10.721 ( 1.629 0.000 1.178) 2.010 10.831 ( 7.875 0.000 -0.701) 7.906 11.388 ( -10.664 0.000 -0.599) 10.681 11.402 ( -11.050 0.000 0.799) 11.079 11.456 ( -5.354 0.000 -0.691) 5.399 11.510 ( -5.432 0.000 1.335) 5.593 11.898 ( -1.823 0.000 -0.787) 1.985 11.901 ( -2.918 0.000 1.123) 3.127 12.022 ( 3.786 0.000 1.158) 3.959 12.061 ( 1.697 0.000 -0.799) 1.876 12.174 ( -3.835 0.000 -1.793) 4.234 12.211 ( -1.874 0.000 -1.407) 2.344 12.234 ( -4.472 0.000 1.258) 4.645 12.295 ( -1.348 0.000 0.702) 1.520 12.523 ( -3.264 0.000 -0.591) 3.317 12.548 ( -0.829 0.000 1.917) 2.089 12.759 ( -1.376 0.000 -1.376) 1.946 12.761 ( 2.903 0.000 0.846) 3.024 13.094 ( -3.215 0.000 1.250) 3.449 13.133 ( -0.910 0.000 -1.246) 1.543 13.554 ( -14.255 0.000 -0.257) 14.258 13.626 ( 10.247 0.000 0.478) 10.259 13.648 ( 10.309 0.000 -0.268) 10.313 13.710 ( -6.656 0.000 -3.566) 7.552 14.041 ( 5.882 0.000 -0.812) 5.937 14.107 ( 0.448 0.000 1.996) 2.045 14.132 ( 3.479 0.000 1.927) 3.977 14.196 ( -0.243 0.000 0.584) 0.633 14.374 ( 1.004 0.000 0.010) 1.004 14.451 ( -0.315 0.000 -0.790) 0.851 14.785 ( -11.353 0.000 2.629) 11.654 14.890 ( -7.053 0.000 -4.712) 8.483 15.180 ( -6.121 0.000 3.056) 6.842 15.194 ( -11.700 0.000 -0.195) 11.702 15.252 ( -3.846 0.000 0.425) 3.870 15.299 ( -1.880 0.000 -1.978) 2.729 15.348 ( -10.740 0.000 0.365) 10.746 15.449 ( 3.733 0.000 -1.844) 4.164 15.623 ( 1.829 0.000 0.854) 2.019 15.703 ( -1.890 0.000 -0.894) 2.091 15.904 ( 5.756 0.000 -0.610) 5.788 15.955 ( -5.576 0.000 -8.019) 9.767 16.239 ( -2.894 0.000 1.339) 3.189 16.270 ( -1.804 0.000 0.084) 1.806 16.368 ( -1.881 0.000 -1.598) 2.468 16.556 ( 6.406 0.000 -7.683) 10.003 17.138 ( 0.165 0.000 -0.724) 0.743 17.171 ( -1.164 0.000 0.946) 1.500 17.194 ( -0.474 0.000 1.288) 1.372 17.251 ( 0.562 0.000 -1.143) 1.273 19.648 ( -5.552 0.000 0.889) 5.622 19.773 ( -4.310 0.000 -2.849) 5.167 19.906 ( -5.403 0.000 0.289) 5.411 19.980 ( -7.507 0.000 -2.060) 7.784 20.423 ( 7.983 0.000 -0.405) 7.994 20.427 ( 7.731 0.000 3.026) 8.302 20.683 ( 7.302 0.000 -3.004) 7.896 20.716 ( 6.353 0.000 0.259) 6.358 21.737 ( -10.553 0.000 1.873) 10.718 21.771 ( -11.568 0.000 -0.066) 11.568 21.959 ( -10.484 0.000 0.152) 10.485 21.980 ( -9.162 0.000 0.372) 9.170 22.782 ( 10.671 0.000 -2.906) 11.060 22.854 ( 8.668 0.000 2.676) 9.072 23.017 ( 9.539 0.000 -1.385) 9.639 23.018 ( 9.611 0.000 2.273) 9.876 26.825 ( -16.356 0.000 0.579) 16.367 26.909 ( -18.640 0.000 -1.765) 18.723 26.953 ( -21.602 0.000 2.308) 21.724 27.867 ( -13.272 0.000 -23.302) 26.816 28.554 ( 21.769 0.000 -0.103) 21.769 28.561 ( 23.633 0.000 0.665) 23.643 28.915 ( 19.383 0.000 0.518) 19.390 28.959 ( 18.231 0.000 -0.094) 18.232 30.011 ( -15.404 0.000 0.549) 15.414 30.118 ( -15.553 0.000 1.086) 15.591 30.418 ( -13.174 0.000 1.474) 13.256 30.525 ( -3.022 0.000 0.179) 3.027 30.539 ( -2.141 0.000 -0.309) 2.163 30.707 ( -7.366 0.000 -0.452) 7.380 30.880 ( -12.163 0.000 -0.722) 12.184 31.176 ( -1.336 0.000 -11.240) 11.319 31.196 ( 5.523 0.000 -0.661) 5.562 31.444 ( 9.808 0.000 -5.585) 11.287 31.525 ( 0.798 0.000 1.047) 1.316 31.722 ( 10.418 0.000 -0.552) 10.433 31.735 ( 1.573 0.000 -0.708) 1.725 31.837 ( -4.885 0.000 -13.278) 14.148 32.062 ( -2.549 0.000 -0.427) 2.585 32.407 ( -7.284 0.000 -2.776) 7.795 32.530 ( -11.953 0.000 3.055) 12.338 32.715 ( -13.915 0.000 1.119) 13.960 32.737 ( -14.008 0.000 -2.241) 14.186 32.988 ( 10.403 0.000 -8.031) 13.142 33.187 ( 4.834 0.000 2.903) 5.639 33.552 ( 11.043 0.000 -16.827) 20.127 33.566 ( 7.303 0.000 -4.364) 8.508 33.661 ( 8.366 0.000 -3.199) 8.957 34.524 ( -0.195 0.000 -1.001) 1.020 34.531 ( -0.805 0.000 -3.903) 3.985 34.708 ( -2.229 0.000 4.408) 4.939 34.753 ( -1.522 0.000 5.500) 5.706 35.265 ( -1.274 0.000 -0.877) 1.546 35.266 ( -2.747 0.000 0.216) 2.755 35.356 ( -2.389 0.000 3.078) 3.897 35.453 ( -3.010 0.000 3.166) 4.368 35.462 ( 0.015 0.000 2.732) 2.732 35.551 ( -1.643 0.000 0.349) 1.679 35.795 ( 0.826 0.000 10.104) 10.137 35.934 ( 2.189 0.000 2.723) 3.494 36.220 ( -10.894 0.000 10.659) 15.241 36.902 ( 9.501 0.000 33.190) 34.523 37.373 ( 14.148 0.000 -6.186) 15.441 37.941 ( 21.591 0.000 -4.059) 21.969 ======================= Grid point 92 (47/63) ======================= q-point: (-0.12 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( -21.870 0.000 13.731) 25.824 0.811 ( -13.738 0.000 16.041) 21.120 1.124 ( -0.278 0.000 11.601) 11.605 1.163 ( -8.465 0.000 0.702) 8.494 1.184 ( -0.883 0.000 -0.092) 0.888 1.348 ( -1.794 0.000 4.507) 4.852 1.482 ( -15.890 0.000 15.788) 22.400 1.618 ( -0.151 0.000 4.876) 4.878 1.738 ( -0.701 0.000 -2.653) 2.744 1.838 ( -4.616 0.000 6.551) 8.014 1.865 ( -0.808 0.000 4.546) 4.617 1.919 ( -5.736 0.000 -12.901) 14.119 2.033 ( 1.430 0.000 4.765) 4.975 2.202 ( 10.527 0.000 3.037) 10.956 2.316 ( 0.449 0.000 1.555) 1.619 2.401 ( -15.307 0.000 5.493) 16.263 2.465 ( 12.141 0.000 -8.596) 14.876 2.481 ( 7.873 0.000 -0.248) 7.877 2.582 ( 1.696 0.000 13.901) 14.004 2.636 ( -1.185 0.000 -0.017) 1.185 2.752 ( -8.257 0.000 0.118) 8.258 2.822 ( 1.126 0.000 1.548) 1.914 2.897 ( -6.590 0.000 -3.262) 7.354 2.926 ( -9.062 0.000 5.344) 10.520 2.929 ( 0.030 0.000 1.358) 1.358 3.030 ( -1.584 0.000 1.052) 1.902 3.045 ( 3.120 0.000 -3.876) 4.975 3.120 ( 5.826 0.000 -2.792) 6.461 3.266 ( 2.381 0.000 -3.273) 4.047 3.269 ( -17.370 0.000 2.079) 17.494 3.326 ( -9.864 0.000 0.248) 9.867 3.401 ( -5.206 0.000 -14.219) 15.143 3.478 ( -0.594 0.000 4.882) 4.918 3.486 ( -4.265 0.000 2.977) 5.201 3.629 ( -0.632 0.000 3.067) 3.132 3.785 ( -3.008 0.000 1.125) 3.212 3.935 ( 6.148 0.000 -3.785) 7.220 3.986 ( -2.617 0.000 4.325) 5.055 4.014 ( 0.836 0.000 -0.352) 0.907 4.078 ( -6.217 0.000 3.513) 7.141 4.314 ( 3.535 0.000 4.850) 6.002 4.357 ( 3.318 0.000 -0.906) 3.439 4.496 ( 7.099 0.000 -4.013) 8.155 4.589 ( -0.369 0.000 -1.665) 1.705 4.597 ( 2.401 0.000 -4.156) 4.800 4.678 ( -1.299 0.000 -11.561) 11.634 4.678 ( 2.305 0.000 -1.849) 2.955 4.705 ( 0.677 0.000 -4.156) 4.211 4.864 ( 2.113 0.000 -2.865) 3.560 4.928 ( 0.445 0.000 -3.129) 3.160 4.967 ( -4.914 0.000 -7.031) 8.578 5.030 ( -7.543 0.000 4.148) 8.608 5.070 ( 1.122 0.000 -4.976) 5.101 5.238 ( 2.974 0.000 3.340) 4.472 5.260 ( 0.883 0.000 -9.011) 9.054 5.270 ( 0.713 0.000 0.319) 0.781 5.470 ( -2.893 0.000 2.321) 3.709 5.510 ( 3.034 0.000 -1.986) 3.626 5.520 ( -1.586 0.000 -9.698) 9.827 5.628 ( -2.169 0.000 -2.407) 3.240 5.781 ( -0.488 0.000 2.822) 2.864 5.803 ( 6.742 0.000 8.284) 10.681 5.978 ( -0.913 0.000 1.177) 1.490 6.049 ( 1.680 0.000 1.376) 2.171 6.260 ( 7.338 0.000 9.140) 11.721 6.294 ( 0.226 0.000 2.731) 2.741 6.359 ( 6.745 0.000 0.066) 6.745 6.584 ( -0.561 0.000 -1.772) 1.858 6.658 ( 1.666 0.000 -2.345) 2.876 6.683 ( -4.698 0.000 3.824) 6.058 6.774 ( -4.327 0.000 6.158) 7.526 6.867 ( -1.119 0.000 -0.339) 1.170 6.987 ( 5.680 0.000 -0.119) 5.681 7.020 ( 1.369 0.000 0.204) 1.384 7.215 ( 12.372 0.000 2.012) 12.535 7.335 ( -2.485 0.000 4.823) 5.426 8.094 ( 14.214 0.000 0.905) 14.243 8.199 ( 14.601 0.000 -2.856) 14.877 8.482 ( 16.476 0.000 -0.624) 16.488 8.512 ( 9.008 0.000 0.427) 9.018 8.573 ( -1.857 0.000 0.589) 1.949 8.752 ( 1.101 0.000 0.513) 1.215 8.876 ( -0.818 0.000 0.221) 0.847 8.932 ( -8.298 0.000 -1.549) 8.441 9.005 ( -2.300 0.000 2.236) 3.208 9.025 ( -5.756 0.000 0.802) 5.812 9.048 ( -0.824 0.000 -1.749) 1.933 9.127 ( -3.985 0.000 -2.496) 4.702 9.225 ( -7.277 0.000 -0.978) 7.342 9.270 ( -2.251 0.000 1.944) 2.974 9.323 ( -7.809 0.000 -1.510) 7.953 9.362 ( -1.014 0.000 -3.519) 3.663 9.725 ( -1.117 0.000 5.397) 5.512 9.853 ( 4.548 0.000 -1.607) 4.824 10.009 ( 6.552 0.000 0.065) 6.552 10.141 ( 1.900 0.000 -4.877) 5.234 10.162 ( 10.783 0.000 -1.797) 10.931 10.209 ( 5.876 0.000 2.991) 6.594 10.443 ( 13.276 0.000 -0.095) 13.277 10.457 ( 6.249 0.000 -0.096) 6.250 10.620 ( 3.405 0.000 -1.469) 3.708 10.665 ( 2.655 0.000 -1.488) 3.044 10.779 ( 1.769 0.000 3.087) 3.558 10.945 ( 5.205 0.000 -1.585) 5.441 11.150 ( -13.489 0.000 -1.864) 13.618 11.182 ( -14.275 0.000 1.137) 14.320 11.377 ( -3.189 0.000 -0.270) 3.200 11.425 ( -5.213 0.000 0.216) 5.217 11.868 ( 1.320 0.000 -2.216) 2.579 11.885 ( -1.682 0.000 2.918) 3.368 12.091 ( 2.636 0.000 -0.719) 2.733 12.093 ( -0.616 0.000 -0.611) 0.868 12.131 ( 3.365 0.000 -0.102) 3.366 12.173 ( -2.743 0.000 0.796) 2.856 12.174 ( -2.747 0.000 1.416) 3.090 12.271 ( -1.274 0.000 -0.375) 1.328 12.448 ( -3.828 0.000 -0.810) 3.912 12.506 ( -4.944 0.000 -0.655) 4.987 12.735 ( 0.968 0.000 0.299) 1.013 12.802 ( 0.860 0.000 0.477) 0.983 13.067 ( -2.356 0.000 1.973) 3.073 13.118 ( 1.399 0.000 -2.475) 2.843 13.334 ( -10.360 0.000 -0.059) 10.361 13.456 ( -16.883 0.000 -8.061) 18.709 13.827 ( 11.625 0.000 0.462) 11.634 13.832 ( 10.279 0.000 -0.170) 10.280 14.127 ( 0.078 0.000 1.025) 1.028 14.153 ( 5.541 0.000 -0.353) 5.552 14.165 ( -0.862 0.000 -1.092) 1.391 14.219 ( 3.021 0.000 -0.268) 3.033 14.383 ( -1.202 0.000 0.327) 1.245 14.434 ( -0.530 0.000 0.610) 0.808 14.569 ( -14.763 0.000 1.048) 14.800 14.621 ( -14.061 0.000 -4.325) 14.711 14.958 ( -12.286 0.000 0.003) 12.286 14.968 ( -12.172 0.000 -0.041) 12.172 15.043 ( -16.748 0.000 -5.853) 17.741 15.124 ( -13.468 0.000 0.114) 13.468 15.370 ( 3.980 0.000 6.016) 7.213 15.573 ( 9.562 0.000 -1.229) 9.640 15.685 ( 3.530 0.000 1.160) 3.715 15.721 ( -5.635 0.000 -3.939) 6.875 15.737 ( 3.553 0.000 1.484) 3.850 15.970 ( 3.348 0.000 -3.816) 5.076 16.199 ( -2.645 0.000 0.726) 2.743 16.239 ( -2.587 0.000 1.546) 3.014 16.315 ( -1.468 0.000 -1.613) 2.181 16.397 ( -9.598 0.000 -6.080) 11.362 17.138 ( 0.679 0.000 -0.484) 0.834 17.156 ( -1.000 0.000 0.067) 1.002 17.214 ( -0.174 0.000 2.313) 2.319 17.248 ( 0.785 0.000 -0.504) 0.933 19.610 ( -2.101 0.000 0.882) 2.278 19.667 ( -2.643 0.000 -3.587) 4.456 19.852 ( -2.793 0.000 -0.435) 2.826 19.855 ( -1.572 0.000 0.825) 1.776 20.543 ( 6.126 0.000 -0.261) 6.132 20.567 ( 3.859 0.000 2.359) 4.523 20.766 ( 5.902 0.000 -2.337) 6.348 20.789 ( 2.326 0.000 0.256) 2.340 21.618 ( -6.671 0.000 1.588) 6.858 21.672 ( -1.982 0.000 1.752) 2.645 21.803 ( -6.592 0.000 0.576) 6.617 21.849 ( -5.769 0.000 -0.216) 5.773 22.905 ( 7.427 0.000 -2.953) 7.992 22.982 ( 3.362 0.000 -1.425) 3.652 23.161 ( 7.714 0.000 0.904) 7.767 23.189 ( 6.446 0.000 1.670) 6.659 26.599 ( -10.065 0.000 0.043) 10.065 26.612 ( -12.272 0.000 -1.018) 12.314 26.671 ( -13.857 0.000 2.003) 14.001 26.998 ( -38.416 0.000 -21.826) 44.184 28.953 ( 23.464 0.000 0.558) 23.471 28.967 ( 22.330 0.000 0.508) 22.336 29.204 ( 10.750 0.000 2.491) 11.035 29.280 ( 17.330 0.000 -0.721) 17.345 29.737 ( -17.755 0.000 0.989) 17.783 29.800 ( -20.298 0.000 -1.588) 20.360 30.250 ( -11.000 0.000 8.689) 14.018 30.495 ( -1.803 0.000 -1.101) 2.113 30.515 ( -1.098 0.000 1.747) 2.063 30.544 ( -7.599 0.000 -2.318) 7.945 30.699 ( -7.529 0.000 -0.031) 7.529 30.898 ( -7.957 0.000 -10.036) 12.807 31.250 ( 2.053 0.000 -0.701) 2.169 31.360 ( -7.510 0.000 -0.336) 7.517 31.563 ( -1.330 0.000 7.630) 7.745 31.813 ( 7.835 0.000 0.260) 7.839 31.836 ( 12.625 0.000 -1.968) 12.777 31.893 ( 9.075 0.000 -0.100) 9.075 32.085 ( 4.022 0.000 -0.650) 4.074 32.251 ( -4.793 0.000 -4.333) 6.461 32.367 ( -10.325 0.000 3.322) 10.847 32.465 ( -14.649 0.000 0.090) 14.649 32.469 ( -13.226 0.000 -2.648) 13.489 32.905 ( 2.911 0.000 -28.075) 28.225 33.303 ( 2.777 0.000 4.268) 5.092 33.427 ( 1.295 0.000 -11.842) 11.913 33.596 ( 3.901 0.000 -5.556) 6.789 33.710 ( 3.949 0.000 -5.631) 6.878 34.570 ( 4.349 0.000 0.839) 4.429 34.583 ( 4.197 0.000 4.370) 6.059 34.701 ( -3.425 0.000 2.451) 4.211 34.780 ( -2.314 0.000 3.695) 4.360 35.235 ( -2.510 0.000 1.638) 2.997 35.238 ( 0.227 0.000 -1.596) 1.612 35.364 ( -1.222 0.000 3.023) 3.261 35.458 ( -2.137 0.000 0.107) 2.139 35.477 ( -1.679 0.000 6.808) 7.012 35.562 ( -0.159 0.000 4.347) 4.350 35.814 ( -3.071 0.000 -3.078) 4.348 35.903 ( -0.810 0.000 -4.973) 5.038 36.403 ( 0.534 0.000 29.741) 29.746 37.439 ( 7.225 0.000 -13.153) 15.007 37.818 ( 34.693 0.000 22.044) 41.104 38.202 ( 14.394 0.000 -4.613) 15.115 ======================= Grid point 93 (48/63) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.883 ( -1.783 10.388 10.686) 15.009 1.032 ( -0.316 6.025 -1.871) 6.316 1.090 ( -1.000 7.922 2.125) 8.263 1.149 ( 1.030 0.145 -2.084) 2.329 1.386 ( 1.700 0.755 7.904) 8.120 1.485 ( -2.126 4.585 4.557) 6.805 1.614 ( -1.138 -1.822 2.968) 3.664 1.674 ( 4.096 9.660 9.312) 14.029 1.696 ( 0.431 -0.018 -1.382) 1.447 1.746 ( 0.470 1.070 -1.386) 1.813 1.789 ( -0.978 -2.421 1.697) 3.114 1.931 ( -2.403 6.014 -2.582) 6.972 2.100 ( 0.887 -0.285 8.603) 8.654 2.181 ( -3.122 -2.626 4.155) 5.823 2.287 ( -0.386 -5.673 0.149) 5.688 2.355 ( -0.716 -8.973 -0.011) 9.002 2.453 ( 6.435 -4.989 -0.708) 8.173 2.502 ( -0.186 -1.223 1.727) 2.124 2.625 ( -5.780 5.074 -0.733) 7.727 2.704 ( 1.873 -3.004 2.053) 4.093 2.715 ( 0.409 -4.947 -1.246) 5.118 2.755 ( 3.040 -0.038 7.835) 8.404 2.817 ( -2.140 3.896 -3.374) 5.581 2.919 ( -4.242 1.029 -1.042) 4.487 2.935 ( -1.247 -1.657 1.860) 2.786 3.008 ( 3.503 0.004 0.654) 3.563 3.066 ( 1.019 1.887 -7.030) 7.350 3.116 ( 0.182 -3.243 2.338) 4.002 3.122 ( -6.498 -0.851 2.209) 6.916 3.202 ( -1.557 -0.141 -6.290) 6.482 3.257 ( 4.020 3.231 -3.776) 6.392 3.306 ( 0.476 2.047 -4.769) 5.211 3.450 ( -1.055 -0.347 2.705) 2.925 3.468 ( 0.310 -0.522 3.069) 3.129 3.738 ( 1.978 -0.649 4.801) 5.233 3.823 ( -1.752 -5.235 -3.394) 6.480 3.892 ( 2.594 3.810 6.976) 8.361 3.991 ( 1.137 0.835 -1.245) 1.881 4.127 ( -2.312 6.944 3.270) 8.016 4.185 ( 2.557 8.453 1.301) 8.927 4.342 ( -2.673 -2.686 5.009) 6.281 4.423 ( 0.302 4.506 -2.740) 5.282 4.457 ( 0.409 -0.810 -2.890) 3.029 4.532 ( 1.027 2.666 1.662) 3.305 4.584 ( -0.459 2.216 -9.028) 9.307 4.602 ( -2.266 3.144 -6.631) 7.681 4.675 ( 7.444 -3.680 0.017) 8.304 4.737 ( -7.091 -2.396 -5.099) 9.057 4.851 ( -1.732 5.142 -0.842) 5.491 4.881 ( 0.485 5.888 -2.012) 6.242 4.943 ( -0.228 -0.276 0.817) 0.892 5.019 ( 1.522 -1.104 -2.898) 3.454 5.095 ( 0.232 4.223 4.304) 6.034 5.198 ( -3.824 -2.304 2.931) 5.341 5.213 ( 0.431 3.995 -4.942) 6.369 5.318 ( 2.601 3.927 -6.555) 8.072 5.376 ( 1.997 -3.238 0.053) 3.805 5.436 ( -0.736 -2.079 -4.373) 4.898 5.516 ( 2.616 3.098 0.319) 4.068 5.577 ( -1.290 1.909 -4.456) 5.017 5.789 ( 1.489 -7.058 2.821) 7.745 5.821 ( -0.819 -10.989 0.660) 11.039 5.910 ( 1.128 -6.848 4.847) 8.466 5.984 ( -0.375 -7.939 -2.154) 8.234 6.269 ( -0.212 -4.458 3.744) 5.826 6.300 ( -1.554 -3.406 1.102) 3.902 6.460 ( 1.023 -4.240 0.172) 4.365 6.479 ( -1.757 -3.341 -1.613) 4.105 6.664 ( -3.333 1.269 3.140) 4.752 6.723 ( 4.607 0.257 -2.117) 5.077 6.762 ( -1.950 -2.609 3.745) 4.963 6.818 ( 2.656 -3.474 -1.500) 4.624 7.060 ( -1.966 2.709 2.011) 3.905 7.097 ( 2.787 3.883 -1.517) 5.014 7.259 ( -6.323 -5.484 3.498) 9.071 7.308 ( 6.478 -7.143 -0.790) 9.675 8.311 ( -1.710 4.292 2.031) 5.046 8.358 ( 1.693 2.947 -2.571) 4.261 8.550 ( 0.112 -5.606 0.974) 5.691 8.567 ( 0.389 -6.350 -0.584) 6.388 8.696 ( 7.570 5.362 1.923) 9.473 8.747 ( -7.600 3.168 -2.906) 8.732 8.845 ( 4.406 0.690 1.310) 4.648 8.861 ( -6.455 -1.282 0.433) 6.595 8.920 ( 2.231 1.365 1.049) 2.818 8.953 ( -1.747 -2.025 -1.289) 2.969 9.029 ( 0.041 0.270 0.826) 0.870 9.059 ( 0.293 -0.794 -2.172) 2.331 9.145 ( 0.241 -0.732 1.495) 1.682 9.194 ( -2.432 -0.434 -0.836) 2.608 9.234 ( -0.817 -1.265 1.081) 1.854 9.306 ( 2.596 -2.683 -3.801) 5.328 9.788 ( -1.252 1.767 5.347) 5.769 9.877 ( 2.440 -1.856 -2.133) 3.735 10.048 ( 1.879 -0.506 -1.297) 2.338 10.073 ( -2.039 -1.182 -4.017) 4.657 10.313 ( -3.604 5.216 1.611) 6.541 10.339 ( 3.296 4.112 -0.869) 5.341 10.504 ( 0.461 -3.399 1.227) 3.643 10.526 ( -0.247 -4.087 -0.895) 4.191 10.663 ( -0.854 2.658 1.056) 2.985 10.692 ( -0.151 4.273 -1.708) 4.605 10.832 ( 0.564 -3.125 3.334) 4.605 10.900 ( -0.004 -3.206 -3.253) 4.568 11.055 ( -0.773 3.262 0.078) 3.353 11.056 ( 0.714 3.216 -0.094) 3.296 11.293 ( 1.727 -5.583 1.041) 5.936 11.314 ( -2.013 -4.978 -1.028) 5.468 11.872 ( -4.143 1.736 2.563) 5.171 11.917 ( 4.668 0.638 -1.921) 5.088 12.028 ( -3.228 -2.412 1.115) 4.181 12.052 ( 1.656 -2.714 -1.218) 3.404 12.197 ( 0.526 4.354 1.288) 4.571 12.229 ( -0.827 5.861 -1.735) 6.168 12.282 ( -0.444 3.796 3.347) 5.080 12.340 ( 1.555 4.272 -2.189) 5.046 12.484 ( -1.144 5.700 0.592) 5.844 12.514 ( 0.844 7.290 -2.316) 7.696 12.742 ( -1.718 -4.354 1.182) 4.828 12.759 ( 1.989 -3.937 -0.516) 4.441 13.066 ( -0.562 1.629 1.389) 2.214 13.099 ( 0.617 -0.398 -1.827) 1.969 13.178 ( -0.491 -1.491 1.106) 1.920 13.196 ( -0.112 -2.251 -0.644) 2.344 14.044 ( 1.929 6.985 0.394) 7.257 14.058 ( -1.443 5.464 -1.011) 5.741 14.142 ( -3.643 0.489 0.703) 3.742 14.158 ( 3.491 0.607 -0.812) 3.635 14.235 ( -1.291 3.450 1.379) 3.933 14.261 ( -0.859 3.636 -1.345) 3.970 14.408 ( 0.476 -0.434 0.582) 0.868 14.414 ( 1.706 -0.174 0.074) 1.717 14.508 ( -1.385 5.700 3.136) 6.651 14.604 ( 2.321 10.802 -7.085) 13.125 14.831 ( 1.763 -4.631 1.079) 5.071 14.858 ( -0.215 -1.898 -1.543) 2.455 14.957 ( -4.943 6.843 1.335) 8.546 15.001 ( 4.472 14.050 -3.495) 15.153 15.451 ( -0.177 -4.778 7.139) 8.592 15.574 ( -1.249 -2.507 -4.501) 5.302 15.719 ( -2.100 -0.025 0.523) 2.165 15.726 ( 3.147 0.079 0.037) 3.148 15.791 ( 2.542 -2.529 2.133) 4.172 15.873 ( -2.037 -5.421 -6.014) 8.349 16.211 ( 0.984 1.040 0.583) 1.546 16.222 ( -2.214 0.049 -0.495) 2.269 16.233 ( -0.289 -0.459 1.880) 1.957 16.269 ( -0.137 -1.471 -1.445) 2.066 17.156 ( -0.580 1.296 0.022) 1.420 17.158 ( 0.706 1.065 -0.140) 1.285 17.230 ( -0.555 -0.357 1.388) 1.537 17.249 ( 0.712 -0.994 -0.455) 1.304 19.575 ( -1.031 0.060 1.073) 1.489 19.610 ( 1.002 -0.560 -2.535) 2.783 19.809 ( 0.044 -3.198 0.708) 3.275 19.815 ( -0.385 -3.085 0.105) 3.111 20.606 ( -2.054 0.432 1.256) 2.446 20.616 ( 1.148 0.040 0.388) 1.212 20.804 ( -0.982 0.190 -0.245) 1.030 20.816 ( 1.760 -0.218 -1.318) 2.210 21.605 ( 1.238 1.089 1.824) 2.459 21.636 ( 0.153 0.335 -1.226) 1.280 21.751 ( -0.185 -1.967 1.202) 2.313 21.767 ( -0.817 -1.755 -0.519) 2.004 22.928 ( -1.485 -1.928 -0.447) 2.474 22.941 ( 1.707 -1.802 -1.841) 3.091 23.243 ( 0.086 -0.462 0.782) 0.913 23.246 ( -0.946 -0.500 0.569) 1.211 26.493 ( -0.247 0.099 -0.316) 0.413 26.493 ( 0.045 0.124 -0.343) 0.368 26.564 ( 0.780 0.191 0.387) 0.892 26.566 ( -0.411 0.062 0.166) 0.448 29.271 ( -2.436 0.224 1.469) 2.853 29.287 ( -0.049 0.117 0.611) 0.623 29.337 ( 4.899 0.224 2.079) 5.327 29.405 ( -0.473 -1.982 -3.697) 4.222 29.619 ( -0.947 15.455 7.290) 17.114 29.823 ( -1.228 21.977 -12.571) 25.348 30.266 ( -0.792 -0.517 9.341) 9.389 30.437 ( -0.075 -1.402 -5.531) 5.706 30.495 ( 0.863 0.252 1.151) 1.460 30.508 ( -0.359 -0.196 0.152) 0.436 30.653 ( 1.215 0.381 1.617) 2.058 30.725 ( -1.011 -1.915 -4.394) 4.899 31.323 ( -2.903 5.194 1.802) 6.217 31.389 ( 2.176 11.477 -5.663) 12.982 31.630 ( -0.747 -4.926 12.222) 13.199 31.932 ( 1.717 -3.044 -8.317) 9.021 31.977 ( 0.319 1.834 0.810) 2.030 32.017 ( 5.965 -0.040 -4.191) 7.290 32.078 ( -1.364 -2.152 1.683) 3.054 32.161 ( 2.475 -5.464 -7.792) 9.833 32.237 ( -5.948 0.235 0.340) 5.962 32.244 ( -6.812 0.088 0.073) 6.813 32.359 ( 5.805 0.745 -0.958) 5.930 32.451 ( -0.542 -4.353 -17.491) 18.033 33.364 ( -0.236 -0.104 1.644) 1.664 33.373 ( -0.475 -0.096 1.305) 1.392 33.592 ( 0.365 0.534 -2.298) 2.388 33.648 ( -0.126 -1.666 -6.094) 6.319 34.658 ( -0.217 0.357 1.107) 1.183 34.663 ( 1.411 0.327 0.852) 1.681 34.722 ( 3.329 0.551 2.241) 4.051 34.750 ( -2.565 -0.499 0.089) 2.614 35.243 ( -0.952 2.743 0.674) 2.981 35.264 ( 1.636 2.528 -1.226) 3.251 35.371 ( 1.158 -2.353 1.327) 2.939 35.394 ( -0.680 -2.744 -0.990) 2.995 35.560 ( 0.607 0.320 7.844) 7.874 35.611 ( 1.059 -2.517 7.326) 7.818 35.738 ( -0.444 1.257 -6.555) 6.689 35.789 ( -1.103 -1.366 -7.143) 7.356 36.936 ( -0.473 13.580 28.114) 31.225 37.363 ( -0.210 4.687 -13.153) 13.964 38.017 ( -1.513 -16.362 8.277) 18.399 38.169 ( 0.781 -12.128 -6.448) 13.758 ======================= Grid point 94 (49/63) ======================= q-point: ( 0.12 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.045 ( 6.473 3.315 -3.232) 7.958 1.075 ( 8.819 1.430 4.332) 9.929 1.112 ( 1.044 2.878 -0.567) 3.113 1.186 ( 4.010 -0.532 -0.072) 4.046 1.449 ( 2.025 3.228 -8.957) 9.734 1.512 ( 1.894 2.591 5.900) 6.716 1.609 ( 0.788 3.018 -2.094) 3.757 1.642 ( -2.286 5.315 0.155) 5.788 1.727 ( 3.009 0.079 1.418) 3.327 1.772 ( 3.422 0.601 -0.168) 3.478 1.869 ( 1.434 -1.676 2.180) 3.102 1.958 ( 4.825 2.795 -0.568) 5.605 2.138 ( -2.792 0.946 -4.865) 5.689 2.178 ( -6.385 -5.683 -2.165) 8.817 2.252 ( 2.654 -4.631 1.527) 5.552 2.351 ( -2.806 1.222 0.043) 3.061 2.389 ( 3.087 -5.146 2.470) 6.489 2.542 ( 0.762 3.546 -5.270) 6.398 2.658 ( -0.144 1.137 8.330) 8.408 2.719 ( -1.013 -3.129 -3.701) 4.952 2.762 ( 1.895 -1.434 2.951) 3.789 2.816 ( 6.050 3.060 -6.322) 9.270 2.837 ( -0.333 -2.586 3.737) 4.556 2.919 ( 4.135 -2.286 -5.180) 7.011 2.970 ( -1.392 -3.071 -1.346) 3.630 2.993 ( 4.965 -0.566 5.787) 7.646 3.057 ( 1.147 4.923 4.022) 6.460 3.121 ( 1.909 6.507 1.802) 7.016 3.138 ( 6.088 -4.666 1.836) 7.887 3.270 ( 3.647 1.029 -0.590) 3.835 3.306 ( 6.545 1.246 4.165) 7.857 3.365 ( 10.108 -0.022 -1.017) 10.159 3.487 ( 3.326 -0.851 -0.553) 3.478 3.547 ( 6.593 -0.471 -1.778) 6.845 3.759 ( -0.141 0.097 -3.475) 3.480 3.840 ( 2.300 -0.368 1.173) 2.608 3.912 ( -1.445 1.084 -6.325) 6.578 3.986 ( 0.749 1.302 0.190) 1.514 4.126 ( -2.401 5.874 -1.480) 6.516 4.178 ( -2.687 5.279 1.769) 6.182 4.312 ( -4.692 -0.546 3.488) 5.872 4.413 ( -4.640 -1.963 -0.650) 5.080 4.441 ( 2.412 4.419 -7.364) 8.920 4.468 ( -4.658 0.788 1.278) 4.894 4.524 ( 0.235 -0.876 6.507) 6.570 4.552 ( -2.866 -1.098 -0.445) 3.102 4.628 ( 1.965 7.014 3.086) 7.911 4.768 ( 0.111 3.906 2.125) 4.448 4.836 ( 0.853 -0.531 0.939) 1.376 4.906 ( 0.168 5.063 1.051) 5.173 4.937 ( -1.078 -1.878 0.278) 2.184 5.021 ( 2.120 -0.143 -0.500) 2.183 5.121 ( -0.401 3.913 0.376) 3.951 5.202 ( -1.508 1.156 6.266) 6.547 5.240 ( 3.596 -0.285 -2.223) 4.238 5.262 ( -4.086 1.521 -2.519) 5.035 5.351 ( 1.195 -4.504 -3.439) 5.791 5.424 ( 0.651 -2.889 1.541) 3.338 5.534 ( 3.914 2.339 -1.505) 4.802 5.618 ( 4.769 2.829 0.281) 5.552 5.776 ( -2.081 -8.615 -1.675) 9.019 5.818 ( -1.090 -10.378 -0.412) 10.443 5.869 ( -6.199 -8.573 -2.374) 10.843 5.995 ( 0.662 -6.141 1.031) 6.262 6.279 ( -0.511 -2.744 -1.112) 3.005 6.319 ( 0.731 -1.318 2.467) 2.890 6.408 ( -3.434 0.464 -2.341) 4.182 6.470 ( 0.188 -3.103 3.901) 4.988 6.634 ( -2.864 1.479 1.476) 3.546 6.765 ( 3.916 -1.696 -2.185) 4.795 6.789 ( 1.402 -2.424 0.760) 2.901 6.863 ( 5.003 -2.214 -3.037) 6.257 7.017 ( -5.025 2.203 0.731) 5.535 7.092 ( -1.029 5.665 -1.802) 6.033 7.151 ( -8.500 -4.691 0.824) 9.744 7.356 ( 1.492 -6.112 -2.056) 6.619 8.170 ( -14.918 4.271 -0.628) 15.530 8.198 ( -13.570 5.119 0.398) 14.509 8.408 ( -15.833 -5.498 0.480) 16.768 8.451 ( -9.892 -6.728 -0.684) 11.983 8.663 ( 1.055 4.549 -2.682) 5.385 8.777 ( -0.720 0.804 -0.373) 1.142 8.881 ( -1.614 2.363 1.758) 3.359 8.891 ( 6.830 1.479 2.451) 7.406 8.975 ( 2.622 -1.739 1.545) 3.505 9.018 ( 6.124 -2.122 -0.531) 6.504 9.046 ( 2.121 -0.792 -1.059) 2.499 9.083 ( 3.284 -0.709 0.611) 3.415 9.216 ( 5.362 0.054 0.130) 5.364 9.241 ( 6.018 -0.380 2.609) 6.570 9.276 ( 3.350 -1.067 1.921) 4.006 9.332 ( 5.146 -2.951 -3.281) 6.780 9.815 ( -1.519 1.161 1.513) 2.438 9.857 ( 0.181 -0.506 -4.564) 4.596 9.979 ( -5.267 -1.058 -0.886) 5.445 10.052 ( -2.151 -1.978 1.982) 3.531 10.196 ( -10.960 5.657 1.359) 12.409 10.294 ( -7.007 2.667 -0.620) 7.523 10.415 ( -9.440 -3.331 -0.381) 10.017 10.421 ( -8.525 -2.379 -0.146) 8.852 10.629 ( -4.505 3.239 1.761) 5.821 10.649 ( -2.762 3.444 -0.294) 4.424 10.817 ( -3.788 -3.189 -0.520) 4.979 10.860 ( -2.932 -4.051 0.227) 5.006 11.147 ( 11.338 1.903 -0.330) 11.502 11.214 ( 12.496 0.674 0.217) 12.516 11.320 ( 4.247 -3.337 -0.549) 5.429 11.389 ( 6.843 -3.552 1.166) 7.798 11.861 ( 0.288 3.844 1.981) 4.334 11.957 ( 1.601 1.503 -2.333) 3.203 12.045 ( 3.656 -2.394 1.609) 4.657 12.090 ( 1.498 -3.537 0.093) 3.842 12.146 ( -5.120 5.538 -0.388) 7.552 12.198 ( -2.113 3.653 0.089) 4.221 12.276 ( -2.509 2.861 0.369) 3.823 12.317 ( 0.304 1.479 -2.102) 2.588 12.502 ( 1.551 6.463 1.458) 6.805 12.539 ( 3.518 3.959 -0.304) 5.305 12.718 ( -1.032 -3.241 0.536) 3.443 12.771 ( 0.113 -3.670 -0.974) 3.799 13.090 ( 1.579 2.971 0.981) 3.505 13.115 ( 3.167 1.277 -1.123) 3.594 13.267 ( 8.761 -4.561 0.718) 9.904 13.313 ( 10.708 -4.837 0.219) 11.752 13.927 ( -9.906 7.546 -0.438) 12.460 13.950 ( -9.704 6.927 0.271) 11.926 14.091 ( -2.740 -2.036 0.305) 3.427 14.122 ( -8.087 -2.076 0.120) 8.350 14.238 ( 0.335 5.369 0.115) 5.380 14.261 ( 4.462 6.281 1.307) 7.815 14.421 ( 2.924 1.223 -0.855) 3.283 14.497 ( -0.980 -0.300 -0.403) 1.101 14.649 ( 9.278 10.029 4.503) 14.385 14.690 ( 16.766 7.564 -6.060) 19.366 14.943 ( 10.267 -2.776 -0.038) 10.636 14.964 ( 10.694 -1.488 0.387) 10.804 15.024 ( 10.672 6.075 0.766) 12.304 15.135 ( 12.877 2.800 -1.351) 13.247 15.430 ( -6.388 -4.816 -1.258) 8.099 15.489 ( -7.135 -3.873 1.271) 8.217 15.676 ( -0.920 0.269 -0.065) 0.961 15.719 ( -1.942 1.544 0.748) 2.591 15.761 ( -2.089 -4.491 -4.346) 6.589 15.849 ( -1.185 -3.787 3.645) 5.388 16.227 ( 2.686 0.827 -0.178) 2.816 16.264 ( 2.461 -1.091 -1.147) 2.926 16.270 ( 2.847 0.860 1.665) 3.408 16.326 ( 5.511 -0.534 1.904) 5.855 17.146 ( -0.539 1.317 -0.047) 1.424 17.167 ( 0.564 0.698 -0.114) 0.904 17.229 ( -0.870 -0.337 0.694) 1.163 17.247 ( 0.201 -0.843 -1.139) 1.431 19.601 ( 2.128 -0.231 1.870) 2.842 19.623 ( 2.995 -1.206 -1.711) 3.654 19.822 ( 2.142 -1.882 0.309) 2.868 19.837 ( 2.227 -2.218 0.357) 3.163 20.540 ( -6.773 1.228 1.100) 6.971 20.591 ( -4.574 -0.847 0.179) 4.655 20.745 ( -5.208 1.180 0.023) 5.340 20.794 ( -2.599 -0.926 -0.941) 2.915 21.669 ( 6.357 1.095 -2.210) 6.818 21.690 ( 6.327 0.234 -0.495) 6.351 21.795 ( 5.261 -0.909 0.672) 5.382 21.822 ( 5.828 -1.551 1.100) 6.130 22.864 ( -5.675 -0.411 0.284) 5.697 22.921 ( -2.483 -3.135 -0.275) 4.009 23.164 ( -8.653 -0.224 0.271) 8.660 23.187 ( -7.087 -1.260 0.542) 7.218 26.599 ( 11.800 0.540 0.204) 11.814 26.612 ( 12.342 0.735 0.416) 12.370 26.712 ( 16.675 -1.406 -2.412) 16.907 26.739 ( 18.388 -2.006 2.583) 18.677 28.982 ( -21.817 4.946 0.151) 22.371 29.097 ( -22.124 6.467 -0.713) 23.060 29.206 ( -15.165 -4.298 0.650) 15.775 29.249 ( -13.476 -2.114 -1.716) 13.748 29.831 ( 16.147 12.646 -0.779) 20.524 30.000 ( 17.167 15.864 3.686) 23.664 30.359 ( 2.467 -3.846 -2.261) 5.098 30.445 ( 6.049 0.219 2.180) 6.434 30.526 ( 1.842 -0.899 -0.064) 2.051 30.546 ( 5.191 -0.301 -0.314) 5.209 30.701 ( 3.829 -1.154 -1.870) 4.415 30.766 ( 7.187 -0.891 2.066) 7.531 31.305 ( -2.312 6.844 2.334) 7.592 31.426 ( 5.049 7.400 -0.346) 8.965 31.704 ( -7.081 -7.213 1.597) 10.234 31.791 ( -3.412 -4.518 -8.719) 10.396 31.845 ( -8.627 1.830 -0.836) 8.859 31.906 ( -6.458 1.719 0.403) 6.695 32.022 ( -3.411 -5.296 5.267) 8.212 32.046 ( -5.370 -2.913 0.981) 6.188 32.367 ( 11.111 -0.017 5.663) 12.471 32.392 ( 11.688 -0.701 3.158) 12.127 32.478 ( 12.542 1.378 -3.549) 13.107 32.530 ( 12.532 -1.059 0.169) 12.577 33.352 ( -2.573 0.160 -0.042) 2.579 33.363 ( -2.027 -0.034 0.304) 2.050 33.559 ( -3.512 -0.283 -2.013) 4.058 33.583 ( -2.891 -1.155 3.621) 4.776 34.595 ( -4.078 1.288 -0.757) 4.343 34.652 ( -3.535 -1.265 -2.576) 4.553 34.752 ( 3.557 1.537 -0.722) 3.942 34.805 ( 3.428 -0.857 0.249) 3.542 35.242 ( 0.094 3.284 0.437) 3.314 35.289 ( 2.862 2.193 -1.339) 3.846 35.386 ( 1.665 -2.616 -1.473) 3.433 35.423 ( 3.029 -3.133 0.502) 4.387 35.637 ( 2.031 -0.685 -7.752) 8.043 35.649 ( 1.153 -1.513 -4.174) 4.587 35.719 ( 1.825 1.219 4.271) 4.802 35.759 ( 2.156 -0.741 6.940) 7.305 37.077 ( -6.343 10.911 -21.632) 25.045 37.170 ( -6.976 8.550 19.446) 22.359 37.936 ( -16.492 -12.945 -6.004) 21.809 37.951 ( -16.801 -11.978 6.147) 21.529 ======================= Grid point 95 (50/63) ======================= q-point: ( 0.25 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.120 ( 1.799 2.031 -2.642) 3.787 1.122 ( 5.661 2.572 -2.567) 6.728 1.202 ( 1.453 -0.257 -1.480) 2.090 1.244 ( 6.242 -2.218 -1.896) 6.891 1.338 ( 5.910 4.276 -8.676) 11.335 1.558 ( 4.436 2.245 -3.340) 5.990 1.634 ( 2.933 3.174 -1.826) 4.691 1.728 ( 2.243 -2.191 -1.537) 3.492 1.805 ( 2.951 0.052 0.285) 2.965 1.889 ( 1.150 -2.260 3.164) 4.055 1.921 ( 7.632 -1.837 0.047) 7.850 1.976 ( -1.902 -0.651 -3.527) 4.060 2.014 ( -2.149 -2.384 1.399) 3.501 2.114 ( 8.026 1.777 -2.250) 8.523 2.256 ( -6.437 7.654 4.540) 10.983 2.418 ( -1.085 5.850 -2.836) 6.592 2.427 ( 6.893 -0.341 1.329) 7.028 2.562 ( 13.297 -8.460 -3.702) 16.190 2.639 ( -1.182 -0.914 0.886) 1.737 2.682 ( -6.727 -3.814 -9.247) 12.054 2.718 ( -3.111 -5.566 1.381) 6.524 2.843 ( 10.060 -1.594 -1.341) 10.273 2.870 ( 2.386 1.394 -0.739) 2.860 2.972 ( 2.506 -1.320 0.498) 2.876 3.082 ( 2.762 3.804 -1.264) 4.868 3.120 ( 9.614 3.343 1.072) 10.234 3.156 ( 7.402 1.443 2.097) 7.827 3.246 ( 7.429 -0.398 1.845) 7.665 3.292 ( 8.612 5.814 -2.284) 10.639 3.409 ( 1.119 0.913 2.134) 2.577 3.424 ( 6.886 1.336 3.666) 7.914 3.515 ( 5.730 -2.680 -2.297) 6.730 3.548 ( 4.435 1.147 1.424) 4.797 3.617 ( 6.848 2.854 -7.013) 10.209 3.727 ( -5.402 3.898 -4.553) 8.069 3.774 ( 4.830 -3.262 1.806) 6.102 3.849 ( -1.393 -1.059 -2.286) 2.879 3.986 ( -1.187 -1.923 2.190) 3.146 4.076 ( 0.292 4.558 -0.158) 4.570 4.196 ( 0.133 -1.860 1.760) 2.564 4.272 ( -7.208 0.816 0.030) 7.254 4.280 ( -5.419 3.246 6.964) 9.402 4.356 ( 1.534 3.443 -6.522) 7.533 4.491 ( -1.290 0.529 5.055) 5.244 4.613 ( 0.416 4.749 -2.171) 5.238 4.655 ( 0.493 -1.389 2.981) 3.326 4.666 ( 3.696 1.064 8.228) 9.083 4.762 ( 1.039 5.161 -2.718) 5.925 4.816 ( -4.585 -3.026 2.217) 5.924 4.878 ( -1.617 1.496 -1.603) 2.724 4.952 ( -3.699 1.076 2.306) 4.490 5.062 ( -3.245 2.695 -0.048) 4.218 5.097 ( -0.201 -1.937 1.499) 2.457 5.189 ( -2.180 -1.357 4.120) 4.855 5.238 ( 1.156 0.429 1.684) 2.087 5.285 ( 0.556 1.466 3.646) 3.969 5.333 ( -2.518 -6.320 1.771) 7.030 5.453 ( 0.650 -1.768 0.053) 1.884 5.586 ( -0.127 1.706 -0.068) 1.712 5.669 ( -4.692 -3.241 -2.932) 6.412 5.714 ( 5.058 -1.990 -2.146) 5.844 5.766 ( 0.026 -3.087 -1.058) 3.264 5.777 ( -0.350 -10.583 -0.690) 10.611 5.985 ( -2.574 -6.361 0.494) 6.880 6.272 ( -0.251 2.704 -1.491) 3.098 6.333 ( 1.185 3.132 -2.153) 3.981 6.367 ( 4.381 0.705 -0.718) 4.495 6.508 ( -0.665 -3.899 -0.717) 4.020 6.682 ( 3.964 1.701 5.032) 6.628 6.813 ( 3.089 1.127 -2.750) 4.287 6.822 ( 1.480 -2.823 -0.824) 3.292 6.887 ( 2.247 -1.228 -1.914) 3.197 6.946 ( -2.495 1.317 1.022) 3.000 7.001 ( -5.267 1.692 0.481) 5.553 7.071 ( -0.983 0.972 -0.665) 1.534 7.317 ( -2.364 -5.342 -3.014) 6.573 7.873 ( -16.298 4.872 0.579) 17.020 7.981 ( -12.560 4.602 0.386) 13.382 8.112 ( -17.555 -4.914 1.047) 18.260 8.255 ( -11.190 -7.474 -0.592) 13.469 8.681 ( 3.372 4.117 -1.647) 5.571 8.766 ( 0.330 1.166 -1.071) 1.617 8.888 ( -0.486 1.314 2.248) 2.648 8.961 ( -0.043 -2.517 1.526) 2.944 9.040 ( 1.746 0.237 -0.609) 1.864 9.070 ( 3.628 0.989 0.430) 3.785 9.121 ( 4.507 -1.997 0.526) 4.958 9.151 ( 3.102 -1.612 1.140) 3.677 9.322 ( 2.513 0.539 -1.070) 2.784 9.360 ( 6.579 -1.124 -0.358) 6.684 9.366 ( 5.719 -0.957 2.982) 6.521 9.434 ( 7.566 -2.622 1.355) 8.122 9.747 ( -5.130 0.185 -3.108) 6.001 9.772 ( -5.351 -1.133 -1.768) 5.748 9.879 ( -4.536 -1.055 -1.347) 4.848 9.956 ( -10.103 0.044 0.044) 10.103 10.024 ( -10.417 2.506 -0.393) 10.722 10.157 ( -8.521 3.450 2.588) 9.551 10.225 ( -8.002 -0.635 -1.939) 8.258 10.309 ( -5.644 -2.746 1.589) 6.475 10.574 ( -3.620 1.809 1.510) 4.320 10.608 ( -1.956 2.389 0.497) 3.127 10.746 ( -3.863 -2.261 0.500) 4.504 10.773 ( -5.974 -3.119 -0.697) 6.775 11.361 ( 12.229 -0.876 0.069) 12.260 11.394 ( 6.934 -3.207 0.345) 7.647 11.441 ( 8.989 1.978 -0.130) 9.205 11.522 ( 6.348 -1.111 0.300) 6.451 11.916 ( 3.040 3.865 1.268) 5.078 11.949 ( 0.300 2.833 -1.353) 3.154 12.045 ( -4.054 0.438 -0.633) 4.127 12.080 ( -1.549 0.327 -0.431) 1.640 12.126 ( 2.267 0.314 1.092) 2.536 12.202 ( 0.749 0.753 1.955) 2.225 12.247 ( 2.231 -1.137 -2.039) 3.229 12.303 ( -0.125 -2.090 -1.298) 2.463 12.564 ( 2.309 4.934 1.817) 5.742 12.583 ( 1.889 1.216 -1.158) 2.528 12.724 ( -0.440 -2.605 0.874) 2.783 12.741 ( -1.369 -3.233 -1.367) 3.768 13.145 ( 3.965 5.465 0.279) 6.758 13.174 ( 4.623 4.881 -0.398) 6.734 13.432 ( 6.908 -7.274 1.151) 10.098 13.476 ( 5.728 -7.943 -0.318) 9.799 13.784 ( -4.051 9.143 0.050) 10.000 13.830 ( -2.595 8.954 0.511) 9.336 13.999 ( -5.061 -2.676 0.126) 5.727 14.073 ( 0.394 -4.541 -0.049) 4.559 14.216 ( -2.579 8.843 -0.682) 9.237 14.322 ( -1.013 6.756 1.397) 6.973 14.403 ( -2.305 1.001 -1.123) 2.753 14.480 ( -0.964 1.602 -0.898) 2.074 14.844 ( 6.461 6.826 3.478) 10.022 14.886 ( 10.206 3.185 -2.902) 11.078 15.126 ( 7.881 -4.755 0.211) 9.206 15.180 ( 9.849 -2.685 0.175) 10.210 15.255 ( 10.209 -0.345 -0.827) 10.249 15.290 ( 1.060 -0.009 0.898) 1.390 15.343 ( 5.075 -3.026 -1.031) 5.997 15.366 ( -3.281 -4.252 0.725) 5.420 15.659 ( 0.804 0.124 -2.225) 2.369 15.689 ( 1.271 -1.149 -1.516) 2.287 15.816 ( 5.416 1.215 5.406) 7.748 15.856 ( -2.055 -1.279 3.076) 3.915 16.270 ( 1.890 0.109 -0.373) 1.930 16.281 ( 1.274 -0.415 -0.839) 1.581 16.335 ( 1.472 2.156 1.895) 3.226 16.427 ( 0.526 -1.520 3.153) 3.540 17.141 ( 0.135 1.211 -0.004) 1.219 17.179 ( 1.122 -0.066 -0.102) 1.129 17.224 ( -0.322 -0.303 0.026) 0.443 17.232 ( -0.213 -0.318 -0.934) 1.009 19.667 ( 5.341 -0.585 -1.284) 5.525 19.698 ( 5.339 -1.307 2.508) 6.042 19.902 ( 5.541 -0.131 0.553) 5.570 19.925 ( 7.078 -0.752 1.877) 7.361 20.416 ( -8.999 1.349 1.331) 9.196 20.470 ( -8.682 -0.766 -0.540) 8.732 20.641 ( -7.148 1.317 1.030) 7.341 20.709 ( -5.987 -1.447 -0.608) 6.189 21.795 ( 10.678 1.181 -1.821) 10.896 21.805 ( 9.828 1.158 -1.557) 10.017 21.947 ( 9.813 -0.418 0.887) 9.861 21.968 ( 9.335 -1.170 0.493) 9.421 22.746 ( -8.465 0.541 0.681) 8.509 22.844 ( -6.524 -3.737 0.038) 7.519 22.983 ( -11.293 -0.298 -0.146) 11.297 23.030 ( -10.497 -1.718 -0.509) 10.649 26.858 ( 17.740 1.852 -0.980) 17.864 26.906 ( 19.583 3.074 1.980) 19.922 27.004 ( 21.536 -1.793 -4.159) 22.007 27.251 ( 25.931 -11.084 11.915) 30.614 28.601 ( -22.079 5.841 0.529) 22.845 28.681 ( -24.587 7.384 -0.316) 25.674 28.892 ( -20.314 -5.890 0.055) 21.151 28.913 ( -21.483 -3.908 -1.807) 21.911 30.086 ( 14.361 7.192 -1.268) 16.112 30.298 ( 10.054 13.284 3.768) 17.081 30.398 ( 7.241 -5.318 -3.571) 9.668 30.544 ( 1.671 -0.951 -1.759) 2.606 30.577 ( 6.246 3.728 1.281) 7.386 30.718 ( 10.302 3.944 3.493) 11.571 30.790 ( 7.356 -4.988 1.829) 9.074 30.926 ( 6.836 -2.028 2.691) 7.621 31.268 ( -5.874 5.962 2.103) 8.630 31.449 ( -8.201 4.957 1.825) 9.755 31.538 ( -5.207 -3.820 -3.345) 7.273 31.659 ( -7.871 -0.894 3.749) 8.764 31.783 ( 1.451 5.230 2.193) 5.854 31.811 ( -1.679 4.826 -0.720) 5.160 32.002 ( 0.484 -3.423 1.131) 3.638 32.188 ( 1.786 -7.795 14.838) 16.856 32.601 ( 10.802 0.827 0.291) 10.838 32.653 ( 7.823 -0.930 8.939) 11.915 32.691 ( 13.731 0.507 0.594) 13.753 32.747 ( 10.705 -1.653 0.537) 10.845 33.270 ( -4.738 0.528 -2.969) 5.616 33.320 ( -3.389 -1.681 1.681) 4.139 33.492 ( -5.989 1.518 3.809) 7.258 33.561 ( -6.372 -1.529 4.839) 8.146 34.521 ( -2.710 0.970 -0.783) 2.983 34.558 ( -2.250 -0.587 -2.815) 3.651 34.792 ( 3.110 0.989 -2.730) 4.255 34.839 ( 2.391 -0.977 -2.981) 3.945 35.261 ( 0.867 3.249 1.382) 3.636 35.320 ( 2.808 2.092 -1.793) 3.934 35.404 ( 2.713 -2.697 -2.090) 4.359 35.476 ( 2.285 -3.644 0.404) 4.320 35.566 ( 1.231 -0.879 -7.666) 7.814 35.592 ( 4.838 -0.722 -9.534) 10.716 35.867 ( 3.326 0.606 6.599) 7.415 35.880 ( 2.586 0.297 3.449) 4.321 36.685 ( -3.755 10.308 -22.120) 24.691 37.147 ( -12.527 -5.021 -0.169) 13.497 37.445 ( -19.651 -0.125 -8.289) 21.328 37.732 ( -22.078 -7.663 9.933) 25.393 ======================= Grid point 96 (51/63) ======================= q-point: ( 0.38 0.25 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 3.150 0.683 -2.969) 4.382 1.175 ( 2.630 1.252 -0.930) 3.058 1.199 ( 1.503 1.279 -2.104) 2.884 1.260 ( -0.207 -0.862 -1.870) 2.070 1.470 ( 9.041 1.276 0.274) 9.135 1.637 ( -0.286 1.216 -1.119) 1.676 1.647 ( 9.012 -1.957 0.634) 9.244 1.724 ( -0.702 -0.936 -2.685) 2.929 1.771 ( -0.792 -1.668 -8.841) 9.032 1.824 ( -2.164 -0.412 -3.287) 3.956 1.892 ( 2.731 1.282 1.178) 3.239 2.008 ( 1.346 -0.666 2.914) 3.278 2.158 ( -0.082 0.046 3.934) 3.935 2.254 ( 9.365 -0.645 -2.948) 9.839 2.277 ( 4.315 1.098 3.912) 5.927 2.361 ( -4.648 3.261 -1.582) 5.894 2.488 ( -2.282 1.053 -0.061) 2.514 2.564 ( -1.026 -4.021 -0.962) 4.260 2.628 ( 6.039 2.862 3.844) 7.710 2.671 ( 1.728 1.312 -4.030) 4.577 2.774 ( 5.093 -0.877 -0.074) 5.168 2.903 ( 4.130 -1.020 -3.698) 5.636 3.003 ( 6.680 0.047 -3.698) 7.635 3.038 ( 4.013 0.014 -2.501) 4.729 3.097 ( 1.730 1.866 -5.271) 5.853 3.150 ( -4.449 2.473 -0.382) 5.104 3.224 ( 4.246 1.959 -4.692) 6.624 3.298 ( 1.953 -2.845 -2.077) 4.028 3.409 ( 9.326 -0.067 -3.668) 10.022 3.433 ( -1.139 -3.756 -0.012) 3.925 3.503 ( 1.588 -0.584 -5.311) 5.574 3.528 ( 3.588 -1.739 1.741) 4.351 3.634 ( 0.948 1.542 2.564) 3.138 3.654 ( 7.010 2.732 1.744) 7.723 3.760 ( 9.537 4.871 0.273) 10.712 3.824 ( 0.518 1.158 2.179) 2.521 3.952 ( -1.922 2.187 -1.174) 3.140 3.986 ( 3.579 -0.663 5.671) 6.739 4.113 ( 0.652 5.805 4.262) 7.231 4.211 ( -2.542 0.950 5.565) 6.191 4.233 ( 1.936 -3.274 0.991) 3.930 4.297 ( -3.294 2.290 4.710) 6.187 4.325 ( 3.182 -0.195 -3.282) 4.576 4.497 ( -3.392 2.081 -2.859) 4.900 4.570 ( -0.403 3.383 2.311) 4.117 4.649 ( -1.445 -3.993 -1.833) 4.625 4.715 ( -2.654 -0.343 -2.768) 3.850 4.724 ( -3.174 0.835 -1.082) 3.455 4.798 ( -0.005 5.372 -1.926) 5.707 4.830 ( -1.755 0.628 0.723) 1.999 4.893 ( -3.845 0.560 3.624) 5.313 4.967 ( -5.728 -0.756 0.625) 5.811 5.082 ( -1.903 -3.888 0.117) 4.331 5.215 ( -0.209 0.735 -0.292) 0.818 5.255 ( -2.293 2.418 -0.020) 3.332 5.338 ( 0.235 -2.442 7.255) 7.659 5.390 ( -2.958 1.684 -3.535) 4.907 5.414 ( 0.876 -3.923 6.885) 7.973 5.575 ( 0.163 3.276 2.952) 4.412 5.618 ( -2.432 -2.121 3.478) 4.744 5.718 ( 0.399 0.746 -3.614) 3.711 5.773 ( 1.983 -8.277 -0.371) 8.520 5.838 ( 3.711 -5.073 0.720) 6.326 5.937 ( -2.799 -6.726 -0.636) 7.313 6.244 ( 1.444 4.641 -1.373) 5.051 6.380 ( 4.636 1.531 -1.251) 5.040 6.446 ( 3.225 -1.297 -3.075) 4.641 6.483 ( 2.049 -0.753 -2.846) 3.587 6.761 ( 2.503 0.805 -0.370) 2.655 6.777 ( -0.232 0.802 0.526) 0.987 6.857 ( 2.393 1.598 1.227) 3.128 6.903 ( -3.785 0.872 2.858) 4.823 6.953 ( 1.823 -2.332 1.803) 3.466 7.007 ( 3.597 -0.544 -1.996) 4.149 7.068 ( -1.043 -1.157 0.554) 1.653 7.192 ( -7.202 -3.757 -3.546) 8.863 7.679 ( -8.292 4.167 3.986) 10.100 7.803 ( -7.284 4.053 -0.112) 8.337 7.897 ( -8.851 -4.010 2.951) 10.155 8.070 ( -8.713 -7.079 -0.941) 11.265 8.713 ( 2.296 3.615 -1.578) 4.564 8.757 ( 0.295 2.330 -1.517) 2.796 8.915 ( 0.184 0.298 2.046) 2.076 8.965 ( -0.697 -2.173 0.495) 2.335 9.063 ( 3.009 1.457 -0.512) 3.382 9.124 ( 1.128 0.699 0.798) 1.549 9.189 ( 1.568 -1.894 1.951) 3.139 9.214 ( 2.543 -1.393 0.372) 2.923 9.354 ( 3.514 0.730 -0.381) 3.609 9.414 ( 2.348 -2.093 0.316) 3.161 9.508 ( 4.144 -0.944 -0.051) 4.250 9.542 ( 0.358 -0.179 0.399) 0.566 9.596 ( -7.467 1.245 -0.707) 7.603 9.666 ( -3.338 -3.293 0.200) 4.693 9.771 ( -7.259 -1.583 -1.859) 7.658 9.787 ( -6.683 -1.668 -1.172) 6.987 9.890 ( 0.357 2.406 -1.967) 3.128 10.015 ( -6.288 -1.110 -0.552) 6.409 10.154 ( -2.772 2.755 0.782) 3.985 10.234 ( -5.125 -2.086 0.390) 5.547 10.552 ( -1.325 1.915 1.533) 2.788 10.589 ( -0.821 3.341 -0.075) 3.441 10.680 ( -3.272 -2.260 0.211) 3.982 10.702 ( -2.383 -0.928 0.671) 2.644 11.488 ( 2.926 0.295 1.016) 3.111 11.531 ( 6.677 -1.276 -0.420) 6.811 11.558 ( 4.779 -0.416 -0.215) 4.802 11.601 ( 3.418 -0.665 -0.265) 3.492 11.938 ( -0.431 1.526 -0.002) 1.586 11.961 ( 0.826 2.107 -1.271) 2.595 11.995 ( -1.088 0.608 0.602) 1.385 12.036 ( -1.998 -0.205 -1.162) 2.320 12.192 ( 2.155 -0.481 1.881) 2.901 12.237 ( 2.183 -1.443 -0.338) 2.639 12.289 ( 2.146 -2.152 0.098) 3.041 12.315 ( 4.753 -2.685 -0.461) 5.478 12.566 ( -0.832 0.516 -1.146) 1.507 12.612 ( 1.324 3.366 -0.081) 3.618 12.664 ( -3.910 -3.100 -0.917) 5.073 12.722 ( -2.805 -1.660 0.320) 3.275 13.231 ( 5.566 6.855 -0.122) 8.831 13.254 ( 4.621 6.245 -0.108) 7.770 13.471 ( -2.386 -1.726 -0.297) 2.960 13.485 ( -2.407 -1.845 0.278) 3.046 13.831 ( 6.790 6.212 1.273) 9.291 13.891 ( 7.094 4.849 -0.070) 8.593 13.959 ( -0.667 -0.756 0.670) 1.211 14.087 ( 1.253 -3.029 -1.254) 3.509 14.152 ( -3.309 6.775 0.062) 7.541 14.279 ( -3.094 5.942 -1.226) 6.811 14.343 ( -4.002 0.346 0.668) 4.072 14.411 ( -4.950 -1.581 -1.206) 5.334 14.933 ( 2.398 0.516 -0.168) 2.458 14.971 ( 3.122 1.083 -0.600) 3.358 15.121 ( -2.207 -5.337 -2.416) 6.260 15.163 ( -7.893 -5.824 1.674) 9.951 15.338 ( 6.234 0.670 -0.611) 6.299 15.399 ( 6.695 1.403 0.156) 6.842 15.432 ( 3.967 -2.923 0.181) 4.931 15.497 ( 6.161 -2.245 0.204) 6.560 15.680 ( 6.528 1.655 -0.305) 6.742 15.760 ( 3.826 -2.064 0.463) 4.372 15.844 ( 0.284 3.141 0.929) 3.288 15.959 ( 0.705 -1.819 3.871) 4.335 16.265 ( -0.958 0.466 0.188) 1.082 16.308 ( 1.605 -1.500 0.134) 2.201 16.360 ( -0.692 0.983 1.066) 1.607 16.397 ( -5.389 -0.477 0.435) 5.427 17.150 ( 0.684 1.149 0.107) 1.342 17.200 ( 1.377 -0.932 -1.426) 2.190 17.209 ( -0.004 0.424 -0.324) 0.533 17.224 ( -0.954 -0.208 0.690) 1.195 19.783 ( 8.758 0.510 -0.130) 8.774 19.837 ( 7.606 -1.640 1.466) 7.918 20.006 ( 3.795 1.322 0.747) 4.088 20.062 ( 3.590 -1.020 1.333) 3.963 20.283 ( -7.452 0.797 1.803) 7.708 20.310 ( -7.566 -0.208 -0.631) 7.595 20.539 ( -6.503 0.734 2.044) 6.856 20.591 ( -5.896 -1.370 -0.512) 6.074 21.976 ( 11.650 2.154 -1.063) 11.895 21.987 ( 10.097 2.045 0.520) 10.315 22.120 ( 8.767 -1.351 0.436) 8.881 22.134 ( 9.374 -1.983 -0.341) 9.587 22.607 ( -7.958 0.912 0.620) 8.034 22.698 ( -9.091 -2.176 -1.191) 9.423 22.807 ( -8.714 -0.990 0.616) 8.791 22.842 ( -9.334 -1.398 -0.703) 9.464 27.170 ( 19.194 2.983 -0.883) 19.444 27.283 ( 18.513 6.480 2.233) 19.741 27.339 ( 22.315 -3.505 -2.677) 22.747 27.742 ( 12.753 -14.463 6.938) 20.493 28.257 ( -18.728 6.110 0.276) 19.702 28.264 ( -21.412 6.098 0.255) 22.265 28.503 ( -21.030 -5.043 0.164) 21.627 28.586 ( -15.964 -7.685 1.591) 17.789 30.282 ( 9.190 4.777 -0.318) 10.362 30.424 ( 5.151 4.911 -2.622) 7.584 30.501 ( 4.693 -2.943 0.029) 5.540 30.547 ( 1.169 -0.539 -1.176) 1.744 30.732 ( 8.904 5.501 3.035) 10.897 30.863 ( 6.593 1.729 -0.503) 6.835 30.979 ( 2.417 -3.164 4.135) 5.741 31.059 ( 7.075 -3.451 0.521) 7.889 31.171 ( -6.176 2.344 1.221) 6.718 31.302 ( -8.208 0.752 2.811) 8.709 31.437 ( -5.645 2.507 2.997) 6.866 31.557 ( -9.249 0.809 4.308) 10.235 31.813 ( 3.287 5.610 0.132) 6.503 31.910 ( 0.511 7.107 6.608) 9.718 32.114 ( 7.875 -3.132 5.335) 10.014 32.373 ( -1.727 -7.071 12.826) 14.747 32.734 ( 5.438 0.660 -2.617) 6.070 32.756 ( -2.942 -0.082 0.912) 3.081 32.938 ( 12.037 -0.618 1.122) 12.105 32.953 ( 12.408 -0.743 1.708) 12.547 33.153 ( -3.616 2.566 -1.778) 4.777 33.286 ( -5.469 -3.402 3.829) 7.493 33.421 ( -7.967 1.445 3.667) 8.889 33.472 ( -9.245 -1.024 2.640) 9.669 34.511 ( 0.433 0.614 2.826) 2.924 34.535 ( 1.141 -0.421 1.204) 1.712 34.786 ( 1.729 0.499 -4.888) 5.209 34.816 ( 1.214 -0.722 -5.529) 5.706 35.301 ( 1.604 2.061 1.057) 2.817 35.338 ( 1.816 2.129 -1.634) 3.240 35.418 ( 2.270 -2.252 -2.710) 4.191 35.503 ( 2.209 -1.527 -7.031) 7.526 35.520 ( 2.317 -1.160 0.120) 2.594 35.573 ( 5.065 -1.167 -7.594) 9.202 35.821 ( -5.188 2.071 -6.386) 8.484 35.905 ( -3.885 -1.538 -5.744) 7.103 36.564 ( 12.117 6.895 -6.634) 15.439 36.909 ( 3.808 -8.415 -8.735) 12.713 37.163 ( -15.445 7.048 3.059) 17.250 37.441 ( -23.305 -5.311 6.340) 24.729 ======================= Grid point 97 (52/63) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( 1.565 0.282 -0.443) 1.651 1.163 ( -2.116 0.646 -1.054) 2.451 1.207 ( 1.315 1.268 -1.007) 2.086 1.220 ( -1.107 0.966 -1.799) 2.323 1.531 ( -0.897 -1.513 1.248) 2.156 1.565 ( -3.211 -2.562 -3.207) 5.212 1.660 ( -0.146 1.825 -3.065) 3.571 1.678 ( -3.129 2.380 -3.553) 5.299 1.767 ( 0.242 4.856 -0.804) 4.928 1.788 ( 4.480 2.767 -1.434) 5.457 2.096 ( 7.098 -3.174 8.665) 11.642 2.121 ( -0.713 -4.492 5.989) 7.520 2.165 ( 1.833 -1.437 4.104) 4.719 2.263 ( 1.680 -6.243 -1.750) 6.698 2.301 ( -0.772 -0.016 -3.476) 3.561 2.307 ( -3.447 -2.325 -5.934) 7.246 2.503 ( -0.636 -1.066 4.714) 4.874 2.545 ( -3.257 -2.708 -0.566) 4.274 2.626 ( -1.420 6.799 4.026) 8.028 2.730 ( -8.171 3.915 -3.672) 9.776 2.785 ( -1.954 4.145 2.295) 5.125 2.910 ( 1.024 1.360 -5.352) 5.616 2.950 ( 0.505 1.504 -5.174) 5.412 2.953 ( 5.958 2.825 -3.463) 7.448 3.076 ( -3.116 -3.369 5.640) 7.271 3.160 ( -5.929 -2.565 -2.620) 6.971 3.180 ( 3.345 0.825 -0.497) 3.481 3.284 ( 0.269 -4.336 -6.803) 8.072 3.398 ( -0.483 -0.393 1.546) 1.667 3.455 ( 4.515 -2.889 -3.618) 6.467 3.523 ( -4.496 -2.173 3.838) 6.298 3.648 ( 4.442 -3.797 -6.502) 8.742 3.729 ( 8.440 8.180 1.160) 11.810 3.740 ( -4.035 5.011 1.378) 6.580 3.819 ( 0.343 7.702 1.889) 7.938 3.899 ( 3.356 4.109 -3.747) 6.495 3.926 ( 1.268 4.287 3.393) 5.612 3.985 ( -4.649 5.699 -1.367) 7.481 4.177 ( -1.510 0.091 5.661) 5.860 4.243 ( 0.363 -2.816 3.102) 4.205 4.272 ( -0.531 -1.665 4.250) 4.596 4.308 ( 0.744 -2.777 -0.274) 2.888 4.369 ( -1.121 -0.682 -2.373) 2.711 4.393 ( 0.046 -1.342 -2.045) 2.447 4.573 ( 0.309 1.093 0.342) 1.186 4.599 ( -2.077 -3.952 -2.072) 4.922 4.638 ( 0.624 -1.074 2.153) 2.486 4.704 ( -0.922 1.282 -3.049) 3.434 4.808 ( 7.515 5.828 -1.050) 9.568 4.822 ( -5.907 4.196 -1.916) 7.494 4.867 ( 0.923 6.561 6.384) 9.201 4.947 ( 0.924 2.018 1.009) 2.439 5.065 ( -1.725 -3.663 1.106) 4.198 5.143 ( 0.852 -5.507 -5.546) 7.861 5.245 ( -3.350 1.971 3.668) 5.345 5.317 ( 1.742 -4.699 -2.429) 5.569 5.431 ( -0.004 -0.033 3.576) 3.576 5.453 ( -1.840 -0.874 2.552) 3.265 5.614 ( -0.194 4.514 4.403) 6.309 5.679 ( -1.366 -4.601 0.958) 4.894 5.699 ( 4.097 1.865 -0.390) 4.518 5.771 ( 0.411 -9.786 -2.765) 10.177 5.890 ( 0.673 -2.431 0.410) 2.556 5.900 ( 0.622 -5.456 -0.855) 5.558 6.295 ( 2.836 2.699 2.140) 4.462 6.365 ( -3.246 0.414 -4.477) 5.545 6.436 ( 2.179 0.660 -0.067) 2.278 6.466 ( -2.146 0.960 -2.971) 3.788 6.820 ( -3.856 -0.047 2.062) 4.373 6.843 ( 3.643 -0.052 0.018) 3.643 6.868 ( -0.630 0.310 2.685) 2.775 6.928 ( 2.995 0.777 1.322) 3.365 6.947 ( -1.017 -1.901 -2.369) 3.203 6.982 ( -0.255 -1.116 -1.621) 1.985 7.035 ( -2.620 -1.676 1.940) 3.666 7.085 ( 0.516 -2.895 -2.333) 3.753 7.676 ( 0.467 3.496 4.333) 5.587 7.740 ( 0.833 4.320 -1.795) 4.752 7.888 ( 2.168 -5.167 3.801) 6.771 7.955 ( -1.392 -5.229 -2.615) 6.010 8.725 ( 1.039 3.714 -0.669) 3.914 8.734 ( -0.719 3.561 -1.461) 3.916 8.938 ( 0.027 -0.459 1.495) 1.564 8.955 ( -0.525 -1.128 -0.270) 1.273 9.116 ( -1.463 1.158 1.027) 2.129 9.128 ( 1.566 0.791 -0.242) 1.771 9.215 ( -1.204 -1.230 1.936) 2.590 9.240 ( 0.800 -1.874 -0.314) 2.061 9.443 ( -0.898 0.558 2.381) 2.605 9.467 ( 0.218 0.280 0.285) 0.455 9.485 ( 4.918 -1.091 1.885) 5.379 9.490 ( -2.229 -0.560 0.861) 2.454 9.520 ( -3.823 0.713 -3.305) 5.103 9.554 ( -2.006 -1.559 -3.488) 4.315 9.733 ( 0.927 -3.795 0.048) 3.906 9.742 ( 1.693 -4.089 -0.757) 4.490 9.943 ( 4.502 1.128 -0.367) 4.655 9.949 ( -2.006 1.288 -0.892) 2.545 10.136 ( 1.411 0.153 0.653) 1.562 10.152 ( -2.537 -0.932 -0.925) 2.856 10.550 ( -1.540 3.168 1.960) 4.031 10.581 ( 1.034 3.989 -0.989) 4.237 10.665 ( -1.519 -1.609 1.334) 2.584 10.684 ( 1.500 -0.905 -0.498) 1.821 11.525 ( -0.419 1.051 1.761) 2.094 11.562 ( -0.103 0.190 -1.767) 1.780 11.615 ( 0.690 -1.632 0.928) 2.000 11.631 ( -0.659 -1.199 -0.514) 1.461 11.932 ( -0.404 1.008 0.530) 1.208 11.950 ( 0.085 0.801 -1.163) 1.415 11.990 ( -0.055 -0.378 0.420) 0.568 12.006 ( 0.354 -0.631 -1.006) 1.240 12.213 ( -1.700 -0.645 1.982) 2.689 12.253 ( 0.926 -2.220 -1.672) 2.930 12.346 ( 1.083 -2.736 1.187) 3.173 12.368 ( 0.315 -3.521 -0.966) 3.665 12.561 ( 0.286 1.222 0.944) 1.571 12.591 ( -1.253 0.760 -1.848) 2.358 12.645 ( 2.978 -0.369 0.485) 3.040 12.658 ( -2.564 -0.879 -0.736) 2.809 13.299 ( -1.097 6.000 -0.011) 6.099 13.301 ( 1.277 6.205 -0.189) 6.337 13.438 ( -0.877 2.417 0.171) 2.577 13.442 ( 0.611 2.401 -0.220) 2.487 13.944 ( -3.384 2.284 2.036) 4.562 13.967 ( 3.840 2.534 0.960) 4.699 13.991 ( 4.152 4.457 -0.078) 6.092 14.036 ( -4.791 1.103 -2.958) 5.738 14.151 ( 2.346 2.868 1.993) 4.207 14.200 ( -3.240 3.172 -2.711) 5.282 14.312 ( 0.022 -1.370 1.576) 2.088 14.345 ( 1.128 -1.786 -1.619) 2.662 14.964 ( -0.680 -2.098 1.077) 2.454 14.995 ( 1.312 -1.727 -1.856) 2.855 15.061 ( -4.158 -4.401 1.300) 6.193 15.087 ( 2.857 -3.777 -1.154) 4.875 15.420 ( -3.184 0.795 0.157) 3.286 15.429 ( 3.432 0.587 -0.735) 3.558 15.496 ( 1.320 -0.799 0.710) 1.698 15.510 ( -1.368 -0.974 -0.681) 1.812 15.794 ( 0.327 0.453 0.774) 0.955 15.806 ( 1.115 0.685 -0.470) 1.391 15.906 ( 6.102 -1.341 1.569) 6.442 15.921 ( -6.254 -1.469 0.154) 6.426 16.275 ( 1.774 0.693 1.215) 2.259 16.297 ( -2.766 0.400 -0.698) 2.880 16.333 ( -1.665 -0.140 1.545) 2.276 16.368 ( 2.277 -0.967 -1.502) 2.894 17.163 ( 0.324 0.775 0.438) 0.947 17.178 ( -0.737 0.162 -1.080) 1.317 17.215 ( -0.918 0.070 0.604) 1.101 17.228 ( 1.497 -0.513 -0.628) 1.702 19.929 ( 2.729 0.227 0.259) 2.751 19.938 ( -1.014 0.256 -0.558) 1.186 20.020 ( 2.961 -0.406 0.493) 3.029 20.029 ( -3.181 -0.493 -0.341) 3.237 20.233 ( -3.252 0.678 2.497) 4.156 20.252 ( -0.443 -0.057 0.933) 1.034 20.497 ( -0.154 0.514 1.888) 1.963 20.536 ( 1.670 -1.036 -1.496) 2.470 22.083 ( -1.230 2.791 0.600) 3.109 22.097 ( 1.479 2.699 -0.779) 3.175 22.229 ( 0.131 -3.302 0.912) 3.428 22.242 ( 0.275 -3.313 -0.323) 3.340 22.533 ( 1.503 0.971 0.510) 1.860 22.558 ( -1.412 0.060 -1.871) 2.344 22.729 ( -0.571 -0.894 0.965) 1.434 22.743 ( 0.051 -1.328 -0.336) 1.370 27.422 ( 1.584 4.573 0.873) 4.917 27.439 ( -2.059 5.350 -0.848) 5.795 27.688 ( 12.484 -5.226 1.981) 13.678 27.726 ( -13.598 -5.527 -1.856) 14.795 28.034 ( -3.693 5.243 0.436) 6.428 28.047 ( 4.070 4.522 -0.908) 6.152 28.397 ( 5.393 -8.977 2.750) 10.828 28.415 ( -3.969 -9.214 1.124) 10.095 30.383 ( 1.800 3.570 0.993) 4.120 30.414 ( -2.829 3.032 -2.035) 4.619 30.545 ( -1.249 -0.961 -0.212) 1.590 30.548 ( 1.447 -0.839 -0.441) 1.729 30.915 ( 2.668 0.895 2.971) 4.092 30.939 ( 0.512 -0.140 0.850) 1.002 30.978 ( -0.010 1.975 -0.075) 1.977 30.998 ( -3.814 0.997 -2.188) 4.509 31.226 ( 1.568 -2.634 2.174) 3.758 31.251 ( 0.001 -3.570 -0.128) 3.572 31.452 ( -2.569 4.680 5.538) 7.692 31.493 ( 2.158 2.479 1.300) 3.535 31.900 ( -0.593 6.939 3.664) 7.869 31.927 ( 0.718 7.865 1.424) 8.025 32.363 ( 0.109 -5.863 7.665) 9.651 32.397 ( 1.023 -5.068 4.856) 7.093 32.699 ( -0.201 0.387 -1.655) 1.711 32.715 ( -2.895 -0.183 -3.191) 4.312 33.075 ( 1.546 -0.264 -0.196) 1.581 33.085 ( 0.552 -0.303 -1.183) 1.340 33.202 ( 4.828 0.095 3.595) 6.020 33.230 ( -4.974 -1.097 1.019) 5.194 33.347 ( 0.173 0.395 1.405) 1.470 33.357 ( -1.379 -0.122 0.507) 1.474 34.586 ( 0.993 0.380 6.046) 6.139 34.609 ( 1.477 -0.602 5.294) 5.529 34.729 ( 0.017 0.425 -6.888) 6.901 34.752 ( 0.503 -0.517 -6.870) 6.908 35.318 ( 0.229 0.791 -0.770) 1.127 35.346 ( 1.684 0.577 -2.442) 3.021 35.418 ( 0.529 0.123 -2.131) 2.199 35.449 ( 2.357 0.389 -6.916) 7.317 35.575 ( 4.320 -0.778 -1.248) 4.564 35.588 ( 1.248 -1.931 2.821) 3.639 35.657 ( -4.762 0.610 -4.634) 6.673 35.697 ( -4.914 -0.986 -8.419) 9.798 36.820 ( -0.986 4.210 1.675) 4.637 36.833 ( 0.178 4.428 0.511) 4.461 37.107 ( -20.193 -3.185 2.907) 20.648 37.156 ( 19.250 -4.414 -1.930) 19.844 ======================= Grid point 98 (53/63) ======================= q-point: (-0.38 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -6.355 2.136 1.531) 6.877 1.157 ( -3.280 2.913 0.185) 4.391 1.185 ( -0.697 -0.697 -0.464) 1.090 1.222 ( -0.156 -0.349 1.154) 1.215 1.467 ( -8.103 2.125 1.397) 8.493 1.562 ( -4.842 3.043 6.323) 8.525 1.614 ( -0.204 2.144 0.366) 2.185 1.665 ( 0.487 -0.556 2.160) 2.283 1.713 ( -3.208 -1.695 -1.895) 4.093 1.783 ( -0.985 3.067 -0.305) 3.235 2.015 ( -7.762 -2.148 -8.306) 11.570 2.098 ( -9.071 1.814 -1.230) 9.332 2.173 ( -9.036 -3.107 -4.231) 10.450 2.230 ( 0.077 -2.956 0.409) 2.986 2.251 ( 3.825 -2.511 4.122) 6.159 2.311 ( -1.008 -2.768 0.993) 3.109 2.498 ( -4.249 1.288 4.364) 6.225 2.566 ( -0.272 -4.627 -0.467) 4.659 2.575 ( -3.426 3.731 0.902) 5.145 2.682 ( -0.612 1.291 3.205) 3.509 2.764 ( 0.412 2.824 4.693) 5.492 2.802 ( -2.554 -2.734 -0.727) 3.812 2.916 ( -9.180 -1.118 2.726) 9.641 3.006 ( -6.046 -1.164 1.550) 6.349 3.040 ( 4.082 5.197 0.974) 6.680 3.133 ( -5.636 -0.422 -1.435) 5.831 3.207 ( 8.625 2.517 -2.355) 9.288 3.262 ( -0.063 -2.925 3.930) 4.900 3.339 ( -12.372 0.452 -0.591) 12.394 3.374 ( -13.565 3.501 3.728) 14.497 3.501 ( 1.038 4.950 -2.951) 5.856 3.576 ( 2.675 -4.192 0.582) 5.006 3.637 ( -5.904 0.239 -3.658) 6.950 3.786 ( -5.511 4.040 -3.660) 7.751 3.794 ( -2.042 -1.294 -3.675) 4.399 3.856 ( 3.843 7.496 0.383) 8.432 3.949 ( 2.421 3.804 -3.735) 5.855 3.996 ( -3.501 2.716 3.140) 5.431 4.184 ( -3.993 -1.421 -0.026) 4.238 4.217 ( -6.179 -0.279 3.126) 6.931 4.267 ( 0.777 -2.312 -1.958) 3.128 4.317 ( 0.218 -3.569 -0.587) 3.624 4.339 ( -3.440 1.293 0.283) 3.686 4.428 ( 7.089 0.337 1.266) 7.209 4.613 ( 2.263 -3.561 1.591) 4.510 4.649 ( 2.064 2.767 -3.434) 4.869 4.657 ( 5.248 -5.064 2.300) 7.647 4.714 ( 2.429 2.248 1.598) 3.675 4.747 ( 1.802 3.707 -0.443) 4.145 4.879 ( -0.541 2.092 -2.302) 3.157 4.921 ( 4.400 3.369 0.604) 5.574 5.039 ( 7.897 2.754 -1.546) 8.505 5.081 ( 2.706 -1.361 -0.607) 3.089 5.131 ( -0.331 -7.954 2.033) 8.216 5.285 ( 3.824 3.406 4.497) 6.815 5.353 ( 3.486 1.818 -3.985) 5.598 5.410 ( -2.620 -0.026 1.916) 3.246 5.476 ( -1.106 -0.959 -0.131) 1.470 5.619 ( -2.801 4.886 0.368) 5.643 5.654 ( 1.765 2.320 -1.787) 3.419 5.729 ( 1.769 -7.622 -2.541) 8.226 5.773 ( 0.513 -7.025 -0.864) 7.096 5.866 ( -2.174 -4.767 -2.162) 5.667 5.930 ( 3.005 -4.235 -0.036) 5.193 6.249 ( -3.656 2.457 -1.702) 4.722 6.359 ( -4.486 2.882 0.696) 5.377 6.390 ( 0.191 -2.634 1.390) 2.984 6.433 ( -3.299 -0.058 1.732) 3.726 6.709 ( -5.433 2.116 2.429) 6.317 6.789 ( -4.300 -0.731 1.319) 4.557 6.899 ( -1.418 2.489 -2.263) 3.651 6.965 ( -0.290 -0.578 -1.238) 1.396 6.968 ( 1.028 -0.376 -1.154) 1.591 6.991 ( 2.127 0.083 -0.768) 2.263 7.078 ( 2.608 -3.632 -0.664) 4.521 7.113 ( 4.688 -3.200 3.658) 6.753 7.759 ( 6.887 3.825 -2.421) 8.241 7.795 ( 8.285 4.058 0.135) 9.226 7.967 ( 8.154 -4.243 -3.647) 9.889 8.037 ( 9.241 -6.849 2.419) 11.754 8.702 ( -1.460 3.939 -0.583) 4.241 8.736 ( 0.471 2.822 0.348) 2.882 8.939 ( -0.738 0.055 -0.444) 0.863 8.960 ( 0.445 -0.948 1.233) 1.617 9.058 ( -4.050 2.229 0.305) 4.633 9.130 ( -1.884 -0.491 -0.068) 1.948 9.197 ( -3.514 -0.643 0.896) 3.683 9.232 ( -1.591 -2.658 -1.145) 3.302 9.352 ( -5.317 0.259 0.133) 5.325 9.409 ( -2.488 -1.791 0.521) 3.109 9.480 ( -1.993 -0.506 1.990) 2.861 9.522 ( -1.680 -0.406 1.865) 2.543 9.620 ( 9.860 1.234 -2.358) 10.213 9.671 ( 7.418 -2.314 0.122) 7.771 9.719 ( 4.293 -1.451 1.708) 4.843 9.812 ( 4.226 -4.886 -2.481) 6.920 9.879 ( 0.736 4.114 -0.925) 4.280 10.020 ( 6.404 -1.672 -0.980) 6.691 10.160 ( 3.271 2.068 0.092) 3.871 10.229 ( 6.380 -1.853 0.742) 6.685 10.555 ( -0.103 2.716 1.380) 3.048 10.598 ( 2.056 3.073 -0.939) 3.814 10.667 ( 1.087 -1.638 1.076) 2.241 10.726 ( 3.669 -1.330 -1.085) 4.051 11.502 ( -4.148 -0.100 0.289) 4.159 11.521 ( -4.007 0.544 -0.018) 4.044 11.558 ( -6.080 -0.938 -0.247) 6.157 11.589 ( -4.700 -0.829 0.774) 4.835 11.931 ( -1.061 0.556 0.757) 1.417 11.946 ( 0.511 1.928 0.032) 1.995 12.006 ( 1.108 1.176 -0.191) 1.627 12.024 ( 2.589 -0.932 -0.282) 2.766 12.201 ( -2.328 -1.201 2.258) 3.458 12.228 ( -1.794 -2.497 -1.383) 3.371 12.310 ( -3.171 -1.929 -0.767) 3.790 12.320 ( -3.540 -2.259 -1.373) 4.418 12.540 ( -1.121 1.499 1.152) 2.198 12.608 ( 0.607 3.365 0.273) 3.430 12.656 ( 2.689 -2.886 -0.200) 3.950 12.725 ( 4.136 -2.014 -0.001) 4.600 13.228 ( -5.445 7.045 0.094) 8.905 13.256 ( -4.607 6.373 -0.244) 7.867 13.461 ( 2.466 -1.292 0.535) 2.835 13.492 ( 2.608 -1.915 -0.275) 3.247 13.851 ( -8.035 4.540 -0.236) 9.232 13.894 ( -5.832 4.510 -0.556) 7.394 13.978 ( -0.451 -1.020 -1.081) 1.553 14.052 ( -0.103 -0.749 1.918) 2.061 14.160 ( 1.711 5.730 -0.759) 6.028 14.240 ( 4.588 6.806 2.196) 8.496 14.366 ( 3.488 0.707 -1.068) 3.716 14.399 ( 5.715 -2.040 -0.317) 6.077 14.902 ( -5.784 0.052 1.450) 5.964 14.999 ( 0.996 0.970 -2.020) 2.452 15.067 ( 0.554 -5.775 2.501) 6.317 15.186 ( 7.860 -4.928 -0.581) 9.295 15.330 ( -6.012 0.364 0.172) 6.025 15.396 ( -7.428 0.198 0.165) 7.432 15.443 ( -2.498 -2.344 -0.732) 3.503 15.504 ( -4.719 -1.707 -0.331) 5.030 15.693 ( -7.434 2.195 -1.188) 7.841 15.777 ( -4.069 -1.643 -1.014) 4.504 15.849 ( 0.259 3.169 0.444) 3.210 16.010 ( 1.958 -3.588 -0.688) 4.145 16.270 ( -0.302 1.124 0.028) 1.164 16.300 ( -1.291 -0.136 0.249) 1.322 16.380 ( 2.553 -0.455 0.548) 2.650 16.402 ( 6.397 -1.614 -0.599) 6.624 17.156 ( -0.606 0.484 -0.550) 0.951 17.170 ( -0.639 0.069 1.155) 1.322 17.207 ( -0.539 0.611 0.132) 0.825 17.240 ( 1.033 -0.666 -0.869) 1.505 19.789 ( -8.775 1.162 -0.528) 8.867 19.863 ( -6.440 -1.903 -1.023) 6.793 20.018 ( -3.631 1.322 -0.317) 3.877 20.075 ( -2.424 -1.081 0.213) 2.663 20.269 ( 5.553 0.871 2.959) 6.352 20.296 ( 5.657 -0.167 0.756) 5.710 20.579 ( 6.640 -0.141 0.698) 6.678 20.591 ( 6.717 -0.572 -2.566) 7.213 21.965 ( -11.438 2.685 -0.066) 11.749 22.003 ( -9.959 2.257 -1.041) 10.264 22.124 ( -9.511 -2.107 0.559) 9.758 22.126 ( -9.963 -1.952 -0.063) 10.153 22.632 ( 9.570 0.493 -1.819) 9.754 22.670 ( 9.609 0.061 1.260) 9.691 22.812 ( 7.732 -1.994 0.832) 8.028 22.825 ( 8.273 -2.202 0.175) 8.563 27.159 ( -19.636 2.984 0.197) 19.863 27.296 ( -19.148 2.573 0.982) 19.345 27.327 ( -21.956 1.186 -1.315) 22.027 27.811 ( -5.361 -16.040 0.466) 16.918 28.238 ( 20.696 6.165 1.028) 21.619 28.293 ( 20.104 4.890 -1.262) 20.729 28.522 ( 17.761 -6.150 -1.101) 18.828 28.608 ( 15.053 -7.739 -0.563) 16.935 30.286 ( -9.789 4.391 -0.653) 10.749 30.371 ( -5.105 4.316 2.203) 7.038 30.496 ( -4.435 -1.597 0.388) 4.729 30.537 ( -1.952 -1.976 -0.228) 2.787 30.791 ( -9.890 5.521 -2.381) 11.574 30.842 ( -6.787 1.979 1.516) 7.230 31.026 ( 2.993 -4.069 -0.679) 5.097 31.053 ( -6.211 -3.842 0.981) 7.369 31.186 ( 3.890 2.080 -0.463) 4.436 31.339 ( 6.358 -4.551 -0.826) 7.862 31.492 ( 5.357 5.765 -0.380) 7.879 31.614 ( 8.217 1.216 -1.016) 8.368 31.820 ( -4.921 6.674 0.019) 8.292 32.037 ( 3.580 4.824 -1.469) 6.184 32.211 ( -6.354 3.869 -2.386) 7.813 32.535 ( -3.312 -3.028 -3.848) 5.911 32.670 ( -5.313 0.015 2.770) 5.992 32.718 ( 7.199 -2.373 4.561) 8.846 32.982 ( -10.211 -0.330 -1.526) 10.330 32.992 ( -6.905 -0.483 -2.512) 7.364 33.147 ( 0.918 3.734 -0.725) 3.913 33.350 ( 10.868 -4.880 0.695) 11.934 33.468 ( 9.552 0.805 -0.329) 9.591 33.498 ( 10.549 -0.679 0.250) 10.574 34.614 ( -1.765 0.422 -7.172) 7.398 34.643 ( -0.863 -0.976 -6.147) 6.283 34.677 ( -0.372 0.574 2.643) 2.730 34.695 ( -0.151 -0.359 5.149) 5.163 35.305 ( -1.219 1.074 0.187) 1.635 35.327 ( 0.151 0.257 -3.405) 3.418 35.378 ( -1.988 0.520 -0.319) 2.080 35.418 ( 0.097 -1.150 -1.157) 1.634 35.518 ( -3.779 0.681 -3.288) 5.056 35.578 ( -2.559 -1.717 -2.965) 4.276 35.679 ( 1.739 0.036 7.040) 7.251 35.705 ( 4.830 -1.070 9.904) 11.071 36.495 ( -19.032 5.017 0.758) 19.697 36.754 ( -18.216 -6.421 5.157) 19.991 37.213 ( 19.373 7.943 -0.525) 20.944 37.523 ( 23.572 -5.666 -1.940) 24.321 ======================= Grid point 99 (54/63) ======================= q-point: (-0.25 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.994 ( -8.813 4.366 7.208) 12.194 1.055 ( -10.256 6.877 2.328) 12.566 1.176 ( -0.411 -0.238 0.533) 0.714 1.216 ( -3.527 -1.168 1.905) 4.175 1.288 ( -9.074 1.901 -1.189) 9.347 1.443 ( -9.996 3.836 6.670) 12.614 1.584 ( -6.348 -1.297 1.685) 6.694 1.712 ( -3.523 0.558 1.320) 3.804 1.749 ( 1.513 -1.136 4.872) 5.226 1.808 ( 0.711 -0.284 8.015) 8.052 1.855 ( -15.890 7.307 3.361) 17.810 1.915 ( 2.729 -2.461 0.254) 3.684 2.005 ( -7.779 -3.840 2.271) 8.968 2.210 ( -1.768 2.072 -6.228) 6.798 2.324 ( 1.449 2.246 -0.810) 2.793 2.344 ( -0.855 2.352 5.452) 5.999 2.429 ( 2.002 0.360 -2.250) 3.033 2.533 ( -0.032 2.383 -0.314) 2.404 2.577 ( -10.501 -7.551 -0.959) 12.969 2.636 ( -3.725 -2.828 4.388) 6.413 2.708 ( 1.532 -6.136 -1.434) 6.485 2.829 ( -3.487 -2.307 2.272) 4.758 2.840 ( -2.977 3.011 2.509) 4.922 2.923 ( -5.246 0.452 -0.104) 5.267 3.081 ( -3.941 0.929 3.031) 5.058 3.084 ( 1.856 6.417 0.764) 6.724 3.145 ( -4.383 2.248 2.764) 5.648 3.243 ( -9.911 3.234 2.423) 10.703 3.308 ( -6.819 -2.160 2.214) 7.488 3.338 ( 2.543 2.556 3.946) 5.345 3.385 ( -5.410 -0.366 2.918) 6.158 3.519 ( -6.567 2.989 2.386) 7.599 3.565 ( -5.580 -1.605 -2.971) 6.522 3.576 ( -3.868 -4.952 -6.117) 8.770 3.771 ( 1.776 1.530 -5.004) 5.526 3.826 ( -8.209 -2.093 -2.040) 8.714 3.893 ( 3.297 2.986 -5.855) 7.353 4.026 ( -0.284 2.073 1.221) 2.423 4.082 ( -3.983 2.062 -0.644) 4.531 4.183 ( -2.456 -1.886 2.399) 3.918 4.205 ( -3.707 4.554 2.502) 6.383 4.319 ( 5.437 0.213 -1.510) 5.647 4.393 ( 3.556 1.255 0.793) 3.853 4.533 ( 2.868 0.905 1.276) 3.267 4.608 ( 1.420 -0.609 -4.806) 5.048 4.668 ( 2.686 -1.573 -1.187) 3.331 4.735 ( 1.314 -1.065 0.884) 1.908 4.800 ( 3.661 -1.584 -2.026) 4.474 4.837 ( 2.051 0.765 2.399) 3.248 4.872 ( 5.000 -3.652 -2.705) 6.757 5.018 ( 4.718 2.465 2.278) 5.790 5.028 ( 1.539 -2.009 -5.012) 5.615 5.158 ( -1.395 -1.810 3.285) 4.001 5.204 ( 8.395 2.700 -5.865) 10.591 5.288 ( -2.225 5.081 -2.276) 5.996 5.389 ( 0.805 3.571 -3.214) 4.871 5.412 ( -0.270 -0.841 -2.731) 2.871 5.430 ( 1.709 -1.938 2.369) 3.506 5.595 ( 1.782 3.052 -0.502) 3.570 5.654 ( 0.271 -0.736 -0.984) 1.258 5.701 ( -4.324 -4.995 -3.125) 7.308 5.741 ( -1.564 -10.076 -0.483) 10.208 5.807 ( 1.344 -0.076 -2.242) 2.615 5.976 ( 1.645 -5.026 1.090) 5.399 6.217 ( -1.190 3.476 2.647) 4.528 6.291 ( -3.543 1.446 1.917) 4.280 6.349 ( -3.490 0.768 1.284) 3.798 6.472 ( 2.569 -4.240 2.337) 5.481 6.701 ( -2.173 2.043 4.205) 5.155 6.773 ( -2.200 0.614 3.938) 4.552 6.809 ( -5.091 0.467 -4.215) 6.625 6.887 ( -4.448 -1.917 -1.608) 5.104 6.968 ( 1.621 2.927 -1.043) 3.505 7.022 ( 4.688 3.490 -1.994) 6.175 7.081 ( 0.448 -2.583 -1.046) 2.822 7.234 ( 1.795 -4.933 4.497) 6.912 7.906 ( 13.828 4.501 -2.431) 14.744 7.993 ( 14.022 3.279 -0.540) 14.411 8.146 ( 16.162 -4.839 -2.240) 17.019 8.240 ( 11.152 -7.647 1.051) 13.563 8.667 ( -2.147 4.331 -0.248) 4.840 8.749 ( 0.437 1.457 0.451) 1.587 8.917 ( -1.066 1.211 -0.447) 1.674 8.976 ( -0.354 -1.963 0.528) 2.064 9.015 ( -1.592 2.637 1.233) 3.318 9.078 ( -3.820 -0.754 -0.142) 3.896 9.118 ( -6.126 -1.117 0.531) 6.249 9.175 ( -2.569 -3.122 -1.027) 4.172 9.296 ( -3.540 0.706 1.596) 3.947 9.355 ( -6.821 -2.862 0.343) 7.405 9.419 ( -3.183 -0.370 -2.211) 3.893 9.457 ( -7.246 -1.016 -0.186) 7.319 9.689 ( 1.388 0.610 1.364) 2.040 9.754 ( 4.779 -2.803 -0.493) 5.562 9.861 ( 8.395 0.706 0.710) 8.455 9.956 ( 12.362 -2.365 0.812) 12.612 10.018 ( 12.641 3.195 -0.532) 13.049 10.185 ( 12.385 -2.397 0.567) 12.628 10.216 ( 3.504 4.242 -1.294) 5.652 10.333 ( 5.533 -2.382 -0.776) 6.074 10.584 ( 2.351 1.782 0.185) 2.956 10.629 ( 3.141 1.390 -1.004) 3.579 10.724 ( 2.333 -0.229 1.628) 2.854 10.791 ( 6.451 -3.663 -1.394) 7.548 11.369 ( -11.380 -0.979 -0.681) 11.443 11.404 ( -7.724 -3.379 -0.579) 8.451 11.432 ( -8.996 2.247 0.778) 9.305 11.511 ( -6.068 -0.938 1.262) 6.268 11.916 ( -2.151 1.975 1.599) 3.329 11.936 ( -1.884 3.256 -0.446) 3.788 12.042 ( 3.860 1.256 -0.133) 4.062 12.069 ( 2.545 -0.005 0.078) 2.546 12.153 ( -3.184 -0.144 -1.303) 3.443 12.201 ( -2.274 -1.968 2.217) 3.736 12.238 ( -1.929 0.281 -1.362) 2.378 12.296 ( 1.492 0.045 -0.672) 1.637 12.549 ( -1.255 0.957 1.998) 2.547 12.592 ( -1.620 5.035 -0.830) 5.354 12.710 ( 2.009 -4.688 1.229) 5.247 12.750 ( -0.161 -1.740 -1.221) 2.131 13.145 ( -4.378 5.623 0.338) 7.134 13.175 ( -3.764 4.766 -0.488) 6.092 13.449 ( -7.972 -6.887 0.005) 10.535 13.475 ( -3.057 -8.939 -0.552) 9.463 13.789 ( 3.655 8.851 -0.402) 9.585 13.843 ( 2.440 7.551 -0.643) 7.961 13.997 ( 3.623 -3.564 0.406) 5.098 14.067 ( 1.051 -3.078 0.455) 3.284 14.197 ( 1.222 7.875 0.964) 8.028 14.331 ( 2.903 6.763 0.691) 7.392 14.403 ( 2.207 2.487 -0.937) 3.454 14.462 ( 0.805 -0.281 0.388) 0.936 14.797 ( -10.901 2.566 3.006) 11.595 14.958 ( -2.091 7.048 -4.062) 8.400 15.100 ( -1.879 -8.657 2.436) 9.187 15.172 ( -11.426 -1.857 0.255) 11.579 15.238 ( -11.155 -0.045 0.502) 11.166 15.302 ( -0.329 -0.715 -0.121) 0.796 15.349 ( -8.299 0.174 -1.606) 8.455 15.407 ( 5.539 -3.741 -2.334) 7.080 15.634 ( 0.551 0.993 0.330) 1.182 15.685 ( -2.580 -1.434 -0.799) 3.059 15.899 ( 3.968 -0.248 -1.023) 4.105 15.941 ( -4.715 -1.421 -5.824) 7.627 16.260 ( -1.863 1.662 0.453) 2.537 16.274 ( -1.603 0.440 -0.246) 1.680 16.367 ( -1.808 0.508 -0.747) 2.021 16.507 ( 3.893 -4.446 -4.417) 7.377 17.145 ( 0.047 0.678 -0.407) 0.792 17.170 ( -0.740 -0.229 0.796) 1.111 17.202 ( -0.393 0.843 0.730) 1.183 17.242 ( 0.314 -0.874 -0.780) 1.213 19.655 ( -5.867 1.045 0.021) 5.959 19.751 ( -4.154 -2.354 -2.436) 5.360 19.911 ( -6.453 0.803 -0.181) 6.506 19.966 ( -7.496 -1.290 -1.705) 7.795 20.430 ( 7.980 0.625 0.076) 8.004 20.435 ( 7.903 0.543 2.537) 8.318 20.682 ( 7.269 -0.002 -2.473) 7.678 20.705 ( 6.551 -0.972 -0.098) 6.624 21.758 ( -11.247 2.106 1.196) 11.505 21.795 ( -11.289 1.622 -0.396) 11.411 21.953 ( -10.045 -0.547 0.295) 10.064 21.969 ( -8.997 -1.127 0.391) 9.075 22.781 ( 10.145 0.034 -2.669) 10.491 22.839 ( 7.576 -2.036 0.868) 7.893 22.972 ( 9.653 -2.313 0.578) 9.944 23.002 ( 9.675 -1.619 2.150) 10.042 26.841 ( -17.073 1.606 0.623) 17.160 26.927 ( -20.912 -1.638 0.728) 20.989 26.968 ( -19.771 5.415 -0.857) 20.517 27.505 ( -23.073 -24.382 -10.791) 35.260 28.610 ( 21.461 5.687 -0.165) 22.202 28.685 ( 25.306 7.163 -0.709) 26.310 28.880 ( 20.668 -3.434 0.874) 20.969 28.897 ( 19.141 -6.166 -0.334) 20.112 30.069 ( -14.966 6.045 0.376) 16.145 30.299 ( -6.257 5.792 3.219) 9.114 30.371 ( -10.048 0.609 -0.812) 10.099 30.508 ( -1.810 -1.173 1.356) 2.548 30.614 ( -6.464 5.999 -2.239) 9.099 30.746 ( -6.157 3.453 0.358) 7.068 30.853 ( -12.228 -2.463 -2.280) 12.680 31.005 ( -2.500 -7.603 -3.987) 8.942 31.294 ( 5.521 2.392 -0.145) 6.019 31.438 ( 4.504 -4.490 0.759) 6.405 31.607 ( 10.969 7.037 -4.501) 13.788 31.719 ( 5.459 -0.930 -2.075) 5.914 31.799 ( 4.098 6.037 0.168) 7.299 31.994 ( 1.614 6.021 -10.421) 12.144 32.051 ( -3.650 8.162 -12.104) 15.048 32.387 ( -6.487 -2.216 -4.381) 8.135 32.575 ( -9.655 4.718 1.492) 10.849 32.702 ( -13.365 -1.166 1.005) 13.453 32.753 ( -11.898 1.940 -4.203) 12.766 32.954 ( 9.701 -3.665 -10.009) 14.412 33.220 ( 5.033 3.619 0.925) 6.268 33.472 ( 9.550 -6.426 -13.562) 17.789 33.596 ( 8.178 1.387 -5.816) 10.130 33.648 ( 8.155 -1.212 -3.136) 8.820 34.526 ( -0.300 0.171 -1.211) 1.259 34.531 ( -0.692 -0.023 -3.316) 3.388 34.714 ( -2.083 0.578 4.534) 5.023 34.746 ( -1.584 -0.742 5.314) 5.595 35.275 ( -1.908 1.397 0.011) 2.365 35.293 ( -1.861 2.110 0.652) 2.889 35.353 ( -2.421 -0.304 2.182) 3.273 35.440 ( -0.743 -2.328 4.544) 5.160 35.454 ( -2.256 0.039 1.952) 2.984 35.505 ( -2.839 -3.179 -1.425) 4.494 35.830 ( 2.406 2.726 9.459) 10.134 35.918 ( 2.481 -1.609 4.287) 5.208 36.286 ( -10.914 6.903 13.203) 18.469 36.734 ( 0.930 -13.829 27.966) 31.212 37.498 ( 17.064 10.272 -4.723) 20.469 37.874 ( 20.894 -6.802 -4.357) 22.401 ======================= Grid point 100 (55/63) ======================= q-point: (-0.12 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.891 ( -12.666 11.450 10.145) 19.861 1.040 ( -3.425 9.880 8.494) 13.472 1.144 ( -2.030 -0.067 -0.533) 2.100 1.167 ( -2.747 2.060 2.850) 4.463 1.218 ( -1.640 2.950 5.300) 6.284 1.439 ( -2.836 8.686 7.728) 11.967 1.561 ( -9.060 3.729 10.394) 14.284 1.582 ( -6.486 2.570 7.601) 10.317 1.731 ( -4.234 0.872 0.765) 4.390 1.792 ( -1.104 -2.760 1.274) 3.234 1.851 ( -3.886 -2.332 -0.210) 4.537 1.988 ( 0.324 -1.481 5.714) 5.912 2.018 ( -0.390 1.256 -0.952) 1.623 2.124 ( 6.735 -2.181 0.580) 7.103 2.284 ( -11.341 -3.507 -0.142) 11.871 2.344 ( 4.816 -6.059 -2.184) 8.042 2.396 ( 1.082 -1.586 2.648) 3.270 2.464 ( 0.296 0.920 -5.695) 5.777 2.614 ( 1.281 1.962 10.367) 10.628 2.645 ( 0.943 -2.470 1.407) 2.995 2.743 ( -4.475 -3.237 0.871) 5.591 2.823 ( 0.228 -0.016 -0.748) 0.782 2.850 ( -0.592 -4.782 1.438) 5.028 2.906 ( 4.394 -3.299 3.367) 6.444 2.961 ( -6.914 -1.104 -4.038) 8.082 3.035 ( -10.492 7.893 3.555) 13.603 3.083 ( -2.071 3.951 -0.523) 4.491 3.181 ( -4.870 -3.046 -2.308) 6.191 3.203 ( 4.359 2.586 -1.704) 5.347 3.301 ( -10.166 -2.702 0.622) 10.537 3.351 ( -7.419 3.543 0.050) 8.222 3.427 ( -2.612 -1.083 3.308) 4.352 3.447 ( -5.567 1.728 -6.504) 8.734 3.496 ( -3.263 3.153 -0.335) 4.550 3.679 ( -2.759 3.493 3.171) 5.465 3.779 ( 1.471 1.471 2.405) 3.180 3.898 ( 0.638 -4.574 -2.477) 5.240 3.973 ( -3.529 -3.426 1.457) 5.130 4.078 ( 3.380 5.312 0.159) 6.299 4.170 ( -1.441 8.497 0.763) 8.653 4.249 ( -0.345 -1.504 9.033) 9.164 4.419 ( 5.925 2.282 -1.945) 6.641 4.465 ( 7.506 -0.944 -4.472) 8.788 4.539 ( -0.702 -1.618 -0.729) 1.909 4.608 ( -0.408 -2.822 -5.301) 6.020 4.660 ( 0.915 5.104 -2.703) 5.848 4.710 ( 1.540 -4.119 -6.879) 8.164 4.802 ( 3.503 7.081 -1.452) 8.032 4.862 ( -0.870 -1.838 -1.856) 2.753 4.909 ( 3.029 -0.370 -1.554) 3.425 4.998 ( -1.432 2.536 -3.876) 4.848 5.058 ( -5.863 2.380 1.560) 6.517 5.113 ( -0.489 7.169 -5.840) 9.260 5.186 ( -0.973 -5.224 4.543) 6.991 5.283 ( 0.591 1.805 -6.990) 7.243 5.328 ( 5.053 0.855 -2.626) 5.758 5.404 ( 0.622 -2.434 -8.622) 8.980 5.464 ( 1.439 -2.980 -0.997) 3.456 5.543 ( -3.303 1.785 -3.530) 5.153 5.628 ( -0.460 -2.807 0.582) 2.903 5.734 ( 3.409 -5.011 2.853) 6.698 5.780 ( 2.504 -12.064 2.990) 12.679 5.804 ( 1.770 0.115 1.320) 2.211 6.009 ( -0.219 -6.279 0.370) 6.294 6.225 ( -1.528 -1.025 4.647) 4.998 6.294 ( -1.485 -0.911 3.732) 4.119 6.380 ( 5.084 1.797 0.685) 5.435 6.527 ( 0.144 -4.927 -0.831) 4.999 6.671 ( -0.468 1.487 -2.617) 3.046 6.701 ( -3.573 1.683 3.048) 4.989 6.773 ( -5.256 -0.690 4.300) 6.826 6.815 ( -0.590 -3.748 -0.438) 3.820 7.028 ( 3.980 3.585 0.636) 5.394 7.061 ( 1.184 2.942 0.046) 3.171 7.159 ( 9.026 -3.227 0.391) 9.593 7.284 ( -2.216 -5.258 4.264) 7.123 8.149 ( 14.351 5.428 0.750) 15.362 8.229 ( 13.991 3.082 -1.934) 14.457 8.415 ( 14.573 -5.735 -0.276) 15.664 8.436 ( 10.381 -6.665 0.683) 12.355 8.633 ( -0.827 5.456 0.242) 5.524 8.767 ( 1.537 0.936 0.333) 1.830 8.896 ( -1.476 1.616 0.432) 2.231 8.932 ( -6.388 -0.105 -0.953) 6.459 8.999 ( -3.237 -0.894 0.683) 3.427 9.004 ( -6.018 -1.708 -0.695) 6.294 9.030 ( -0.779 -0.211 0.216) 0.835 9.115 ( -2.692 -1.528 -1.859) 3.611 9.206 ( -7.835 -1.250 0.040) 7.934 9.254 ( -4.942 -2.018 3.029) 6.138 9.311 ( -6.117 -0.610 -2.837) 6.770 9.345 ( -1.635 -1.523 -3.315) 3.998 9.738 ( -0.295 1.173 4.728) 4.880 9.832 ( 3.667 -2.876 0.524) 4.689 9.997 ( 6.803 1.158 -1.700) 7.107 10.117 ( 5.074 -2.738 -3.454) 6.721 10.220 ( 10.676 4.607 -1.028) 11.673 10.270 ( 4.337 5.445 1.460) 7.112 10.413 ( 10.852 -3.780 -0.129) 11.492 10.421 ( 6.980 -2.548 -0.155) 7.432 10.632 ( 2.779 2.153 0.056) 3.516 10.679 ( 3.850 2.114 -1.540) 4.654 10.777 ( 1.415 -0.643 2.170) 2.669 10.891 ( 5.364 -4.639 -1.659) 7.283 11.149 ( -11.358 0.985 -0.600) 11.416 11.218 ( -12.588 2.189 -0.044) 12.777 11.311 ( -4.840 -4.333 0.378) 6.508 11.404 ( -6.592 -3.284 -0.173) 7.367 11.896 ( -1.835 2.439 0.358) 3.073 11.903 ( -1.262 2.250 1.044) 2.783 12.072 ( -2.531 -1.965 -0.594) 3.259 12.095 ( -1.124 -2.688 -0.939) 3.061 12.140 ( 3.141 3.303 0.418) 4.577 12.188 ( 3.277 4.048 1.455) 5.408 12.249 ( 0.725 2.965 1.167) 3.268 12.318 ( 2.372 3.160 -1.193) 4.128 12.521 ( -2.600 4.070 -0.171) 4.833 12.550 ( -1.915 4.596 -1.219) 5.126 12.726 ( 0.045 -1.369 -0.097) 1.373 12.750 ( 0.571 -5.121 0.789) 5.212 13.086 ( -3.273 2.889 0.939) 4.465 13.122 ( -1.018 1.066 -1.390) 2.026 13.284 ( -8.708 -4.395 -0.578) 9.771 13.325 ( -11.635 -7.692 -1.205) 13.999 13.922 ( 9.824 7.094 0.012) 12.118 13.959 ( 9.952 6.707 -0.666) 12.020 14.083 ( 3.471 -2.690 1.036) 4.512 14.129 ( 6.829 -1.893 -0.551) 7.108 14.211 ( -0.807 5.531 1.696) 5.841 14.317 ( -3.297 4.743 -2.827) 6.432 14.410 ( -2.490 1.381 0.091) 2.849 14.469 ( 0.988 -2.176 2.012) 3.124 14.599 ( -14.634 6.258 2.907) 16.179 14.793 ( -9.008 11.892 -8.464) 17.153 14.949 ( -10.705 -3.791 -0.634) 11.374 14.975 ( -11.797 -2.184 -0.736) 12.020 15.063 ( -6.912 10.048 -4.124) 12.875 15.130 ( -13.012 1.108 -0.632) 13.074 15.341 ( 3.132 -2.311 3.757) 5.410 15.544 ( 10.006 -3.375 -2.077) 10.762 15.673 ( 2.372 -0.439 0.335) 2.436 15.703 ( 2.483 -1.816 0.949) 3.220 15.765 ( -3.230 2.884 -3.897) 5.826 15.934 ( 2.760 -3.710 -4.179) 6.233 16.220 ( -2.516 1.767 0.394) 3.100 16.240 ( -2.519 0.135 0.802) 2.647 16.312 ( -2.832 -0.034 -1.473) 3.193 16.379 ( -8.905 -1.913 -4.365) 10.100 17.148 ( 0.671 0.930 -0.240) 1.172 17.164 ( -0.505 0.634 0.119) 0.819 17.215 ( -0.134 0.056 1.684) 1.690 17.240 ( 0.543 -0.788 -0.275) 0.996 19.595 ( -2.376 -0.511 0.889) 2.588 19.658 ( -2.116 -1.329 -3.334) 4.166 19.825 ( -3.394 -1.582 0.055) 3.745 19.842 ( -3.394 -1.441 -0.442) 3.714 20.551 ( 5.684 0.777 0.074) 5.737 20.570 ( 3.958 0.108 1.896) 4.390 20.770 ( 5.701 0.317 -1.986) 6.045 20.785 ( 2.988 -0.414 -0.084) 3.018 21.628 ( -6.438 1.043 1.701) 6.740 21.667 ( -3.954 -0.513 1.623) 4.305 21.801 ( -6.969 -0.021 0.186) 6.971 21.836 ( -6.102 -1.344 -0.260) 6.254 22.895 ( 6.682 -0.844 -2.772) 7.283 22.930 ( 2.863 -3.774 -0.781) 4.801 23.152 ( 8.423 -0.191 1.390) 8.540 23.178 ( 6.956 -1.017 1.514) 7.191 26.603 ( -10.808 0.554 -0.069) 10.823 26.625 ( -12.991 0.606 -0.747) 13.027 26.673 ( -13.525 0.741 1.205) 13.599 26.855 ( -28.794 -9.498 -8.960) 31.616 28.985 ( 21.738 5.153 -0.083) 22.341 29.082 ( 20.105 4.933 0.544) 20.709 29.186 ( 11.961 -1.943 1.810) 12.253 29.237 ( 18.355 -4.305 -0.013) 18.853 29.794 ( -17.731 8.634 1.765) 19.800 30.134 ( -14.661 4.467 -2.146) 15.476 30.259 ( -1.862 13.951 -1.163) 14.123 30.500 ( -2.187 -0.796 1.085) 2.568 30.510 ( -2.696 1.297 -1.183) 3.217 30.580 ( -8.528 2.653 -4.445) 9.976 30.679 ( -5.039 -0.858 0.198) 5.116 30.854 ( -6.108 -4.006 -5.653) 9.237 31.339 ( 0.039 3.583 0.089) 3.584 31.516 ( 0.176 -4.005 6.439) 7.585 31.553 ( -3.643 22.306 -17.846) 28.798 31.835 ( 12.181 -0.257 -1.985) 12.344 31.842 ( 6.194 3.653 -1.067) 7.269 31.923 ( 7.950 2.881 -0.144) 8.457 32.055 ( 4.237 -2.963 -0.570) 5.202 32.226 ( -3.444 -3.230 -6.496) 8.031 32.398 ( -10.974 3.111 1.398) 11.492 32.457 ( -14.035 -0.539 -0.518) 14.055 32.481 ( -12.837 1.418 -3.547) 13.393 32.821 ( 1.428 -8.950 -29.656) 31.010 33.310 ( 2.514 0.854 2.949) 3.968 33.393 ( 1.520 -2.962 -7.594) 8.292 33.617 ( 3.774 1.812 -6.330) 7.589 33.694 ( 3.895 -1.619 -5.892) 7.247 34.573 ( 4.130 0.268 1.429) 4.378 34.582 ( 3.957 -0.120 3.857) 5.527 34.715 ( -2.939 1.308 2.771) 4.246 34.770 ( -2.269 -1.015 3.606) 4.380 35.253 ( -1.493 2.019 1.014) 2.708 35.269 ( -0.782 2.952 -0.550) 3.103 35.349 ( -1.238 -1.497 2.355) 3.053 35.436 ( -2.580 -2.885 -0.695) 3.932 35.476 ( -1.603 -0.085 6.560) 6.753 35.511 ( 0.433 -3.279 6.071) 6.914 35.841 ( -2.984 1.811 -4.181) 5.447 35.891 ( -1.277 -1.071 -4.964) 5.236 36.528 ( 1.775 12.876 31.682) 34.244 37.308 ( 12.555 -18.509 15.327) 27.114 37.746 ( 18.118 1.755 2.744) 18.409 38.113 ( 13.652 -8.900 -5.992) 17.363 ======================= Grid point 101 (56/63) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.079 ( -0.776 -7.606 2.160) 7.945 1.079 ( -0.776 7.606 2.160) 7.945 1.130 ( -0.302 -2.981 -1.789) 3.489 1.130 ( -0.302 2.981 -1.789) 3.489 1.459 ( -1.591 -6.739 6.404) 9.432 1.459 ( -1.591 6.739 6.404) 9.432 1.613 ( 0.143 -5.101 1.885) 5.441 1.613 ( 0.143 5.101 1.885) 5.441 1.758 ( -0.003 -0.936 -0.994) 1.365 1.758 ( -0.003 0.936 -0.994) 1.365 1.958 ( -0.115 -7.078 -1.123) 7.168 1.958 ( -0.115 7.078 -1.123) 7.168 2.128 ( 0.505 -7.340 9.349) 11.897 2.128 ( 0.505 7.340 9.349) 11.897 2.240 ( -1.366 -1.008 -0.218) 1.711 2.240 ( -1.366 1.008 -0.218) 1.711 2.495 ( 5.853 -11.160 3.899) 13.191 2.495 ( 5.853 11.160 3.899) 13.191 2.548 ( 2.488 -6.439 -0.396) 6.914 2.548 ( 2.488 6.439 -0.396) 6.914 2.766 ( -3.916 -2.644 4.629) 6.615 2.766 ( -3.916 2.644 4.629) 6.615 2.877 ( -0.660 -2.520 0.215) 2.613 2.877 ( -0.660 2.520 0.215) 2.613 2.971 ( -5.866 -5.728 1.902) 8.417 2.971 ( -5.866 5.728 1.902) 8.417 3.048 ( 2.959 -1.708 -4.024) 5.279 3.048 ( 2.959 1.708 -4.024) 5.279 3.189 ( -3.421 -4.199 -1.962) 5.761 3.189 ( -3.421 4.199 -1.962) 5.761 3.298 ( 2.448 -3.126 -8.673) 9.539 3.298 ( 2.448 3.126 -8.673) 9.539 3.475 ( -0.313 -1.067 1.219) 1.650 3.475 ( -0.313 1.067 1.219) 1.650 3.748 ( -1.181 -1.888 4.054) 4.625 3.748 ( -1.181 1.888 4.054) 4.625 3.965 ( 2.754 -3.409 6.200) 7.593 3.965 ( 2.754 3.409 6.200) 7.593 4.224 ( 0.047 -3.774 -4.140) 5.602 4.224 ( 0.047 3.774 -4.140) 5.602 4.406 ( 0.075 -4.874 1.261) 5.035 4.406 ( 0.075 4.874 1.261) 5.035 4.561 ( 0.711 -7.231 1.666) 7.454 4.561 ( 0.711 7.231 1.666) 7.454 4.588 ( 2.655 -3.652 1.272) 4.691 4.588 ( 2.655 3.652 1.272) 4.691 4.662 ( -5.975 -4.472 -4.013) 8.474 4.662 ( -5.975 4.472 -4.013) 8.474 4.930 ( 1.908 -5.100 -8.441) 10.045 4.930 ( 1.908 5.100 -8.441) 10.045 4.991 ( -1.460 -0.774 0.488) 1.723 4.991 ( -1.460 0.774 0.488) 1.723 5.121 ( -0.326 -3.416 1.074) 3.595 5.121 ( -0.326 3.416 1.074) 3.595 5.346 ( 2.181 -5.151 -1.761) 5.864 5.346 ( 2.181 5.151 -1.761) 5.864 5.390 ( 0.585 -5.087 -3.201) 6.039 5.390 ( 0.585 5.087 -3.201) 6.039 5.587 ( 1.502 -2.437 -2.740) 3.962 5.587 ( 1.502 2.437 -2.740) 3.962 5.660 ( 0.453 -0.926 2.691) 2.881 5.660 ( 0.453 0.926 2.691) 2.881 5.838 ( -1.002 -2.959 -0.837) 3.234 5.838 ( -1.002 2.959 -0.837) 3.234 6.237 ( -0.978 -1.721 2.633) 3.294 6.237 ( -0.978 1.721 2.633) 3.294 6.436 ( -0.907 -0.981 -0.714) 1.514 6.436 ( -0.907 0.981 -0.714) 1.514 6.699 ( -2.288 -2.217 2.623) 4.127 6.699 ( -2.288 2.217 2.623) 4.127 6.762 ( 3.037 -2.157 -1.089) 3.882 6.762 ( 3.037 2.157 -1.089) 3.882 7.132 ( -2.434 -3.964 2.293) 5.186 7.132 ( -2.434 3.964 2.293) 5.186 7.201 ( 2.905 -3.782 -0.928) 4.858 7.201 ( 2.905 3.782 -0.928) 4.858 8.425 ( -1.053 -6.952 0.732) 7.069 8.425 ( -1.053 6.952 0.732) 7.069 8.443 ( 1.365 -5.546 -0.948) 5.790 8.443 ( 1.365 5.546 -0.948) 5.790 8.804 ( 4.674 -4.393 0.437) 6.430 8.804 ( 4.674 4.393 0.437) 6.430 8.815 ( -4.125 -3.294 -0.447) 5.298 8.815 ( -4.125 3.294 -0.447) 5.298 8.943 ( -0.534 -0.573 0.095) 0.789 8.943 ( -0.534 0.573 0.095) 0.789 9.032 ( -0.456 -0.923 -0.788) 1.296 9.032 ( -0.456 0.923 -0.788) 1.296 9.160 ( -1.625 -2.185 3.372) 4.334 9.160 ( -1.625 2.185 3.372) 4.334 9.250 ( 1.414 -2.614 -3.624) 4.687 9.250 ( 1.414 2.614 -3.624) 4.687 9.829 ( 0.732 -2.569 2.389) 3.583 9.829 ( 0.732 2.569 2.389) 3.583 10.053 ( -0.136 -0.793 -3.514) 3.605 10.053 ( -0.136 0.793 -3.514) 3.605 10.395 ( -1.364 -0.980 0.205) 1.692 10.395 ( -1.364 0.980 0.205) 1.692 10.460 ( 1.249 -0.975 0.278) 1.608 10.460 ( 1.249 0.975 0.278) 1.608 10.737 ( -0.561 -4.109 2.393) 4.788 10.737 ( -0.561 4.109 2.393) 4.788 10.810 ( 0.239 -5.182 -2.553) 5.782 10.810 ( 0.239 5.182 -2.553) 5.782 11.119 ( 0.301 -1.168 -0.259) 1.234 11.119 ( 0.301 1.168 -0.259) 1.234 11.216 ( -0.384 -1.858 0.130) 1.901 11.216 ( -0.384 1.858 0.130) 1.901 11.911 ( -0.303 -1.730 0.905) 1.976 11.911 ( -0.303 1.730 0.905) 1.976 12.012 ( -0.449 -1.071 -0.720) 1.366 12.012 ( -0.449 1.071 -0.720) 1.366 12.280 ( -0.160 -3.258 2.736) 4.257 12.280 ( -0.160 3.258 2.736) 4.257 12.340 ( 0.742 -4.177 -2.712) 5.035 12.340 ( 0.742 4.177 -2.712) 5.035 12.597 ( -0.229 -3.349 0.448) 3.386 12.597 ( -0.229 3.349 0.448) 3.386 12.671 ( 0.234 -2.535 -0.141) 2.549 12.671 ( 0.234 2.535 -0.141) 2.549 13.103 ( 0.185 -0.689 -0.123) 0.724 13.103 ( 0.185 0.689 -0.123) 0.724 13.156 ( -0.260 -0.584 0.243) 0.684 13.156 ( -0.260 0.584 0.243) 0.684 14.106 ( -0.140 -0.106 0.027) 0.177 14.106 ( -0.140 0.106 0.027) 0.177 14.159 ( 0.563 -0.766 -0.542) 1.094 14.159 ( 0.563 0.766 -0.542) 1.094 14.296 ( -1.113 -1.061 0.344) 1.576 14.296 ( -1.113 1.061 0.344) 1.576 14.387 ( 0.949 -0.207 0.629) 1.157 14.387 ( 0.949 0.207 0.629) 1.157 14.682 ( -0.571 -8.850 3.060) 9.381 14.682 ( -0.571 8.850 3.060) 9.381 14.775 ( 0.858 -5.437 -3.860) 6.723 14.775 ( 0.858 5.437 -3.860) 6.723 15.162 ( -0.784 -9.100 3.698) 9.854 15.162 ( -0.784 9.100 3.698) 9.854 15.447 ( 1.542 -10.505 -6.619) 12.511 15.447 ( 1.542 10.505 -6.619) 12.511 15.723 ( 1.743 -0.532 -0.618) 1.924 15.723 ( 1.743 0.532 -0.618) 1.924 15.778 ( -2.116 -2.201 -1.253) 3.300 15.778 ( -2.116 2.201 -1.253) 3.300 16.224 ( -0.705 -0.294 0.715) 1.046 16.224 ( -0.705 0.294 0.715) 1.046 16.238 ( -0.183 -1.595 -0.436) 1.664 16.238 ( -0.183 1.595 -0.436) 1.664 17.174 ( 0.089 -0.079 0.088) 0.148 17.174 ( 0.089 0.079 0.088) 0.148 17.229 ( 0.095 -0.657 0.265) 0.714 17.229 ( 0.095 0.657 0.265) 0.714 19.589 ( 0.170 -1.367 -0.667) 1.530 19.589 ( 0.170 1.367 -0.667) 1.530 19.775 ( -0.272 -0.319 0.092) 0.429 19.775 ( -0.272 0.319 0.092) 0.429 20.614 ( -0.575 -0.313 0.882) 1.098 20.614 ( -0.575 0.313 0.882) 1.098 20.809 ( 0.428 -0.393 -0.799) 0.988 20.809 ( 0.428 0.393 -0.799) 0.988 21.629 ( 1.147 -1.185 0.783) 1.826 21.629 ( 1.147 1.185 0.783) 1.826 21.737 ( -0.992 -0.854 0.059) 1.310 21.737 ( -0.992 0.854 0.059) 1.310 22.913 ( 0.332 -0.559 -1.216) 1.379 22.913 ( 0.332 0.559 -1.216) 1.379 23.239 ( -0.462 -0.112 0.561) 0.735 23.239 ( -0.462 0.112 0.561) 0.735 26.494 ( -0.164 -0.022 -0.317) 0.358 26.494 ( -0.164 0.022 -0.317) 0.358 26.566 ( 0.243 -0.063 0.239) 0.347 26.566 ( 0.243 0.063 0.239) 0.347 29.284 ( -0.728 -0.740 1.678) 1.973 29.284 ( -0.728 0.740 1.678) 1.973 29.360 ( 1.558 -2.265 -1.559) 3.160 29.360 ( 1.558 2.265 -1.559) 3.160 29.906 ( -1.010 -11.001 8.929) 14.205 29.906 ( -1.010 11.001 8.929) 14.205 30.365 ( -1.213 -7.115 -8.832) 11.406 30.365 ( -1.213 7.115 -8.832) 11.406 30.502 ( 0.418 -0.440 0.278) 0.667 30.502 ( 0.418 0.440 0.278) 0.667 30.679 ( 0.821 -2.370 -2.306) 3.407 30.679 ( 0.821 2.370 -2.306) 3.407 31.454 ( -1.459 -7.479 5.582) 9.446 31.454 ( -1.459 7.479 5.582) 9.446 31.741 ( 2.469 -16.675 -17.983) 24.648 31.741 ( 2.469 16.675 -17.983) 24.648 32.016 ( -1.149 -1.753 0.393) 2.133 32.016 ( -1.149 1.753 0.393) 2.133 32.061 ( 2.848 -2.649 -2.223) 4.480 32.061 ( 2.848 2.649 -2.223) 4.480 32.243 ( -5.684 -0.211 0.512) 5.711 32.243 ( -5.684 0.211 0.512) 5.711 32.385 ( 2.912 -2.239 -5.029) 6.228 32.385 ( 2.912 2.239 -5.029) 6.228 33.367 ( -0.310 -0.370 2.070) 2.126 33.367 ( -0.310 0.370 2.070) 2.126 33.613 ( 0.055 -1.646 -4.802) 5.077 33.613 ( 0.055 1.646 -4.802) 5.077 34.664 ( 1.099 -0.225 1.423) 1.812 34.664 ( 1.099 0.225 1.423) 1.812 34.737 ( -0.129 -0.833 0.801) 1.163 34.737 ( -0.129 0.833 0.801) 1.163 35.308 ( 0.265 -3.382 0.673) 3.458 35.308 ( 0.265 3.382 0.673) 3.458 35.328 ( 0.323 -3.406 -0.849) 3.525 35.328 ( 0.323 3.406 -0.849) 3.525 35.574 ( 0.994 -1.277 7.638) 7.807 35.574 ( 0.994 1.277 7.638) 7.807 35.762 ( -0.860 -1.359 -6.870) 7.056 35.762 ( -0.860 1.359 -6.870) 7.056 37.257 ( -0.923 -16.841 18.153) 24.779 37.257 ( -0.923 16.841 18.153) 24.779 37.925 ( 0.130 -9.379 -6.801) 11.586 37.925 ( 0.130 9.379 -6.801) 11.586 ======================= Grid point 103 (57/63) ======================= q-point: ( 0.12 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.105 ( 1.881 -0.895 0.427) 2.126 1.105 ( 1.881 0.895 0.427) 2.126 1.139 ( 2.828 -2.172 0.366) 3.585 1.139 ( 2.828 2.172 0.366) 3.585 1.514 ( 1.859 -2.048 0.794) 2.877 1.514 ( 1.859 2.048 0.794) 2.877 1.653 ( 4.157 -3.302 -0.748) 5.361 1.653 ( 4.157 3.302 -0.748) 5.361 1.759 ( 0.555 -2.733 0.190) 2.795 1.759 ( 0.555 2.733 0.190) 2.795 1.953 ( -0.777 -6.836 0.373) 6.890 1.953 ( -0.777 6.836 0.373) 6.890 2.100 ( -6.702 -2.508 -1.068) 7.235 2.100 ( -6.702 2.508 -1.068) 7.235 2.256 ( 5.317 -4.916 -1.638) 7.424 2.256 ( 5.317 4.916 -1.638) 7.424 2.534 ( 3.062 -11.031 -0.802) 11.476 2.534 ( 3.062 11.031 -0.802) 11.476 2.636 ( 2.749 -3.153 -4.991) 6.513 2.636 ( 2.749 3.153 -4.991) 6.513 2.792 ( -5.453 -2.350 1.227) 6.064 2.792 ( -5.453 2.350 1.227) 6.064 2.869 ( 1.392 -2.878 -2.165) 3.861 2.869 ( 1.392 2.878 -2.165) 3.861 2.984 ( 9.026 -4.489 4.175) 10.911 2.984 ( 9.026 4.489 4.175) 10.911 3.078 ( 3.433 -3.568 5.527) 7.421 3.078 ( 3.433 3.568 5.527) 7.421 3.235 ( 3.150 -4.521 3.029) 6.288 3.235 ( 3.150 4.521 3.029) 6.288 3.325 ( 8.757 -0.874 -0.870) 8.843 3.325 ( 8.757 0.874 -0.870) 8.843 3.518 ( 5.057 -2.215 -1.040) 5.618 3.518 ( 5.057 2.215 -1.040) 5.618 3.797 ( 1.732 -3.253 1.047) 3.831 3.797 ( 1.732 3.253 1.047) 3.831 3.974 ( -2.552 -3.848 -6.272) 7.788 3.974 ( -2.552 3.848 -6.272) 7.788 4.181 ( -1.646 -1.853 -0.091) 2.481 4.181 ( -1.646 1.853 -0.091) 2.481 4.378 ( -5.230 -1.618 -0.261) 5.481 4.378 ( -5.230 1.618 -0.261) 5.481 4.482 ( -3.682 -1.749 3.320) 5.257 4.482 ( -3.682 1.749 3.320) 5.257 4.574 ( 0.179 -3.221 -1.162) 3.429 4.574 ( 0.179 3.221 -1.162) 3.429 4.729 ( 1.859 -4.536 4.746) 6.823 4.729 ( 1.859 4.536 4.746) 6.823 4.861 ( 0.330 -2.282 -2.071) 3.099 4.861 ( 0.330 2.282 -2.071) 3.099 5.019 ( 0.310 -3.697 2.369) 4.402 5.019 ( 0.310 3.697 2.369) 4.402 5.148 ( 1.840 -2.151 0.299) 2.846 5.148 ( 1.840 2.151 0.299) 2.846 5.264 ( -6.103 -2.795 -2.907) 7.315 5.264 ( -6.103 2.795 -2.907) 7.315 5.389 ( 1.530 -3.227 -0.650) 3.630 5.389 ( 1.530 3.227 -0.650) 3.630 5.593 ( 1.178 -4.200 -0.582) 4.401 5.593 ( 1.178 4.200 -0.582) 4.401 5.656 ( -0.500 -2.319 -1.753) 2.950 5.656 ( -0.500 2.319 -1.753) 2.950 5.848 ( 0.368 -6.480 1.261) 6.612 5.848 ( 0.368 6.480 1.261) 6.612 6.274 ( 2.662 -1.981 0.764) 3.405 6.274 ( 2.662 1.981 0.764) 3.405 6.429 ( -0.520 -1.541 1.202) 2.022 6.429 ( -0.520 1.541 1.202) 2.022 6.685 ( -0.878 -3.931 1.416) 4.270 6.685 ( -0.878 3.931 1.416) 4.270 6.814 ( 4.602 -2.581 -2.364) 5.782 6.814 ( 4.602 2.581 -2.364) 5.782 7.071 ( -6.431 -3.550 1.158) 7.437 7.071 ( -6.431 3.550 1.158) 7.437 7.221 ( 1.154 -7.436 -2.239) 7.852 7.221 ( 1.154 7.436 -2.239) 7.852 8.281 ( -14.633 -6.807 -0.257) 16.141 8.281 ( -14.633 6.807 -0.257) 16.141 8.317 ( -11.907 -6.732 -0.182) 13.680 8.317 ( -11.907 6.732 -0.182) 13.680 8.752 ( 0.296 -3.734 -1.181) 3.928 8.752 ( 0.296 3.734 -1.181) 3.928 8.914 ( -0.623 -0.610 0.847) 1.215 8.914 ( -0.623 0.610 0.847) 1.215 8.971 ( 6.757 -2.190 0.684) 7.136 8.971 ( 6.757 2.190 0.684) 7.136 9.054 ( 2.424 -1.651 0.238) 2.942 9.054 ( 2.424 1.651 0.238) 2.942 9.228 ( 4.742 -1.110 2.911) 5.674 9.228 ( 4.742 1.110 2.911) 5.674 9.277 ( 5.140 -1.927 -2.174) 5.904 9.277 ( 5.140 1.927 -2.174) 5.904 9.837 ( -0.754 -1.211 -2.080) 2.522 9.837 ( -0.754 1.211 -2.080) 2.522 9.999 ( -4.071 -2.741 1.025) 5.014 9.999 ( -4.071 2.741 1.025) 5.014 10.302 ( -9.891 -4.002 1.461) 10.769 10.302 ( -9.891 4.002 1.461) 10.769 10.377 ( -7.577 -1.418 -1.208) 7.803 10.377 ( -7.577 1.418 -1.208) 7.803 10.707 ( -5.071 -2.946 0.966) 5.944 10.707 ( -5.071 2.946 0.966) 5.944 10.770 ( -2.380 -3.467 -0.377) 4.222 10.770 ( -2.380 3.467 -0.377) 4.222 11.196 ( 8.283 -2.798 -0.560) 8.761 11.196 ( 8.283 2.798 -0.560) 8.761 11.313 ( 9.378 -3.109 0.733) 9.907 11.313 ( 9.378 3.109 0.733) 9.907 11.948 ( 3.223 -4.340 0.304) 5.414 11.948 ( 3.223 4.340 0.304) 5.414 12.024 ( 1.000 -2.469 0.616) 2.734 12.024 ( 1.000 2.469 0.616) 2.734 12.256 ( -4.407 -4.633 -0.384) 6.406 12.256 ( -4.407 4.633 -0.384) 6.406 12.286 ( -2.826 -4.226 -0.689) 5.131 12.286 ( -2.826 4.226 -0.689) 5.131 12.603 ( 0.989 -2.240 0.593) 2.519 12.603 ( 0.989 2.240 0.593) 2.519 12.676 ( 0.306 -3.893 -0.407) 3.926 12.676 ( 0.306 3.893 -0.407) 3.926 13.156 ( 5.878 -1.140 -0.190) 5.990 13.156 ( 5.878 1.140 -0.190) 5.990 13.215 ( 5.716 -2.859 0.293) 6.398 13.215 ( 5.716 2.859 0.293) 6.398 14.026 ( -5.635 -0.304 0.032) 5.643 14.026 ( -5.635 0.304 0.032) 5.643 14.068 ( -9.771 -1.939 -0.165) 9.963 14.068 ( -9.771 1.939 -0.165) 9.963 14.330 ( 5.707 -1.081 0.782) 5.861 14.330 ( 5.707 1.081 0.782) 5.861 14.435 ( 1.550 -2.478 -1.201) 3.160 14.435 ( 1.550 2.478 -1.201) 3.160 14.831 ( 11.347 -3.827 0.861) 12.006 14.831 ( 11.347 3.827 0.861) 12.006 14.885 ( 13.024 -4.195 -0.860) 13.710 14.885 ( 13.024 4.195 -0.860) 13.710 15.197 ( 1.580 -5.701 0.712) 5.958 15.197 ( 1.580 5.701 0.712) 5.958 15.358 ( -4.849 -5.094 -1.381) 7.167 15.358 ( -4.849 5.094 -1.381) 7.167 15.695 ( -1.158 -1.954 -1.585) 2.770 15.695 ( -1.158 1.954 -1.585) 2.770 15.767 ( -0.643 -3.809 2.547) 4.627 15.767 ( -0.643 3.809 2.547) 4.627 16.242 ( 2.373 -0.954 -0.149) 2.562 16.242 ( 2.373 0.954 -0.149) 2.562 16.302 ( 4.737 -1.889 1.364) 5.279 16.302 ( 4.737 1.889 1.364) 5.279 17.170 ( -0.337 -0.774 -0.148) 0.858 17.170 ( -0.337 0.774 -0.148) 0.858 17.229 ( -0.056 -0.663 -0.208) 0.697 17.229 ( -0.056 0.663 -0.208) 0.697 19.602 ( 2.106 -0.610 -0.112) 2.195 19.602 ( 2.106 0.610 -0.112) 2.195 19.806 ( 3.479 -0.532 0.492) 3.554 19.806 ( 3.479 0.532 0.492) 3.554 20.568 ( -5.777 -1.497 0.793) 6.020 20.568 ( -5.777 1.497 0.793) 6.020 20.771 ( -3.770 -1.409 -0.552) 4.062 20.771 ( -3.770 1.409 -0.552) 4.062 21.689 ( 6.397 -0.604 -1.847) 6.685 21.689 ( 6.397 0.604 -1.847) 6.685 21.793 ( 6.030 -0.943 1.458) 6.275 21.793 ( 6.030 0.943 1.458) 6.275 22.872 ( -3.949 -1.536 -0.307) 4.248 22.872 ( -3.949 1.536 -0.307) 4.248 23.167 ( -8.115 -0.637 0.510) 8.156 23.167 ( -8.115 0.637 0.510) 8.156 26.613 ( 13.297 -0.668 0.379) 13.319 26.613 ( 13.297 0.668 0.379) 13.319 26.705 ( 14.999 -1.012 -0.203) 15.034 26.705 ( 14.999 1.012 -0.203) 15.034 29.099 ( -18.910 -6.431 0.221) 19.975 29.099 ( -18.910 6.431 0.221) 19.975 29.191 ( -16.575 -3.767 -1.079) 17.032 29.191 ( -16.575 3.767 -1.079) 17.032 30.090 ( 11.413 -9.883 -1.142) 15.140 30.090 ( 11.413 9.883 -1.142) 15.140 30.380 ( 6.126 -6.872 3.689) 9.917 30.380 ( 6.126 6.872 3.689) 9.917 30.529 ( 3.635 -1.127 -0.467) 3.835 30.529 ( 3.635 1.127 -0.467) 3.835 30.720 ( 5.575 -2.883 -0.565) 6.302 30.720 ( 5.575 2.883 -0.565) 6.302 31.488 ( -2.232 -10.371 0.987) 10.654 31.488 ( -2.232 10.371 0.987) 10.654 31.643 ( -0.010 -9.963 0.088) 9.963 31.643 ( -0.010 9.963 0.088) 9.963 31.893 ( -6.778 -3.017 1.272) 7.527 31.893 ( -6.778 3.017 1.272) 7.527 31.987 ( -6.474 -2.568 -0.148) 6.966 31.987 ( -6.474 2.568 -0.148) 6.966 32.376 ( 11.385 -0.845 3.984) 12.091 32.376 ( 11.385 0.845 3.984) 12.091 32.506 ( 12.697 -1.447 -2.130) 12.956 32.506 ( 12.697 1.447 -2.130) 12.956 33.358 ( -2.474 -0.391 -0.152) 2.509 33.358 ( -2.474 0.391 -0.152) 2.509 33.562 ( -2.998 -0.756 1.130) 3.292 33.562 ( -2.998 0.756 1.130) 3.292 34.624 ( -3.673 -1.614 -1.578) 4.311 34.624 ( -3.673 1.614 -1.578) 4.311 34.782 ( 3.292 -1.503 -0.325) 3.634 34.782 ( 3.292 1.503 -0.325) 3.634 35.319 ( 1.069 -4.244 -0.415) 4.396 35.319 ( 1.069 4.244 -0.415) 4.396 35.348 ( 2.401 -3.920 -0.491) 4.623 35.348 ( 2.401 3.920 -0.491) 4.623 35.632 ( 1.607 -0.357 -6.270) 6.482 35.632 ( 1.607 0.357 -6.270) 6.482 35.741 ( 2.460 -1.071 5.759) 6.353 35.741 ( 2.460 1.071 5.759) 6.353 37.271 ( -8.557 -3.805 -3.250) 9.913 37.271 ( -8.557 3.805 -3.250) 9.913 37.764 ( -13.491 -1.611 1.948) 13.726 37.764 ( -13.491 1.611 1.948) 13.726 ======================= Grid point 105 (58/63) ======================= q-point: ( 0.25 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 2.873 -0.111 -1.841) 3.414 1.144 ( 2.873 0.111 -1.841) 3.414 1.208 ( 3.754 -1.275 0.039) 3.965 1.208 ( 3.754 1.275 0.039) 3.965 1.460 ( 2.082 -7.766 -8.300) 11.556 1.460 ( 2.082 7.766 -8.300) 11.556 1.731 ( 1.297 -4.283 -1.698) 4.787 1.731 ( 1.297 4.283 -1.698) 4.787 1.807 ( 3.170 -5.067 0.813) 6.032 1.807 ( 3.170 5.067 0.813) 6.032 1.950 ( 0.547 -3.658 2.424) 4.422 1.950 ( 0.547 3.658 2.424) 4.422 2.055 ( 3.932 -7.573 0.195) 8.535 2.055 ( 3.932 7.573 0.195) 8.535 2.386 ( 8.214 -7.433 -0.485) 11.089 2.386 ( 8.214 7.433 -0.485) 11.089 2.516 ( -1.941 -8.511 -1.527) 8.862 2.516 ( -1.941 8.511 -1.527) 8.862 2.559 ( -2.816 -6.655 -2.552) 7.663 2.559 ( -2.816 6.655 -2.552) 7.663 2.777 ( 4.061 -5.790 -1.486) 7.226 2.777 ( 4.061 5.790 -1.486) 7.226 2.948 ( 4.006 -3.380 2.095) 5.645 2.948 ( 4.006 3.380 2.095) 5.645 3.120 ( 9.840 -0.900 -0.733) 9.908 3.120 ( 9.840 0.900 -0.733) 9.908 3.205 ( 5.527 -1.028 -2.633) 6.208 3.205 ( 5.527 1.028 -2.633) 6.208 3.354 ( 4.466 -4.458 0.140) 6.312 3.354 ( 4.466 4.458 0.140) 6.312 3.485 ( 6.771 -3.184 4.781) 8.879 3.485 ( 6.771 3.184 4.781) 8.879 3.619 ( 4.480 -5.008 -5.538) 8.707 3.619 ( 4.480 5.008 -5.538) 8.707 3.752 ( -2.799 -2.579 -1.242) 4.003 3.752 ( -2.799 2.579 -1.242) 4.003 3.891 ( 0.475 -5.746 0.375) 5.778 3.891 ( 0.475 5.746 0.375) 5.778 4.136 ( -1.622 -2.893 0.920) 3.442 4.136 ( -1.622 2.893 0.920) 3.442 4.309 ( -2.787 -1.795 2.602) 4.214 4.309 ( -2.787 1.795 2.602) 4.214 4.505 ( -2.161 -9.401 -1.311) 9.735 4.505 ( -2.161 9.401 -1.311) 9.735 4.610 ( 5.029 -6.237 3.859) 8.893 4.610 ( 5.029 6.237 3.859) 8.893 4.727 ( -3.435 -4.551 -2.659) 6.292 4.727 ( -3.435 4.551 -2.659) 6.292 4.884 ( 0.225 -4.992 1.100) 5.116 4.884 ( 0.225 4.992 1.100) 5.116 4.996 ( -5.189 -4.424 0.633) 6.849 4.996 ( -5.189 4.424 0.633) 6.849 5.124 ( -1.138 -6.087 -0.987) 6.271 5.124 ( -1.138 6.087 -0.987) 6.271 5.237 ( -1.692 -4.517 7.869) 9.230 5.237 ( -1.692 4.517 7.869) 9.230 5.420 ( 2.221 -7.248 0.342) 7.588 5.420 ( 2.221 7.248 0.342) 7.588 5.556 ( -3.374 -2.346 0.640) 4.159 5.556 ( -3.374 2.346 0.640) 4.159 5.695 ( 6.068 -1.401 -2.191) 6.602 5.695 ( 6.068 1.401 -2.191) 6.602 5.831 ( -3.906 -7.658 0.914) 8.645 5.831 ( -3.906 7.658 0.914) 8.645 6.335 ( 3.556 -3.217 -1.010) 4.901 6.335 ( 3.556 3.217 -1.010) 4.901 6.418 ( 0.421 -4.953 -1.577) 5.215 6.418 ( 0.421 4.953 -1.577) 5.215 6.742 ( 2.860 -4.261 3.197) 6.047 6.742 ( 2.860 4.261 3.197) 6.047 6.854 ( 3.755 -2.320 -2.953) 5.311 6.854 ( 3.755 2.320 -2.953) 5.311 6.974 ( -5.260 -1.829 2.007) 5.919 6.974 ( -5.260 1.829 2.007) 5.919 7.184 ( -1.601 -7.847 -2.808) 8.486 7.184 ( -1.601 7.847 -2.808) 8.486 7.988 ( -17.004 -6.516 0.598) 18.220 7.988 ( -17.004 6.516 0.598) 18.220 8.106 ( -11.587 -7.294 -0.488) 13.700 8.106 ( -11.587 7.294 -0.488) 13.700 8.758 ( 1.669 -2.741 -1.194) 3.424 8.758 ( 1.669 2.741 -1.194) 3.424 8.913 ( -0.619 -1.810 1.600) 2.494 8.913 ( -0.619 1.810 1.600) 2.494 9.066 ( 2.332 -2.189 0.798) 3.296 9.066 ( 2.332 2.189 0.798) 3.296 9.112 ( 4.585 -2.085 -0.047) 5.037 9.112 ( 4.585 2.085 -0.047) 5.037 9.337 ( 3.037 -1.092 -0.453) 3.259 9.337 ( 3.037 1.092 -0.453) 3.259 9.377 ( 7.964 -2.335 2.268) 8.604 9.377 ( 7.964 2.335 2.268) 8.604 9.753 ( -4.730 -0.539 -3.083) 5.672 9.753 ( -4.730 0.539 -3.083) 5.672 9.906 ( -7.874 -3.287 -0.023) 8.533 9.906 ( -7.874 3.287 -0.023) 8.533 10.121 ( -10.956 -5.429 -0.844) 12.256 10.121 ( -10.956 5.429 -0.844) 12.256 10.259 ( -5.229 -2.852 1.526) 6.149 10.259 ( -5.229 2.852 1.526) 6.149 10.630 ( -4.210 -2.817 1.043) 5.171 10.630 ( -4.210 2.817 1.043) 5.171 10.716 ( -3.296 -2.343 -0.039) 4.044 10.716 ( -3.296 2.343 -0.039) 4.044 11.356 ( 9.831 -0.636 -0.114) 9.852 11.356 ( 9.831 0.636 -0.114) 9.852 11.484 ( 7.993 -2.389 0.394) 8.352 11.484 ( 7.993 2.389 0.394) 8.352 12.002 ( 1.819 -2.429 -1.143) 3.243 12.002 ( 1.819 2.429 -1.143) 3.243 12.025 ( -1.128 -2.409 0.818) 2.783 12.025 ( -1.128 2.409 0.818) 2.783 12.188 ( -1.386 -4.058 -0.431) 4.310 12.188 ( -1.386 4.058 -0.431) 4.310 12.248 ( -0.582 -3.440 0.035) 3.489 12.248 ( -0.582 3.440 0.035) 3.489 12.631 ( 0.504 -3.211 -0.418) 3.277 12.631 ( 0.504 3.211 -0.418) 3.277 12.673 ( 0.073 -3.410 0.217) 3.417 12.673 ( 0.073 3.410 0.217) 3.417 13.273 ( 6.948 -2.122 -0.093) 7.265 13.273 ( 6.948 2.122 -0.093) 7.265 13.326 ( 5.900 -3.369 0.298) 6.800 13.326 ( 5.900 3.369 0.298) 6.800 13.924 ( -4.058 -5.362 -0.212) 6.728 13.924 ( -4.058 5.362 -0.212) 6.728 13.973 ( -1.210 -6.279 0.242) 6.400 13.973 ( -1.210 6.279 0.242) 6.400 14.378 ( -3.267 -4.508 0.945) 5.647 14.378 ( -3.267 4.508 0.945) 5.647 14.431 ( 0.960 -4.613 -2.223) 5.210 14.431 ( 0.960 4.613 -2.223) 5.210 14.983 ( 5.460 -5.234 -1.634) 7.739 14.983 ( 5.460 5.234 -1.634) 7.739 15.060 ( 2.898 -8.193 1.064) 8.755 15.060 ( 2.898 8.193 1.064) 8.755 15.280 ( 5.934 -2.571 1.711) 6.690 15.280 ( 5.934 2.571 1.711) 6.690 15.301 ( 3.429 -0.936 -0.730) 3.628 15.301 ( 3.429 0.936 -0.730) 3.628 15.669 ( 1.345 -0.874 -1.725) 2.356 15.669 ( 1.345 0.874 -1.725) 2.356 15.834 ( 2.648 -0.930 4.250) 5.092 15.834 ( 2.648 0.930 4.250) 5.092 16.273 ( 1.111 -0.288 -0.110) 1.153 16.273 ( 1.111 0.288 -0.110) 1.153 16.385 ( 1.233 -2.753 1.912) 3.571 16.385 ( 1.233 2.753 1.912) 3.571 17.167 ( 0.472 -1.238 -0.291) 1.357 17.167 ( 0.472 1.238 -0.291) 1.357 17.224 ( -0.168 -0.332 -0.278) 0.464 17.224 ( -0.168 0.332 -0.278) 0.464 19.671 ( 5.553 -1.104 0.697) 5.704 19.671 ( 5.553 1.104 0.697) 5.704 19.909 ( 6.852 -0.788 1.370) 7.032 19.909 ( 6.852 0.788 1.370) 7.032 20.446 ( -8.955 -1.631 0.675) 9.127 20.446 ( -8.955 1.631 0.675) 9.127 20.674 ( -6.588 -1.969 -0.120) 6.877 20.674 ( -6.588 1.969 -0.120) 6.877 21.815 ( 10.843 -0.412 -1.451) 10.948 21.815 ( 10.843 0.412 -1.451) 10.948 21.947 ( 9.273 -0.638 0.766) 9.327 21.947 ( 9.273 0.638 0.766) 9.327 22.774 ( -7.089 -2.749 0.155) 7.605 22.774 ( -7.089 2.749 0.155) 7.605 22.996 ( -10.945 -1.471 -0.377) 11.050 22.996 ( -10.945 1.471 -0.377) 11.050 26.906 ( 19.839 -2.790 -1.273) 20.074 26.906 ( 19.839 2.790 -1.273) 20.074 27.060 ( 22.268 -7.879 3.798) 23.924 27.060 ( 22.268 7.879 3.798) 23.924 28.743 ( -21.390 -7.775 0.613) 22.767 28.743 ( -21.390 7.775 0.613) 22.767 28.817 ( -23.715 -5.561 -1.428) 24.400 28.817 ( -23.715 5.561 -1.428) 24.400 30.253 ( 10.765 -8.842 -2.628) 14.177 30.253 ( 10.765 8.842 -2.628) 14.177 30.493 ( 2.927 -5.350 0.003) 6.098 30.493 ( 2.927 5.350 0.003) 6.098 30.666 ( 8.567 -5.762 3.568) 10.923 30.666 ( 8.567 5.762 3.568) 10.923 30.842 ( 7.546 -6.232 1.341) 9.878 30.842 ( 7.546 6.232 1.341) 9.878 31.385 ( -6.902 -6.566 -2.468) 9.841 31.385 ( -6.902 6.566 -2.468) 9.841 31.612 ( -9.003 -4.657 5.522) 11.542 31.612 ( -9.003 4.657 5.522) 11.542 31.901 ( -1.239 -3.374 1.471) 3.884 31.901 ( -1.239 3.374 1.471) 3.884 31.983 ( 3.033 -10.857 11.835) 16.345 31.983 ( 3.033 10.857 11.835) 16.345 32.625 ( 9.467 -1.657 4.906) 10.791 32.625 ( 9.467 1.657 4.906) 10.791 32.713 ( 13.030 -1.669 -0.926) 13.169 32.713 ( 13.030 1.669 -0.926) 13.169 33.288 ( -4.090 -1.404 -0.969) 4.431 33.288 ( -4.090 1.404 -0.969) 4.431 33.526 ( -6.071 -1.985 4.564) 7.851 33.526 ( -6.071 1.985 4.564) 7.851 34.542 ( -2.479 -1.081 -1.794) 3.246 34.542 ( -2.479 1.081 -1.794) 3.246 34.815 ( 2.659 -1.378 -2.925) 4.186 34.815 ( 2.659 1.378 -2.925) 4.186 35.337 ( 1.550 -3.972 -0.651) 4.314 35.337 ( 1.550 3.972 -0.651) 4.314 35.384 ( 2.214 -4.441 -0.223) 4.967 35.384 ( 2.214 4.441 -0.223) 4.967 35.574 ( 3.695 -1.062 -8.803) 9.606 35.574 ( 3.695 1.062 -8.803) 9.606 35.878 ( 3.088 -0.454 5.017) 5.909 35.878 ( 3.088 0.454 5.017) 5.909 36.934 ( -8.722 -14.477 -19.694) 25.952 36.934 ( -8.722 14.477 -19.694) 25.952 37.556 ( -18.919 -9.555 8.940) 23.003 37.556 ( -18.919 9.555 8.940) 23.003 ======================= Grid point 107 (59/63) ======================= q-point: ( 0.38 -0.50 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 1.797 -2.160 -1.756) 3.314 1.154 ( 1.797 2.160 -1.756) 3.314 1.237 ( 1.266 -1.643 -1.827) 2.764 1.237 ( 1.266 1.643 -1.827) 2.764 1.534 ( 7.537 -5.757 1.996) 9.692 1.534 ( 7.537 5.757 1.996) 9.692 1.687 ( -1.621 -3.114 -3.096) 4.680 1.687 ( -1.621 3.114 -3.096) 4.680 1.796 ( 1.221 -2.979 -2.204) 3.902 1.796 ( 1.221 2.979 -2.204) 3.902 1.975 ( -0.487 -4.727 1.342) 4.938 1.975 ( -0.487 4.727 1.342) 4.938 2.185 ( 4.286 -3.760 -2.092) 6.073 2.185 ( 4.286 3.760 -2.092) 6.073 2.336 ( 0.463 -6.150 -2.121) 6.522 2.336 ( 0.463 6.150 -2.121) 6.522 2.485 ( -5.100 -4.243 2.337) 7.034 2.485 ( -5.100 4.243 2.337) 7.034 2.716 ( 15.395 -4.148 -1.904) 16.058 2.716 ( 15.395 4.148 -1.904) 16.058 2.823 ( 1.923 -8.432 -1.076) 8.715 2.823 ( 1.923 8.432 -1.076) 8.715 3.000 ( 5.445 -2.153 -2.130) 6.231 3.000 ( 5.445 2.153 -2.130) 6.231 3.198 ( -1.411 -6.458 -2.328) 7.008 3.198 ( -1.411 6.458 -2.328) 7.008 3.260 ( -4.525 -7.260 -5.901) 10.393 3.260 ( -4.525 7.260 -5.901) 10.393 3.365 ( 2.990 -4.250 0.516) 5.222 3.365 ( 2.990 4.250 0.516) 5.222 3.504 ( 3.059 -0.544 -0.747) 3.196 3.504 ( 3.059 0.544 -0.747) 3.196 3.669 ( 8.284 -1.749 -0.724) 8.497 3.669 ( 8.284 1.749 -0.724) 8.497 3.836 ( 4.393 -1.894 3.437) 5.890 3.836 ( 4.393 1.894 3.437) 5.890 3.948 ( 2.147 -0.627 5.183) 5.644 3.948 ( 2.147 0.627 5.183) 5.644 4.174 ( 1.978 -1.668 2.539) 3.626 4.174 ( 1.978 1.668 2.539) 3.626 4.299 ( -2.345 -2.789 0.940) 3.764 4.299 ( -2.345 2.789 0.940) 3.764 4.435 ( -2.588 -10.153 -2.107) 10.687 4.435 ( -2.588 10.153 -2.107) 10.687 4.611 ( -3.790 -4.363 -3.395) 6.703 4.611 ( -3.790 4.363 -3.395) 6.703 4.734 ( 1.463 -7.502 1.251) 7.745 4.734 ( 1.463 7.502 1.251) 7.745 4.812 ( -0.607 -4.533 -2.142) 5.051 4.812 ( -0.607 4.533 -2.142) 5.051 4.968 ( -2.197 -6.546 2.451) 7.327 4.968 ( -2.197 6.546 2.451) 7.327 5.079 ( -3.380 -9.426 -1.451) 10.118 5.079 ( -3.380 9.426 -1.451) 10.118 5.313 ( -2.511 -1.505 6.133) 6.796 5.313 ( -2.511 1.505 6.133) 6.796 5.430 ( -0.892 -4.980 2.067) 5.465 5.430 ( -0.892 4.980 2.067) 5.465 5.563 ( -0.287 -4.684 1.786) 5.021 5.563 ( -0.287 4.684 1.786) 5.021 5.733 ( 0.363 -5.998 0.588) 6.037 5.733 ( 0.363 5.998 0.588) 6.037 5.796 ( 0.897 -4.412 -0.447) 4.525 5.796 ( 0.897 4.412 -0.447) 4.525 6.343 ( 1.631 -4.976 -2.420) 5.769 6.343 ( 1.631 4.976 -2.420) 5.769 6.456 ( 4.620 -2.337 -2.380) 5.699 6.456 ( 4.620 2.337 -2.380) 5.699 6.780 ( 1.207 -0.651 0.104) 1.375 6.780 ( 1.207 0.651 0.104) 1.375 6.887 ( -0.501 -1.855 3.336) 3.850 6.887 ( -0.501 1.855 3.336) 3.850 6.965 ( 0.374 -2.854 -0.364) 2.901 6.965 ( 0.374 2.854 -0.364) 2.901 7.106 ( -3.277 -4.385 -2.431) 5.989 7.106 ( -3.277 4.385 -2.431) 5.989 7.779 ( -9.049 -5.710 3.666) 11.310 7.779 ( -9.049 5.710 3.666) 11.310 7.929 ( -7.066 -6.882 -1.177) 9.934 7.929 ( -7.066 6.882 -1.177) 9.934 8.772 ( 1.461 -1.456 -1.139) 2.356 8.772 ( 1.461 1.456 -1.139) 2.356 8.927 ( -0.255 -1.290 1.384) 1.909 8.927 ( -0.255 1.290 1.384) 1.909 9.105 ( 1.980 -2.508 0.424) 3.223 9.105 ( 1.980 2.508 0.424) 3.223 9.183 ( 2.451 -1.347 0.704) 2.884 9.183 ( 2.451 1.347 0.704) 2.884 9.377 ( 2.566 -1.669 0.295) 3.075 9.377 ( 2.566 1.669 0.295) 3.075 9.516 ( 3.921 -1.792 0.183) 4.315 9.516 ( 3.921 1.792 0.183) 4.315 9.619 ( -6.640 -1.396 0.013) 6.785 9.619 ( -6.640 1.396 0.013) 6.785 9.760 ( -6.978 -0.669 -2.302) 7.378 9.760 ( -6.978 0.669 -2.302) 7.378 9.960 ( -3.674 -4.143 -1.236) 5.674 9.960 ( -3.674 4.143 -1.236) 5.674 10.200 ( -4.154 -1.900 0.520) 4.597 10.200 ( -4.154 1.900 0.520) 4.597 10.605 ( -0.742 -3.077 1.443) 3.478 10.605 ( -0.742 3.077 1.443) 3.478 10.668 ( -2.144 -2.486 0.079) 3.284 10.668 ( -2.144 2.486 0.079) 3.284 11.501 ( 5.758 -1.355 0.585) 5.944 11.501 ( 5.758 1.355 0.585) 5.944 11.577 ( 3.147 -1.566 -0.225) 3.523 11.577 ( 3.147 1.566 -0.225) 3.523 11.970 ( -1.638 -1.527 -0.631) 2.326 11.970 ( -1.638 1.527 -0.631) 2.326 12.020 ( -0.860 -1.518 -1.165) 2.098 12.020 ( -0.860 1.518 -1.165) 2.098 12.205 ( 2.308 -1.315 0.347) 2.679 12.205 ( 2.308 1.315 0.347) 2.679 12.269 ( 2.652 -0.992 0.247) 2.842 12.269 ( 2.652 0.992 0.247) 2.842 12.600 ( -1.821 -2.998 -0.832) 3.605 12.600 ( -1.821 2.998 -0.832) 3.605 12.675 ( -1.149 -3.047 0.126) 3.259 12.675 ( -1.149 3.047 0.126) 3.259 13.371 ( 4.272 -1.910 -0.146) 4.682 13.371 ( 4.272 1.910 -0.146) 4.682 13.405 ( 2.820 -2.453 0.187) 3.742 13.405 ( 2.820 2.453 0.187) 3.742 13.926 ( 3.392 -2.906 0.415) 4.486 13.926 ( 3.392 2.906 0.415) 4.486 14.002 ( 3.736 -6.109 -0.244) 7.165 14.002 ( 3.736 6.109 -0.244) 7.165 14.296 ( -6.591 -6.181 0.863) 9.077 14.296 ( -6.591 6.181 0.863) 9.077 14.370 ( -4.041 -2.988 -1.934) 5.386 14.370 ( -4.041 2.988 -1.934) 5.386 14.997 ( -1.252 -2.913 -0.960) 3.313 14.997 ( -1.252 2.914 -0.960) 3.313 15.037 ( -2.822 -2.650 0.298) 3.883 15.037 ( -2.822 2.650 0.298) 3.883 15.367 ( 6.249 -2.481 -0.937) 6.789 15.367 ( 6.249 2.481 -0.937) 6.789 15.448 ( 6.152 -2.634 0.817) 6.742 15.448 ( 6.152 2.634 0.817) 6.742 15.718 ( 5.075 -2.257 0.305) 5.563 15.718 ( 5.075 2.257 0.305) 5.563 15.908 ( 0.299 -3.318 1.961) 3.866 15.908 ( 0.299 3.318 1.961) 3.866 16.281 ( -0.165 -1.205 0.565) 1.341 16.281 ( -0.165 1.205 0.565) 1.341 16.381 ( -2.493 -1.106 0.270) 2.741 16.381 ( -2.493 1.106 0.270) 2.741 17.176 ( 1.004 -1.477 -0.672) 1.908 17.176 ( 1.004 1.477 -0.672) 1.908 17.218 ( -0.396 -0.415 0.152) 0.593 17.218 ( -0.396 0.415 0.152) 0.593 19.803 ( 8.323 -1.631 0.790) 8.518 19.803 ( 8.323 1.631 0.790) 8.518 20.036 ( 3.880 -1.627 1.060) 4.339 20.036 ( 3.880 1.627 1.060) 4.339 20.300 ( -7.717 -0.795 0.778) 7.797 20.300 ( -7.717 0.795 0.778) 7.797 20.561 ( -6.077 -1.551 0.527) 6.294 20.561 ( -6.077 1.551 0.527) 6.294 22.012 ( 11.937 -0.473 0.150) 11.947 22.012 ( 11.937 0.473 0.150) 11.947 22.101 ( 7.440 -0.389 -0.247) 7.454 22.101 ( 7.440 0.390 -0.247) 7.454 22.642 ( -7.927 -2.839 0.104) 8.421 22.642 ( -7.927 2.839 0.104) 8.421 22.813 ( -8.720 -1.331 -0.528) 8.837 22.813 ( -8.720 1.331 -0.528) 8.837 27.247 ( 21.149 -4.808 -1.251) 21.724 27.247 ( 21.149 4.808 -1.251) 21.724 27.473 ( 17.476 -12.600 3.333) 21.801 27.473 ( 17.476 12.600 3.333) 21.801 28.380 ( -23.016 -3.820 -1.071) 23.355 28.380 ( -23.016 3.820 -1.071) 23.355 28.419 ( -17.330 -6.714 1.725) 18.665 28.419 ( -17.330 6.714 1.725) 18.665 30.388 ( 6.961 -5.591 -1.060) 8.990 30.388 ( 6.961 5.591 -1.060) 8.990 30.525 ( 2.493 -2.295 -1.806) 3.840 30.525 ( 2.493 2.295 -1.806) 3.840 30.835 ( 5.862 -4.691 2.820) 8.020 30.835 ( 5.862 4.691 2.820) 8.020 30.987 ( 6.395 -3.572 0.664) 7.355 30.987 ( 6.395 3.572 0.664) 7.355 31.237 ( -6.744 -4.469 -0.133) 8.091 31.237 ( -6.744 4.469 -0.133) 8.091 31.526 ( -7.607 -3.853 4.891) 9.831 31.526 ( -7.607 3.853 4.891) 9.831 31.940 ( 3.075 -6.047 2.690) 7.298 31.940 ( 3.075 6.047 2.690) 7.298 32.185 ( -0.722 -11.208 13.537) 17.590 32.185 ( -0.722 11.208 13.537) 17.590 32.748 ( 1.878 -0.696 -1.495) 2.499 32.748 ( 1.878 0.696 -1.495) 2.499 32.937 ( 11.880 -0.607 1.506) 11.991 32.937 ( 11.880 0.607 1.506) 11.991 33.215 ( -3.955 -3.754 0.970) 5.539 33.215 ( -3.955 3.754 0.970) 5.539 33.448 ( -8.547 -1.402 3.124) 9.207 33.448 ( -8.547 1.402 3.124) 9.207 34.524 ( 0.728 -0.714 1.935) 2.187 34.524 ( 0.728 0.714 1.935) 2.187 34.799 ( 1.462 -0.874 -5.228) 5.499 34.799 ( 1.462 0.874 -5.228) 5.499 35.348 ( 1.295 -2.302 -1.792) 3.192 35.348 ( 1.295 2.302 -1.792) 3.192 35.422 ( 2.185 -3.900 0.171) 4.474 35.422 ( 2.185 3.900 0.171) 4.474 35.546 ( 4.331 -1.678 -7.005) 8.404 35.546 ( 4.331 1.678 -7.005) 8.404 35.865 ( -4.667 -2.435 -6.468) 8.339 35.865 ( -4.667 2.435 -6.468) 8.339 36.731 ( 9.419 -9.835 -8.272) 15.933 36.731 ( 9.419 9.835 -8.272) 15.933 37.310 ( -20.277 -7.919 5.553) 22.465 37.310 ( -20.277 7.919 5.553) 22.465 ======================= Grid point 109 (60/63) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.003 -0.576 -0.150) 0.595 1.165 ( -0.003 0.576 -0.150) 0.595 1.224 ( 0.203 -0.542 -1.775) 1.867 1.224 ( 0.203 0.542 -1.775) 1.867 1.524 ( -2.818 -1.179 -1.420) 3.368 1.524 ( -2.818 1.179 -1.420) 3.368 1.690 ( 0.600 -0.926 -1.639) 1.976 1.690 ( 0.600 0.926 -1.639) 1.976 1.834 ( 0.933 -0.116 -0.348) 1.002 1.834 ( 0.933 0.116 -0.348) 1.002 2.083 ( 5.703 -1.795 9.241) 11.006 2.083 ( 5.703 1.795 9.241) 11.006 2.150 ( -0.958 -2.015 -1.146) 2.509 2.150 ( -0.958 2.015 -1.146) 2.509 2.283 ( -2.225 -0.676 -8.222) 8.544 2.283 ( -2.225 0.676 -8.222) 8.544 2.491 ( -0.643 -1.405 4.008) 4.295 2.491 ( -0.643 1.405 4.008) 4.295 2.765 ( -2.283 -3.683 -0.307) 4.344 2.765 ( -2.283 3.683 -0.307) 4.344 2.856 ( -13.562 -5.092 0.146) 14.487 2.856 ( -13.562 5.092 0.146) 14.487 2.977 ( 8.441 -3.045 -3.745) 9.724 2.977 ( 8.441 3.045 -3.745) 9.724 3.093 ( 0.036 -1.982 -3.288) 3.839 3.093 ( 0.036 1.982 -3.288) 3.839 3.211 ( 1.988 -2.907 -0.638) 3.579 3.211 ( 1.988 2.907 -0.638) 3.579 3.444 ( -5.451 -4.040 1.168) 6.885 3.444 ( -5.451 4.040 1.168) 6.885 3.514 ( 8.341 -7.447 -2.528) 11.464 3.514 ( 8.341 7.447 -2.528) 11.464 3.829 ( 2.064 -1.388 2.205) 3.324 3.829 ( 2.064 1.388 2.205) 3.324 3.911 ( 1.861 -2.558 0.380) 3.186 3.911 ( 1.861 2.558 0.380) 3.186 4.014 ( -1.350 -2.881 1.855) 3.683 4.014 ( -1.350 2.881 1.855) 3.683 4.194 ( -1.147 -1.365 -0.026) 1.783 4.194 ( -1.147 1.365 -0.026) 1.783 4.279 ( -2.320 -0.876 2.635) 3.619 4.279 ( -2.320 0.876 2.635) 3.619 4.369 ( -0.330 -1.528 -2.543) 2.985 4.369 ( -0.330 1.528 -2.543) 2.985 4.546 ( -0.350 -0.597 -0.133) 0.705 4.546 ( -0.350 0.597 -0.133) 0.705 4.689 ( -0.176 -3.162 -1.813) 3.649 4.689 ( -0.176 3.162 -1.813) 3.649 4.904 ( 4.250 -5.010 2.427) 7.004 4.904 ( 4.250 5.010 2.427) 7.004 4.953 ( -1.126 -6.231 -1.155) 6.436 4.953 ( -1.126 6.231 -1.155) 6.436 5.020 ( -0.723 -5.909 0.656) 5.989 5.020 ( -0.723 5.909 0.656) 5.989 5.267 ( -1.484 -0.549 -0.809) 1.777 5.267 ( -1.484 0.549 -0.809) 1.777 5.491 ( -0.768 -7.097 5.081) 8.762 5.491 ( -0.768 7.097 5.081) 8.762 5.546 ( -0.089 -9.116 -0.016) 9.116 5.546 ( -0.089 9.116 -0.016) 9.116 5.762 ( -0.510 -6.118 1.350) 6.286 5.762 ( -0.510 6.118 1.350) 6.286 5.816 ( 2.518 -4.340 -1.673) 5.289 5.816 ( 2.518 4.340 -1.673) 5.289 6.350 ( 0.675 -2.346 -0.939) 2.616 6.350 ( 0.675 2.346 -0.939) 2.616 6.457 ( -0.738 -1.490 -2.161) 2.727 6.457 ( -0.738 1.490 -2.161) 2.727 6.832 ( -2.731 -0.992 2.067) 3.566 6.832 ( -2.731 0.992 2.067) 3.566 6.897 ( 3.209 -2.580 -0.208) 4.123 6.897 ( 3.209 2.580 -0.208) 4.123 6.953 ( 0.204 -1.591 0.763) 1.777 6.953 ( 0.204 1.591 0.763) 1.777 7.034 ( -1.510 -1.767 -1.690) 2.874 7.034 ( -1.510 1.767 -1.690) 2.874 7.764 ( 0.432 -5.150 4.186) 6.650 7.764 ( 0.432 5.150 4.186) 6.650 7.850 ( 0.869 -4.996 -2.679) 5.735 7.850 ( 0.869 4.996 -2.679) 5.735 8.775 ( 0.106 -0.347 -0.684) 0.774 8.775 ( 0.106 0.347 -0.684) 0.774 8.935 ( 0.001 -0.498 0.602) 0.781 8.935 ( 0.001 0.498 0.602) 0.781 9.137 ( -0.006 -0.365 0.286) 0.464 9.137 ( -0.006 0.365 0.286) 0.464 9.205 ( -0.116 -0.930 0.666) 1.150 9.205 ( -0.116 0.930 0.666) 1.150 9.455 ( -1.171 -0.971 2.813) 3.198 9.455 ( -1.171 0.971 2.813) 3.198 9.480 ( 0.703 -0.935 0.544) 1.290 9.480 ( 0.703 0.935 0.544) 1.290 9.535 ( -2.057 -0.697 -3.378) 4.016 9.535 ( -2.057 0.697 -3.378) 4.016 9.690 ( 1.532 -0.344 -0.888) 1.804 9.690 ( 1.532 0.344 -0.888) 1.804 9.960 ( 1.695 -0.314 -0.576) 1.818 9.960 ( 1.695 0.314 -0.576) 1.818 10.141 ( -0.970 -0.345 -0.252) 1.060 10.141 ( -0.970 0.345 -0.252) 1.060 10.617 ( -1.341 -3.245 1.983) 4.032 10.617 ( -1.341 3.245 1.983) 4.032 10.650 ( 1.083 -2.745 -0.844) 3.069 10.650 ( 1.083 2.745 -0.844) 3.069 11.552 ( -0.295 -1.455 0.681) 1.633 11.552 ( -0.295 1.455 0.681) 1.633 11.606 ( 0.066 -0.967 -0.193) 0.988 11.606 ( 0.066 0.967 -0.193) 0.988 11.946 ( -0.524 -0.575 -0.135) 0.790 11.946 ( -0.524 0.575 -0.135) 0.790 11.997 ( 0.708 -0.413 -1.203) 1.456 11.997 ( 0.708 0.413 -1.203) 1.456 12.223 ( -0.559 -1.154 0.060) 1.284 12.223 ( -0.559 1.154 0.060) 1.284 12.315 ( 0.511 -0.695 0.149) 0.876 12.315 ( 0.511 0.695 0.149) 0.876 12.583 ( 0.301 -1.037 0.076) 1.083 12.583 ( 0.301 1.037 0.076) 1.083 12.646 ( -0.397 -0.389 -0.426) 0.700 12.646 ( -0.397 0.389 -0.426) 0.700 13.408 ( -0.092 -1.335 -0.058) 1.339 13.408 ( -0.092 1.335 -0.058) 1.339 13.431 ( 0.141 -1.375 0.033) 1.383 13.431 ( 0.141 1.375 0.033) 1.383 13.985 ( -0.013 -1.192 0.598) 1.334 13.985 ( -0.013 1.192 0.598) 1.334 14.043 ( -0.060 -0.904 -0.540) 1.055 14.043 ( -0.060 0.904 -0.540) 1.055 14.220 ( -0.963 -2.919 0.810) 3.178 14.220 ( -0.963 2.919 0.810) 3.178 14.311 ( 1.276 -1.846 -1.322) 2.604 14.311 ( 1.276 1.846 -1.322) 2.604 14.955 ( -2.136 -1.921 0.878) 3.004 14.955 ( -2.136 1.921 0.878) 3.004 15.020 ( 1.565 -1.742 -1.207) 2.635 15.020 ( 1.565 1.742 -1.207) 2.635 15.433 ( 0.045 -0.372 -0.311) 0.487 15.433 ( 0.045 0.372 -0.311) 0.487 15.493 ( 0.029 -0.573 -0.009) 0.574 15.493 ( 0.029 0.573 -0.009) 0.574 15.809 ( 1.904 -0.689 0.454) 2.075 15.809 ( 1.904 0.689 0.454) 2.075 15.895 ( -1.388 -0.664 0.451) 1.604 15.895 ( -1.388 0.664 0.451) 1.604 16.291 ( -0.130 -0.890 1.114) 1.432 16.291 ( -0.130 0.890 1.114) 1.432 16.345 ( -0.064 -1.245 -0.731) 1.445 16.345 ( -0.064 1.245 -0.731) 1.445 17.177 ( -0.189 -0.473 -0.409) 0.653 17.177 ( -0.189 0.473 -0.409) 0.653 17.218 ( 0.319 -0.361 0.027) 0.482 17.218 ( 0.319 0.361 0.027) 0.482 19.936 ( 1.310 -0.386 0.080) 1.368 19.936 ( 1.310 0.386 0.080) 1.368 20.019 ( -0.592 -0.344 -0.152) 0.702 20.019 ( -0.592 0.344 -0.152) 0.702 20.246 ( -1.970 -0.583 1.938) 2.824 20.246 ( -1.970 0.583 1.938) 2.824 20.513 ( 0.963 -1.155 0.005) 1.504 20.513 ( 0.963 1.155 0.005) 1.504 22.151 ( -0.152 -3.347 0.594) 3.403 22.151 ( -0.152 3.347 0.594) 3.403 22.167 ( 0.309 -3.307 -0.442) 3.351 22.167 ( 0.309 3.307 -0.442) 3.351 22.552 ( 0.488 -0.777 -0.479) 1.035 22.552 ( 0.488 0.777 -0.479) 1.035 22.723 ( -0.550 -0.459 0.164) 0.735 22.723 ( -0.550 0.459 0.164) 0.735 27.521 ( 0.928 -2.555 0.276) 2.733 27.521 ( 0.928 2.555 0.276) 2.733 27.612 ( -1.421 -3.120 -0.135) 3.431 27.612 ( -1.421 3.120 -0.135) 3.431 28.133 ( -0.092 -0.581 0.005) 0.588 28.133 ( -0.092 0.581 0.005) 0.588 28.265 ( 0.685 -1.039 1.279) 1.784 28.265 ( 0.685 1.039 1.279) 1.784 30.442 ( -0.186 -1.358 -0.267) 1.397 30.442 ( -0.186 1.358 -0.267) 1.397 30.531 ( -0.095 -0.433 -0.896) 1.000 30.531 ( -0.095 0.433 -0.896) 1.000 30.933 ( 1.209 -0.657 1.680) 2.172 30.933 ( 1.209 0.657 1.680) 2.172 31.004 ( -2.151 -0.557 -0.928) 2.408 31.004 ( -2.151 0.557 -0.928) 2.408 31.208 ( 1.209 -0.766 0.506) 1.518 31.208 ( 1.209 0.766 0.506) 1.518 31.504 ( 0.131 -1.058 2.908) 3.097 31.504 ( 0.131 1.058 2.908) 3.097 32.033 ( -0.787 -2.185 4.462) 5.030 32.033 ( -0.787 2.185 4.462) 5.030 32.289 ( 1.301 -2.407 6.427) 6.986 32.289 ( 1.301 2.407 6.427) 6.986 32.708 ( -1.747 -0.490 -2.687) 3.243 32.708 ( -1.747 0.490 -2.687) 3.243 33.076 ( 1.077 -0.393 -0.659) 1.323 33.076 ( 1.077 0.393 -0.659) 1.323 33.211 ( 0.081 -0.781 2.316) 2.445 33.211 ( 0.081 0.781 2.316) 2.445 33.353 ( -0.750 -0.253 0.776) 1.109 33.353 ( -0.750 0.253 0.776) 1.109 34.596 ( 1.164 -0.657 5.513) 5.672 34.596 ( 1.164 0.657 5.513) 5.672 34.740 ( 0.332 -0.669 -6.795) 6.836 34.740 ( 0.332 0.669 -6.795) 6.836 35.339 ( 0.400 -1.135 -1.650) 2.042 35.339 ( 0.400 1.135 -1.650) 2.042 35.438 ( 1.992 -1.494 -4.684) 5.305 35.438 ( 1.992 1.494 -4.684) 5.305 35.565 ( 2.699 -0.340 1.387) 3.054 35.565 ( 2.699 0.340 1.387) 3.054 35.675 ( -4.683 -1.207 -6.909) 8.433 35.675 ( -4.683 1.207 -6.909) 8.433 36.889 ( -3.766 -0.922 1.670) 4.222 36.889 ( -3.766 0.922 1.670) 4.222 37.074 ( 2.829 -2.014 0.017) 3.473 37.074 ( 2.829 2.014 0.017) 3.473 ======================= Grid point 111 (61/63) ======================= q-point: (-0.38 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.133 ( -3.213 -3.445 0.239) 4.717 1.133 ( -3.213 3.445 0.239) 4.717 1.206 ( -1.382 -1.327 0.381) 1.954 1.206 ( -1.382 1.327 0.381) 1.954 1.525 ( -2.715 -3.404 4.174) 6.032 1.525 ( -2.715 3.404 4.174) 6.032 1.654 ( -0.968 -1.904 -0.724) 2.255 1.654 ( -0.968 1.904 -0.724) 2.255 1.780 ( -5.420 -5.748 -0.941) 7.957 1.780 ( -5.420 5.748 -0.941) 7.957 2.049 ( -6.606 -6.890 -5.289) 10.912 2.049 ( -6.606 6.890 -5.289) 10.912 2.142 ( -3.229 -3.022 -0.492) 4.450 2.142 ( -3.229 3.022 -0.492) 4.450 2.269 ( 3.511 -2.565 3.425) 5.535 2.269 ( 3.511 2.565 3.425) 5.535 2.513 ( -0.368 -0.977 1.989) 2.246 2.513 ( -0.368 0.977 1.989) 2.246 2.643 ( -11.232 -3.294 4.078) 12.395 2.643 ( -11.232 3.294 4.078) 12.395 2.799 ( 3.349 -0.487 0.966) 3.519 2.799 ( 3.349 0.487 0.966) 3.519 2.956 ( -8.730 -2.937 0.984) 9.263 2.956 ( -8.730 2.937 0.984) 9.263 3.112 ( -0.548 -3.478 6.126) 7.066 3.112 ( -0.548 3.478 6.126) 7.066 3.217 ( -0.138 -1.366 -2.026) 2.448 3.217 ( -0.138 1.366 -2.026) 2.448 3.409 ( 5.284 -7.906 -2.912) 9.945 3.409 ( 5.284 7.906 -2.912) 9.945 3.536 ( -7.505 -7.048 -3.298) 10.811 3.536 ( -7.505 7.048 -3.298) 10.811 3.691 ( -6.379 -6.527 -3.254) 9.689 3.691 ( -6.379 6.527 -3.254) 9.689 3.897 ( -6.939 -5.497 -1.518) 8.982 3.897 ( -6.939 5.497 -1.518) 8.982 4.001 ( 0.699 -3.353 0.065) 3.426 4.001 ( 0.699 3.353 0.065) 3.426 4.183 ( -3.375 -2.985 1.977) 4.921 4.183 ( -3.375 2.985 1.977) 4.921 4.275 ( -0.469 -3.536 2.541) 4.379 4.275 ( -0.469 3.536 2.541) 4.379 4.401 ( 3.837 -5.155 0.214) 6.430 4.401 ( 3.837 5.155 0.214) 6.430 4.567 ( 2.506 -2.801 0.791) 3.841 4.567 ( 2.506 2.801 0.791) 3.841 4.721 ( 3.534 -3.304 0.644) 4.881 4.721 ( 3.534 3.304 0.644) 4.881 4.860 ( -2.472 -5.928 -4.314) 7.737 4.860 ( -2.472 5.928 -4.314) 7.737 4.988 ( 0.803 -4.497 2.107) 5.030 4.988 ( 0.803 4.497 2.107) 5.030 5.066 ( 6.603 -1.955 -1.184) 6.987 5.066 ( 6.603 1.955 -1.184) 6.987 5.341 ( 5.937 -2.198 1.735) 6.564 5.341 ( 5.937 2.198 1.735) 6.564 5.488 ( -1.551 -5.385 -0.560) 5.632 5.488 ( -1.551 5.385 -0.560) 5.632 5.583 ( 2.411 -5.003 -0.565) 5.582 5.583 ( 2.411 5.003 -0.565) 5.582 5.731 ( -3.517 -4.900 0.539) 6.055 5.731 ( -3.517 4.900 0.539) 6.055 5.830 ( 2.457 -4.853 -3.120) 6.271 5.830 ( 2.457 4.853 -3.120) 6.271 6.319 ( -2.703 -4.261 -0.303) 5.055 6.319 ( -2.703 4.261 -0.303) 5.055 6.411 ( -3.604 -2.152 1.469) 4.447 6.411 ( -3.604 2.152 1.469) 4.447 6.759 ( -4.422 -2.551 2.008) 5.486 6.759 ( -4.422 2.551 2.008) 5.486 6.938 ( -2.109 -1.462 -1.268) 2.862 6.938 ( -2.109 1.462 -1.268) 2.862 6.990 ( 5.532 -1.619 -2.935) 6.469 6.990 ( 5.532 1.619 -2.935) 6.469 7.047 ( 1.879 -2.230 3.046) 4.217 7.047 ( 1.879 2.230 3.046) 4.217 7.850 ( 7.301 -3.868 -1.728) 8.441 7.850 ( 7.301 3.868 -1.728) 8.441 7.911 ( 8.728 -4.277 -0.312) 9.725 7.911 ( 8.728 4.277 -0.312) 9.725 8.761 ( -0.933 -1.120 -0.133) 1.463 8.761 ( -0.933 1.120 -0.133) 1.463 8.943 ( 0.339 -0.564 -0.086) 0.663 8.943 ( 0.339 0.564 -0.086) 0.663 9.106 ( -2.948 -2.246 0.429) 3.730 9.106 ( -2.948 2.246 0.429) 3.730 9.194 ( -2.644 -0.746 -0.420) 2.779 9.194 ( -2.644 0.746 -0.420) 2.779 9.369 ( -4.842 -1.723 1.188) 5.275 9.369 ( -4.842 1.723 1.188) 5.275 9.492 ( -1.886 -1.768 1.582) 3.031 9.492 ( -1.886 1.768 1.582) 3.031 9.647 ( 9.396 -1.089 -1.438) 9.568 9.647 ( 9.396 1.089 -1.438) 9.568 9.726 ( 4.356 -2.854 0.140) 5.210 9.726 ( 4.356 2.854 0.140) 5.210 9.962 ( 3.378 -4.147 -1.246) 5.492 9.962 ( 3.378 4.147 -1.246) 5.492 10.198 ( 5.317 -1.693 0.624) 5.615 10.198 ( 5.317 1.693 0.624) 5.615 10.611 ( -0.539 -2.588 0.945) 2.807 10.611 ( -0.539 2.588 0.945) 2.807 10.678 ( 2.758 -3.225 -0.775) 4.314 10.678 ( 2.758 3.225 -0.775) 4.314 11.512 ( -5.434 -1.039 -0.300) 5.540 11.512 ( -5.434 1.039 -0.300) 5.540 11.567 ( -4.162 -1.215 0.605) 4.378 11.567 ( -4.162 1.215 0.605) 4.378 11.951 ( 0.376 -1.445 0.914) 1.751 11.951 ( 0.376 1.445 0.914) 1.751 12.020 ( 3.098 -0.496 -0.981) 3.287 12.020 ( 3.098 0.496 -0.981) 3.287 12.198 ( -2.696 -0.921 0.791) 2.957 12.198 ( -2.696 0.921 0.791) 2.957 12.284 ( -2.253 -0.195 -0.838) 2.411 12.284 ( -2.253 0.195 -0.838) 2.411 12.587 ( 0.461 -3.311 0.294) 3.356 12.587 ( 0.461 3.311 0.294) 3.356 12.676 ( 2.270 -3.019 0.041) 3.777 12.676 ( 2.270 3.019 0.041) 3.777 13.369 ( -4.113 -3.093 0.031) 5.146 13.369 ( -4.113 3.093 0.031) 5.146 13.408 ( -2.862 -3.256 -0.080) 4.336 13.408 ( -2.862 3.256 -0.080) 4.336 13.932 ( -3.860 -3.654 -0.071) 5.315 13.932 ( -3.860 3.654 -0.071) 5.315 13.997 ( -3.378 -4.972 0.197) 6.014 13.997 ( -3.378 4.972 0.197) 6.014 14.293 ( 5.509 -5.862 1.217) 8.136 14.293 ( 5.509 5.862 1.217) 8.136 14.365 ( 5.235 -1.919 -1.625) 5.808 14.365 ( 5.235 1.919 -1.625) 5.808 14.948 ( -2.179 -5.014 2.553) 6.034 14.948 ( -2.179 5.014 2.553) 6.034 15.068 ( 5.879 -6.064 -1.597) 8.596 15.068 ( 5.879 6.064 -1.597) 8.596 15.356 ( -6.572 -2.466 0.121) 7.021 15.356 ( -6.572 2.466 0.121) 7.021 15.461 ( -4.937 -2.439 -0.346) 5.518 15.461 ( -4.937 2.439 -0.346) 5.518 15.739 ( -5.449 -2.367 -1.447) 6.114 15.739 ( -5.449 2.367 -1.447) 6.114 15.926 ( 1.161 -4.699 0.408) 4.857 15.926 ( 1.161 4.699 0.408) 4.857 16.292 ( -0.002 -0.890 -0.346) 0.954 16.292 ( -0.002 0.890 -0.346) 0.954 16.378 ( 2.941 -0.598 0.579) 3.057 16.378 ( 2.941 0.598 0.579) 3.057 17.166 ( -0.735 -0.445 0.217) 0.886 17.166 ( -0.735 0.445 0.217) 0.886 17.223 ( 0.376 -0.979 -0.354) 1.107 17.223 ( 0.376 0.979 -0.354) 1.107 19.822 ( -7.739 -2.185 -0.855) 8.086 19.822 ( -7.739 2.185 -0.855) 8.086 20.048 ( -3.059 -1.652 -0.011) 3.476 20.048 ( -3.059 1.652 -0.011) 3.476 20.287 ( 5.678 -0.800 1.970) 6.063 20.287 ( 5.678 0.800 1.970) 6.063 20.581 ( 6.625 -0.386 -1.126) 6.732 20.581 ( 6.625 0.386 -1.126) 6.732 22.023 ( -12.013 -1.957 -0.799) 12.198 22.023 ( -12.013 1.957 -0.799) 12.198 22.092 ( -7.665 -0.653 0.633) 7.719 22.092 ( -7.665 0.653 0.633) 7.719 22.653 ( 9.390 -1.547 -0.986) 9.568 22.653 ( 9.390 1.547 -0.986) 9.568 22.795 ( 7.203 -0.740 1.092) 7.323 22.795 ( 7.203 0.740 1.092) 7.323 27.233 ( -21.818 -4.435 0.168) 22.265 27.233 ( -21.818 4.435 0.168) 22.265 27.512 ( -15.141 -13.844 -0.197) 20.517 27.512 ( -15.141 13.844 -0.197) 20.517 28.361 ( 21.704 -3.881 0.767) 22.061 28.361 ( 21.704 3.881 0.767) 22.061 28.453 ( 17.490 -5.206 -1.324) 18.296 28.453 ( 17.490 5.206 -1.324) 18.296 30.375 ( -7.406 -3.884 0.291) 8.368 30.375 ( -7.406 3.884 0.291) 8.368 30.499 ( -2.748 -2.052 0.477) 3.463 30.499 ( -2.748 2.052 0.477) 3.463 30.868 ( -6.527 -1.012 -0.401) 6.617 30.868 ( -6.527 1.012 -0.401) 6.617 30.988 ( -3.489 -1.627 0.623) 3.900 30.988 ( -3.489 1.627 0.623) 3.900 31.248 ( 5.076 -4.308 -0.885) 6.717 31.248 ( 5.076 4.308 -0.885) 6.717 31.584 ( 6.658 -3.515 -0.930) 7.586 31.584 ( 6.658 3.515 -0.930) 7.586 31.975 ( -6.250 -7.946 0.369) 10.116 31.975 ( -6.250 7.946 0.369) 10.116 32.407 ( 5.476 -10.918 -5.188) 13.270 32.407 ( 5.476 10.918 -5.188) 13.270 32.680 ( -0.474 -1.213 4.547) 4.730 32.680 ( -0.474 1.213 4.547) 4.730 32.983 ( -8.322 -0.391 -2.172) 8.610 32.983 ( -8.322 0.391 -2.172) 8.610 33.242 ( 5.299 -5.924 0.136) 7.950 33.242 ( 5.299 5.924 0.136) 7.950 33.483 ( 10.002 -0.840 0.014) 10.037 33.483 ( 10.002 0.840 0.014) 10.037 34.626 ( -1.329 -0.820 -6.552) 6.735 34.626 ( -1.329 0.820 -6.552) 6.735 34.687 ( -0.225 -0.481 3.820) 3.856 34.687 ( -0.225 0.481 3.820) 3.856 35.324 ( -0.585 -0.666 -0.563) 1.050 35.324 ( -0.585 0.666 -0.563) 1.050 35.394 ( -1.430 -1.143 -1.396) 2.302 35.394 ( -1.430 1.143 -1.396) 2.302 35.542 ( -2.797 -1.808 -3.987) 5.195 35.542 ( -2.797 1.808 -3.987) 5.195 35.685 ( 3.338 -0.755 8.844) 9.483 35.685 ( 3.338 0.755 8.844) 9.483 36.618 ( -19.150 -7.342 3.022) 20.731 36.618 ( -19.150 7.342 3.022) 20.731 37.380 ( 21.763 -8.875 -1.288) 23.538 37.380 ( 21.763 8.875 -1.288) 23.538 ======================= Grid point 113 (62/63) ======================= q-point: (-0.25 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( -4.037 -3.591 3.199) 6.280 1.086 ( -4.037 3.591 3.199) 6.280 1.189 ( -1.968 -1.690 1.701) 3.102 1.189 ( -1.968 1.690 1.701) 3.102 1.367 ( -11.217 -6.775 0.330) 13.109 1.367 ( -11.217 6.775 0.330) 13.109 1.686 ( -7.209 -7.164 4.587) 11.150 1.686 ( -7.209 7.164 4.587) 11.150 1.746 ( 2.681 -2.825 4.960) 6.306 1.746 ( 2.681 2.825 4.960) 6.306 1.917 ( -3.879 -2.613 2.122) 5.136 1.917 ( -3.879 2.613 2.122) 5.136 2.103 ( -1.149 -13.385 -2.402) 13.648 2.103 ( -1.149 13.385 -2.402) 13.648 2.380 ( -1.874 -2.686 1.442) 3.579 2.380 ( -1.874 2.686 1.442) 3.579 2.429 ( -6.732 -5.631 1.610) 8.923 2.429 ( -6.732 5.631 1.610) 8.923 2.562 ( 3.181 -3.893 -0.969) 5.120 2.562 ( 3.181 3.893 -0.969) 5.120 2.757 ( -5.243 -4.020 1.475) 6.770 2.757 ( -5.243 4.020 1.475) 6.770 2.945 ( -1.063 -2.867 1.469) 3.392 2.945 ( -1.063 2.867 1.469) 3.392 3.106 ( -10.753 -5.608 2.192) 12.324 3.106 ( -10.753 5.608 2.192) 12.324 3.190 ( -1.951 -3.982 -2.853) 5.273 3.190 ( -1.951 3.982 -2.853) 5.273 3.305 ( -3.492 -4.607 5.361) 7.884 3.305 ( -3.492 4.607 5.361) 7.884 3.484 ( -6.838 -5.569 4.904) 10.091 3.484 ( -6.838 5.569 4.904) 10.091 3.553 ( -3.097 -1.651 -4.664) 5.837 3.553 ( -3.097 1.651 -4.664) 5.837 3.779 ( -1.027 -2.171 -1.329) 2.745 3.779 ( -1.027 2.171 -1.329) 2.745 3.987 ( -1.927 -4.947 -5.453) 7.610 3.987 ( -1.927 4.947 -5.453) 7.610 4.138 ( -1.756 -3.239 1.317) 3.912 4.138 ( -1.756 3.239 1.317) 3.912 4.322 ( 1.954 -6.220 2.276) 6.905 4.322 ( 1.954 6.220 2.276) 6.905 4.442 ( 1.471 -10.026 0.735) 10.160 4.442 ( 1.471 10.026 0.735) 10.160 4.640 ( 0.946 -5.081 3.677) 6.342 4.640 ( 0.946 5.081 3.677) 6.342 4.734 ( 1.169 -5.472 -5.760) 8.030 4.734 ( 1.169 5.472 -5.760) 8.030 4.858 ( 4.229 -2.899 2.730) 5.809 4.858 ( 4.229 2.899 2.730) 5.809 5.055 ( 4.802 -3.679 -1.164) 6.160 5.055 ( 4.802 3.679 -1.164) 6.160 5.134 ( 3.057 -2.791 -2.905) 5.057 5.134 ( 3.057 2.791 -2.905) 5.057 5.384 ( 0.094 -1.635 -4.140) 4.452 5.384 ( 0.094 1.635 -4.140) 4.452 5.445 ( -1.989 -4.886 -1.540) 5.496 5.445 ( -1.989 4.886 -1.540) 5.496 5.578 ( 1.595 -3.994 -2.394) 4.922 5.578 ( 1.595 3.994 -2.394) 4.922 5.687 ( -2.275 -2.269 -1.378) 3.496 5.687 ( -2.275 2.269 -1.378) 3.496 5.847 ( 3.180 -5.954 -0.904) 6.810 5.847 ( 3.180 5.954 -0.904) 6.810 6.287 ( -3.366 -2.837 3.110) 5.389 6.287 ( -3.366 2.837 3.110) 5.389 6.386 ( -0.469 -3.912 1.419) 4.188 6.386 ( -0.469 3.912 1.419) 4.188 6.750 ( -1.498 -2.529 3.331) 4.442 6.750 ( -1.498 2.529 3.331) 4.442 6.843 ( -5.718 -2.436 -2.714) 6.782 6.843 ( -5.718 2.436 -2.714) 6.782 7.025 ( 3.659 -2.611 -2.493) 5.141 7.025 ( 3.659 2.611 -2.493) 5.141 7.121 ( 1.936 -6.136 2.697) 6.977 7.121 ( 1.936 6.136 2.697) 6.977 8.015 ( 14.712 -5.691 -1.807) 15.878 8.015 ( 14.712 5.691 -1.807) 15.878 8.101 ( 12.625 -5.492 -0.011) 13.768 8.101 ( 12.625 5.492 -0.011) 13.768 8.745 ( -0.723 -2.650 -0.006) 2.747 8.745 ( -0.723 2.650 -0.006) 2.747 8.939 ( -0.203 -1.352 -0.681) 1.528 8.939 ( -0.203 1.352 -0.681) 1.528 9.065 ( -3.331 -1.334 1.127) 3.761 9.065 ( -3.331 1.334 1.127) 3.761 9.117 ( -4.172 -2.117 -0.811) 4.748 9.117 ( -4.172 2.117 -0.811) 4.748 9.309 ( -5.782 -1.381 2.012) 6.276 9.309 ( -5.782 1.381 2.012) 6.276 9.430 ( -5.053 -1.403 -2.076) 5.640 9.430 ( -5.053 1.403 -2.076) 5.640 9.707 ( 2.616 -1.694 0.666) 3.187 9.707 ( 2.616 1.694 0.666) 3.187 9.900 ( 11.143 -3.045 0.689) 11.572 9.900 ( 11.143 3.045 0.689) 11.572 10.105 ( 12.073 -5.261 0.475) 13.178 10.105 ( 12.073 5.261 0.475) 13.178 10.288 ( 5.078 -2.910 -0.980) 5.935 10.288 ( 5.078 2.910 -0.980) 5.935 10.635 ( 2.303 -2.215 0.423) 3.223 10.635 ( 2.303 2.215 0.423) 3.223 10.727 ( 4.316 -2.078 -0.807) 4.858 10.727 ( 4.316 2.078 -0.807) 4.858 11.363 ( -9.855 -0.693 -0.817) 9.913 11.363 ( -9.855 0.693 -0.817) 9.913 11.477 ( -8.069 -2.278 1.088) 8.455 11.477 ( -8.069 2.278 1.088) 8.455 11.965 ( -1.518 -1.962 1.804) 3.068 11.965 ( -1.518 1.962 1.804) 3.068 12.054 ( 2.278 -1.589 -1.539) 3.175 12.054 ( 2.278 1.589 -1.539) 3.175 12.167 ( -1.460 -1.487 1.222) 2.415 12.167 ( -1.460 1.487 1.222) 2.415 12.266 ( 2.314 -2.892 -1.317) 3.931 12.266 ( 2.314 2.892 -1.317) 3.931 12.606 ( -0.217 -5.013 1.539) 5.248 12.606 ( -0.217 5.013 1.539) 5.248 12.688 ( -0.101 -4.418 -0.814) 4.494 12.688 ( -0.101 4.418 -0.814) 4.494 13.273 ( -6.775 -2.330 -0.080) 7.165 13.273 ( -6.775 2.330 -0.080) 7.165 13.331 ( -5.900 -1.476 -0.115) 6.083 13.331 ( -5.900 1.476 -0.115) 6.083 13.917 ( 2.737 -5.000 0.384) 5.713 13.917 ( 2.737 5.000 0.384) 5.713 13.981 ( 2.393 -6.210 -0.380) 6.667 13.981 ( 2.393 6.210 -0.380) 6.667 14.369 ( 0.037 -7.173 1.885) 7.417 14.369 ( 0.037 7.173 1.885) 7.417 14.419 ( 2.728 -0.628 -1.386) 3.124 14.419 ( 2.728 0.628 -1.386) 3.124 14.908 ( -7.295 -9.015 3.731) 12.182 14.908 ( -7.295 9.015 3.731) 12.182 15.109 ( -4.029 -5.827 -1.997) 7.360 15.109 ( -4.029 5.827 -1.997) 7.360 15.263 ( -3.555 -2.898 0.832) 4.662 15.263 ( -3.555 2.898 0.832) 4.662 15.354 ( -0.847 -0.891 -2.987) 3.230 15.354 ( -0.847 0.891 -2.987) 3.230 15.658 ( -1.606 -1.421 -0.372) 2.177 15.658 ( -1.606 1.421 -0.372) 2.177 15.909 ( -1.166 -1.455 -2.624) 3.219 15.909 ( -1.166 1.455 -2.624) 3.219 16.278 ( -1.133 -0.354 -0.586) 1.324 16.278 ( -1.133 0.354 -0.586) 1.324 16.416 ( -0.045 -4.446 -0.718) 4.504 16.416 ( -0.045 4.446 -0.718) 4.504 17.160 ( -0.212 -0.780 0.288) 0.858 17.160 ( -0.212 0.780 0.288) 0.858 17.222 ( -0.118 -1.120 -0.110) 1.131 17.222 ( -0.118 1.120 -0.110) 1.131 19.695 ( -5.115 -2.985 -1.414) 6.089 19.695 ( -5.115 2.985 -1.414) 6.089 19.936 ( -7.328 -1.666 -1.022) 7.584 19.936 ( -7.328 1.666 -1.022) 7.584 20.439 ( 7.973 -0.184 1.308) 8.082 20.439 ( 7.973 0.184 1.308) 8.082 20.688 ( 7.009 -0.649 -1.217) 7.143 20.688 ( 7.009 0.649 -1.217) 7.143 21.799 ( -11.851 -1.465 0.001) 11.942 21.799 ( -11.851 1.465 0.001) 11.942 21.949 ( -9.068 -0.495 0.461) 9.093 21.949 ( -9.068 0.495 0.461) 9.093 22.794 ( 8.369 -1.710 -1.736) 8.716 22.794 ( 8.369 1.710 -1.736) 8.716 22.969 ( 9.987 -1.371 2.153) 10.308 22.969 ( 9.987 1.371 2.153) 10.308 26.882 ( -18.907 -2.562 0.899) 19.101 26.882 ( -18.907 2.562 0.899) 19.101 27.145 ( -23.144 -13.531 -3.579) 27.047 27.145 ( -23.144 13.531 -3.579) 27.047 28.749 ( 20.871 -8.217 0.266) 22.432 28.749 ( 20.871 8.217 0.266) 22.432 28.799 ( 22.943 -5.006 -0.018) 23.483 28.799 ( 22.943 5.006 -0.018) 23.483 30.207 ( -12.840 -7.615 1.530) 15.007 30.207 ( -12.840 7.615 1.530) 15.007 30.469 ( -1.943 -3.455 1.507) 4.241 30.469 ( -1.943 3.455 1.507) 4.241 30.732 ( -7.732 -5.358 -1.728) 9.564 30.732 ( -7.732 5.358 -1.728) 9.564 30.882 ( -6.236 -5.637 -2.185) 8.685 30.882 ( -6.236 5.637 -2.185) 8.685 31.350 ( 5.278 -4.034 0.872) 6.700 31.350 ( 5.278 4.034 0.872) 6.700 31.689 ( 7.823 -2.498 -2.293) 8.526 31.689 ( 7.823 2.498 -2.293) 8.526 31.920 ( 0.942 -6.097 -0.236) 6.174 31.920 ( 0.942 6.097 -0.236) 6.174 32.301 ( -2.274 -8.188 -12.257) 14.915 32.301 ( -2.274 8.188 -12.257) 14.915 32.667 ( -10.457 -3.133 1.043) 10.966 32.667 ( -10.457 3.133 1.043) 10.966 32.844 ( 2.689 -7.283 -12.720) 14.902 32.844 ( 2.689 7.283 -12.720) 14.902 33.329 ( 6.904 -7.589 -6.899) 12.363 33.329 ( 6.904 7.589 -6.899) 12.363 33.622 ( 7.995 -1.388 -3.878) 8.994 33.622 ( 7.995 1.388 -3.878) 8.994 34.529 ( -0.495 -0.158 -2.073) 2.137 34.529 ( -0.495 0.158 -2.073) 2.137 34.729 ( -1.790 -0.942 4.890) 5.292 34.729 ( -1.790 0.942 4.890) 5.292 35.307 ( -1.764 -1.344 1.389) 2.617 35.307 ( -1.764 1.344 1.389) 2.617 35.376 ( -1.774 -3.351 2.076) 4.323 35.376 ( -1.774 3.351 2.076) 4.323 35.465 ( -2.763 -1.194 0.161) 3.014 35.465 ( -2.763 1.194 0.161) 3.014 35.879 ( 3.042 -2.350 7.211) 8.172 35.879 ( 3.042 2.350 7.211) 8.172 36.474 ( -7.914 -12.442 20.133) 24.955 36.474 ( -7.914 12.442 20.133) 24.955 37.703 ( 19.261 -10.598 -4.774) 22.496 37.703 ( 19.261 10.598 -4.774) 22.496 ======================= Grid point 115 (63/63) ======================= q-point: (-0.12 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 8.58e-05 8.58e-05 8.58e-05 8.58e-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 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -2.138 -5.061 2.602) 6.079 1.073 ( -2.138 5.061 2.602) 6.079 1.168 ( -1.359 -1.892 -1.003) 2.536 1.168 ( -1.359 1.892 -1.003) 2.536 1.349 ( -0.978 -11.367 12.459) 16.893 1.349 ( -0.978 11.367 12.459) 16.893 1.624 ( -7.353 -7.776 6.549) 12.547 1.624 ( -7.353 7.776 6.549) 12.547 1.784 ( -0.572 -2.993 -1.218) 3.282 1.784 ( -0.572 2.993 -1.218) 3.282 1.960 ( 0.690 -3.027 5.673) 6.467 1.960 ( 0.690 3.027 5.673) 6.467 2.034 ( -1.631 -15.428 -2.130) 15.660 2.034 ( -1.631 15.428 -2.130) 15.660 2.231 ( -1.358 -3.396 -2.295) 4.318 2.231 ( -1.358 3.396 -2.295) 4.318 2.461 ( -3.747 -6.530 5.129) 9.109 2.461 ( -3.747 6.530 5.129) 9.109 2.594 ( -4.885 -6.715 -0.778) 8.341 2.594 ( -4.885 6.715 -0.778) 8.341 2.756 ( 4.668 -5.966 2.320) 7.922 2.756 ( 4.668 5.966 2.320) 7.922 2.846 ( -4.723 -5.177 0.703) 7.043 2.846 ( -4.723 5.177 0.703) 7.043 2.999 ( -2.555 -8.256 -0.043) 8.642 2.999 ( -2.555 8.256 -0.043) 8.642 3.180 ( -6.191 -6.540 2.756) 9.418 3.180 ( -6.191 6.540 2.756) 9.418 3.217 ( -3.227 -6.095 -2.051) 7.195 3.217 ( -3.227 6.095 -2.051) 7.195 3.409 ( -4.411 -2.938 0.337) 5.311 3.409 ( -4.411 2.938 0.337) 5.311 3.532 ( -2.627 -2.939 -2.061) 4.448 3.532 ( -2.627 2.939 -2.061) 4.448 3.755 ( -3.750 -5.941 2.433) 7.435 3.755 ( -3.750 5.941 2.433) 7.435 3.870 ( -0.277 -4.802 -0.371) 4.825 3.870 ( -0.277 4.802 -0.371) 4.825 4.174 ( 2.790 -3.790 2.528) 5.342 4.174 ( 2.790 3.790 2.528) 5.342 4.401 ( 5.059 -4.897 -0.700) 7.076 4.401 ( 5.059 4.897 -0.700) 7.076 4.485 ( 0.769 -6.261 1.734) 6.542 4.485 ( 0.769 6.261 1.734) 6.542 4.601 ( -1.124 -3.094 -4.647) 5.695 4.601 ( -1.124 3.094 -4.647) 5.695 4.760 ( 1.341 -5.256 -0.209) 5.429 4.760 ( 1.341 5.256 -0.209) 5.429 4.929 ( 2.015 -1.678 -1.199) 2.883 4.929 ( 2.015 1.678 -1.199) 2.883 5.067 ( -0.342 -6.729 -2.756) 7.279 5.067 ( -0.342 6.729 -2.756) 7.279 5.133 ( 0.232 -6.155 -1.601) 6.364 5.133 ( 0.232 6.155 -1.601) 6.364 5.321 ( 2.300 -6.794 -5.569) 9.081 5.321 ( 2.300 6.794 -5.569) 9.081 5.406 ( 1.372 -6.481 -2.532) 7.092 5.406 ( 1.372 6.481 -2.532) 7.092 5.600 ( -0.309 -1.957 2.131) 2.910 5.600 ( -0.309 1.957 2.131) 2.910 5.626 ( 0.812 -4.816 -3.699) 6.127 5.626 ( 0.812 4.816 -3.699) 6.127 5.874 ( -0.120 -5.932 -0.856) 5.995 5.874 ( -0.120 5.932 -0.856) 5.995 6.251 ( -4.268 -2.896 2.640) 5.794 6.251 ( -4.268 2.896 2.640) 5.794 6.435 ( 2.131 -4.148 1.036) 4.777 6.435 ( 2.131 4.148 1.036) 4.777 6.712 ( -2.914 -1.991 -1.074) 3.689 6.712 ( -2.914 1.991 -1.074) 3.689 6.763 ( -2.764 -1.503 2.139) 3.805 6.763 ( -2.764 1.503 2.139) 3.805 7.085 ( 4.598 -1.547 0.160) 4.854 7.085 ( 4.598 1.547 0.160) 4.854 7.171 ( 0.553 -5.195 1.772) 5.517 7.171 ( 0.553 5.195 1.772) 5.517 8.275 ( 14.489 -6.093 0.275) 15.720 8.275 ( 14.489 6.093 0.275) 15.720 8.320 ( 12.179 -3.986 -0.433) 12.822 8.320 ( 12.179 3.986 -0.433) 12.822 8.741 ( 0.682 -4.468 -0.097) 4.521 8.741 ( 0.682 4.468 -0.097) 4.521 8.922 ( -2.116 -1.031 0.226) 2.364 8.922 ( -2.116 1.031 0.226) 2.364 8.981 ( -5.959 -0.345 -0.274) 5.976 8.981 ( -5.959 0.345 -0.274) 5.976 9.068 ( -1.223 -3.004 -0.868) 3.358 9.068 ( -1.223 3.004 -0.868) 3.358 9.208 ( -7.647 -1.801 2.223) 8.165 9.208 ( -7.647 1.801 2.223) 8.165 9.316 ( -3.471 -1.154 -3.228) 4.879 9.316 ( -3.471 1.154 -3.228) 4.879 9.772 ( 1.655 -2.626 3.082) 4.374 9.772 ( 1.655 2.626 3.082) 4.374 10.051 ( 6.439 -3.691 -2.885) 7.963 10.051 ( 6.439 3.691 -2.885) 7.963 10.320 ( 10.955 -5.389 0.125) 12.210 10.320 ( 10.955 5.389 0.125) 12.210 10.363 ( 5.186 -3.803 -0.309) 6.438 10.363 ( 5.186 3.803 -0.309) 6.438 10.691 ( 2.368 -2.792 1.561) 3.980 10.691 ( 2.368 2.792 1.561) 3.980 10.796 ( 4.693 -4.380 -1.932) 6.703 10.796 ( 4.693 4.380 -1.932) 6.703 11.193 ( -7.923 -3.425 -0.240) 8.635 11.193 ( -7.923 3.425 -0.240) 8.635 11.321 ( -9.815 -4.387 0.102) 10.751 11.321 ( -9.815 4.387 0.102) 10.751 11.935 ( -3.429 -0.519 1.323) 3.711 11.935 ( -3.429 0.519 1.323) 3.711 12.049 ( -1.039 -1.000 -1.520) 2.095 12.049 ( -1.039 1.000 -1.520) 2.095 12.209 ( 3.297 -2.916 2.626) 5.125 12.209 ( 3.297 2.916 2.626) 5.125 12.313 ( 4.572 -3.950 -1.891) 6.331 12.313 ( 4.572 3.950 -1.891) 6.331 12.603 ( -1.505 -4.151 0.735) 4.477 12.603 ( -1.505 4.151 0.735) 4.477 12.675 ( -0.110 -2.359 -0.417) 2.398 12.675 ( -0.110 2.359 -0.417) 2.398 13.156 ( -5.723 -1.039 -0.137) 5.818 13.156 ( -5.723 1.039 -0.137) 5.818 13.218 ( -6.183 -1.119 0.007) 6.283 13.218 ( -6.183 1.119 0.007) 6.283 14.018 ( 6.625 -2.693 0.630) 7.179 14.018 ( 6.625 2.693 0.630) 7.179 14.075 ( 8.886 -3.656 -0.704) 9.635 14.075 ( 8.886 3.656 -0.704) 9.635 14.334 ( -5.362 -5.609 0.522) 7.777 14.334 ( -5.362 5.609 0.522) 7.777 14.415 ( -1.707 -2.627 0.417) 3.160 14.415 ( -1.707 2.627 0.417) 3.160 14.785 ( -11.941 -11.227 3.260) 16.710 14.785 ( -11.941 11.227 3.260) 16.710 14.919 ( -10.515 -3.895 -2.233) 11.434 14.919 ( -10.515 3.895 -2.233) 11.434 15.174 ( -5.564 -2.895 1.493) 6.447 15.174 ( -5.564 2.895 1.493) 6.447 15.423 ( 9.796 -9.642 -5.587) 14.837 15.423 ( 9.796 9.642 -5.587) 14.837 15.676 ( 2.646 -0.779 0.327) 2.778 15.676 ( 2.646 0.779 0.327) 2.778 15.842 ( -0.649 -5.151 -4.764) 7.046 15.842 ( -0.649 5.151 -4.764) 7.046 16.241 ( -2.104 -0.282 -0.190) 2.131 16.241 ( -2.104 0.282 -0.190) 2.131 16.334 ( -6.528 -2.352 -1.653) 7.133 16.334 ( -6.528 2.352 -1.653) 7.133 17.166 ( 0.420 -0.665 0.216) 0.816 17.166 ( 0.420 0.665 0.216) 0.816 17.222 ( 0.010 -0.834 0.420) 0.934 17.222 ( 0.010 0.834 0.420) 0.934 19.615 ( -1.998 -2.468 -1.350) 3.451 19.615 ( -1.998 2.468 -1.350) 3.451 19.817 ( -4.422 -0.774 -0.666) 4.538 19.817 ( -4.422 0.774 -0.666) 4.538 20.566 ( 4.677 -0.584 0.952) 4.808 20.566 ( 4.677 0.584 0.952) 4.808 20.777 ( 4.506 -0.416 -0.986) 4.631 20.777 ( 4.506 0.416 -0.986) 4.631 21.651 ( -6.020 -1.182 1.661) 6.356 21.651 ( -6.020 1.182 1.661) 6.356 21.810 ( -6.688 -1.034 -0.222) 6.771 21.810 ( -6.688 1.034 -0.222) 6.771 22.888 ( 4.888 -0.572 -1.861) 5.261 22.888 ( 4.888 0.572 -1.861) 5.261 23.159 ( 8.026 -0.796 1.401) 8.186 23.159 ( 8.026 0.796 1.401) 8.186 26.618 ( -12.167 -0.920 -0.015) 12.202 26.618 ( -12.167 0.920 -0.015) 12.202 26.722 ( -17.946 -4.590 -1.815) 18.612 26.722 ( -17.946 4.590 -1.815) 18.612 29.102 ( 18.507 -5.775 -0.031) 19.387 29.102 ( 18.507 5.775 -0.031) 19.387 29.159 ( 16.745 -2.685 1.745) 17.048 29.159 ( 16.745 2.685 1.745) 17.048 29.996 ( -15.291 -10.894 5.077) 19.449 29.996 ( -15.291 10.894 5.077) 19.449 30.467 ( -0.147 -3.547 0.048) 3.550 30.467 ( -0.147 3.547 0.048) 3.550 30.565 ( -6.189 -3.655 -5.008) 8.760 30.565 ( -6.189 3.655 -5.008) 8.760 30.751 ( -4.485 -6.655 -3.217) 8.646 30.751 ( -4.485 6.655 -3.217) 8.646 31.419 ( -0.052 -5.134 3.208) 6.054 31.419 ( -0.052 5.134 3.208) 6.054 31.810 ( 10.144 -3.103 -4.433) 11.498 31.810 ( 10.144 3.103 -4.433) 11.498 31.986 ( 4.965 -4.111 -0.841) 6.500 31.986 ( 4.965 4.111 -0.841) 6.500 32.077 ( 0.139 -14.427 -17.039) 22.326 32.077 ( 0.139 14.427 -17.039) 22.326 32.445 ( -13.788 -1.007 -0.057) 13.825 32.445 ( -13.788 1.007 -0.057) 13.825 32.596 ( -5.370 -11.891 -19.918) 23.811 32.596 ( -5.370 11.891 -19.918) 23.811 33.339 ( 1.974 -2.260 -0.988) 3.159 33.339 ( 1.974 2.260 -0.988) 3.159 33.656 ( 3.785 -2.176 -6.397) 7.745 33.656 ( 3.785 2.176 -6.397) 7.745 34.579 ( 3.843 -0.244 2.688) 4.696 34.579 ( 3.843 0.244 2.688) 4.696 34.744 ( -2.368 -1.596 3.292) 4.358 34.744 ( -2.368 1.596 3.292) 4.358 35.301 ( -1.156 -2.380 1.631) 3.109 35.301 ( -1.156 2.380 1.631) 3.109 35.352 ( -1.612 -4.556 -0.638) 4.875 35.352 ( -1.612 4.556 -0.638) 4.875 35.479 ( -0.777 -0.593 6.492) 6.566 35.479 ( -0.777 0.593 6.492) 6.566 35.869 ( -2.278 -1.232 -4.873) 5.519 35.869 ( -2.278 1.232 -4.873) 5.519 36.872 ( 6.420 -22.561 32.777) 40.305 36.872 ( 6.420 22.561 32.777) 40.305 37.904 ( 12.555 -11.654 -7.722) 18.790 37.904 ( 12.555 11.654 -7.722) 18.790 =================== 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 3/34560 10.0 14.592 13.198 11.543 0.000 -1.198 0.000 3/34560 20.0 3.402 2.854 2.841 0.000 -0.088 0.000 3/34560 30.0 1.857 1.478 1.493 0.000 -0.006 0.000 3/34560 40.0 1.330 1.025 1.026 0.000 0.008 0.000 3/34560 50.0 1.065 0.806 0.797 0.000 0.011 0.000 3/34560 60.0 0.905 0.676 0.660 0.000 0.010 0.000 3/34560 70.0 0.799 0.590 0.567 0.000 0.009 0.000 3/34560 80.0 0.725 0.528 0.500 0.000 0.008 0.000 3/34560 90.0 0.671 0.482 0.449 0.000 0.007 0.000 3/34560 100.0 0.631 0.445 0.408 0.000 0.006 0.000 3/34560 110.0 0.601 0.416 0.375 0.000 0.005 0.000 3/34560 120.0 0.578 0.393 0.347 0.000 0.004 0.000 3/34560 130.0 0.559 0.373 0.324 0.000 0.004 0.000 3/34560 140.0 0.544 0.356 0.304 0.000 0.003 0.000 3/34560 150.0 0.531 0.341 0.287 0.000 0.003 0.000 3/34560 160.0 0.521 0.328 0.272 0.000 0.002 0.000 3/34560 170.0 0.513 0.317 0.260 0.000 0.002 0.000 3/34560 180.0 0.506 0.307 0.249 0.000 0.001 0.000 3/34560 190.0 0.500 0.298 0.239 0.000 0.001 0.000 3/34560 200.0 0.496 0.289 0.231 0.000 0.001 0.000 3/34560 210.0 0.492 0.281 0.223 0.000 0.000 0.000 3/34560 220.0 0.489 0.274 0.217 0.000 0.000 0.000 3/34560 230.0 0.486 0.268 0.212 0.000 -0.000 0.000 3/34560 240.0 0.484 0.262 0.207 0.000 -0.000 0.000 3/34560 250.0 0.482 0.256 0.203 0.000 -0.001 0.000 3/34560 260.0 0.480 0.251 0.200 0.000 -0.001 0.000 3/34560 270.0 0.479 0.246 0.197 0.000 -0.001 0.000 3/34560 280.0 0.477 0.242 0.195 0.000 -0.001 0.000 3/34560 290.0 0.476 0.238 0.193 0.000 -0.001 0.000 3/34560 300.0 0.475 0.234 0.191 0.000 -0.001 0.000 3/34560 310.0 0.474 0.230 0.189 0.000 -0.002 0.000 3/34560 320.0 0.472 0.226 0.188 0.000 -0.002 0.000 3/34560 330.0 0.471 0.223 0.187 0.000 -0.002 0.000 3/34560 340.0 0.469 0.220 0.186 0.000 -0.002 0.000 3/34560 350.0 0.467 0.216 0.185 0.000 -0.002 0.000 3/34560 360.0 0.466 0.213 0.184 0.000 -0.002 0.000 3/34560 370.0 0.464 0.210 0.184 0.000 -0.002 0.000 3/34560 380.0 0.462 0.208 0.183 0.000 -0.002 0.000 3/34560 390.0 0.459 0.205 0.182 0.000 -0.002 0.000 3/34560 400.0 0.457 0.202 0.182 0.000 -0.003 0.000 3/34560 410.0 0.455 0.200 0.181 0.000 -0.003 0.000 3/34560 420.0 0.452 0.197 0.180 0.000 -0.003 0.000 3/34560 430.0 0.450 0.195 0.180 0.000 -0.003 0.000 3/34560 440.0 0.447 0.192 0.179 0.000 -0.003 0.000 3/34560 450.0 0.444 0.190 0.178 0.000 -0.003 0.000 3/34560 460.0 0.441 0.188 0.178 0.000 -0.003 0.000 3/34560 470.0 0.439 0.185 0.177 0.000 -0.003 0.000 3/34560 480.0 0.436 0.183 0.176 0.000 -0.003 0.000 3/34560 490.0 0.433 0.181 0.175 0.000 -0.003 0.000 3/34560 500.0 0.429 0.179 0.175 0.000 -0.003 0.000 3/34560 510.0 0.426 0.177 0.174 0.000 -0.003 0.000 3/34560 520.0 0.423 0.175 0.173 0.000 -0.003 0.000 3/34560 530.0 0.420 0.173 0.172 0.000 -0.003 0.000 3/34560 540.0 0.417 0.171 0.171 0.000 -0.003 0.000 3/34560 550.0 0.414 0.169 0.170 0.000 -0.003 0.000 3/34560 560.0 0.410 0.167 0.169 0.000 -0.003 0.000 3/34560 570.0 0.407 0.165 0.169 0.000 -0.003 0.000 3/34560 580.0 0.404 0.163 0.168 0.000 -0.003 0.000 3/34560 590.0 0.401 0.162 0.167 0.000 -0.003 0.000 3/34560 600.0 0.397 0.160 0.166 0.000 -0.003 0.000 3/34560 610.0 0.394 0.158 0.165 0.000 -0.003 0.000 3/34560 620.0 0.391 0.157 0.164 0.000 -0.003 0.000 3/34560 630.0 0.388 0.155 0.163 0.000 -0.003 0.000 3/34560 640.0 0.384 0.153 0.162 0.000 -0.003 0.000 3/34560 650.0 0.381 0.152 0.161 0.000 -0.003 0.000 3/34560 660.0 0.378 0.150 0.160 0.000 -0.003 0.000 3/34560 670.0 0.375 0.148 0.159 0.000 -0.003 0.000 3/34560 680.0 0.372 0.147 0.158 0.000 -0.003 0.000 3/34560 690.0 0.368 0.145 0.156 0.000 -0.003 0.000 3/34560 700.0 0.365 0.144 0.155 0.000 -0.003 0.000 3/34560 710.0 0.362 0.142 0.154 0.000 -0.003 0.000 3/34560 720.0 0.359 0.141 0.153 0.000 -0.003 0.000 3/34560 730.0 0.356 0.140 0.152 0.000 -0.003 0.000 3/34560 740.0 0.353 0.138 0.151 0.000 -0.003 0.000 3/34560 750.0 0.350 0.137 0.150 0.000 -0.003 0.000 3/34560 760.0 0.347 0.136 0.149 0.000 -0.003 0.000 3/34560 770.0 0.344 0.134 0.148 0.000 -0.003 0.000 3/34560 780.0 0.341 0.133 0.147 0.000 -0.003 0.000 3/34560 790.0 0.338 0.132 0.146 0.000 -0.003 0.000 3/34560 800.0 0.336 0.130 0.145 0.000 -0.003 0.000 3/34560 810.0 0.333 0.129 0.144 0.000 -0.003 0.000 3/34560 820.0 0.330 0.128 0.143 0.000 -0.003 0.000 3/34560 830.0 0.327 0.127 0.142 0.000 -0.003 0.000 3/34560 840.0 0.325 0.126 0.141 0.000 -0.003 0.000 3/34560 850.0 0.322 0.124 0.140 0.000 -0.003 0.000 3/34560 860.0 0.319 0.123 0.139 0.000 -0.003 0.000 3/34560 870.0 0.317 0.122 0.138 0.000 -0.003 0.000 3/34560 880.0 0.314 0.121 0.137 0.000 -0.003 0.000 3/34560 890.0 0.311 0.120 0.136 0.000 -0.003 0.000 3/34560 900.0 0.309 0.119 0.135 0.000 -0.003 0.000 3/34560 910.0 0.306 0.118 0.134 0.000 -0.003 0.000 3/34560 920.0 0.304 0.117 0.133 0.000 -0.003 0.000 3/34560 930.0 0.302 0.116 0.132 0.000 -0.003 0.000 3/34560 940.0 0.299 0.115 0.131 0.000 -0.003 0.000 3/34560 950.0 0.297 0.114 0.130 0.000 -0.003 0.000 3/34560 960.0 0.294 0.113 0.129 0.000 -0.003 0.000 3/34560 970.0 0.292 0.112 0.129 0.000 -0.003 0.000 3/34560 980.0 0.290 0.111 0.128 0.000 -0.003 0.000 3/34560 990.0 0.288 0.110 0.127 0.000 -0.003 0.000 3/34560 1000.0 0.285 0.109 0.126 0.000 -0.003 0.000 3/34560 Thermal conductivity related properties were written into "kappa-m845.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:30:34]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|