----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:00:34]------------------------- 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 7.486116592872943 0.000000000000000 0.000000000000000 b 0.000000000000000 9.964165599999999 0.000000000000000 c -0.020170387973982 0.000000000000000 13.296966267374193 Atomic positions (fractional): *1 Cu 0.24341225347581 0.38543418937042 0.06374306038580 63.546 *2 Cu 0.77344809129321 0.12392026340965 0.17956444085191 63.546 *3 Cu 0.55710339261635 0.95469048750380 0.85463052448033 63.546 *4 Cu 0.67101531919976 0.10150068496334 0.70149077715445 63.546 5 Cu 0.55710339261635 0.54530951249620 0.35463052448033 63.546 6 Cu 0.44289660738365 0.04530951249620 0.14536947551967 63.546 7 Cu 0.24341225347581 0.11456581062958 0.56374306038580 63.546 *8 Cu 0.07132951157480 0.51919930114726 0.91025772736670 63.546 9 Cu 0.22655190870680 0.62392026340965 0.32043555914809 63.546 10 Cu 0.44289660738365 0.45469048750380 0.64536947551967 63.546 11 Cu 0.32898468080024 0.89849931503666 0.29850922284555 63.546 *12 Cu 0.16439844795459 0.39045566538904 0.54786283398289 63.546 13 Cu 0.92867048842520 0.01919930114726 0.58974227263330 63.546 14 Cu 0.83560155204541 0.60954433461096 0.45213716601711 63.546 15 Cu 0.32898468080024 0.60150068496334 0.79850922284555 63.546 16 Cu 0.92867048842520 0.48080069885274 0.08974227263330 63.546 17 Cu 0.83560155204541 0.89045566538904 0.95213716601711 63.546 18 Cu 0.75658774652419 0.88543418937041 0.43625693961420 63.546 19 Cu 0.07132951157480 0.98080069885274 0.41025772736670 63.546 20 Cu 0.75658774652419 0.61456581062959 0.93625693961420 63.546 21 Cu 0.77344809129321 0.37607973659035 0.67956444085191 63.546 22 Cu 0.67101531919976 0.39849931503666 0.20149077715445 63.546 23 Cu 0.22655190870680 0.87607973659035 0.82043555914809 63.546 24 Cu 0.16439844795459 0.10954433461096 0.04786283398289 63.546 *25 Sb 0.69775054551150 0.25121354662337 0.44953198375037 121.760 *26 Sb 0.19973602094406 0.25659647406907 0.29707052776104 121.760 27 Sb 0.30224945448850 0.75121354662337 0.05046801624963 121.760 28 Sb 0.80026397905594 0.74340352593093 0.70292947223896 121.760 29 Sb 0.69775054551150 0.24878645337663 0.94953198375037 121.760 30 Sb 0.80026397905594 0.75659647406907 0.20292947223896 121.760 31 Sb 0.19973602094406 0.24340352593093 0.79707052776104 121.760 32 Sb 0.30224945448850 0.74878645337663 0.55046801624963 121.760 *33 S 0.44138065622468 0.23343893173343 0.66443121770923 32.065 *34 S 0.31150828627528 0.43739891383552 0.40760367733530 32.065 *35 S 0.82436008498403 0.06762121901286 0.84300665659040 32.065 *36 S 0.05396256884562 0.74638473201126 0.92030534121815 32.065 37 S 0.05396256884562 0.75361526798874 0.42030534121815 32.065 *38 S 0.34131770175231 0.42010206317472 0.90506988681727 32.065 39 S 0.68849171372472 0.56260108616448 0.59239632266470 32.065 40 S 0.31150828627528 0.06260108616448 0.90760367733530 32.065 41 S 0.65868229824769 0.57989793682528 0.09493011318273 32.065 *42 S 0.17616643988811 0.92666346635551 0.65943034804706 32.065 43 S 0.65868229824769 0.92010206317472 0.59493011318273 32.065 44 S 0.82383356011189 0.42666346635551 0.84056965195294 32.065 45 S 0.17616643988811 0.57333653364449 0.15943034804706 32.065 46 S 0.17563991501597 0.56762121901286 0.65699334340960 32.065 47 S 0.68849171372472 0.93739891383552 0.09239632266470 32.065 48 S 0.34131770175231 0.07989793682528 0.40506988681727 32.065 49 S 0.55861934377532 0.73343893173343 0.83556878229077 32.065 50 S 0.94603743115438 0.25361526798874 0.07969465878185 32.065 51 S 0.94603743115438 0.24638473201126 0.57969465878185 32.065 52 S 0.55861934377532 0.76656106826657 0.33556878229077 32.065 53 S 0.82436008498403 0.43237878098714 0.34300665659040 32.065 54 S 0.82383356011189 0.07333653364449 0.34056965195294 32.065 55 S 0.44138065622468 0.26656106826657 0.16443121770923 32.065 56 S 0.17563991501597 0.93237878098714 0.15699334340960 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.486116592872943 0.000000000000000 0.000000000000000 b 0.000000000000000 9.964165599999999 0.000000000000000 c -0.020170387973982 0.000000000000000 13.296966267374193 Atomic positions (fractional): *1 Cu 0.24341225347581 0.38543418937042 0.06374306038580 63.546 > 1 *2 Cu 0.77344809129321 0.12392026340965 0.17956444085191 63.546 > 2 *3 Cu 0.55710339261635 0.95469048750380 0.85463052448033 63.546 > 3 *4 Cu 0.67101531919976 0.10150068496334 0.70149077715445 63.546 > 4 5 Cu 0.55710339261635 0.54530951249620 0.35463052448033 63.546 > 5 6 Cu 0.44289660738365 0.04530951249620 0.14536947551967 63.546 > 6 7 Cu 0.24341225347581 0.11456581062958 0.56374306038580 63.546 > 7 *8 Cu 0.07132951157480 0.51919930114726 0.91025772736670 63.546 > 8 9 Cu 0.22655190870680 0.62392026340965 0.32043555914809 63.546 > 9 10 Cu 0.44289660738365 0.45469048750380 0.64536947551967 63.546 > 10 11 Cu 0.32898468080024 0.89849931503666 0.29850922284555 63.546 > 11 *12 Cu 0.16439844795459 0.39045566538904 0.54786283398289 63.546 > 12 13 Cu 0.92867048842520 0.01919930114726 0.58974227263330 63.546 > 13 14 Cu 0.83560155204541 0.60954433461096 0.45213716601711 63.546 > 14 15 Cu 0.32898468080024 0.60150068496334 0.79850922284555 63.546 > 15 16 Cu 0.92867048842520 0.48080069885274 0.08974227263330 63.546 > 16 17 Cu 0.83560155204541 0.89045566538904 0.95213716601711 63.546 > 17 18 Cu 0.75658774652419 0.88543418937041 0.43625693961420 63.546 > 18 19 Cu 0.07132951157480 0.98080069885274 0.41025772736670 63.546 > 19 20 Cu 0.75658774652419 0.61456581062959 0.93625693961420 63.546 > 20 21 Cu 0.77344809129321 0.37607973659035 0.67956444085191 63.546 > 21 22 Cu 0.67101531919976 0.39849931503666 0.20149077715445 63.546 > 22 23 Cu 0.22655190870680 0.87607973659035 0.82043555914809 63.546 > 23 24 Cu 0.16439844795459 0.10954433461096 0.04786283398289 63.546 > 24 *25 Sb 0.69775054551150 0.25121354662337 0.44953198375037 121.760 > 25 *26 Sb 0.19973602094406 0.25659647406907 0.29707052776104 121.760 > 26 27 Sb 0.30224945448850 0.75121354662337 0.05046801624963 121.760 > 27 28 Sb 0.80026397905594 0.74340352593093 0.70292947223896 121.760 > 28 29 Sb 0.69775054551150 0.24878645337663 0.94953198375037 121.760 > 29 30 Sb 0.80026397905594 0.75659647406907 0.20292947223896 121.760 > 30 31 Sb 0.19973602094406 0.24340352593093 0.79707052776104 121.760 > 31 32 Sb 0.30224945448850 0.74878645337663 0.55046801624963 121.760 > 32 *33 S 0.44138065622468 0.23343893173343 0.66443121770923 32.065 > 33 *34 S 0.31150828627528 0.43739891383552 0.40760367733530 32.065 > 34 *35 S 0.82436008498403 0.06762121901286 0.84300665659040 32.065 > 35 *36 S 0.05396256884562 0.74638473201126 0.92030534121815 32.065 > 36 37 S 0.05396256884562 0.75361526798874 0.42030534121815 32.065 > 37 *38 S 0.34131770175231 0.42010206317472 0.90506988681727 32.065 > 38 39 S 0.68849171372472 0.56260108616448 0.59239632266470 32.065 > 39 40 S 0.31150828627528 0.06260108616448 0.90760367733530 32.065 > 40 41 S 0.65868229824769 0.57989793682528 0.09493011318273 32.065 > 41 *42 S 0.17616643988811 0.92666346635551 0.65943034804706 32.065 > 42 43 S 0.65868229824769 0.92010206317472 0.59493011318273 32.065 > 43 44 S 0.82383356011189 0.42666346635551 0.84056965195294 32.065 > 44 45 S 0.17616643988811 0.57333653364449 0.15943034804706 32.065 > 45 46 S 0.17563991501597 0.56762121901286 0.65699334340960 32.065 > 46 47 S 0.68849171372472 0.93739891383552 0.09239632266470 32.065 > 47 48 S 0.34131770175231 0.07989793682528 0.40506988681727 32.065 > 48 49 S 0.55861934377532 0.73343893173343 0.83556878229077 32.065 > 49 50 S 0.94603743115438 0.25361526798874 0.07969465878185 32.065 > 50 51 S 0.94603743115438 0.24638473201126 0.57969465878185 32.065 > 51 52 S 0.55861934377532 0.76656106826657 0.33556878229077 32.065 > 52 53 S 0.82436008498403 0.43237878098714 0.34300665659040 32.065 > 53 54 S 0.82383356011189 0.07333653364449 0.34056965195294 32.065 > 54 55 S 0.44138065622468 0.26656106826657 0.16443121770923 32.065 > 55 56 S 0.17563991501597 0.93237878098714 0.15699334340960 32.065 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.972233185745885 0.000000000000000 0.000000000000000 b 0.000000000000000 9.964165599999999 0.000000000000000 c -0.020170387973982 0.000000000000000 13.296966267374193 Atomic positions (fractional): *1 Cu 0.12170612673791 0.38543418937042 0.06374306038580 63.546 > 1 2 Cu 0.62170612673791 0.38543418937042 0.06374306038580 63.546 > 1 *3 Cu 0.38672404564660 0.12392026340965 0.17956444085191 63.546 > 2 4 Cu 0.88672404564660 0.12392026340965 0.17956444085191 63.546 > 2 *5 Cu 0.27855169630818 0.95469048750380 0.85463052448033 63.546 > 3 6 Cu 0.77855169630818 0.95469048750380 0.85463052448033 63.546 > 3 *7 Cu 0.33550765959988 0.10150068496334 0.70149077715445 63.546 > 4 8 Cu 0.83550765959988 0.10150068496334 0.70149077715445 63.546 > 4 9 Cu 0.27855169630818 0.54530951249620 0.35463052448033 63.546 > 5 10 Cu 0.77855169630818 0.54530951249620 0.35463052448033 63.546 > 5 11 Cu 0.22144830369182 0.04530951249620 0.14536947551967 63.546 > 6 12 Cu 0.72144830369182 0.04530951249620 0.14536947551967 63.546 > 6 13 Cu 0.12170612673791 0.11456581062958 0.56374306038580 63.546 > 7 14 Cu 0.62170612673791 0.11456581062958 0.56374306038580 63.546 > 7 *15 Cu 0.03566475578740 0.51919930114726 0.91025772736670 63.546 > 8 16 Cu 0.53566475578740 0.51919930114726 0.91025772736670 63.546 > 8 17 Cu 0.11327595435340 0.62392026340965 0.32043555914809 63.546 > 9 18 Cu 0.61327595435340 0.62392026340965 0.32043555914809 63.546 > 9 19 Cu 0.22144830369182 0.45469048750380 0.64536947551967 63.546 > 10 20 Cu 0.72144830369182 0.45469048750380 0.64536947551967 63.546 > 10 21 Cu 0.16449234040012 0.89849931503666 0.29850922284555 63.546 > 11 22 Cu 0.66449234040012 0.89849931503666 0.29850922284555 63.546 > 11 *23 Cu 0.08219922397730 0.39045566538904 0.54786283398289 63.546 > 12 24 Cu 0.58219922397730 0.39045566538904 0.54786283398289 63.546 > 12 25 Cu 0.46433524421260 0.01919930114726 0.58974227263330 63.546 > 13 26 Cu 0.96433524421260 0.01919930114726 0.58974227263330 63.546 > 13 27 Cu 0.41780077602270 0.60954433461096 0.45213716601711 63.546 > 14 28 Cu 0.91780077602270 0.60954433461096 0.45213716601711 63.546 > 14 29 Cu 0.16449234040012 0.60150068496334 0.79850922284555 63.546 > 15 30 Cu 0.66449234040012 0.60150068496334 0.79850922284555 63.546 > 15 31 Cu 0.46433524421260 0.48080069885274 0.08974227263330 63.546 > 16 32 Cu 0.96433524421260 0.48080069885274 0.08974227263330 63.546 > 16 33 Cu 0.41780077602270 0.89045566538904 0.95213716601711 63.546 > 17 34 Cu 0.91780077602270 0.89045566538904 0.95213716601711 63.546 > 17 35 Cu 0.37829387326209 0.88543418937041 0.43625693961420 63.546 > 18 36 Cu 0.87829387326209 0.88543418937041 0.43625693961420 63.546 > 18 37 Cu 0.03566475578740 0.98080069885274 0.41025772736670 63.546 > 19 38 Cu 0.53566475578740 0.98080069885274 0.41025772736670 63.546 > 19 39 Cu 0.37829387326209 0.61456581062959 0.93625693961420 63.546 > 20 40 Cu 0.87829387326209 0.61456581062959 0.93625693961420 63.546 > 20 41 Cu 0.38672404564660 0.37607973659035 0.67956444085191 63.546 > 21 42 Cu 0.88672404564660 0.37607973659035 0.67956444085191 63.546 > 21 43 Cu 0.33550765959988 0.39849931503666 0.20149077715445 63.546 > 22 44 Cu 0.83550765959988 0.39849931503666 0.20149077715445 63.546 > 22 45 Cu 0.11327595435340 0.87607973659035 0.82043555914809 63.546 > 23 46 Cu 0.61327595435340 0.87607973659035 0.82043555914809 63.546 > 23 47 Cu 0.08219922397730 0.10954433461096 0.04786283398289 63.546 > 24 48 Cu 0.58219922397730 0.10954433461096 0.04786283398289 63.546 > 24 *49 Sb 0.34887527275575 0.25121354662337 0.44953198375037 121.760 > 25 50 Sb 0.84887527275575 0.25121354662337 0.44953198375037 121.760 > 25 *51 Sb 0.09986801047203 0.25659647406907 0.29707052776104 121.760 > 26 52 Sb 0.59986801047203 0.25659647406907 0.29707052776104 121.760 > 26 53 Sb 0.15112472724425 0.75121354662337 0.05046801624963 121.760 > 27 54 Sb 0.65112472724425 0.75121354662337 0.05046801624963 121.760 > 27 55 Sb 0.40013198952797 0.74340352593093 0.70292947223896 121.760 > 28 56 Sb 0.90013198952797 0.74340352593093 0.70292947223896 121.760 > 28 57 Sb 0.34887527275575 0.24878645337663 0.94953198375037 121.760 > 29 58 Sb 0.84887527275575 0.24878645337663 0.94953198375037 121.760 > 29 59 Sb 0.40013198952797 0.75659647406907 0.20292947223896 121.760 > 30 60 Sb 0.90013198952797 0.75659647406907 0.20292947223896 121.760 > 30 61 Sb 0.09986801047203 0.24340352593093 0.79707052776104 121.760 > 31 62 Sb 0.59986801047203 0.24340352593093 0.79707052776104 121.760 > 31 63 Sb 0.15112472724425 0.74878645337663 0.55046801624963 121.760 > 32 64 Sb 0.65112472724425 0.74878645337663 0.55046801624963 121.760 > 32 *65 S 0.22069032811234 0.23343893173343 0.66443121770923 32.065 > 33 66 S 0.72069032811234 0.23343893173343 0.66443121770923 32.065 > 33 *67 S 0.15575414313764 0.43739891383552 0.40760367733530 32.065 > 34 68 S 0.65575414313764 0.43739891383552 0.40760367733530 32.065 > 34 *69 S 0.41218004249201 0.06762121901286 0.84300665659040 32.065 > 35 70 S 0.91218004249201 0.06762121901286 0.84300665659040 32.065 > 35 *71 S 0.02698128442281 0.74638473201126 0.92030534121815 32.065 > 36 72 S 0.52698128442281 0.74638473201126 0.92030534121815 32.065 > 36 73 S 0.02698128442281 0.75361526798874 0.42030534121815 32.065 > 37 74 S 0.52698128442281 0.75361526798874 0.42030534121815 32.065 > 37 *75 S 0.17065885087616 0.42010206317472 0.90506988681727 32.065 > 38 76 S 0.67065885087616 0.42010206317472 0.90506988681727 32.065 > 38 77 S 0.34424585686236 0.56260108616448 0.59239632266470 32.065 > 39 78 S 0.84424585686236 0.56260108616448 0.59239632266470 32.065 > 39 79 S 0.15575414313764 0.06260108616448 0.90760367733530 32.065 > 40 80 S 0.65575414313764 0.06260108616448 0.90760367733530 32.065 > 40 81 S 0.32934114912384 0.57989793682528 0.09493011318273 32.065 > 41 82 S 0.82934114912384 0.57989793682528 0.09493011318273 32.065 > 41 *83 S 0.08808321994406 0.92666346635551 0.65943034804706 32.065 > 42 84 S 0.58808321994406 0.92666346635551 0.65943034804706 32.065 > 42 85 S 0.32934114912384 0.92010206317472 0.59493011318273 32.065 > 43 86 S 0.82934114912384 0.92010206317472 0.59493011318273 32.065 > 43 87 S 0.41191678005594 0.42666346635551 0.84056965195294 32.065 > 44 88 S 0.91191678005594 0.42666346635551 0.84056965195294 32.065 > 44 89 S 0.08808321994406 0.57333653364449 0.15943034804706 32.065 > 45 90 S 0.58808321994406 0.57333653364449 0.15943034804706 32.065 > 45 91 S 0.08781995750799 0.56762121901286 0.65699334340960 32.065 > 46 92 S 0.58781995750799 0.56762121901286 0.65699334340960 32.065 > 46 93 S 0.34424585686236 0.93739891383552 0.09239632266470 32.065 > 47 94 S 0.84424585686236 0.93739891383552 0.09239632266470 32.065 > 47 95 S 0.17065885087616 0.07989793682528 0.40506988681727 32.065 > 48 96 S 0.67065885087616 0.07989793682528 0.40506988681727 32.065 > 48 97 S 0.27930967188766 0.73343893173343 0.83556878229077 32.065 > 49 98 S 0.77930967188766 0.73343893173343 0.83556878229077 32.065 > 49 99 S 0.47301871557719 0.25361526798874 0.07969465878185 32.065 > 50 100 S 0.97301871557719 0.25361526798874 0.07969465878185 32.065 > 50 101 S 0.47301871557719 0.24638473201126 0.57969465878185 32.065 > 51 102 S 0.97301871557719 0.24638473201126 0.57969465878185 32.065 > 51 103 S 0.27930967188766 0.76656106826657 0.33556878229077 32.065 > 52 104 S 0.77930967188766 0.76656106826657 0.33556878229077 32.065 > 52 105 S 0.41218004249201 0.43237878098714 0.34300665659040 32.065 > 53 106 S 0.91218004249201 0.43237878098714 0.34300665659040 32.065 > 53 107 S 0.41191678005594 0.07333653364449 0.34056965195294 32.065 > 54 108 S 0.91191678005594 0.07333653364449 0.34056965195294 32.065 > 54 109 S 0.22069032811234 0.26656106826657 0.16443121770923 32.065 > 55 110 S 0.72069032811234 0.26656106826657 0.16443121770923 32.065 > 55 111 S 0.08781995750799 0.93237878098714 0.15699334340960 32.065 > 56 112 S 0.58781995750799 0.93237878098714 0.15699334340960 32.065 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.0684216 0.0000000 -0.1877554 0.0000000 13.7112848 0.0000000 -0.1877547 0.0000000 12.3854448 -------------------------- Born effective charges -------------------------- 1 Cu 0.7686663 -0.0662484 0.1984835 0.0024535 0.7540303 0.1423815 0.0720760 0.1444863 0.4503847 2 Cu 0.9385963 0.1201246 -0.0644631 -0.0248561 0.7703416 0.0537540 -0.1118836 0.0737967 0.5334364 3 Cu 0.8724673 0.0131635 -0.0753196 0.0787726 0.7829052 -0.0381417 -0.0970959 0.0319897 0.4162140 4 Cu 0.4856279 -0.1097352 -0.0510373 -0.1183484 0.7154574 0.0666661 -0.0263016 0.0937176 0.5047268 5 Cu 0.8724673 -0.0131635 -0.0753196 -0.0787726 0.7829052 0.0381417 -0.0970959 -0.0319897 0.4162140 6 Cu 0.8724673 0.0131635 -0.0753196 0.0787726 0.7829052 -0.0381417 -0.0970959 0.0319897 0.4162140 7 Cu 0.7686663 0.0662484 0.1984835 -0.0024535 0.7540303 -0.1423815 0.0720760 -0.1444863 0.4503847 8 Cu 1.0272152 0.0314579 -0.1053260 -0.1417909 0.9729970 0.0458607 0.1720540 -0.0582900 0.4212074 9 Cu 0.9385963 -0.1201246 -0.0644631 0.0248561 0.7703416 -0.0537540 -0.1118836 -0.0737967 0.5334364 10 Cu 0.8724673 -0.0131635 -0.0753196 -0.0787726 0.7829052 0.0381417 -0.0970959 -0.0319897 0.4162140 11 Cu 0.4856279 -0.1097352 -0.0510373 -0.1183484 0.7154574 0.0666661 -0.0263016 0.0937176 0.5047268 12 Cu 0.5005802 0.0310893 0.0532236 0.1342746 0.7535472 0.0235716 0.0261342 0.0311428 0.5301157 13 Cu 1.0272152 -0.0314579 -0.1053260 0.1417909 0.9729970 -0.0458607 0.1720540 0.0582900 0.4212074 14 Cu 0.5005802 0.0310893 0.0532236 0.1342746 0.7535472 0.0235716 0.0261342 0.0311428 0.5301157 15 Cu 0.4856279 0.1097352 -0.0510373 0.1183484 0.7154574 -0.0666661 -0.0263016 -0.0937176 0.5047268 16 Cu 1.0272152 0.0314579 -0.1053260 -0.1417909 0.9729970 0.0458607 0.1720540 -0.0582900 0.4212074 17 Cu 0.5005802 -0.0310893 0.0532236 -0.1342746 0.7535472 -0.0235716 0.0261342 -0.0311428 0.5301157 18 Cu 0.7686663 0.0662484 0.1984835 -0.0024535 0.7540303 -0.1423815 0.0720760 -0.1444863 0.4503847 19 Cu 1.0272152 -0.0314579 -0.1053260 0.1417909 0.9729970 -0.0458607 0.1720540 0.0582900 0.4212074 20 Cu 0.7686663 -0.0662484 0.1984835 0.0024535 0.7540303 0.1423815 0.0720760 0.1444863 0.4503847 21 Cu 0.9385963 -0.1201246 -0.0644631 0.0248561 0.7703416 -0.0537540 -0.1118836 -0.0737967 0.5334364 22 Cu 0.4856279 0.1097352 -0.0510373 0.1183484 0.7154574 -0.0666661 -0.0263016 -0.0937176 0.5047268 23 Cu 0.9385963 0.1201246 -0.0644631 -0.0248561 0.7703416 0.0537540 -0.1118836 0.0737967 0.5334364 24 Cu 0.5005802 -0.0310893 0.0532236 -0.1342746 0.7535472 -0.0235716 0.0261342 -0.0311428 0.5301157 25 Sb 3.4495787 -0.3855336 0.2006952 -0.0756987 3.4203477 -0.1180571 0.1460043 -0.0734710 3.2113742 26 Sb 3.1135216 0.4025913 -0.3146450 -0.1629781 3.4934078 0.0785837 -0.2069234 -0.2008064 3.5522561 27 Sb 3.4495787 0.3855336 0.2006952 0.0756987 3.4203477 0.1180571 0.1460043 0.0734710 3.2113742 28 Sb 3.1135216 0.4025913 -0.3146450 -0.1629781 3.4934078 0.0785837 -0.2069234 -0.2008064 3.5522561 29 Sb 3.4495787 0.3855336 0.2006952 0.0756987 3.4203477 0.1180571 0.1460043 0.0734710 3.2113742 30 Sb 3.1135216 -0.4025913 -0.3146450 0.1629781 3.4934078 -0.0785837 -0.2069234 0.2008064 3.5522561 31 Sb 3.1135216 -0.4025913 -0.3146450 0.1629781 3.4934078 -0.0785837 -0.2069234 0.2008064 3.5522561 32 Sb 3.4495787 -0.3855336 0.2006952 -0.0756987 3.4203477 -0.1180571 0.1460043 -0.0734710 3.2113742 33 S -2.5134845 -0.0392683 0.5222193 -0.1584438 -1.2826410 0.0144937 0.8073210 0.0721258 -1.9161929 34 S -1.4685668 -0.1281720 -0.4184788 -0.4182460 -2.3478269 -0.7226623 -0.3659637 -0.5272216 -1.5058772 35 S -1.4214249 -0.3514948 0.3548057 0.4635465 -2.2201584 -0.7019986 0.4144209 -0.5496103 -1.4310828 36 S -2.5066617 -0.1806440 -0.5170147 -0.1159981 -1.3289910 -0.1578331 -0.7833786 -0.1089968 -1.7772471 37 S -2.5066617 0.1806440 -0.5170147 0.1159981 -1.3289910 0.1578331 -0.7833786 0.1089968 -1.7772471 38 S -1.6224240 0.4582834 -0.2657657 -0.2641846 -2.1934160 -0.5659177 -0.4802788 -0.5711390 -1.5843222 39 S -1.4685668 -0.1281720 -0.4184788 -0.4182460 -2.3478269 -0.7226623 -0.3659637 -0.5272216 -1.5058772 40 S -1.4685668 0.1281720 -0.4184788 0.4182460 -2.3478269 0.7226623 -0.3659637 0.5272216 -1.5058772 41 S -1.6224240 0.4582834 -0.2657657 -0.2641846 -2.1934160 -0.5659177 -0.4802788 -0.5711390 -1.5843222 42 S -1.6236916 0.1342382 0.4826230 0.3754691 -2.2900010 -0.4119275 0.4338150 -0.4456868 -1.4049932 43 S -1.6224240 -0.4582834 -0.2657657 0.2641846 -2.1934160 0.5659177 -0.4802788 0.5711390 -1.5843222 44 S -1.6236916 -0.1342382 0.4826230 -0.3754691 -2.2900010 0.4119275 0.4338150 0.4456868 -1.4049932 45 S -1.6236916 -0.1342382 0.4826230 -0.3754691 -2.2900010 0.4119275 0.4338150 0.4456868 -1.4049932 46 S -1.4214249 0.3514948 0.3548057 -0.4635465 -2.2201584 0.7019986 0.4144209 0.5496103 -1.4310828 47 S -1.4685668 0.1281720 -0.4184788 0.4182460 -2.3478269 0.7226623 -0.3659637 0.5272216 -1.5058772 48 S -1.6224240 -0.4582834 -0.2657657 0.2641846 -2.1934160 0.5659177 -0.4802788 0.5711390 -1.5843222 49 S -2.5134845 0.0392683 0.5222193 0.1584438 -1.2826410 -0.0144937 0.8073210 -0.0721258 -1.9161929 50 S -2.5066617 -0.1806440 -0.5170147 -0.1159981 -1.3289910 -0.1578331 -0.7833786 -0.1089968 -1.7772471 51 S -2.5066617 0.1806440 -0.5170147 0.1159981 -1.3289910 0.1578331 -0.7833786 0.1089968 -1.7772471 52 S -2.5134845 -0.0392683 0.5222193 -0.1584438 -1.2826410 0.0144937 0.8073210 0.0721258 -1.9161929 53 S -1.4214249 0.3514948 0.3548057 -0.4635465 -2.2201584 0.7019986 0.4144209 0.5496103 -1.4310828 54 S -1.6236916 0.1342382 0.4826230 0.3754691 -2.2900010 -0.4119275 0.4338150 -0.4456868 -1.4049932 55 S -2.5134845 0.0392683 0.5222193 0.1584438 -1.2826410 -0.0144937 0.8073210 -0.0721258 -1.9161929 56 S -1.4214249 -0.3514948 0.3548057 0.4635465 -2.2201584 -0.7019986 0.4144209 -0.5496103 -1.4310828 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 222 eigenvectors found. (2) Block: 500 / 568 (2) 232 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 84 (1) Compute compressed projector. (1) Use standard solver. (1) 56 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 222 eigenvectors found. (2) Block: 500 / 568 (2) 232 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 84 (1) Compute compressed projector. (1) Use standard solver. (1) 56 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (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: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), 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, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 56), data: (1568, 84) @ (84, 56) |-- (568, 540), data: False |-- (568, 28), data: (568, 56) @ (56, 28) |-- (68, 58), data: True |-- (250, 232), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 56), data: (1568, 84) @ (84, 56) |-- (568, 540), data: False |-- (568, 28), data: (568, 56) @ (56, 28) |-- (68, 58), data: True |-- (250, 232), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1680 - Time: 1.870 Solver_block: 200 / 1680 - Time: 1.613 Solver_block: 300 / 1680 - Time: 1.616 Solver_block: 400 / 1680 - Time: 1.612 Solver_block: 500 / 1680 - Time: 1.614 Solver_block: 600 / 1680 - Time: 1.614 Solver_block: 700 / 1680 - Time: 1.615 Solver_block: 800 / 1680 - Time: 1.617 Solver_block: 900 / 1680 - Time: 1.623 Solver_block: 1000 / 1680 - Time: 1.612 Solver_block: 1100 / 1680 - Time: 1.610 Solver_block: 1200 / 1680 - Time: 1.617 Solver_block: 1300 / 1680 - Time: 1.615 Solver_block: 1400 / 1680 - Time: 1.612 Solver_block: 1500 / 1680 - Time: 1.616 Solver_block: 1600 / 1680 - Time: 1.616 Solver_block: 1680 / 1680 - Time: 1.332 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 28.284 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7224 Number of blocks in projector: 7224 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: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 222 eigenvectors found. (2) Block: 500 / 568 (2) 232 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 84 (1) Compute compressed projector. (1) Use standard solver. (1) 56 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1000 / 1568 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1568 / 1568 (2) Block: 250 / 568 (2) 222 eigenvectors found. (2) Block: 500 / 568 (2) 232 eigenvectors found. (2) Block: 568 / 568 (2) 58 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 540 eigenvectors found. (1) Complementary block size: 84 (1) Compute compressed projector. (1) Use standard solver. (1) 56 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1568 Use submatrix version of eigh solver. (1) Block: 500 / 1568 (2) Block: 250 / 500 (2) 223 eigenvectors found. (2) Block: 500 / 500 (2) 225 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 25 eigenvectors found. (1) 473 eigenvectors found. (1) Block: 1000 / 1568 (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: 1568 / 1568 (2) Block: 250 / 568 (2) 233 eigenvectors found. (2) Block: 500 / 568 (2) 237 eigenvectors found. (2) Block: 568 / 568 (2) 63 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 551 eigenvectors found. (1) Complementary block size: 67 (1) Compute compressed projector. (1) Use standard solver. (1) 40 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 840 Use submatrix version of eigh solver. (1) Block: 500 / 840 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 840 / 840 (1) 326 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (7224, 7099), data: False |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (840, 826), data: False |-- (840, 14), data: (840, 28) @ (28, 14) |-- (340, 326), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (1568, 1541), data: False |-- (1568, 40), data: (1568, 67) @ (67, 40) |-- (568, 551), data: False |-- (568, 18), data: (568, 35) @ (35, 18) |-- (68, 63), 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, 473), data: False |-- (500, 25), data: (500, 52) @ (52, 25) |-- (250, 225), data: True |-- (250, 223), data: True |-- (1568, 1540), data: False |-- (1568, 56), data: (1568, 84) @ (84, 56) |-- (568, 540), data: False |-- (568, 28), data: (568, 56) @ (56, 28) |-- (68, 58), data: True |-- (250, 232), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (1568, 1540), data: False |-- (1568, 56), data: (1568, 84) @ (84, 56) |-- (568, 540), data: False |-- (568, 28), data: (568, 56) @ (56, 28) |-- (68, 58), data: True |-- (250, 232), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), 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 11:02:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:02:15]------------------------- 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 7.486116592872943 0.000000000000000 0.000000000000000 b 0.000000000000000 9.964165599999999 0.000000000000000 c -0.020170387973982 0.000000000000000 13.296966267374193 Atomic positions (fractional): 1 Cu 0.24341225347581 0.38543418937042 0.06374306038580 63.546 2 Cu 0.77344809129321 0.12392026340965 0.17956444085191 63.546 3 Cu 0.55710339261635 0.95469048750380 0.85463052448033 63.546 4 Cu 0.67101531919976 0.10150068496334 0.70149077715445 63.546 5 Cu 0.55710339261635 0.54530951249620 0.35463052448033 63.546 6 Cu 0.44289660738365 0.04530951249620 0.14536947551967 63.546 7 Cu 0.24341225347581 0.11456581062958 0.56374306038580 63.546 8 Cu 0.07132951157480 0.51919930114726 0.91025772736670 63.546 9 Cu 0.22655190870680 0.62392026340965 0.32043555914809 63.546 10 Cu 0.44289660738365 0.45469048750380 0.64536947551967 63.546 11 Cu 0.32898468080024 0.89849931503666 0.29850922284555 63.546 12 Cu 0.16439844795459 0.39045566538904 0.54786283398289 63.546 13 Cu 0.92867048842520 0.01919930114726 0.58974227263330 63.546 14 Cu 0.83560155204541 0.60954433461096 0.45213716601711 63.546 15 Cu 0.32898468080024 0.60150068496334 0.79850922284555 63.546 16 Cu 0.92867048842520 0.48080069885274 0.08974227263330 63.546 17 Cu 0.83560155204541 0.89045566538904 0.95213716601711 63.546 18 Cu 0.75658774652419 0.88543418937041 0.43625693961420 63.546 19 Cu 0.07132951157480 0.98080069885274 0.41025772736670 63.546 20 Cu 0.75658774652419 0.61456581062959 0.93625693961420 63.546 21 Cu 0.77344809129321 0.37607973659035 0.67956444085191 63.546 22 Cu 0.67101531919976 0.39849931503666 0.20149077715445 63.546 23 Cu 0.22655190870680 0.87607973659035 0.82043555914809 63.546 24 Cu 0.16439844795459 0.10954433461096 0.04786283398289 63.546 25 Sb 0.69775054551150 0.25121354662337 0.44953198375037 121.760 26 Sb 0.19973602094406 0.25659647406907 0.29707052776104 121.760 27 Sb 0.30224945448850 0.75121354662337 0.05046801624963 121.760 28 Sb 0.80026397905594 0.74340352593093 0.70292947223896 121.760 29 Sb 0.69775054551150 0.24878645337663 0.94953198375037 121.760 30 Sb 0.80026397905594 0.75659647406907 0.20292947223896 121.760 31 Sb 0.19973602094406 0.24340352593093 0.79707052776104 121.760 32 Sb 0.30224945448850 0.74878645337663 0.55046801624963 121.760 33 S 0.44138065622468 0.23343893173343 0.66443121770923 32.065 34 S 0.31150828627528 0.43739891383552 0.40760367733530 32.065 35 S 0.82436008498403 0.06762121901286 0.84300665659040 32.065 36 S 0.05396256884562 0.74638473201126 0.92030534121815 32.065 37 S 0.05396256884562 0.75361526798874 0.42030534121815 32.065 38 S 0.34131770175231 0.42010206317472 0.90506988681727 32.065 39 S 0.68849171372472 0.56260108616448 0.59239632266470 32.065 40 S 0.31150828627528 0.06260108616448 0.90760367733530 32.065 41 S 0.65868229824769 0.57989793682528 0.09493011318273 32.065 42 S 0.17616643988811 0.92666346635551 0.65943034804706 32.065 43 S 0.65868229824769 0.92010206317472 0.59493011318273 32.065 44 S 0.82383356011189 0.42666346635551 0.84056965195294 32.065 45 S 0.17616643988811 0.57333653364449 0.15943034804706 32.065 46 S 0.17563991501597 0.56762121901286 0.65699334340960 32.065 47 S 0.68849171372472 0.93739891383552 0.09239632266470 32.065 48 S 0.34131770175231 0.07989793682528 0.40506988681727 32.065 49 S 0.55861934377532 0.73343893173343 0.83556878229077 32.065 50 S 0.94603743115438 0.25361526798874 0.07969465878185 32.065 51 S 0.94603743115438 0.24638473201126 0.57969465878185 32.065 52 S 0.55861934377532 0.76656106826657 0.33556878229077 32.065 53 S 0.82436008498403 0.43237878098714 0.34300665659040 32.065 54 S 0.82383356011189 0.07333653364449 0.34056965195294 32.065 55 S 0.44138065622468 0.26656106826657 0.16443121770923 32.065 56 S 0.17563991501597 0.93237878098714 0.15699334340960 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.972233185745885 0.000000000000000 0.000000000000000 b 0.000000000000000 9.964165599999999 0.000000000000000 c -0.020170387973982 0.000000000000000 13.296966267374193 Atomic positions (fractional): 1 Cu 0.12170612673791 0.38543418937042 0.06374306038580 63.546 > 1 2 Cu 0.62170612673791 0.38543418937042 0.06374306038580 63.546 > 1 3 Cu 0.38672404564660 0.12392026340965 0.17956444085191 63.546 > 3 4 Cu 0.88672404564660 0.12392026340965 0.17956444085191 63.546 > 3 5 Cu 0.27855169630818 0.95469048750380 0.85463052448033 63.546 > 5 6 Cu 0.77855169630818 0.95469048750380 0.85463052448033 63.546 > 5 7 Cu 0.33550765959988 0.10150068496334 0.70149077715445 63.546 > 7 8 Cu 0.83550765959988 0.10150068496334 0.70149077715445 63.546 > 7 9 Cu 0.27855169630818 0.54530951249620 0.35463052448033 63.546 > 9 10 Cu 0.77855169630818 0.54530951249620 0.35463052448033 63.546 > 9 11 Cu 0.22144830369182 0.04530951249620 0.14536947551967 63.546 > 11 12 Cu 0.72144830369182 0.04530951249620 0.14536947551967 63.546 > 11 13 Cu 0.12170612673791 0.11456581062958 0.56374306038580 63.546 > 13 14 Cu 0.62170612673791 0.11456581062958 0.56374306038580 63.546 > 13 15 Cu 0.03566475578740 0.51919930114726 0.91025772736670 63.546 > 15 16 Cu 0.53566475578740 0.51919930114726 0.91025772736670 63.546 > 15 17 Cu 0.11327595435340 0.62392026340965 0.32043555914809 63.546 > 17 18 Cu 0.61327595435340 0.62392026340965 0.32043555914809 63.546 > 17 19 Cu 0.22144830369182 0.45469048750380 0.64536947551967 63.546 > 19 20 Cu 0.72144830369182 0.45469048750380 0.64536947551967 63.546 > 19 21 Cu 0.16449234040012 0.89849931503666 0.29850922284555 63.546 > 21 22 Cu 0.66449234040012 0.89849931503666 0.29850922284555 63.546 > 21 23 Cu 0.08219922397730 0.39045566538904 0.54786283398289 63.546 > 23 24 Cu 0.58219922397730 0.39045566538904 0.54786283398289 63.546 > 23 25 Cu 0.46433524421260 0.01919930114726 0.58974227263330 63.546 > 25 26 Cu 0.96433524421260 0.01919930114726 0.58974227263330 63.546 > 25 27 Cu 0.41780077602270 0.60954433461096 0.45213716601711 63.546 > 27 28 Cu 0.91780077602270 0.60954433461096 0.45213716601711 63.546 > 27 29 Cu 0.16449234040012 0.60150068496334 0.79850922284555 63.546 > 29 30 Cu 0.66449234040012 0.60150068496334 0.79850922284555 63.546 > 29 31 Cu 0.46433524421260 0.48080069885274 0.08974227263330 63.546 > 31 32 Cu 0.96433524421260 0.48080069885274 0.08974227263330 63.546 > 31 33 Cu 0.41780077602270 0.89045566538904 0.95213716601711 63.546 > 33 34 Cu 0.91780077602270 0.89045566538904 0.95213716601711 63.546 > 33 35 Cu 0.37829387326209 0.88543418937041 0.43625693961420 63.546 > 35 36 Cu 0.87829387326209 0.88543418937041 0.43625693961420 63.546 > 35 37 Cu 0.03566475578740 0.98080069885274 0.41025772736670 63.546 > 37 38 Cu 0.53566475578740 0.98080069885274 0.41025772736670 63.546 > 37 39 Cu 0.37829387326209 0.61456581062959 0.93625693961420 63.546 > 39 40 Cu 0.87829387326209 0.61456581062959 0.93625693961420 63.546 > 39 41 Cu 0.38672404564660 0.37607973659035 0.67956444085191 63.546 > 41 42 Cu 0.88672404564660 0.37607973659035 0.67956444085191 63.546 > 41 43 Cu 0.33550765959988 0.39849931503666 0.20149077715445 63.546 > 43 44 Cu 0.83550765959988 0.39849931503666 0.20149077715445 63.546 > 43 45 Cu 0.11327595435340 0.87607973659035 0.82043555914809 63.546 > 45 46 Cu 0.61327595435340 0.87607973659035 0.82043555914809 63.546 > 45 47 Cu 0.08219922397730 0.10954433461096 0.04786283398289 63.546 > 47 48 Cu 0.58219922397730 0.10954433461096 0.04786283398289 63.546 > 47 49 Sb 0.34887527275575 0.25121354662337 0.44953198375037 121.760 > 49 50 Sb 0.84887527275575 0.25121354662337 0.44953198375037 121.760 > 49 51 Sb 0.09986801047203 0.25659647406907 0.29707052776104 121.760 > 51 52 Sb 0.59986801047203 0.25659647406907 0.29707052776104 121.760 > 51 53 Sb 0.15112472724425 0.75121354662337 0.05046801624963 121.760 > 53 54 Sb 0.65112472724425 0.75121354662337 0.05046801624963 121.760 > 53 55 Sb 0.40013198952797 0.74340352593093 0.70292947223896 121.760 > 55 56 Sb 0.90013198952797 0.74340352593093 0.70292947223896 121.760 > 55 57 Sb 0.34887527275575 0.24878645337663 0.94953198375037 121.760 > 57 58 Sb 0.84887527275575 0.24878645337663 0.94953198375037 121.760 > 57 59 Sb 0.40013198952797 0.75659647406907 0.20292947223896 121.760 > 59 60 Sb 0.90013198952797 0.75659647406907 0.20292947223896 121.760 > 59 61 Sb 0.09986801047203 0.24340352593093 0.79707052776104 121.760 > 61 62 Sb 0.59986801047203 0.24340352593093 0.79707052776104 121.760 > 61 63 Sb 0.15112472724425 0.74878645337663 0.55046801624963 121.760 > 63 64 Sb 0.65112472724425 0.74878645337663 0.55046801624963 121.760 > 63 65 S 0.22069032811234 0.23343893173343 0.66443121770923 32.065 > 65 66 S 0.72069032811234 0.23343893173343 0.66443121770923 32.065 > 65 67 S 0.15575414313764 0.43739891383552 0.40760367733530 32.065 > 67 68 S 0.65575414313764 0.43739891383552 0.40760367733530 32.065 > 67 69 S 0.41218004249201 0.06762121901286 0.84300665659040 32.065 > 69 70 S 0.91218004249201 0.06762121901286 0.84300665659040 32.065 > 69 71 S 0.02698128442281 0.74638473201126 0.92030534121815 32.065 > 71 72 S 0.52698128442281 0.74638473201126 0.92030534121815 32.065 > 71 73 S 0.02698128442281 0.75361526798874 0.42030534121815 32.065 > 73 74 S 0.52698128442281 0.75361526798874 0.42030534121815 32.065 > 73 75 S 0.17065885087616 0.42010206317472 0.90506988681727 32.065 > 75 76 S 0.67065885087616 0.42010206317472 0.90506988681727 32.065 > 75 77 S 0.34424585686236 0.56260108616448 0.59239632266470 32.065 > 77 78 S 0.84424585686236 0.56260108616448 0.59239632266470 32.065 > 77 79 S 0.15575414313764 0.06260108616448 0.90760367733530 32.065 > 79 80 S 0.65575414313764 0.06260108616448 0.90760367733530 32.065 > 79 81 S 0.32934114912384 0.57989793682528 0.09493011318273 32.065 > 81 82 S 0.82934114912384 0.57989793682528 0.09493011318273 32.065 > 81 83 S 0.08808321994406 0.92666346635551 0.65943034804706 32.065 > 83 84 S 0.58808321994406 0.92666346635551 0.65943034804706 32.065 > 83 85 S 0.32934114912384 0.92010206317472 0.59493011318273 32.065 > 85 86 S 0.82934114912384 0.92010206317472 0.59493011318273 32.065 > 85 87 S 0.41191678005594 0.42666346635551 0.84056965195294 32.065 > 87 88 S 0.91191678005594 0.42666346635551 0.84056965195294 32.065 > 87 89 S 0.08808321994406 0.57333653364449 0.15943034804706 32.065 > 89 90 S 0.58808321994406 0.57333653364449 0.15943034804706 32.065 > 89 91 S 0.08781995750799 0.56762121901286 0.65699334340960 32.065 > 91 92 S 0.58781995750799 0.56762121901286 0.65699334340960 32.065 > 91 93 S 0.34424585686236 0.93739891383552 0.09239632266470 32.065 > 93 94 S 0.84424585686236 0.93739891383552 0.09239632266470 32.065 > 93 95 S 0.17065885087616 0.07989793682528 0.40506988681727 32.065 > 95 96 S 0.67065885087616 0.07989793682528 0.40506988681727 32.065 > 95 97 S 0.27930967188766 0.73343893173343 0.83556878229077 32.065 > 97 98 S 0.77930967188766 0.73343893173343 0.83556878229077 32.065 > 97 99 S 0.47301871557719 0.25361526798874 0.07969465878185 32.065 > 99 100 S 0.97301871557719 0.25361526798874 0.07969465878185 32.065 > 99 101 S 0.47301871557719 0.24638473201126 0.57969465878185 32.065 > 101 102 S 0.97301871557719 0.24638473201126 0.57969465878185 32.065 > 101 103 S 0.27930967188766 0.76656106826657 0.33556878229077 32.065 > 103 104 S 0.77930967188766 0.76656106826657 0.33556878229077 32.065 > 103 105 S 0.41218004249201 0.43237878098714 0.34300665659040 32.065 > 105 106 S 0.91218004249201 0.43237878098714 0.34300665659040 32.065 > 105 107 S 0.41191678005594 0.07333653364449 0.34056965195294 32.065 > 107 108 S 0.91191678005594 0.07333653364449 0.34056965195294 32.065 > 107 109 S 0.22069032811234 0.26656106826657 0.16443121770923 32.065 > 109 110 S 0.72069032811234 0.26656106826657 0.16443121770923 32.065 > 109 111 S 0.08781995750799 0.93237878098714 0.15699334340960 32.065 > 111 112 S 0.58781995750799 0.93237878098714 0.15699334340960 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 14.0684216 0.0000000 -0.1877554 0.0000000 13.7112848 0.0000000 -0.1877547 0.0000000 12.3854448 -------------------------- Born effective charges -------------------------- 1 Cu 0.7686663 -0.0662484 0.1984835 0.0024535 0.7540303 0.1423815 0.0720760 0.1444863 0.4503847 2 Cu 0.9385963 0.1201246 -0.0644631 -0.0248561 0.7703416 0.0537540 -0.1118836 0.0737967 0.5334364 3 Cu 0.8724673 0.0131635 -0.0753196 0.0787726 0.7829052 -0.0381417 -0.0970959 0.0319897 0.4162140 4 Cu 0.4856279 -0.1097352 -0.0510373 -0.1183484 0.7154574 0.0666661 -0.0263016 0.0937176 0.5047268 5 Cu 0.8724673 -0.0131635 -0.0753196 -0.0787726 0.7829052 0.0381417 -0.0970959 -0.0319897 0.4162140 6 Cu 0.8724673 0.0131635 -0.0753196 0.0787726 0.7829052 -0.0381417 -0.0970959 0.0319897 0.4162140 7 Cu 0.7686663 0.0662484 0.1984835 -0.0024535 0.7540303 -0.1423815 0.0720760 -0.1444863 0.4503847 8 Cu 1.0272152 0.0314579 -0.1053260 -0.1417909 0.9729970 0.0458607 0.1720540 -0.0582900 0.4212074 9 Cu 0.9385963 -0.1201246 -0.0644631 0.0248561 0.7703416 -0.0537540 -0.1118836 -0.0737967 0.5334364 10 Cu 0.8724673 -0.0131635 -0.0753196 -0.0787726 0.7829052 0.0381417 -0.0970959 -0.0319897 0.4162140 11 Cu 0.4856279 -0.1097352 -0.0510373 -0.1183484 0.7154574 0.0666661 -0.0263016 0.0937176 0.5047268 12 Cu 0.5005802 0.0310893 0.0532236 0.1342746 0.7535472 0.0235716 0.0261342 0.0311428 0.5301157 13 Cu 1.0272152 -0.0314579 -0.1053260 0.1417909 0.9729970 -0.0458607 0.1720540 0.0582900 0.4212074 14 Cu 0.5005802 0.0310893 0.0532236 0.1342746 0.7535472 0.0235716 0.0261342 0.0311428 0.5301157 15 Cu 0.4856279 0.1097352 -0.0510373 0.1183484 0.7154574 -0.0666661 -0.0263016 -0.0937176 0.5047268 16 Cu 1.0272152 0.0314579 -0.1053260 -0.1417909 0.9729970 0.0458607 0.1720540 -0.0582900 0.4212074 17 Cu 0.5005802 -0.0310893 0.0532236 -0.1342746 0.7535472 -0.0235716 0.0261342 -0.0311428 0.5301157 18 Cu 0.7686663 0.0662484 0.1984835 -0.0024535 0.7540303 -0.1423815 0.0720760 -0.1444863 0.4503847 19 Cu 1.0272152 -0.0314579 -0.1053260 0.1417909 0.9729970 -0.0458607 0.1720540 0.0582900 0.4212074 20 Cu 0.7686663 -0.0662484 0.1984835 0.0024535 0.7540303 0.1423815 0.0720760 0.1444863 0.4503847 21 Cu 0.9385963 -0.1201246 -0.0644631 0.0248561 0.7703416 -0.0537540 -0.1118836 -0.0737967 0.5334364 22 Cu 0.4856279 0.1097352 -0.0510373 0.1183484 0.7154574 -0.0666661 -0.0263016 -0.0937176 0.5047268 23 Cu 0.9385963 0.1201246 -0.0644631 -0.0248561 0.7703416 0.0537540 -0.1118836 0.0737967 0.5334364 24 Cu 0.5005802 -0.0310893 0.0532236 -0.1342746 0.7535472 -0.0235716 0.0261342 -0.0311428 0.5301157 25 Sb 3.4495787 -0.3855336 0.2006952 -0.0756987 3.4203477 -0.1180571 0.1460043 -0.0734710 3.2113742 26 Sb 3.1135216 0.4025913 -0.3146450 -0.1629781 3.4934078 0.0785837 -0.2069234 -0.2008064 3.5522561 27 Sb 3.4495787 0.3855336 0.2006952 0.0756987 3.4203477 0.1180571 0.1460043 0.0734710 3.2113742 28 Sb 3.1135216 0.4025913 -0.3146450 -0.1629781 3.4934078 0.0785837 -0.2069234 -0.2008064 3.5522561 29 Sb 3.4495787 0.3855336 0.2006952 0.0756987 3.4203477 0.1180571 0.1460043 0.0734710 3.2113742 30 Sb 3.1135216 -0.4025913 -0.3146450 0.1629781 3.4934078 -0.0785837 -0.2069234 0.2008064 3.5522561 31 Sb 3.1135216 -0.4025913 -0.3146450 0.1629781 3.4934078 -0.0785837 -0.2069234 0.2008064 3.5522561 32 Sb 3.4495787 -0.3855336 0.2006952 -0.0756987 3.4203477 -0.1180571 0.1460043 -0.0734710 3.2113742 33 S -2.5134845 -0.0392683 0.5222193 -0.1584438 -1.2826410 0.0144937 0.8073210 0.0721258 -1.9161929 34 S -1.4685668 -0.1281720 -0.4184788 -0.4182460 -2.3478269 -0.7226623 -0.3659637 -0.5272216 -1.5058772 35 S -1.4214249 -0.3514948 0.3548057 0.4635465 -2.2201584 -0.7019986 0.4144209 -0.5496103 -1.4310828 36 S -2.5066617 -0.1806440 -0.5170147 -0.1159981 -1.3289910 -0.1578331 -0.7833786 -0.1089968 -1.7772471 37 S -2.5066617 0.1806440 -0.5170147 0.1159981 -1.3289910 0.1578331 -0.7833786 0.1089968 -1.7772471 38 S -1.6224240 0.4582834 -0.2657657 -0.2641846 -2.1934160 -0.5659177 -0.4802788 -0.5711390 -1.5843222 39 S -1.4685668 -0.1281720 -0.4184788 -0.4182460 -2.3478269 -0.7226623 -0.3659637 -0.5272216 -1.5058772 40 S -1.4685668 0.1281720 -0.4184788 0.4182460 -2.3478269 0.7226623 -0.3659637 0.5272216 -1.5058772 41 S -1.6224240 0.4582834 -0.2657657 -0.2641846 -2.1934160 -0.5659177 -0.4802788 -0.5711390 -1.5843222 42 S -1.6236916 0.1342382 0.4826230 0.3754691 -2.2900010 -0.4119275 0.4338150 -0.4456868 -1.4049932 43 S -1.6224240 -0.4582834 -0.2657657 0.2641846 -2.1934160 0.5659177 -0.4802788 0.5711390 -1.5843222 44 S -1.6236916 -0.1342382 0.4826230 -0.3754691 -2.2900010 0.4119275 0.4338150 0.4456868 -1.4049932 45 S -1.6236916 -0.1342382 0.4826230 -0.3754691 -2.2900010 0.4119275 0.4338150 0.4456868 -1.4049932 46 S -1.4214249 0.3514948 0.3548057 -0.4635465 -2.2201584 0.7019986 0.4144209 0.5496103 -1.4310828 47 S -1.4685668 0.1281720 -0.4184788 0.4182460 -2.3478269 0.7226623 -0.3659637 0.5272216 -1.5058772 48 S -1.6224240 -0.4582834 -0.2657657 0.2641846 -2.1934160 0.5659177 -0.4802788 0.5711390 -1.5843222 49 S -2.5134845 0.0392683 0.5222193 0.1584438 -1.2826410 -0.0144937 0.8073210 -0.0721258 -1.9161929 50 S -2.5066617 -0.1806440 -0.5170147 -0.1159981 -1.3289910 -0.1578331 -0.7833786 -0.1089968 -1.7772471 51 S -2.5066617 0.1806440 -0.5170147 0.1159981 -1.3289910 0.1578331 -0.7833786 0.1089968 -1.7772471 52 S -2.5134845 -0.0392683 0.5222193 -0.1584438 -1.2826410 0.0144937 0.8073210 0.0721258 -1.9161929 53 S -1.4214249 0.3514948 0.3548057 -0.4635465 -2.2201584 0.7019986 0.4144209 0.5496103 -1.4310828 54 S -1.6236916 0.1342382 0.4826230 0.3754691 -2.2900010 -0.4119275 0.4338150 -0.4456868 -1.4049932 55 S -2.5134845 0.0392683 0.5222193 0.1584438 -1.2826410 -0.0144937 0.8073210 -0.0721258 -1.9161929 56 S -1.4214249 -0.3514948 0.3548057 0.4635465 -2.2201584 -0.7019986 0.4144209 -0.5496103 -1.4310828 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 7, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 15, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 23, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 75, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 83, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (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 11:03:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:03:21]------------------------- 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 7.486116592872943 0.000000000000000 0.000000000000000 b 0.000000000000000 9.964165599999999 0.000000000000000 c -0.020170387973982 0.000000000000000 13.296966267374193 Atomic positions (fractional): 1 Cu 0.24341225347581 0.38543418937042 0.06374306038580 63.546 2 Cu 0.77344809129321 0.12392026340965 0.17956444085191 63.546 3 Cu 0.55710339261635 0.95469048750380 0.85463052448033 63.546 4 Cu 0.67101531919976 0.10150068496334 0.70149077715445 63.546 5 Cu 0.55710339261635 0.54530951249620 0.35463052448033 63.546 6 Cu 0.44289660738365 0.04530951249620 0.14536947551967 63.546 7 Cu 0.24341225347581 0.11456581062958 0.56374306038580 63.546 8 Cu 0.07132951157480 0.51919930114726 0.91025772736670 63.546 9 Cu 0.22655190870680 0.62392026340965 0.32043555914809 63.546 10 Cu 0.44289660738365 0.45469048750380 0.64536947551967 63.546 11 Cu 0.32898468080024 0.89849931503666 0.29850922284555 63.546 12 Cu 0.16439844795459 0.39045566538904 0.54786283398289 63.546 13 Cu 0.92867048842520 0.01919930114726 0.58974227263330 63.546 14 Cu 0.83560155204541 0.60954433461096 0.45213716601711 63.546 15 Cu 0.32898468080024 0.60150068496334 0.79850922284555 63.546 16 Cu 0.92867048842520 0.48080069885274 0.08974227263330 63.546 17 Cu 0.83560155204541 0.89045566538904 0.95213716601711 63.546 18 Cu 0.75658774652419 0.88543418937041 0.43625693961420 63.546 19 Cu 0.07132951157480 0.98080069885274 0.41025772736670 63.546 20 Cu 0.75658774652419 0.61456581062959 0.93625693961420 63.546 21 Cu 0.77344809129321 0.37607973659035 0.67956444085191 63.546 22 Cu 0.67101531919976 0.39849931503666 0.20149077715445 63.546 23 Cu 0.22655190870680 0.87607973659035 0.82043555914809 63.546 24 Cu 0.16439844795459 0.10954433461096 0.04786283398289 63.546 25 Sb 0.69775054551150 0.25121354662337 0.44953198375037 121.760 26 Sb 0.19973602094406 0.25659647406907 0.29707052776104 121.760 27 Sb 0.30224945448850 0.75121354662337 0.05046801624963 121.760 28 Sb 0.80026397905594 0.74340352593093 0.70292947223896 121.760 29 Sb 0.69775054551150 0.24878645337663 0.94953198375037 121.760 30 Sb 0.80026397905594 0.75659647406907 0.20292947223896 121.760 31 Sb 0.19973602094406 0.24340352593093 0.79707052776104 121.760 32 Sb 0.30224945448850 0.74878645337663 0.55046801624963 121.760 33 S 0.44138065622468 0.23343893173343 0.66443121770923 32.065 34 S 0.31150828627528 0.43739891383552 0.40760367733530 32.065 35 S 0.82436008498403 0.06762121901286 0.84300665659040 32.065 36 S 0.05396256884562 0.74638473201126 0.92030534121815 32.065 37 S 0.05396256884562 0.75361526798874 0.42030534121815 32.065 38 S 0.34131770175231 0.42010206317472 0.90506988681727 32.065 39 S 0.68849171372472 0.56260108616448 0.59239632266470 32.065 40 S 0.31150828627528 0.06260108616448 0.90760367733530 32.065 41 S 0.65868229824769 0.57989793682528 0.09493011318273 32.065 42 S 0.17616643988811 0.92666346635551 0.65943034804706 32.065 43 S 0.65868229824769 0.92010206317472 0.59493011318273 32.065 44 S 0.82383356011189 0.42666346635551 0.84056965195294 32.065 45 S 0.17616643988811 0.57333653364449 0.15943034804706 32.065 46 S 0.17563991501597 0.56762121901286 0.65699334340960 32.065 47 S 0.68849171372472 0.93739891383552 0.09239632266470 32.065 48 S 0.34131770175231 0.07989793682528 0.40506988681727 32.065 49 S 0.55861934377532 0.73343893173343 0.83556878229077 32.065 50 S 0.94603743115438 0.25361526798874 0.07969465878185 32.065 51 S 0.94603743115438 0.24638473201126 0.57969465878185 32.065 52 S 0.55861934377532 0.76656106826657 0.33556878229077 32.065 53 S 0.82436008498403 0.43237878098714 0.34300665659040 32.065 54 S 0.82383356011189 0.07333653364449 0.34056965195294 32.065 55 S 0.44138065622468 0.26656106826657 0.16443121770923 32.065 56 S 0.17563991501597 0.93237878098714 0.15699334340960 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.972233185745885 0.000000000000000 0.000000000000000 b 0.000000000000000 9.964165599999999 0.000000000000000 c -0.020170387973982 0.000000000000000 13.296966267374193 Atomic positions (fractional): 1 Cu 0.12170612673791 0.38543418937042 0.06374306038580 63.546 > 1 2 Cu 0.62170612673791 0.38543418937042 0.06374306038580 63.546 > 1 3 Cu 0.38672404564660 0.12392026340965 0.17956444085191 63.546 > 3 4 Cu 0.88672404564660 0.12392026340965 0.17956444085191 63.546 > 3 5 Cu 0.27855169630818 0.95469048750380 0.85463052448033 63.546 > 5 6 Cu 0.77855169630818 0.95469048750380 0.85463052448033 63.546 > 5 7 Cu 0.33550765959988 0.10150068496334 0.70149077715445 63.546 > 7 8 Cu 0.83550765959988 0.10150068496334 0.70149077715445 63.546 > 7 9 Cu 0.27855169630818 0.54530951249620 0.35463052448033 63.546 > 9 10 Cu 0.77855169630818 0.54530951249620 0.35463052448033 63.546 > 9 11 Cu 0.22144830369182 0.04530951249620 0.14536947551967 63.546 > 11 12 Cu 0.72144830369182 0.04530951249620 0.14536947551967 63.546 > 11 13 Cu 0.12170612673791 0.11456581062958 0.56374306038580 63.546 > 13 14 Cu 0.62170612673791 0.11456581062958 0.56374306038580 63.546 > 13 15 Cu 0.03566475578740 0.51919930114726 0.91025772736670 63.546 > 15 16 Cu 0.53566475578740 0.51919930114726 0.91025772736670 63.546 > 15 17 Cu 0.11327595435340 0.62392026340965 0.32043555914809 63.546 > 17 18 Cu 0.61327595435340 0.62392026340965 0.32043555914809 63.546 > 17 19 Cu 0.22144830369182 0.45469048750380 0.64536947551967 63.546 > 19 20 Cu 0.72144830369182 0.45469048750380 0.64536947551967 63.546 > 19 21 Cu 0.16449234040012 0.89849931503666 0.29850922284555 63.546 > 21 22 Cu 0.66449234040012 0.89849931503666 0.29850922284555 63.546 > 21 23 Cu 0.08219922397730 0.39045566538904 0.54786283398289 63.546 > 23 24 Cu 0.58219922397730 0.39045566538904 0.54786283398289 63.546 > 23 25 Cu 0.46433524421260 0.01919930114726 0.58974227263330 63.546 > 25 26 Cu 0.96433524421260 0.01919930114726 0.58974227263330 63.546 > 25 27 Cu 0.41780077602270 0.60954433461096 0.45213716601711 63.546 > 27 28 Cu 0.91780077602270 0.60954433461096 0.45213716601711 63.546 > 27 29 Cu 0.16449234040012 0.60150068496334 0.79850922284555 63.546 > 29 30 Cu 0.66449234040012 0.60150068496334 0.79850922284555 63.546 > 29 31 Cu 0.46433524421260 0.48080069885274 0.08974227263330 63.546 > 31 32 Cu 0.96433524421260 0.48080069885274 0.08974227263330 63.546 > 31 33 Cu 0.41780077602270 0.89045566538904 0.95213716601711 63.546 > 33 34 Cu 0.91780077602270 0.89045566538904 0.95213716601711 63.546 > 33 35 Cu 0.37829387326209 0.88543418937041 0.43625693961420 63.546 > 35 36 Cu 0.87829387326209 0.88543418937041 0.43625693961420 63.546 > 35 37 Cu 0.03566475578740 0.98080069885274 0.41025772736670 63.546 > 37 38 Cu 0.53566475578740 0.98080069885274 0.41025772736670 63.546 > 37 39 Cu 0.37829387326209 0.61456581062959 0.93625693961420 63.546 > 39 40 Cu 0.87829387326209 0.61456581062959 0.93625693961420 63.546 > 39 41 Cu 0.38672404564660 0.37607973659035 0.67956444085191 63.546 > 41 42 Cu 0.88672404564660 0.37607973659035 0.67956444085191 63.546 > 41 43 Cu 0.33550765959988 0.39849931503666 0.20149077715445 63.546 > 43 44 Cu 0.83550765959988 0.39849931503666 0.20149077715445 63.546 > 43 45 Cu 0.11327595435340 0.87607973659035 0.82043555914809 63.546 > 45 46 Cu 0.61327595435340 0.87607973659035 0.82043555914809 63.546 > 45 47 Cu 0.08219922397730 0.10954433461096 0.04786283398289 63.546 > 47 48 Cu 0.58219922397730 0.10954433461096 0.04786283398289 63.546 > 47 49 Sb 0.34887527275575 0.25121354662337 0.44953198375037 121.760 > 49 50 Sb 0.84887527275575 0.25121354662337 0.44953198375037 121.760 > 49 51 Sb 0.09986801047203 0.25659647406907 0.29707052776104 121.760 > 51 52 Sb 0.59986801047203 0.25659647406907 0.29707052776104 121.760 > 51 53 Sb 0.15112472724425 0.75121354662337 0.05046801624963 121.760 > 53 54 Sb 0.65112472724425 0.75121354662337 0.05046801624963 121.760 > 53 55 Sb 0.40013198952797 0.74340352593093 0.70292947223896 121.760 > 55 56 Sb 0.90013198952797 0.74340352593093 0.70292947223896 121.760 > 55 57 Sb 0.34887527275575 0.24878645337663 0.94953198375037 121.760 > 57 58 Sb 0.84887527275575 0.24878645337663 0.94953198375037 121.760 > 57 59 Sb 0.40013198952797 0.75659647406907 0.20292947223896 121.760 > 59 60 Sb 0.90013198952797 0.75659647406907 0.20292947223896 121.760 > 59 61 Sb 0.09986801047203 0.24340352593093 0.79707052776104 121.760 > 61 62 Sb 0.59986801047203 0.24340352593093 0.79707052776104 121.760 > 61 63 Sb 0.15112472724425 0.74878645337663 0.55046801624963 121.760 > 63 64 Sb 0.65112472724425 0.74878645337663 0.55046801624963 121.760 > 63 65 S 0.22069032811234 0.23343893173343 0.66443121770923 32.065 > 65 66 S 0.72069032811234 0.23343893173343 0.66443121770923 32.065 > 65 67 S 0.15575414313764 0.43739891383552 0.40760367733530 32.065 > 67 68 S 0.65575414313764 0.43739891383552 0.40760367733530 32.065 > 67 69 S 0.41218004249201 0.06762121901286 0.84300665659040 32.065 > 69 70 S 0.91218004249201 0.06762121901286 0.84300665659040 32.065 > 69 71 S 0.02698128442281 0.74638473201126 0.92030534121815 32.065 > 71 72 S 0.52698128442281 0.74638473201126 0.92030534121815 32.065 > 71 73 S 0.02698128442281 0.75361526798874 0.42030534121815 32.065 > 73 74 S 0.52698128442281 0.75361526798874 0.42030534121815 32.065 > 73 75 S 0.17065885087616 0.42010206317472 0.90506988681727 32.065 > 75 76 S 0.67065885087616 0.42010206317472 0.90506988681727 32.065 > 75 77 S 0.34424585686236 0.56260108616448 0.59239632266470 32.065 > 77 78 S 0.84424585686236 0.56260108616448 0.59239632266470 32.065 > 77 79 S 0.15575414313764 0.06260108616448 0.90760367733530 32.065 > 79 80 S 0.65575414313764 0.06260108616448 0.90760367733530 32.065 > 79 81 S 0.32934114912384 0.57989793682528 0.09493011318273 32.065 > 81 82 S 0.82934114912384 0.57989793682528 0.09493011318273 32.065 > 81 83 S 0.08808321994406 0.92666346635551 0.65943034804706 32.065 > 83 84 S 0.58808321994406 0.92666346635551 0.65943034804706 32.065 > 83 85 S 0.32934114912384 0.92010206317472 0.59493011318273 32.065 > 85 86 S 0.82934114912384 0.92010206317472 0.59493011318273 32.065 > 85 87 S 0.41191678005594 0.42666346635551 0.84056965195294 32.065 > 87 88 S 0.91191678005594 0.42666346635551 0.84056965195294 32.065 > 87 89 S 0.08808321994406 0.57333653364449 0.15943034804706 32.065 > 89 90 S 0.58808321994406 0.57333653364449 0.15943034804706 32.065 > 89 91 S 0.08781995750799 0.56762121901286 0.65699334340960 32.065 > 91 92 S 0.58781995750799 0.56762121901286 0.65699334340960 32.065 > 91 93 S 0.34424585686236 0.93739891383552 0.09239632266470 32.065 > 93 94 S 0.84424585686236 0.93739891383552 0.09239632266470 32.065 > 93 95 S 0.17065885087616 0.07989793682528 0.40506988681727 32.065 > 95 96 S 0.67065885087616 0.07989793682528 0.40506988681727 32.065 > 95 97 S 0.27930967188766 0.73343893173343 0.83556878229077 32.065 > 97 98 S 0.77930967188766 0.73343893173343 0.83556878229077 32.065 > 97 99 S 0.47301871557719 0.25361526798874 0.07969465878185 32.065 > 99 100 S 0.97301871557719 0.25361526798874 0.07969465878185 32.065 > 99 101 S 0.47301871557719 0.24638473201126 0.57969465878185 32.065 > 101 102 S 0.97301871557719 0.24638473201126 0.57969465878185 32.065 > 101 103 S 0.27930967188766 0.76656106826657 0.33556878229077 32.065 > 103 104 S 0.77930967188766 0.76656106826657 0.33556878229077 32.065 > 103 105 S 0.41218004249201 0.43237878098714 0.34300665659040 32.065 > 105 106 S 0.91218004249201 0.43237878098714 0.34300665659040 32.065 > 105 107 S 0.41191678005594 0.07333653364449 0.34056965195294 32.065 > 107 108 S 0.91191678005594 0.07333653364449 0.34056965195294 32.065 > 107 109 S 0.22069032811234 0.26656106826657 0.16443121770923 32.065 > 109 110 S 0.72069032811234 0.26656106826657 0.16443121770923 32.065 > 109 111 S 0.08781995750799 0.93237878098714 0.15699334340960 32.065 > 111 112 S 0.58781995750799 0.93237878098714 0.15699334340960 32.065 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 14.0684216 0.0000000 -0.1877554 0.0000000 13.7112848 0.0000000 -0.1877547 0.0000000 12.3854448 -------------------------- Born effective charges -------------------------- 1 Cu 0.7686663 -0.0662484 0.1984835 0.0024535 0.7540303 0.1423815 0.0720760 0.1444863 0.4503847 2 Cu 0.9385963 0.1201246 -0.0644631 -0.0248561 0.7703416 0.0537540 -0.1118836 0.0737967 0.5334364 3 Cu 0.8724673 0.0131635 -0.0753196 0.0787726 0.7829052 -0.0381417 -0.0970959 0.0319897 0.4162140 4 Cu 0.4856279 -0.1097352 -0.0510373 -0.1183484 0.7154574 0.0666661 -0.0263016 0.0937176 0.5047268 5 Cu 0.8724673 -0.0131635 -0.0753196 -0.0787726 0.7829052 0.0381417 -0.0970959 -0.0319897 0.4162140 6 Cu 0.8724673 0.0131635 -0.0753196 0.0787726 0.7829052 -0.0381417 -0.0970959 0.0319897 0.4162140 7 Cu 0.7686663 0.0662484 0.1984835 -0.0024535 0.7540303 -0.1423815 0.0720760 -0.1444863 0.4503847 8 Cu 1.0272152 0.0314579 -0.1053260 -0.1417909 0.9729970 0.0458607 0.1720540 -0.0582900 0.4212074 9 Cu 0.9385963 -0.1201246 -0.0644631 0.0248561 0.7703416 -0.0537540 -0.1118836 -0.0737967 0.5334364 10 Cu 0.8724673 -0.0131635 -0.0753196 -0.0787726 0.7829052 0.0381417 -0.0970959 -0.0319897 0.4162140 11 Cu 0.4856279 -0.1097352 -0.0510373 -0.1183484 0.7154574 0.0666661 -0.0263016 0.0937176 0.5047268 12 Cu 0.5005802 0.0310893 0.0532236 0.1342746 0.7535472 0.0235716 0.0261342 0.0311428 0.5301157 13 Cu 1.0272152 -0.0314579 -0.1053260 0.1417909 0.9729970 -0.0458607 0.1720540 0.0582900 0.4212074 14 Cu 0.5005802 0.0310893 0.0532236 0.1342746 0.7535472 0.0235716 0.0261342 0.0311428 0.5301157 15 Cu 0.4856279 0.1097352 -0.0510373 0.1183484 0.7154574 -0.0666661 -0.0263016 -0.0937176 0.5047268 16 Cu 1.0272152 0.0314579 -0.1053260 -0.1417909 0.9729970 0.0458607 0.1720540 -0.0582900 0.4212074 17 Cu 0.5005802 -0.0310893 0.0532236 -0.1342746 0.7535472 -0.0235716 0.0261342 -0.0311428 0.5301157 18 Cu 0.7686663 0.0662484 0.1984835 -0.0024535 0.7540303 -0.1423815 0.0720760 -0.1444863 0.4503847 19 Cu 1.0272152 -0.0314579 -0.1053260 0.1417909 0.9729970 -0.0458607 0.1720540 0.0582900 0.4212074 20 Cu 0.7686663 -0.0662484 0.1984835 0.0024535 0.7540303 0.1423815 0.0720760 0.1444863 0.4503847 21 Cu 0.9385963 -0.1201246 -0.0644631 0.0248561 0.7703416 -0.0537540 -0.1118836 -0.0737967 0.5334364 22 Cu 0.4856279 0.1097352 -0.0510373 0.1183484 0.7154574 -0.0666661 -0.0263016 -0.0937176 0.5047268 23 Cu 0.9385963 0.1201246 -0.0644631 -0.0248561 0.7703416 0.0537540 -0.1118836 0.0737967 0.5334364 24 Cu 0.5005802 -0.0310893 0.0532236 -0.1342746 0.7535472 -0.0235716 0.0261342 -0.0311428 0.5301157 25 Sb 3.4495787 -0.3855336 0.2006952 -0.0756987 3.4203477 -0.1180571 0.1460043 -0.0734710 3.2113742 26 Sb 3.1135216 0.4025913 -0.3146450 -0.1629781 3.4934078 0.0785837 -0.2069234 -0.2008064 3.5522561 27 Sb 3.4495787 0.3855336 0.2006952 0.0756987 3.4203477 0.1180571 0.1460043 0.0734710 3.2113742 28 Sb 3.1135216 0.4025913 -0.3146450 -0.1629781 3.4934078 0.0785837 -0.2069234 -0.2008064 3.5522561 29 Sb 3.4495787 0.3855336 0.2006952 0.0756987 3.4203477 0.1180571 0.1460043 0.0734710 3.2113742 30 Sb 3.1135216 -0.4025913 -0.3146450 0.1629781 3.4934078 -0.0785837 -0.2069234 0.2008064 3.5522561 31 Sb 3.1135216 -0.4025913 -0.3146450 0.1629781 3.4934078 -0.0785837 -0.2069234 0.2008064 3.5522561 32 Sb 3.4495787 -0.3855336 0.2006952 -0.0756987 3.4203477 -0.1180571 0.1460043 -0.0734710 3.2113742 33 S -2.5134845 -0.0392683 0.5222193 -0.1584438 -1.2826410 0.0144937 0.8073210 0.0721258 -1.9161929 34 S -1.4685668 -0.1281720 -0.4184788 -0.4182460 -2.3478269 -0.7226623 -0.3659637 -0.5272216 -1.5058772 35 S -1.4214249 -0.3514948 0.3548057 0.4635465 -2.2201584 -0.7019986 0.4144209 -0.5496103 -1.4310828 36 S -2.5066617 -0.1806440 -0.5170147 -0.1159981 -1.3289910 -0.1578331 -0.7833786 -0.1089968 -1.7772471 37 S -2.5066617 0.1806440 -0.5170147 0.1159981 -1.3289910 0.1578331 -0.7833786 0.1089968 -1.7772471 38 S -1.6224240 0.4582834 -0.2657657 -0.2641846 -2.1934160 -0.5659177 -0.4802788 -0.5711390 -1.5843222 39 S -1.4685668 -0.1281720 -0.4184788 -0.4182460 -2.3478269 -0.7226623 -0.3659637 -0.5272216 -1.5058772 40 S -1.4685668 0.1281720 -0.4184788 0.4182460 -2.3478269 0.7226623 -0.3659637 0.5272216 -1.5058772 41 S -1.6224240 0.4582834 -0.2657657 -0.2641846 -2.1934160 -0.5659177 -0.4802788 -0.5711390 -1.5843222 42 S -1.6236916 0.1342382 0.4826230 0.3754691 -2.2900010 -0.4119275 0.4338150 -0.4456868 -1.4049932 43 S -1.6224240 -0.4582834 -0.2657657 0.2641846 -2.1934160 0.5659177 -0.4802788 0.5711390 -1.5843222 44 S -1.6236916 -0.1342382 0.4826230 -0.3754691 -2.2900010 0.4119275 0.4338150 0.4456868 -1.4049932 45 S -1.6236916 -0.1342382 0.4826230 -0.3754691 -2.2900010 0.4119275 0.4338150 0.4456868 -1.4049932 46 S -1.4214249 0.3514948 0.3548057 -0.4635465 -2.2201584 0.7019986 0.4144209 0.5496103 -1.4310828 47 S -1.4685668 0.1281720 -0.4184788 0.4182460 -2.3478269 0.7226623 -0.3659637 0.5272216 -1.5058772 48 S -1.6224240 -0.4582834 -0.2657657 0.2641846 -2.1934160 0.5659177 -0.4802788 0.5711390 -1.5843222 49 S -2.5134845 0.0392683 0.5222193 0.1584438 -1.2826410 -0.0144937 0.8073210 -0.0721258 -1.9161929 50 S -2.5066617 -0.1806440 -0.5170147 -0.1159981 -1.3289910 -0.1578331 -0.7833786 -0.1089968 -1.7772471 51 S -2.5066617 0.1806440 -0.5170147 0.1159981 -1.3289910 0.1578331 -0.7833786 0.1089968 -1.7772471 52 S -2.5134845 -0.0392683 0.5222193 -0.1584438 -1.2826410 0.0144937 0.8073210 0.0721258 -1.9161929 53 S -1.4214249 0.3514948 0.3548057 -0.4635465 -2.2201584 0.7019986 0.4144209 0.5496103 -1.4310828 54 S -1.6236916 0.1342382 0.4826230 0.3754691 -2.2900010 -0.4119275 0.4338150 -0.4456868 -1.4049932 55 S -2.5134845 0.0392683 0.5222193 0.1584438 -1.2826410 -0.0144937 0.8073210 -0.0721258 -1.9161929 56 S -1.4214249 -0.3514948 0.3548057 0.4635465 -2.2201584 -0.7019986 0.4144209 -0.5496103 -1.4310828 ---------------------------------------------------------------------------- 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 ... [ 7 5 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 305, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.805 ( 0.000 0.000 0.000) 0.000 1.023 ( 0.000 0.000 0.000) 0.000 1.041 ( 0.000 0.000 0.000) 0.000 1.045 ( 0.000 0.000 0.000) 0.000 1.181 ( 0.000 0.000 0.000) 0.000 1.201 ( 0.000 0.000 0.000) 0.000 1.211 ( 0.000 0.000 0.000) 0.000 1.273 ( 0.000 0.000 0.000) 0.000 1.285 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.387 ( 0.000 0.000 0.000) 0.000 1.393 ( 0.000 0.000 0.000) 0.000 1.447 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 0.000) 0.000 1.513 ( 0.000 0.000 0.000) 0.000 1.516 ( 0.000 0.000 0.000) 0.000 1.557 ( 0.000 0.000 0.000) 0.000 1.580 ( 0.000 0.000 0.000) 0.000 1.593 ( 0.000 0.000 0.000) 0.000 1.607 ( 0.000 0.000 0.000) 0.000 1.659 ( 0.000 0.000 0.000) 0.000 1.697 ( 0.000 0.000 0.000) 0.000 1.699 ( 0.000 0.000 0.000) 0.000 1.728 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.761 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.801 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 1.850 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.013 ( 0.000 0.000 0.000) 0.000 2.021 ( 0.000 0.000 0.000) 0.000 2.023 ( 0.000 0.000 0.000) 0.000 2.072 ( 0.000 0.000 0.000) 0.000 2.097 ( 0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 0.000) 0.000 2.183 ( 0.000 0.000 0.000) 0.000 2.193 ( 0.000 0.000 0.000) 0.000 2.217 ( 0.000 0.000 0.000) 0.000 2.232 ( 0.000 0.000 0.000) 0.000 2.296 ( 0.000 0.000 0.000) 0.000 2.338 ( 0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.363 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.660 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.699 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.033 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.405 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.706 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.820 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.937 ( 0.000 0.000 0.000) 0.000 3.968 ( 0.000 0.000 0.000) 0.000 4.012 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.148 ( 0.000 0.000 0.000) 0.000 4.365 ( 0.000 0.000 0.000) 0.000 4.379 ( 0.000 0.000 0.000) 0.000 4.445 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.684 ( 0.000 0.000 0.000) 0.000 4.716 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 4.879 ( 0.000 0.000 0.000) 0.000 4.893 ( 0.000 0.000 0.000) 0.000 4.910 ( 0.000 0.000 0.000) 0.000 5.026 ( 0.000 0.000 0.000) 0.000 5.047 ( 0.000 0.000 0.000) 0.000 5.284 ( 0.000 0.000 0.000) 0.000 5.376 ( 0.000 0.000 0.000) 0.000 6.261 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.267 ( 0.000 0.000 0.000) 0.000 6.312 ( 0.000 0.000 0.000) 0.000 6.685 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.731 ( 0.000 0.000 0.000) 0.000 7.133 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.234 ( 0.000 0.000 0.000) 0.000 7.375 ( 0.000 0.000 0.000) 0.000 7.417 ( 0.000 0.000 0.000) 0.000 7.425 ( 0.000 0.000 0.000) 0.000 7.492 ( 0.000 0.000 0.000) 0.000 7.640 ( 0.000 0.000 0.000) 0.000 7.867 ( 0.000 0.000 0.000) 0.000 7.887 ( 0.000 0.000 0.000) 0.000 7.966 ( 0.000 0.000 0.000) 0.000 8.013 ( 0.000 0.000 0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 8.237 ( 0.000 0.000 0.000) 0.000 8.280 ( 0.000 0.000 0.000) 0.000 8.294 ( 0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 0.000) 0.000 8.359 ( 0.000 0.000 0.000) 0.000 8.409 ( 0.000 0.000 0.000) 0.000 8.448 ( 0.000 0.000 0.000) 0.000 8.587 ( 0.000 0.000 0.000) 0.000 8.632 ( 0.000 0.000 0.000) 0.000 8.685 ( 0.000 0.000 0.000) 0.000 8.692 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.720 ( 0.000 0.000 0.000) 0.000 8.764 ( 0.000 0.000 0.000) 0.000 8.803 ( 0.000 0.000 0.000) 0.000 8.867 ( 0.000 0.000 0.000) 0.000 8.892 ( 0.000 0.000 0.000) 0.000 8.922 ( 0.000 0.000 0.000) 0.000 8.932 ( 0.000 0.000 0.000) 0.000 8.972 ( 0.000 0.000 0.000) 0.000 8.984 ( 0.000 0.000 0.000) 0.000 9.182 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.317 ( 0.000 0.000 0.000) 0.000 9.324 ( 0.000 0.000 0.000) 0.000 9.331 ( 0.000 0.000 0.000) 0.000 9.433 ( 0.000 0.000 0.000) 0.000 9.581 ( 0.000 0.000 0.000) 0.000 9.637 ( 0.000 0.000 0.000) 0.000 9.732 ( 0.000 0.000 0.000) 0.000 9.738 ( 0.000 0.000 0.000) 0.000 9.776 ( 0.000 0.000 0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 9.893 ( 0.000 0.000 0.000) 0.000 9.956 ( 0.000 0.000 0.000) 0.000 9.991 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 0.000) 0.000 10.098 ( 0.000 0.000 0.000) 0.000 10.132 ( 0.000 0.000 0.000) 0.000 10.142 ( 0.000 0.000 0.000) 0.000 10.146 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000 10.392 ( 0.000 0.000 0.000) 0.000 10.471 ( 0.000 0.000 0.000) 0.000 10.491 ( 0.000 0.000 0.000) 0.000 10.544 ( 0.000 0.000 0.000) 0.000 10.609 ( 0.000 0.000 0.000) 0.000 10.613 ( 0.000 0.000 0.000) 0.000 10.753 ( 0.000 0.000 0.000) 0.000 10.759 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.292 ( 14.970 0.000 -0.050) 14.970 0.360 ( 17.041 0.000 -2.109) 17.171 0.644 ( 29.863 0.000 0.628) 29.870 0.822 ( 2.136 0.000 0.566) 2.210 0.996 ( -3.414 0.000 -0.606) 3.467 1.006 ( -5.231 0.000 2.276) 5.705 1.038 ( 0.127 0.000 1.209) 1.216 1.185 ( 1.795 0.000 0.678) 1.918 1.200 ( 0.224 0.000 -1.580) 1.596 1.243 ( 2.042 0.000 -0.832) 2.205 1.257 ( 1.208 0.000 0.755) 1.424 1.343 ( 3.001 0.000 0.893) 3.132 1.358 ( 2.988 0.000 1.434) 3.315 1.399 ( -0.076 0.000 -0.061) 0.098 1.404 ( -2.998 0.000 -2.306) 3.782 1.429 ( 2.926 0.000 -3.279) 4.395 1.476 ( -0.502 0.000 -0.642) 0.815 1.517 ( -0.340 0.000 0.312) 0.462 1.520 ( 0.242 0.000 2.067) 2.081 1.549 ( 0.599 0.000 -0.978) 1.147 1.580 ( -1.786 0.000 0.506) 1.857 1.603 ( -0.898 0.000 2.479) 2.637 1.614 ( 2.509 0.000 -0.158) 2.514 1.652 ( -0.494 0.000 1.258) 1.351 1.669 ( -2.163 0.000 -3.459) 4.079 1.673 ( -0.741 0.000 -1.950) 2.087 1.696 ( -2.214 0.000 2.962) 3.698 1.758 ( -0.501 0.000 -0.113) 0.514 1.764 ( 0.389 0.000 -1.641) 1.686 1.792 ( -1.476 0.000 -0.968) 1.766 1.798 ( 3.195 0.000 0.982) 3.342 1.847 ( 0.315 0.000 0.132) 0.342 1.851 ( 0.232 0.000 -0.667) 0.706 1.877 ( 2.434 0.000 -1.613) 2.920 1.890 ( 1.049 0.000 2.344) 2.568 1.960 ( -3.705 0.000 0.286) 3.716 1.977 ( 1.454 0.000 -2.075) 2.533 2.015 ( -1.472 0.000 0.969) 1.762 2.029 ( -0.245 0.000 1.363) 1.385 2.039 ( -1.804 0.000 0.046) 1.805 2.092 ( -1.055 0.000 -0.761) 1.301 2.145 ( -2.858 0.000 1.254) 3.121 2.149 ( -2.517 0.000 1.547) 2.954 2.174 ( 0.313 0.000 -1.992) 2.016 2.187 ( -0.971 0.000 -0.135) 0.981 2.284 ( -1.221 0.000 0.417) 1.290 2.292 ( 0.584 0.000 1.605) 1.708 2.307 ( 0.752 0.000 0.568) 0.942 2.370 ( 0.052 0.000 1.234) 1.235 2.390 ( 2.736 0.000 0.795) 2.849 2.407 ( 2.316 0.000 -2.648) 3.518 2.478 ( -2.112 0.000 0.775) 2.249 2.483 ( 2.389 0.000 -0.620) 2.468 2.561 ( -0.378 0.000 0.511) 0.635 2.596 ( -0.248 0.000 0.571) 0.622 2.667 ( -1.378 0.000 -0.336) 1.418 2.672 ( 1.660 0.000 -3.156) 3.566 2.685 ( -0.912 0.000 1.004) 1.357 2.781 ( 0.339 0.000 -0.723) 0.799 2.815 ( 0.779 0.000 -0.916) 1.203 2.837 ( 2.040 0.000 -2.122) 2.944 2.921 ( 1.688 0.000 -0.909) 1.917 3.004 ( -2.951 0.000 3.156) 4.321 3.026 ( -1.096 0.000 5.743) 5.846 3.100 ( 2.505 0.000 0.383) 2.535 3.114 ( -1.860 0.000 -1.419) 2.339 3.160 ( 0.988 0.000 -2.650) 2.828 3.275 ( 1.196 0.000 1.125) 1.642 3.307 ( -1.287 0.000 -0.291) 1.319 3.449 ( 2.847 0.000 -3.763) 4.719 3.532 ( -0.461 0.000 2.398) 2.442 3.580 ( 1.784 0.000 -2.318) 2.925 3.711 ( 0.400 0.000 -0.911) 0.995 3.725 ( -0.855 0.000 -0.242) 0.888 3.809 ( -0.199 0.000 0.979) 0.999 3.852 ( -0.875 0.000 2.838) 2.969 3.924 ( -6.361 0.000 -0.759) 6.406 3.942 ( 0.508 0.000 -0.555) 0.752 3.997 ( 0.630 0.000 1.415) 1.549 4.102 ( -1.858 0.000 -0.617) 1.958 4.194 ( 2.028 0.000 -4.085) 4.561 4.250 ( -5.565 0.000 5.399) 7.754 4.477 ( 2.774 0.000 1.121) 2.992 4.493 ( 5.121 0.000 -2.085) 5.529 4.537 ( 0.524 0.000 -2.413) 2.469 4.689 ( -2.552 0.000 -2.367) 3.480 4.699 ( 1.719 0.000 1.547) 2.313 4.748 ( -1.606 0.000 2.762) 3.195 4.838 ( -1.669 0.000 1.821) 2.470 4.894 ( 1.350 0.000 -1.608) 2.100 4.940 ( 3.616 0.000 -0.669) 3.677 4.961 ( 1.176 0.000 -2.158) 2.458 5.027 ( -0.246 0.000 1.746) 1.763 5.029 ( 0.591 0.000 0.473) 0.757 5.301 ( 1.586 0.000 -1.375) 2.100 5.372 ( -0.631 0.000 1.095) 1.264 6.256 ( -0.246 0.000 -0.523) 0.579 6.279 ( 0.952 0.000 0.521) 1.085 6.315 ( 0.346 0.000 -0.519) 0.624 6.319 ( 0.111 0.000 0.740) 0.749 6.698 ( 1.267 0.000 -0.107) 1.271 6.705 ( 0.895 0.000 0.237) 0.926 6.736 ( 0.531 0.000 -0.359) 0.641 6.774 ( 0.226 0.000 0.186) 0.292 7.146 ( 1.323 0.000 -0.051) 1.324 7.222 ( -0.164 0.000 -1.211) 1.222 7.243 ( 0.600 0.000 2.142) 2.225 7.370 ( -0.661 0.000 -0.124) 0.672 7.405 ( -1.119 0.000 -0.512) 1.231 7.426 ( 0.054 0.000 0.458) 0.461 7.495 ( -0.494 0.000 3.010) 3.051 7.612 ( -2.681 0.000 -0.768) 2.789 7.853 ( -1.109 0.000 1.339) 1.739 7.959 ( -0.725 0.000 0.522) 0.893 8.053 ( 3.503 0.000 -0.346) 3.520 8.055 ( 0.231 0.000 -1.548) 1.565 8.193 ( -0.332 0.000 -0.095) 0.346 8.222 ( -0.970 0.000 1.487) 1.776 8.254 ( -1.826 0.000 -0.252) 1.843 8.309 ( 1.045 0.000 -1.009) 1.453 8.336 ( 1.273 0.000 -0.360) 1.322 8.426 ( 1.838 0.000 0.803) 2.006 8.438 ( -0.896 0.000 -0.213) 0.921 8.569 ( -1.569 0.000 -1.383) 2.091 8.625 ( 1.625 0.000 -6.837) 7.027 8.648 ( 1.531 0.000 0.558) 1.630 8.677 ( -1.374 0.000 -0.758) 1.569 8.686 ( -0.057 0.000 0.032) 0.066 8.707 ( -1.604 0.000 1.776) 2.393 8.713 ( -0.751 0.000 1.452) 1.635 8.739 ( -1.908 0.000 -0.781) 2.061 8.795 ( -0.312 0.000 -1.770) 1.798 8.867 ( -0.361 0.000 0.164) 0.397 8.891 ( -0.138 0.000 -0.752) 0.764 8.928 ( 0.622 0.000 1.074) 1.241 8.934 ( 0.180 0.000 -0.096) 0.204 8.982 ( -0.131 0.000 0.829) 0.839 9.002 ( 1.113 0.000 4.028) 4.179 9.174 ( -0.983 0.000 -0.274) 1.021 9.229 ( -0.208 0.000 -0.928) 0.951 9.233 ( 0.527 0.000 1.662) 1.743 9.308 ( -1.088 0.000 0.524) 1.207 9.315 ( -1.313 0.000 -2.068) 2.449 9.329 ( 0.325 0.000 1.015) 1.065 9.443 ( 0.517 0.000 2.995) 3.039 9.577 ( -0.431 0.000 -0.635) 0.767 9.630 ( -0.475 0.000 0.903) 1.020 9.740 ( 0.236 0.000 0.641) 0.684 9.787 ( 0.851 0.000 -0.737) 1.126 9.807 ( 0.941 0.000 -2.242) 2.431 9.878 ( -0.246 0.000 0.004) 0.246 9.893 ( -0.038 0.000 -0.259) 0.262 9.966 ( 0.960 0.000 0.224) 0.986 10.000 ( 0.969 0.000 0.167) 0.983 10.080 ( -0.860 0.000 -0.528) 1.009 10.112 ( -0.100 0.000 0.125) 0.160 10.112 ( -0.507 0.000 -1.278) 1.375 10.160 ( 0.539 0.000 0.495) 0.732 10.166 ( 1.191 0.000 -2.579) 2.841 10.168 ( 1.166 0.000 2.950) 3.172 10.385 ( -0.623 0.000 -0.704) 0.940 10.454 ( -1.859 0.000 -0.680) 1.980 10.485 ( -0.785 0.000 0.776) 1.104 10.539 ( -0.532 0.000 -0.098) 0.541 10.612 ( -0.059 0.000 0.095) 0.112 10.627 ( 0.007 0.000 0.397) 0.397 10.754 ( 0.156 0.000 0.252) 0.296 10.768 ( 0.877 0.000 -0.429) 0.976 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( 11.850 0.000 -0.597) 11.865 0.611 ( 8.559 0.000 -3.675) 9.315 0.852 ( -3.788 0.000 3.206) 4.963 0.895 ( 3.153 0.000 -0.218) 3.160 0.922 ( -0.832 0.000 2.338) 2.482 0.995 ( 0.438 0.000 1.220) 1.296 1.165 ( 6.211 0.000 0.373) 6.222 1.196 ( 2.512 0.000 2.170) 3.320 1.247 ( 3.403 0.000 1.383) 3.673 1.276 ( 0.778 0.000 -6.287) 6.335 1.311 ( 2.321 0.000 -3.941) 4.574 1.346 ( 0.110 0.000 2.782) 2.785 1.399 ( 1.946 0.000 0.294) 1.968 1.400 ( 1.615 0.000 1.338) 2.097 1.425 ( 3.306 0.000 2.079) 3.906 1.467 ( 1.028 0.000 -5.010) 5.114 1.470 ( 0.404 0.000 0.316) 0.513 1.516 ( 1.716 0.000 0.736) 1.867 1.540 ( 1.088 0.000 1.699) 2.018 1.545 ( -1.512 0.000 -1.963) 2.478 1.558 ( 1.746 0.000 2.256) 2.852 1.625 ( 3.540 0.000 1.452) 3.827 1.649 ( -0.877 0.000 -2.090) 2.267 1.654 ( 0.978 0.000 -0.849) 1.296 1.665 ( 1.611 0.000 -0.861) 1.826 1.673 ( 1.416 0.000 -0.209) 1.432 1.691 ( 1.847 0.000 3.307) 3.788 1.725 ( -3.329 0.000 -1.739) 3.756 1.763 ( 0.574 0.000 0.062) 0.577 1.779 ( 0.368 0.000 -0.730) 0.817 1.793 ( -4.607 0.000 0.844) 4.684 1.842 ( -2.724 0.000 -0.796) 2.838 1.862 ( 1.594 0.000 0.674) 1.731 1.885 ( 2.275 0.000 0.414) 2.312 1.917 ( 0.473 0.000 -2.961) 2.998 1.942 ( -1.322 0.000 -2.638) 2.950 1.955 ( -2.470 0.000 -0.477) 2.515 1.980 ( -0.348 0.000 4.634) 4.647 2.003 ( 0.297 0.000 1.431) 1.461 2.017 ( -3.479 0.000 -2.017) 4.021 2.063 ( -1.609 0.000 0.171) 1.618 2.090 ( -2.988 0.000 0.398) 3.015 2.120 ( -4.257 0.000 -0.900) 4.351 2.132 ( 0.796 0.000 2.309) 2.442 2.195 ( -0.072 0.000 -1.540) 1.542 2.265 ( -0.933 0.000 -3.309) 3.438 2.291 ( 0.015 0.000 1.900) 1.900 2.304 ( -0.874 0.000 3.163) 3.282 2.363 ( -0.553 0.000 4.319) 4.355 2.429 ( 0.988 0.000 -2.231) 2.440 2.443 ( 1.898 0.000 -0.445) 1.950 2.481 ( 1.606 0.000 0.639) 1.729 2.537 ( 2.228 0.000 -0.916) 2.409 2.539 ( -1.232 0.000 -1.154) 1.688 2.589 ( -0.485 0.000 0.890) 1.014 2.646 ( -0.164 0.000 1.745) 1.753 2.683 ( 1.210 0.000 -1.007) 1.574 2.714 ( 1.739 0.000 -2.668) 3.184 2.810 ( -0.470 0.000 0.666) 0.815 2.817 ( 2.671 0.000 -3.241) 4.200 2.880 ( 2.011 0.000 -1.245) 2.365 2.932 ( -4.556 0.000 3.779) 5.919 2.947 ( -0.304 0.000 3.766) 3.778 3.017 ( 2.264 0.000 -1.350) 2.636 3.106 ( 0.626 0.000 -1.220) 1.371 3.144 ( 1.914 0.000 1.395) 2.369 3.182 ( 1.061 0.000 -1.773) 2.066 3.272 ( -2.139 0.000 0.085) 2.141 3.318 ( 3.183 0.000 -0.169) 3.187 3.472 ( -0.537 0.000 -2.505) 2.562 3.521 ( -0.574 0.000 1.148) 1.284 3.615 ( 1.688 0.000 -2.065) 2.667 3.667 ( -4.794 0.000 1.024) 4.902 3.716 ( -0.237 0.000 -1.182) 1.205 3.765 ( -6.778 0.000 6.070) 9.099 3.843 ( 3.213 0.000 -0.954) 3.352 3.865 ( -0.435 0.000 -3.231) 3.261 3.955 ( 0.852 0.000 -1.350) 1.596 4.014 ( 0.827 0.000 1.091) 1.369 4.062 ( -1.969 0.000 -1.038) 2.226 4.158 ( -4.266 0.000 6.636) 7.889 4.236 ( 2.928 0.000 -2.449) 3.817 4.525 ( 1.772 0.000 0.325) 1.801 4.540 ( 0.826 0.000 -1.108) 1.382 4.568 ( 1.835 0.000 -1.721) 2.516 4.618 ( -4.689 0.000 -1.208) 4.843 4.724 ( -0.767 0.000 2.019) 2.159 4.749 ( 3.069 0.000 -0.222) 3.077 4.824 ( -0.004 0.000 1.209) 1.209 4.908 ( -4.361 0.000 1.913) 4.762 4.921 ( 1.038 0.000 -2.693) 2.886 5.015 ( 3.960 0.000 0.351) 3.975 5.059 ( 2.674 0.000 -0.528) 2.725 5.077 ( 3.312 0.000 -0.309) 3.326 5.335 ( 1.704 0.000 -1.685) 2.396 5.349 ( -1.869 0.000 2.012) 2.746 6.252 ( -0.236 0.000 -0.375) 0.443 6.298 ( 0.995 0.000 0.389) 1.069 6.320 ( 0.132 0.000 -0.114) 0.174 6.323 ( 0.287 0.000 0.069) 0.295 6.723 ( 0.749 0.000 0.347) 0.826 6.726 ( 1.488 0.000 -0.029) 1.488 6.749 ( 0.710 0.000 -0.554) 0.900 6.783 ( 0.704 0.000 0.273) 0.755 7.181 ( 2.246 0.000 0.010) 2.246 7.221 ( 0.036 0.000 -1.089) 1.090 7.255 ( 0.577 0.000 1.117) 1.257 7.342 ( -2.217 0.000 -0.125) 2.221 7.390 ( -0.198 0.000 -0.615) 0.646 7.429 ( 0.301 0.000 0.553) 0.630 7.482 ( -0.821 0.000 1.495) 1.706 7.550 ( -3.460 0.000 -0.745) 3.539 7.831 ( -1.120 0.000 0.708) 1.325 7.942 ( -0.945 0.000 0.753) 1.208 8.055 ( -0.303 0.000 -1.481) 1.512 8.117 ( 2.360 0.000 0.418) 2.397 8.186 ( -0.140 0.000 -0.489) 0.509 8.220 ( 0.892 0.000 0.470) 1.008 8.233 ( 0.007 0.000 0.327) 0.327 8.323 ( 0.274 0.000 -0.182) 0.329 8.358 ( 0.987 0.000 -0.926) 1.353 8.422 ( -0.632 0.000 0.117) 0.642 8.478 ( 3.224 0.000 1.292) 3.473 8.536 ( -1.550 0.000 -1.640) 2.256 8.615 ( -2.913 0.000 -0.402) 2.941 8.644 ( -3.666 0.000 0.419) 3.690 8.670 ( -0.188 0.000 0.583) 0.612 8.676 ( 0.786 0.000 -1.259) 1.484 8.693 ( -0.033 0.000 -0.043) 0.054 8.706 ( 0.993 0.000 -0.204) 1.014 8.724 ( 1.168 0.000 0.690) 1.356 8.798 ( 0.393 0.000 -1.179) 1.242 8.857 ( -0.334 0.000 -0.910) 0.969 8.884 ( -0.751 0.000 -0.547) 0.929 8.936 ( -0.089 0.000 1.676) 1.678 8.943 ( 0.721 0.000 -0.782) 1.064 8.981 ( 0.276 0.000 1.715) 1.737 9.025 ( 1.158 0.000 1.419) 1.831 9.150 ( -1.391 0.000 -0.141) 1.398 9.197 ( -3.483 0.000 -1.554) 3.814 9.241 ( 0.036 0.000 1.140) 1.141 9.282 ( -1.318 0.000 0.503) 1.411 9.298 ( -0.152 0.000 -1.995) 2.001 9.336 ( 0.289 0.000 0.768) 0.821 9.461 ( 1.319 0.000 1.465) 1.972 9.564 ( -0.916 0.000 -1.014) 1.366 9.625 ( 0.033 0.000 0.714) 0.714 9.744 ( 0.009 0.000 1.520) 1.520 9.798 ( 0.231 0.000 -1.383) 1.402 9.828 ( 1.169 0.000 -1.028) 1.557 9.874 ( -0.102 0.000 0.022) 0.105 9.890 ( -0.337 0.000 -0.126) 0.359 9.988 ( 1.205 0.000 0.170) 1.217 10.023 ( 1.240 0.000 0.138) 1.247 10.071 ( 0.199 0.000 -0.624) 0.655 10.112 ( 0.357 0.000 -0.377) 0.519 10.116 ( 0.533 0.000 0.214) 0.574 10.173 ( 0.817 0.000 0.288) 0.866 10.177 ( -0.241 0.000 2.675) 2.686 10.191 ( 1.371 0.000 -2.198) 2.591 10.371 ( -0.701 0.000 -0.884) 1.128 10.412 ( -2.382 0.000 0.053) 2.383 10.463 ( -1.307 0.000 0.818) 1.542 10.525 ( -0.856 0.000 -0.232) 0.887 10.613 ( 0.112 0.000 0.090) 0.143 10.629 ( 0.124 0.000 0.115) 0.169 10.758 ( 0.254 0.000 0.347) 0.430 10.786 ( 0.888 0.000 -0.469) 1.004 ======================= Grid point 3 (4/45) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 0.544 0.000 -0.151) 0.565 0.701 ( 1.837 0.000 -2.017) 2.728 0.856 ( 4.397 0.000 1.668) 4.703 0.861 ( -1.262 0.000 0.195) 1.277 0.997 ( 0.360 0.000 0.846) 0.919 1.024 ( 4.289 0.000 1.520) 4.550 1.100 ( -4.955 0.000 -1.696) 5.237 1.264 ( 1.337 0.000 5.827) 5.979 1.277 ( -1.604 0.000 -0.561) 1.699 1.280 ( -0.265 0.000 -5.844) 5.850 1.317 ( 3.578 0.000 0.301) 3.591 1.391 ( -0.716 0.000 -0.775) 1.055 1.418 ( 1.019 0.000 1.531) 1.839 1.429 ( 1.155 0.000 0.319) 1.198 1.472 ( 1.173 0.000 2.288) 2.572 1.481 ( -1.333 0.000 0.204) 1.349 1.502 ( 0.104 0.000 -1.671) 1.674 1.528 ( 2.161 0.000 -1.420) 2.585 1.536 ( 1.677 0.000 -1.923) 2.552 1.574 ( 4.846 0.000 -0.554) 4.878 1.622 ( -2.280 0.000 0.985) 2.484 1.633 ( -0.685 0.000 -0.338) 0.764 1.639 ( -2.329 0.000 -0.095) 2.331 1.653 ( 1.763 0.000 -1.491) 2.309 1.684 ( 0.624 0.000 0.822) 1.033 1.688 ( -3.677 0.000 1.190) 3.865 1.704 ( 0.998 0.000 1.134) 1.510 1.722 ( 2.028 0.000 0.023) 2.028 1.761 ( 1.364 0.000 0.301) 1.397 1.791 ( -2.414 0.000 -1.452) 2.817 1.815 ( 3.440 0.000 1.550) 3.773 1.816 ( 3.219 0.000 0.055) 3.220 1.876 ( 0.940 0.000 -0.167) 0.955 1.878 ( -1.844 0.000 -0.499) 1.910 1.901 ( -1.856 0.000 -1.021) 2.118 1.922 ( -0.158 0.000 -1.066) 1.078 1.939 ( -0.364 0.000 -2.568) 2.594 1.958 ( -0.715 0.000 0.525) 0.887 1.970 ( -2.834 0.000 2.204) 3.590 2.019 ( -1.601 0.000 2.112) 2.650 2.035 ( -1.516 0.000 1.447) 2.096 2.051 ( -1.659 0.000 -1.360) 2.145 2.056 ( 3.917 0.000 0.702) 3.979 2.148 ( 0.751 0.000 -0.893) 1.167 2.199 ( 0.713 0.000 -1.465) 1.629 2.222 ( -3.688 0.000 -1.935) 4.165 2.277 ( -1.118 0.000 1.553) 1.914 2.303 ( 0.400 0.000 1.703) 1.749 2.358 ( 0.151 0.000 1.691) 1.698 2.452 ( -0.376 0.000 -0.345) 0.510 2.474 ( 0.141 0.000 -0.191) 0.238 2.502 ( 3.085 0.000 -1.205) 3.312 2.555 ( 0.175 0.000 -1.213) 1.225 2.559 ( 4.261 0.000 -0.267) 4.270 2.576 ( -0.641 0.000 1.154) 1.320 2.666 ( 1.334 0.000 0.358) 1.382 2.689 ( -5.799 0.000 1.621) 6.022 2.718 ( 1.496 0.000 -0.265) 1.520 2.786 ( 0.015 0.000 -3.902) 3.902 2.838 ( -2.712 0.000 3.269) 4.247 2.902 ( 0.296 0.000 0.378) 0.480 2.905 ( 2.823 0.000 -1.363) 3.134 2.926 ( -0.844 0.000 2.078) 2.243 3.094 ( 3.759 0.000 -5.578) 6.727 3.121 ( 0.558 0.000 2.836) 2.891 3.172 ( 1.021 0.000 1.511) 1.823 3.193 ( -0.014 0.000 -0.348) 0.349 3.233 ( -1.640 0.000 -0.043) 1.641 3.378 ( 1.878 0.000 -0.618) 1.978 3.460 ( 0.891 0.000 -1.853) 2.056 3.513 ( -0.226 0.000 -0.445) 0.499 3.565 ( -5.141 0.000 2.112) 5.558 3.622 ( -1.909 0.000 -0.193) 1.918 3.667 ( -0.772 0.000 2.067) 2.207 3.715 ( -0.523 0.000 -0.377) 0.645 3.862 ( 0.005 0.000 -0.899) 0.899 3.897 ( 1.612 0.000 -0.900) 1.846 3.979 ( 1.664 0.000 -2.844) 3.295 4.022 ( 0.086 0.000 0.274) 0.287 4.036 ( -0.694 0.000 -0.310) 0.760 4.086 ( -2.951 0.000 4.982) 5.791 4.307 ( 3.563 0.000 -0.481) 3.595 4.504 ( -3.721 0.000 -0.931) 3.835 4.557 ( 0.804 0.000 0.353) 0.878 4.568 ( 0.128 0.000 0.468) 0.486 4.585 ( 0.178 0.000 -1.408) 1.419 4.715 ( -0.256 0.000 0.653) 0.701 4.789 ( 0.640 0.000 -1.604) 1.727 4.829 ( 0.199 0.000 0.512) 0.549 4.844 ( -1.473 0.000 2.352) 2.775 4.931 ( 0.174 0.000 -0.968) 0.984 5.067 ( 1.289 0.000 0.309) 1.326 5.122 ( 1.278 0.000 -0.090) 1.281 5.127 ( 3.360 0.000 -1.322) 3.611 5.304 ( -2.248 0.000 1.630) 2.777 5.359 ( 0.723 0.000 -0.784) 1.067 6.248 ( -0.124 0.000 -0.137) 0.185 6.313 ( 0.420 0.000 0.150) 0.446 6.322 ( 0.064 0.000 0.139) 0.153 6.326 ( 0.070 0.000 -0.188) 0.201 6.731 ( 0.164 0.000 0.170) 0.236 6.747 ( 0.542 0.000 0.055) 0.545 6.761 ( 0.418 0.000 -0.314) 0.523 6.796 ( 0.502 0.000 0.110) 0.514 7.223 ( 0.078 0.000 -0.422) 0.429 7.227 ( 2.274 0.000 0.061) 2.275 7.263 ( 0.232 0.000 0.357) 0.426 7.295 ( -2.346 0.000 -0.081) 2.348 7.394 ( 0.422 0.000 -0.311) 0.524 7.436 ( 0.357 0.000 0.218) 0.418 7.467 ( -0.593 0.000 0.532) 0.796 7.495 ( -1.871 0.000 -0.246) 1.887 7.814 ( -0.571 0.000 0.154) 0.592 7.928 ( -0.411 0.000 0.361) 0.547 8.047 ( -0.288 0.000 -0.579) 0.646 8.131 ( -0.104 0.000 0.132) 0.168 8.196 ( 0.641 0.000 -0.108) 0.650 8.247 ( 0.859 0.000 0.297) 0.908 8.249 ( 1.557 0.000 -0.326) 1.591 8.316 ( -0.839 0.000 0.510) 0.982 8.373 ( 0.516 0.000 -0.573) 0.771 8.416 ( -0.091 0.000 0.124) 0.154 8.518 ( 0.180 0.000 0.978) 0.994 8.523 ( 0.514 0.000 -1.762) 1.836 8.556 ( -2.731 0.000 0.879) 2.869 8.606 ( 0.865 0.000 -0.095) 0.871 8.646 ( -2.033 0.000 -0.005) 2.033 8.676 ( -0.159 0.000 0.351) 0.385 8.684 ( -0.396 0.000 -0.040) 0.398 8.741 ( 1.471 0.000 -0.890) 1.720 8.769 ( 2.189 0.000 0.362) 2.219 8.799 ( -0.257 0.000 0.066) 0.265 8.865 ( -0.849 0.000 0.168) 0.865 8.870 ( 1.790 0.000 -2.247) 2.873 8.917 ( -1.838 0.000 2.087) 2.781 8.947 ( -0.283 0.000 -0.277) 0.396 9.010 ( 2.530 0.000 1.135) 2.773 9.041 ( 0.459 0.000 0.273) 0.534 9.114 ( -4.221 0.000 -1.449) 4.463 9.128 ( -0.752 0.000 0.168) 0.771 9.233 ( -0.477 0.000 0.104) 0.488 9.269 ( -0.136 0.000 0.462) 0.482 9.300 ( 0.179 0.000 -0.800) 0.819 9.340 ( 0.098 0.000 0.330) 0.344 9.488 ( 1.180 0.000 0.821) 1.437 9.544 ( -0.942 0.000 -0.792) 1.231 9.630 ( 0.278 0.000 0.143) 0.313 9.740 ( -0.316 0.000 0.995) 1.044 9.800 ( 0.048 0.000 -0.833) 0.834 9.847 ( 0.685 0.000 -0.446) 0.817 9.873 ( -0.020 0.000 0.016) 0.026 9.881 ( -0.392 0.000 0.091) 0.403 10.005 ( 0.470 0.000 0.040) 0.472 10.041 ( 0.515 0.000 0.025) 0.516 10.080 ( 0.379 0.000 -0.076) 0.387 10.127 ( 0.411 0.000 0.051) 0.414 10.129 ( 1.473 0.000 -0.840) 1.696 10.160 ( -1.472 0.000 1.753) 2.289 10.187 ( 0.515 0.000 0.213) 0.557 10.213 ( 0.733 0.000 -1.094) 1.317 10.361 ( -0.313 0.000 -0.381) 0.493 10.374 ( -1.260 0.000 0.209) 1.278 10.442 ( -0.684 0.000 0.357) 0.772 10.512 ( -0.408 0.000 -0.133) 0.429 10.615 ( 0.090 0.000 0.032) 0.096 10.631 ( 0.079 0.000 0.019) 0.082 10.762 ( 0.131 0.000 0.162) 0.208 10.799 ( 0.339 0.000 -0.194) 0.391 ======================= Grid point 7 (5/45) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.349 ( 0.000 16.887 0.000) 16.887 0.385 ( 0.000 18.625 0.000) 18.625 0.629 ( 0.000 27.349 0.000) 27.349 0.852 ( 0.000 4.120 0.000) 4.120 0.998 ( 0.000 -4.321 0.000) 4.321 1.042 ( 0.000 -0.442 0.000) 0.442 1.052 ( 0.000 0.100 0.000) 0.100 1.137 ( 0.000 -4.353 0.000) 4.353 1.194 ( 0.000 -1.955 0.000) 1.955 1.223 ( 0.000 2.464 0.000) 2.464 1.257 ( 0.000 -2.666 0.000) 2.666 1.271 ( 0.000 2.524 0.000) 2.524 1.342 ( 0.000 -1.263 0.000) 1.263 1.356 ( 0.000 -4.073 0.000) 4.073 1.384 ( 0.000 0.562 0.000) 0.562 1.401 ( 0.000 0.260 0.000) 0.260 1.468 ( 0.000 -4.966 0.000) 4.966 1.471 ( 0.000 -4.540 0.000) 4.540 1.521 ( 0.000 0.742 0.000) 0.742 1.543 ( 0.000 -1.785 0.000) 1.785 1.568 ( 0.000 -2.134 0.000) 2.134 1.588 ( 0.000 1.157 0.000) 1.157 1.600 ( 0.000 -0.284 0.000) 0.284 1.628 ( 0.000 -1.932 0.000) 1.932 1.662 ( 0.000 -0.008 0.000) 0.008 1.684 ( 0.000 -3.521 0.000) 3.521 1.697 ( 0.000 -4.158 0.000) 4.158 1.740 ( 0.000 -0.171 0.000) 0.171 1.741 ( 0.000 0.081 0.000) 0.081 1.802 ( 0.000 0.835 0.000) 0.835 1.839 ( 0.000 1.200 0.000) 1.200 1.855 ( 0.000 2.906 0.000) 2.906 1.858 ( 0.000 2.102 0.000) 2.102 1.881 ( 0.000 4.239 0.000) 4.239 1.914 ( 0.000 4.219 0.000) 4.219 1.932 ( 0.000 -1.039 0.000) 1.039 1.963 ( 0.000 -1.057 0.000) 1.057 2.001 ( 0.000 -2.416 0.000) 2.416 2.019 ( 0.000 -0.803 0.000) 0.803 2.088 ( 0.000 0.188 0.000) 0.188 2.091 ( 0.000 -1.226 0.000) 1.226 2.150 ( 0.000 -3.227 0.000) 3.227 2.159 ( 0.000 -0.373 0.000) 0.373 2.226 ( 0.000 5.833 0.000) 5.833 2.242 ( 0.000 -0.330 0.000) 0.330 2.267 ( 0.000 2.270 0.000) 2.270 2.289 ( 0.000 0.926 0.000) 0.926 2.333 ( 0.000 -0.147 0.000) 0.147 2.358 ( 0.000 -2.122 0.000) 2.122 2.387 ( 0.000 1.945 0.000) 1.945 2.413 ( 0.000 3.193 0.000) 3.193 2.480 ( 0.000 1.956 0.000) 1.956 2.480 ( 0.000 0.267 0.000) 0.267 2.555 ( 0.000 -3.642 0.000) 3.642 2.593 ( 0.000 3.076 0.000) 3.076 2.649 ( 0.000 -1.597 0.000) 1.597 2.685 ( 0.000 -1.609 0.000) 1.609 2.697 ( 0.000 -2.040 0.000) 2.040 2.736 ( 0.000 3.434 0.000) 3.434 2.833 ( 0.000 1.309 0.000) 1.309 2.866 ( 0.000 5.694 0.000) 5.694 2.917 ( 0.000 0.577 0.000) 0.577 2.985 ( 0.000 -4.016 0.000) 4.016 3.052 ( 0.000 0.232 0.000) 0.232 3.060 ( 0.000 2.394 0.000) 2.394 3.100 ( 0.000 -3.960 0.000) 3.960 3.194 ( 0.000 3.159 0.000) 3.159 3.272 ( 0.000 0.530 0.000) 0.530 3.295 ( 0.000 -1.934 0.000) 1.934 3.382 ( 0.000 -2.730 0.000) 2.730 3.523 ( 0.000 -2.139 0.000) 2.139 3.564 ( 0.000 0.616 0.000) 0.616 3.671 ( 0.000 -2.922 0.000) 2.922 3.708 ( 0.000 -1.008 0.000) 1.008 3.818 ( 0.000 -0.285 0.000) 0.285 3.887 ( 0.000 1.897 0.000) 1.897 3.906 ( 0.000 -2.195 0.000) 2.195 3.958 ( 0.000 -1.484 0.000) 1.484 4.008 ( 0.000 -0.083 0.000) 0.083 4.066 ( 0.000 -1.749 0.000) 1.749 4.239 ( 0.000 4.958 0.000) 4.958 4.349 ( 0.000 -1.721 0.000) 1.721 4.378 ( 0.000 1.355 0.000) 1.355 4.499 ( 0.000 2.630 0.000) 2.630 4.536 ( 0.000 -0.034 0.000) 0.034 4.680 ( 0.000 -0.465 0.000) 0.465 4.707 ( 0.000 -0.780 0.000) 0.780 4.730 ( 0.000 -1.823 0.000) 1.823 4.858 ( 0.000 -0.824 0.000) 0.824 4.873 ( 0.000 -0.401 0.000) 0.401 4.921 ( 0.000 1.716 0.000) 1.716 4.938 ( 0.000 2.150 0.000) 2.150 5.027 ( 0.000 0.033 0.000) 0.033 5.029 ( 0.000 -1.500 0.000) 1.500 5.298 ( 0.000 1.273 0.000) 1.273 5.373 ( 0.000 -0.418 0.000) 0.418 6.246 ( 0.000 -0.947 0.000) 0.947 6.273 ( 0.000 0.369 0.000) 0.369 6.288 ( 0.000 -1.945 0.000) 1.945 6.341 ( 0.000 -1.380 0.000) 1.380 6.709 ( 0.000 1.017 0.000) 1.017 6.726 ( 0.000 0.500 0.000) 0.500 6.726 ( 0.000 1.163 0.000) 1.163 6.741 ( 0.000 0.818 0.000) 0.818 7.151 ( 0.000 1.129 0.000) 1.129 7.228 ( 0.000 -0.589 0.000) 0.589 7.239 ( 0.000 1.295 0.000) 1.295 7.365 ( 0.000 -1.270 0.000) 1.270 7.421 ( 0.000 0.771 0.000) 0.771 7.429 ( 0.000 0.303 0.000) 0.303 7.485 ( 0.000 -0.639 0.000) 0.639 7.608 ( 0.000 -3.191 0.000) 3.191 7.897 ( 0.000 2.397 0.000) 2.397 7.917 ( 0.000 2.868 0.000) 2.868 7.995 ( 0.000 2.453 0.000) 2.453 8.030 ( 0.000 1.408 0.000) 1.408 8.167 ( 0.000 -4.221 0.000) 4.221 8.220 ( 0.000 -3.699 0.000) 3.699 8.332 ( 0.000 2.533 0.000) 2.533 8.339 ( 0.000 2.928 0.000) 2.928 8.367 ( 0.000 0.817 0.000) 0.817 8.430 ( 0.000 2.287 0.000) 2.287 8.451 ( 0.000 -0.025 0.000) 0.025 8.575 ( 0.000 -0.325 0.000) 0.325 8.606 ( 0.000 0.618 0.000) 0.618 8.673 ( 0.000 -1.066 0.000) 1.066 8.699 ( 0.000 0.761 0.000) 0.761 8.704 ( 0.000 1.300 0.000) 1.300 8.723 ( 0.000 -0.052 0.000) 0.052 8.727 ( 0.000 1.497 0.000) 1.497 8.752 ( 0.000 -0.092 0.000) 0.092 8.800 ( 0.000 -0.166 0.000) 0.166 8.867 ( 0.000 -0.261 0.000) 0.261 8.909 ( 0.000 1.622 0.000) 1.622 8.920 ( 0.000 -3.757 0.000) 3.757 8.927 ( 0.000 0.409 0.000) 0.409 8.977 ( 0.000 -1.457 0.000) 1.457 9.017 ( 0.000 0.080 0.000) 0.080 9.167 ( 0.000 -2.238 0.000) 2.238 9.179 ( 0.000 -4.114 0.000) 4.114 9.249 ( 0.000 -1.083 0.000) 1.083 9.253 ( 0.000 -3.313 0.000) 3.313 9.334 ( 0.000 -0.133 0.000) 0.133 9.349 ( 0.000 -1.152 0.000) 1.152 9.446 ( 0.000 0.952 0.000) 0.952 9.568 ( 0.000 -1.759 0.000) 1.759 9.652 ( 0.000 -0.213 0.000) 0.213 9.712 ( 0.000 -0.536 0.000) 0.536 9.769 ( 0.000 1.524 0.000) 1.524 9.820 ( 0.000 3.549 0.000) 3.549 9.884 ( 0.000 -2.452 0.000) 2.452 9.918 ( 0.000 1.041 0.000) 1.041 9.966 ( 0.000 1.236 0.000) 1.236 9.995 ( 0.000 0.048 0.000) 0.048 10.054 ( 0.000 -2.322 0.000) 2.322 10.081 ( 0.000 -1.445 0.000) 1.445 10.147 ( 0.000 0.700 0.000) 0.700 10.159 ( 0.000 1.147 0.000) 1.147 10.171 ( 0.000 0.638 0.000) 0.638 10.178 ( 0.000 1.583 0.000) 1.583 10.407 ( 0.000 1.155 0.000) 1.155 10.472 ( 0.000 0.057 0.000) 0.057 10.494 ( 0.000 0.242 0.000) 0.242 10.517 ( 0.000 -1.857 0.000) 1.857 10.624 ( 0.000 1.550 0.000) 1.550 10.648 ( 0.000 2.480 0.000) 2.480 10.745 ( 0.000 -1.281 0.000) 1.281 10.767 ( 0.000 -0.919 0.000) 0.919 ======================= Grid point 8 (6/45) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 9.561 11.472 6.353) 16.229 0.486 ( 10.922 12.035 -3.508) 16.626 0.798 ( 7.632 9.162 -4.221) 12.649 0.869 ( 3.679 4.553 2.881) 6.524 0.980 ( -2.451 -1.452 -1.565) 3.251 1.025 ( -1.304 2.411 0.484) 2.783 1.038 ( 0.470 -0.092 2.596) 2.640 1.135 ( 0.159 -6.716 -0.563) 6.741 1.179 ( 2.060 0.455 -0.498) 2.168 1.220 ( 0.348 -0.422 1.460) 1.559 1.280 ( -1.629 -1.820 -0.031) 2.443 1.303 ( 1.945 2.601 -1.014) 3.403 1.351 ( 1.015 -3.602 0.036) 3.742 1.356 ( 1.341 -2.014 1.883) 3.066 1.395 ( 1.600 -2.620 -0.613) 3.130 1.428 ( 1.886 -1.957 -0.400) 2.747 1.459 ( -2.412 -1.459 -0.592) 2.881 1.477 ( 0.727 -2.028 0.333) 2.180 1.495 ( -0.383 -3.792 0.635) 3.864 1.537 ( -0.943 -0.660 -1.555) 1.935 1.568 ( -0.444 0.066 1.779) 1.835 1.572 ( -1.627 -0.694 -0.493) 1.836 1.630 ( 2.726 -0.695 -2.610) 3.838 1.636 ( -0.076 -0.880 0.256) 0.919 1.650 ( 1.015 1.210 -1.579) 2.233 1.681 ( 0.748 -4.070 1.878) 4.545 1.702 ( -0.245 0.602 -1.422) 1.563 1.729 ( 0.626 -3.097 -0.147) 3.163 1.769 ( -0.288 0.924 0.399) 1.047 1.786 ( -1.537 2.193 -0.592) 2.743 1.817 ( -1.346 0.643 0.423) 1.551 1.852 ( -0.073 -0.126 -1.594) 1.601 1.866 ( -0.433 2.214 1.392) 2.651 1.897 ( 1.474 1.991 1.062) 2.695 1.912 ( 0.271 0.632 0.070) 0.691 1.931 ( 0.685 1.825 0.050) 1.950 1.976 ( -0.277 0.027 -1.863) 1.884 1.993 ( -0.513 -2.289 -1.913) 3.027 2.010 ( -1.768 -1.737 1.957) 3.158 2.046 ( -2.157 -1.812 2.172) 3.558 2.077 ( -1.289 1.783 1.122) 2.470 2.146 ( -0.672 -0.099 0.587) 0.897 2.176 ( 1.116 -0.953 -1.214) 1.905 2.208 ( -2.080 4.668 -0.926) 5.193 2.230 ( -0.043 1.549 -1.860) 2.421 2.283 ( -0.206 -0.807 0.785) 1.144 2.293 ( -1.205 1.403 1.662) 2.486 2.327 ( 1.327 1.901 -0.954) 2.507 2.355 ( 0.335 -2.734 1.246) 3.023 2.382 ( 0.207 1.246 2.331) 2.651 2.430 ( 1.394 1.188 -0.016) 1.831 2.473 ( -0.623 1.235 -0.202) 1.397 2.500 ( 1.780 2.748 -0.676) 3.343 2.574 ( 1.674 -2.968 -0.949) 3.537 2.598 ( 0.656 2.921 -0.943) 3.139 2.651 ( 0.600 -0.374 0.144) 0.722 2.667 ( -1.569 -0.134 -0.402) 1.625 2.714 ( 0.391 -0.536 -0.478) 0.818 2.756 ( 2.008 0.003 0.786) 2.156 2.844 ( 0.858 0.689 -0.982) 1.475 2.876 ( 0.952 5.483 -0.969) 5.648 2.943 ( 1.499 -0.190 -0.514) 1.596 2.970 ( -0.747 -1.332 3.290) 3.627 3.033 ( -2.302 -0.070 7.522) 7.867 3.070 ( 0.382 -1.575 -5.393) 5.632 3.097 ( 1.381 0.085 -1.107) 1.772 3.201 ( 0.565 2.514 -0.333) 2.598 3.275 ( 1.015 -0.038 1.462) 1.780 3.308 ( -0.305 -0.065 0.602) 0.678 3.402 ( 2.673 -3.515 -4.744) 6.481 3.518 ( -0.264 -1.859 1.679) 2.519 3.578 ( 0.872 -0.707 -1.172) 1.623 3.670 ( -0.395 -3.211 -0.929) 3.366 3.706 ( -0.447 -1.582 -0.850) 1.851 3.799 ( -1.208 -0.413 0.403) 1.339 3.876 ( -1.837 -0.545 -3.153) 3.689 3.914 ( -3.768 0.864 4.478) 5.916 3.921 ( 0.861 -1.109 0.708) 1.573 3.998 ( 0.451 0.071 1.229) 1.311 4.077 ( -0.196 -1.410 -1.353) 1.964 4.212 ( -3.293 1.129 0.790) 3.569 4.282 ( -2.048 2.684 0.538) 3.419 4.440 ( 2.615 -1.015 1.509) 3.185 4.536 ( 1.692 -0.221 -1.560) 2.312 4.552 ( 2.088 2.271 -2.471) 3.953 4.683 ( -1.245 -0.841 -0.849) 1.726 4.698 ( 0.821 -0.304 0.004) 0.875 4.716 ( -0.553 -1.562 1.780) 2.432 4.850 ( -0.869 0.877 1.858) 2.231 4.904 ( 0.627 1.078 -1.234) 1.754 4.921 ( 3.663 -1.176 -0.001) 3.847 4.980 ( 0.465 1.047 -1.263) 1.705 5.025 ( 1.470 0.139 0.350) 1.517 5.043 ( 1.392 0.798 0.694) 1.748 5.308 ( 1.055 0.659 -0.992) 1.591 5.366 ( -0.723 -0.525 0.924) 1.285 6.248 ( 0.122 -0.724 -0.363) 0.819 6.282 ( 0.693 0.053 0.470) 0.839 6.296 ( 0.653 -1.558 -0.373) 1.731 6.328 ( -0.602 -0.114 0.472) 0.774 6.710 ( 0.368 0.798 0.172) 0.895 6.721 ( 0.493 1.190 -0.345) 1.334 6.747 ( 0.670 0.898 -0.190) 1.137 6.758 ( 1.224 -0.610 0.338) 1.408 7.159 ( 1.002 1.131 -0.001) 1.510 7.226 ( -0.166 -0.007 -1.715) 1.723 7.244 ( 0.429 0.463 1.882) 1.985 7.356 ( -0.974 -1.478 -0.107) 1.773 7.411 ( -0.754 0.938 -0.327) 1.247 7.430 ( 0.035 0.359 0.338) 0.495 7.483 ( -0.339 -0.877 1.361) 1.654 7.584 ( -2.248 -2.619 -0.533) 3.492 7.882 ( -1.025 2.640 1.266) 3.102 7.962 ( 0.784 0.628 -2.001) 2.239 8.006 ( 2.278 0.449 1.213) 2.619 8.064 ( 2.742 0.883 -0.454) 2.916 8.158 ( -0.325 -3.105 0.515) 3.164 8.233 ( 0.810 -1.798 -0.514) 2.038 8.298 ( -2.387 2.250 1.320) 3.536 8.327 ( -1.378 0.843 0.696) 1.759 8.361 ( 0.649 3.069 -1.259) 3.380 8.429 ( 0.030 0.791 -0.358) 0.869 8.459 ( 0.594 1.408 -0.161) 1.537 8.567 ( -0.944 0.007 -0.533) 1.084 8.620 ( 1.573 0.476 -1.239) 2.058 8.664 ( -1.144 -1.426 -0.793) 1.993 8.684 ( -0.914 0.991 1.040) 1.703 8.700 ( -1.614 -0.032 0.128) 1.619 8.707 ( -0.336 1.158 -0.754) 1.422 8.732 ( 0.041 1.571 -0.580) 1.676 8.747 ( -0.499 1.693 0.332) 1.796 8.790 ( -0.408 -0.324 -0.705) 0.877 8.857 ( -1.121 -0.074 -0.211) 1.143 8.894 ( -0.614 -0.430 0.362) 0.833 8.916 ( -0.043 -1.367 -0.136) 1.374 8.953 ( 1.394 -0.201 -0.961) 1.706 8.975 ( -0.884 0.537 0.190) 1.052 8.990 ( -0.532 -1.355 2.820) 3.174 9.145 ( -1.720 -3.475 -0.626) 3.928 9.175 ( -0.524 -3.251 0.757) 3.378 9.239 ( -0.514 -1.358 -0.606) 1.574 9.261 ( -0.093 -3.024 -0.205) 3.033 9.325 ( -0.754 0.750 -0.265) 1.096 9.334 ( -0.089 0.145 0.281) 0.329 9.458 ( 0.732 0.856 2.497) 2.739 9.564 ( 0.046 -1.524 -0.707) 1.681 9.639 ( -0.889 0.895 0.272) 1.290 9.721 ( 0.236 -1.384 0.640) 1.543 9.789 ( 1.566 0.001 -1.539) 2.196 9.819 ( -0.063 2.880 -0.120) 2.883 9.866 ( -1.155 -1.628 0.282) 2.016 9.921 ( 0.129 1.040 -0.347) 1.104 9.976 ( 1.032 1.355 -0.003) 1.703 10.002 ( 0.888 0.270 0.213) 0.952 10.057 ( 0.307 -1.669 -0.212) 1.711 10.089 ( 0.570 -1.260 -0.306) 1.416 10.138 ( -0.650 1.260 -0.962) 1.713 10.167 ( 0.610 0.612 0.481) 0.989 10.175 ( 0.427 0.757 -1.057) 1.368 10.186 ( 0.657 0.946 1.700) 2.054 10.399 ( -0.614 1.278 -0.563) 1.526 10.456 ( -1.691 0.094 -0.278) 1.717 10.481 ( -1.203 -0.043 1.035) 1.588 10.514 ( -0.325 -1.771 -0.247) 1.818 10.633 ( 0.502 1.611 -0.092) 1.690 10.650 ( 0.200 2.180 0.038) 2.190 10.754 ( 0.622 -1.100 -0.180) 1.276 10.759 ( -0.189 -0.441 0.144) 0.501 ======================= Grid point 9 (7/45) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( 8.379 6.666 2.201) 10.931 0.705 ( 8.100 8.026 -4.399) 12.222 0.855 ( -0.663 -0.419 2.562) 2.679 0.883 ( 2.237 -0.060 1.727) 2.827 0.924 ( -2.120 0.880 -0.969) 2.491 1.031 ( 1.128 2.142 0.924) 2.591 1.115 ( 3.124 -4.885 0.843) 5.860 1.164 ( 1.280 -4.465 -0.779) 4.709 1.214 ( 1.706 -2.538 -1.517) 3.413 1.232 ( -0.330 -0.506 -0.777) 0.984 1.266 ( 2.405 -2.385 0.696) 3.458 1.320 ( -0.109 -3.288 3.161) 4.562 1.349 ( 0.654 -1.929 -0.389) 2.074 1.368 ( -1.019 -4.071 -0.571) 4.236 1.415 ( -1.499 -1.858 -1.205) 2.675 1.420 ( -0.884 -4.024 -0.932) 4.224 1.469 ( -0.144 -3.859 1.832) 4.274 1.489 ( 3.690 -1.230 -1.437) 4.146 1.499 ( 0.330 -0.833 2.115) 2.297 1.542 ( 0.038 -0.498 -1.547) 1.625 1.565 ( 3.577 0.187 1.892) 4.051 1.580 ( -0.832 -2.101 -0.922) 2.441 1.628 ( 0.293 0.653 -1.299) 1.483 1.655 ( -0.147 -0.585 -1.280) 1.415 1.678 ( 1.714 -0.630 0.962) 2.064 1.688 ( -2.161 0.019 -1.878) 2.864 1.711 ( 0.765 -3.313 -1.297) 3.639 1.724 ( -0.717 -2.282 -1.374) 2.758 1.763 ( 0.198 0.671 2.052) 2.168 1.772 ( 0.663 -0.152 0.711) 0.984 1.813 ( -2.721 0.346 1.585) 3.168 1.834 ( 3.061 2.262 -1.718) 4.176 1.863 ( 0.073 1.748 -1.595) 2.368 1.886 ( -0.949 0.286 2.131) 2.350 1.928 ( -1.588 1.615 -1.583) 2.763 1.944 ( -0.137 2.553 -0.300) 2.574 1.958 ( 0.391 1.417 1.140) 1.860 1.987 ( 0.940 -0.267 -0.650) 1.173 1.993 ( 0.197 -2.357 -2.752) 3.629 2.026 ( 0.058 0.456 3.795) 3.823 2.044 ( -2.050 0.108 1.142) 2.349 2.139 ( -2.069 1.348 -1.789) 3.049 2.149 ( -1.473 1.110 1.163) 2.181 2.179 ( -1.352 2.950 -0.273) 3.257 2.225 ( -0.784 4.047 -1.344) 4.335 2.262 ( -1.855 -1.496 0.372) 2.412 2.281 ( 0.766 -0.012 2.312) 2.435 2.328 ( -0.340 2.853 0.032) 2.873 2.385 ( 1.773 1.187 2.709) 3.448 2.422 ( 3.077 0.719 1.565) 3.526 2.446 ( 0.547 2.206 -3.229) 3.949 2.482 ( 1.100 -0.509 -0.265) 1.240 2.512 ( -0.491 0.547 0.941) 1.194 2.601 ( -0.114 1.195 1.602) 2.002 2.608 ( 0.897 2.671 -2.155) 3.547 2.646 ( 0.569 -0.543 -1.859) 2.019 2.677 ( 1.544 1.003 0.190) 1.851 2.719 ( 0.050 -0.254 -1.209) 1.236 2.800 ( 2.481 -0.514 0.643) 2.614 2.867 ( 1.336 -0.354 -1.756) 2.234 2.886 ( -0.230 2.954 0.086) 2.965 2.917 ( -1.772 0.478 2.026) 2.734 2.977 ( -2.260 1.793 5.078) 5.840 3.025 ( 3.950 1.452 -1.957) 4.641 3.083 ( 1.138 -1.813 -1.506) 2.617 3.136 ( 1.969 0.435 -0.112) 2.019 3.210 ( 0.283 1.611 -0.142) 1.642 3.280 ( -2.084 0.622 0.376) 2.207 3.309 ( 2.317 -1.076 0.873) 2.700 3.451 ( 1.364 -1.379 -3.282) 3.813 3.519 ( 0.463 -0.843 0.801) 1.252 3.582 ( -1.256 -3.987 -0.311) 4.192 3.636 ( -2.543 -1.554 -0.867) 3.104 3.699 ( 0.029 -2.139 -0.076) 2.140 3.773 ( -4.387 0.805 1.771) 4.799 3.813 ( -0.086 -2.948 -4.383) 5.283 3.883 ( 0.009 2.168 1.265) 2.510 3.949 ( 1.360 -0.361 1.266) 1.893 4.006 ( 0.346 -0.488 1.264) 1.398 4.055 ( -1.563 -0.296 -1.568) 2.234 4.143 ( -3.476 -0.972 4.151) 5.501 4.264 ( -0.375 1.064 -1.059) 1.548 4.472 ( 0.828 -1.954 1.844) 2.811 4.548 ( -1.705 -0.549 -2.911) 3.418 4.573 ( 1.511 0.445 -1.169) 1.962 4.666 ( -0.081 1.533 -0.216) 1.550 4.693 ( -0.572 -0.735 -0.167) 0.946 4.758 ( 3.321 0.457 -0.374) 3.373 4.833 ( -0.772 0.900 2.580) 2.840 4.908 ( -1.903 0.726 1.063) 2.298 4.958 ( 0.578 1.744 -1.712) 2.511 5.003 ( 3.413 -0.198 -0.040) 3.419 5.064 ( 2.392 0.439 -0.454) 2.474 5.095 ( 3.137 1.112 -0.132) 3.331 5.335 ( 1.143 0.020 -1.023) 1.534 5.345 ( -1.089 -0.345 1.441) 1.838 6.248 ( -0.089 -0.269 -0.368) 0.464 6.296 ( 0.727 -0.438 0.247) 0.884 6.308 ( 0.538 -0.901 -0.436) 1.137 6.325 ( 0.132 0.026 0.601) 0.616 6.720 ( 0.564 -0.003 0.198) 0.598 6.736 ( 0.966 0.593 -0.116) 1.139 6.757 ( 0.318 0.573 -0.443) 0.791 6.780 ( 1.113 -0.094 0.381) 1.180 7.189 ( 1.947 0.695 0.109) 2.070 7.224 ( 0.008 0.220 -1.376) 1.394 7.253 ( 0.419 -0.138 1.207) 1.286 7.328 ( -1.957 -1.370 -0.103) 2.391 7.401 ( -0.260 1.016 -0.477) 1.152 7.430 ( 0.025 0.121 0.423) 0.441 7.472 ( -0.724 -0.815 1.021) 1.493 7.532 ( -2.859 -1.632 -0.557) 3.339 7.860 ( -1.139 2.656 0.750) 2.986 7.955 ( -0.662 1.477 -0.137) 1.624 8.035 ( 0.315 -1.414 -0.210) 1.464 8.107 ( 1.236 -1.126 0.049) 1.673 8.176 ( 2.140 -0.072 -0.289) 2.160 8.242 ( 0.396 0.973 -0.008) 1.050 8.259 ( -1.061 1.873 0.889) 2.329 8.334 ( 0.876 0.456 0.041) 0.988 8.364 ( -0.130 0.986 -0.898) 1.340 8.432 ( 0.222 0.631 -0.287) 0.728 8.487 ( 2.336 1.071 0.782) 2.686 8.543 ( -1.280 0.751 -0.726) 1.652 8.623 ( -2.151 -0.383 -0.146) 2.189 8.642 ( -3.063 0.322 1.251) 3.324 8.658 ( 1.538 -0.349 -0.953) 1.843 8.692 ( -0.225 1.627 0.263) 1.664 8.697 ( -0.135 0.376 -1.336) 1.395 8.726 ( -0.726 2.178 0.559) 2.363 8.746 ( 0.947 1.582 -0.314) 1.870 8.794 ( 0.626 -1.190 -1.407) 1.946 8.831 ( -1.232 0.149 -0.115) 1.247 8.888 ( -0.290 -1.610 0.581) 1.736 8.916 ( -0.045 -0.934 -0.379) 1.009 8.950 ( -0.907 0.074 0.883) 1.268 8.975 ( 0.370 -1.153 1.029) 1.589 9.001 ( 1.194 -1.746 0.387) 2.150 9.111 ( -1.656 -3.738 0.157) 4.091 9.148 ( -2.717 -3.782 -0.467) 4.681 9.228 ( -0.445 -1.505 0.335) 1.605 9.252 ( -0.584 -1.627 -1.243) 2.130 9.325 ( 0.072 1.484 -1.081) 1.837 9.332 ( 0.238 0.004 1.349) 1.370 9.472 ( 0.763 0.611 1.778) 2.029 9.569 ( 0.328 -0.241 -1.187) 1.255 9.627 ( -0.237 0.740 0.203) 0.803 9.715 ( -0.808 -2.148 0.670) 2.391 9.813 ( 0.484 1.143 -1.294) 1.793 9.825 ( 1.063 0.496 0.155) 1.183 9.852 ( -0.227 -1.633 0.901) 1.879 9.915 ( -0.751 0.699 -0.707) 1.246 10.000 ( 1.272 1.459 -0.077) 1.937 10.024 ( 1.166 0.226 0.172) 1.200 10.066 ( 0.629 -0.548 -0.234) 0.866 10.103 ( 0.903 -0.750 -0.226) 1.195 10.130 ( -0.049 1.125 -0.248) 1.153 10.172 ( -0.186 -0.100 0.409) 0.460 10.187 ( 0.745 1.033 0.468) 1.357 10.202 ( 0.910 0.453 -0.292) 1.057 10.387 ( -0.553 1.394 -0.841) 1.720 10.416 ( -2.159 0.374 0.195) 2.200 10.453 ( -1.652 -0.568 0.987) 2.006 10.505 ( -0.577 -1.537 -0.253) 1.661 10.640 ( 0.296 2.240 -0.026) 2.259 10.653 ( 0.145 2.062 -0.008) 2.067 10.754 ( 0.057 -0.476 0.362) 0.601 10.774 ( 0.894 -1.216 -0.408) 1.564 ======================= Grid point 10 (8/45) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.705 ( 0.102 3.779 0.765) 3.857 0.784 ( 1.076 6.860 -3.236) 7.661 0.846 ( 1.071 1.525 2.044) 2.766 0.919 ( 2.025 2.321 0.356) 3.100 0.967 ( 2.661 -1.538 1.426) 3.388 1.070 ( 2.205 2.885 0.055) 3.631 1.105 ( -1.626 -5.742 -0.972) 6.046 1.131 ( -3.017 0.439 -0.400) 3.075 1.252 ( 1.856 -4.447 -0.504) 4.844 1.265 ( 0.204 -8.010 -0.223) 8.016 1.285 ( 0.370 -0.893 0.373) 1.036 1.311 ( -0.503 -4.972 0.943) 5.086 1.367 ( -0.059 -9.319 -0.787) 9.353 1.383 ( 1.109 -6.335 0.616) 6.461 1.397 ( 1.560 -0.547 0.553) 1.743 1.446 ( 3.526 -0.827 0.418) 3.646 1.463 ( -0.358 -4.127 -0.662) 4.195 1.507 ( 0.464 -0.156 0.016) 0.490 1.529 ( -0.078 -0.530 0.124) 0.550 1.539 ( -0.193 0.206 0.477) 0.554 1.561 ( 0.126 -2.615 -1.167) 2.867 1.586 ( -2.728 -4.784 -0.002) 5.507 1.625 ( -0.881 -0.124 0.445) 0.995 1.633 ( -1.203 -1.807 -1.353) 2.558 1.657 ( 0.707 -3.030 -0.144) 3.115 1.679 ( -1.244 -2.932 1.243) 3.419 1.730 ( 1.095 -1.594 0.485) 1.994 1.737 ( -0.682 -1.171 0.007) 1.355 1.748 ( 1.191 -1.133 -1.058) 1.955 1.774 ( 0.471 -0.442 -0.335) 0.728 1.795 ( -1.110 -0.605 0.721) 1.455 1.852 ( -1.629 1.762 -0.668) 2.491 1.876 ( 0.422 3.285 -1.033) 3.470 1.896 ( 2.751 1.688 -0.434) 3.256 1.927 ( 0.181 0.242 0.013) 0.303 1.938 ( 0.511 0.635 -0.450) 0.932 1.965 ( 0.550 2.361 0.203) 2.433 1.978 ( -1.864 0.448 0.349) 1.948 1.998 ( 0.075 1.037 1.364) 1.715 2.028 ( 0.048 -0.389 0.293) 0.490 2.034 ( -2.087 2.681 -1.066) 3.561 2.099 ( 2.282 5.148 2.829) 6.302 2.137 ( -0.886 2.177 -0.461) 2.395 2.170 ( 0.213 2.885 -0.753) 2.989 2.205 ( -0.690 1.422 -0.311) 1.611 2.233 ( -1.658 1.099 -1.539) 2.515 2.294 ( 0.407 1.627 1.100) 2.006 2.316 ( -0.808 2.587 0.886) 2.851 2.403 ( 0.320 3.040 1.699) 3.497 2.458 ( 1.103 0.404 -0.502) 1.277 2.481 ( -0.630 -0.249 -0.311) 0.746 2.499 ( 0.339 0.865 -1.872) 2.090 2.519 ( 4.498 -0.716 -0.504) 4.582 2.583 ( -1.122 1.524 1.494) 2.411 2.628 ( 1.256 3.334 0.228) 3.570 2.668 ( -0.678 1.083 -0.074) 1.280 2.686 ( -0.562 -0.818 -1.357) 1.681 2.716 ( 0.477 0.725 -0.265) 0.908 2.814 ( -0.809 0.949 1.610) 2.037 2.877 ( 0.479 -2.200 -0.092) 2.254 2.891 ( -0.532 3.758 0.152) 3.799 2.908 ( 0.645 1.079 -0.759) 1.468 2.951 ( 0.170 2.297 1.609) 2.809 3.096 ( 1.662 -0.298 -4.559) 4.862 3.117 ( 2.770 0.441 2.975) 4.089 3.162 ( 0.687 0.064 0.433) 0.814 3.207 ( -0.715 0.652 -0.344) 1.027 3.244 ( -1.262 1.062 0.534) 1.734 3.349 ( 1.379 -2.203 0.020) 2.599 3.460 ( 0.588 -1.499 -0.652) 1.737 3.511 ( -4.176 -2.960 0.553) 5.149 3.543 ( 2.089 1.858 -1.235) 3.056 3.615 ( -1.277 -1.171 -0.181) 1.742 3.685 ( -2.419 1.415 2.141) 3.527 3.702 ( -0.460 -0.646 -0.747) 1.090 3.818 ( -0.079 -3.095 -1.280) 3.350 3.912 ( 2.033 0.711 -2.045) 2.970 3.968 ( 0.683 -1.042 0.695) 1.427 4.016 ( 0.825 -0.579 0.383) 1.078 4.033 ( -0.720 -0.305 -0.702) 1.051 4.079 ( -2.972 -0.757 3.657) 4.772 4.262 ( 0.041 -4.315 -0.566) 4.352 4.477 ( -0.172 -0.880 0.379) 0.974 4.519 ( -0.609 0.519 -0.680) 1.050 4.593 ( 0.317 0.008 -0.147) 0.349 4.674 ( 0.195 -1.259 -1.599) 2.044 4.684 ( 0.119 4.592 0.430) 4.613 4.805 ( 0.719 -0.763 0.625) 1.221 4.825 ( 0.738 0.320 -0.931) 1.231 4.859 ( -2.199 1.901 2.416) 3.780 4.972 ( 0.459 3.582 -0.958) 3.736 5.050 ( 1.244 -1.050 0.360) 1.668 5.116 ( 2.284 -1.072 -1.202) 2.795 5.139 ( 1.248 0.920 -0.018) 1.550 5.308 ( -1.483 0.538 1.278) 2.030 5.364 ( 0.843 0.216 -0.578) 1.044 6.246 ( -0.088 -0.036 -0.137) 0.167 6.305 ( 0.211 -0.958 -0.068) 0.984 6.315 ( 0.238 -0.316 -0.016) 0.396 6.328 ( 0.126 0.040 0.214) 0.251 6.728 ( 0.232 -0.185 0.104) 0.314 6.752 ( 0.570 -0.236 0.299) 0.686 6.760 ( -0.045 0.529 -0.537) 0.755 6.797 ( 0.525 -0.006 0.148) 0.546 7.223 ( 0.455 0.089 -0.232) 0.519 7.231 ( 1.621 0.347 -0.134) 1.663 7.258 ( 0.136 -0.457 0.340) 0.586 7.287 ( -1.997 -0.743 -0.068) 2.132 7.402 ( 0.278 0.703 -0.260) 0.799 7.431 ( 0.012 -0.405 0.172) 0.440 7.460 ( -0.430 -0.601 0.359) 0.822 7.487 ( -1.478 -0.705 -0.147) 1.644 7.843 ( -0.542 2.715 0.163) 2.773 7.945 ( -0.319 1.722 0.131) 1.756 8.032 ( -0.235 -1.508 -0.179) 1.537 8.116 ( 0.072 -1.765 0.039) 1.767 8.211 ( 1.113 1.574 -0.062) 1.928 8.243 ( -0.228 0.609 -0.008) 0.650 8.276 ( 2.381 0.661 -0.232) 2.482 8.324 ( -1.785 1.877 0.737) 2.693 8.371 ( 0.525 -0.426 -0.512) 0.848 8.436 ( 0.118 1.496 -0.120) 1.505 8.514 ( -0.168 0.288 0.457) 0.565 8.534 ( 0.398 0.379 -0.833) 0.998 8.585 ( -1.957 2.369 0.956) 3.219 8.619 ( 1.925 1.029 -0.147) 2.188 8.667 ( -0.187 -0.406 -0.195) 0.488 8.669 ( -2.296 2.044 0.105) 3.076 8.700 ( -0.018 1.368 0.219) 1.386 8.726 ( 0.810 -0.280 -0.607) 1.050 8.768 ( 0.699 -0.008 0.209) 0.730 8.812 ( 0.671 -0.208 -0.268) 0.752 8.819 ( 0.471 -1.457 -1.474) 2.125 8.878 ( -0.675 -2.249 0.930) 2.526 8.908 ( -0.606 0.129 0.193) 0.649 8.931 ( -1.044 -1.740 0.417) 2.071 8.997 ( 2.375 -1.684 0.680) 2.990 9.021 ( 0.608 -1.423 0.029) 1.548 9.077 ( -3.888 -3.116 -0.993) 5.080 9.090 ( -0.572 -3.268 0.398) 3.342 9.227 ( 0.217 -2.022 0.034) 2.034 9.240 ( -0.561 -0.110 -0.269) 0.632 9.324 ( -0.028 1.379 -0.520) 1.474 9.339 ( 0.256 -0.052 0.491) 0.556 9.484 ( 0.399 -0.157 0.717) 0.835 9.572 ( -0.010 1.730 -0.624) 1.839 9.630 ( 0.379 0.288 -0.017) 0.477 9.697 ( -0.746 -2.775 0.383) 2.899 9.818 ( 0.143 1.571 -0.613) 1.693 9.836 ( 0.015 -1.844 0.365) 1.880 9.866 ( 1.381 -0.407 0.861) 1.678 9.895 ( -1.262 0.612 -0.895) 1.664 10.018 ( 0.465 1.308 -0.030) 1.388 10.041 ( 0.562 0.248 0.024) 0.615 10.075 ( 0.262 -0.263 -0.068) 0.377 10.120 ( 0.651 -1.163 -0.169) 1.343 10.134 ( 0.268 0.358 -0.054) 0.451 10.164 ( -0.421 0.771 0.578) 1.052 10.200 ( 0.519 1.095 0.400) 1.276 10.215 ( 0.369 0.106 -0.776) 0.866 10.375 ( -0.722 1.004 -0.167) 1.247 10.388 ( -0.467 1.446 -0.049) 1.521 10.426 ( -0.922 -1.110 0.497) 1.526 10.496 ( -0.289 -1.308 -0.114) 1.344 10.645 ( 0.131 2.473 -0.011) 2.476 10.656 ( 0.064 2.069 -0.014) 2.070 10.756 ( 0.084 -0.623 0.156) 0.648 10.786 ( 0.343 -1.224 -0.167) 1.282 ======================= Grid point 14 (9/45) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 0.000 14.005 0.000) 14.005 0.731 ( 0.000 15.219 0.000) 15.219 0.878 ( 0.000 -7.314 0.000) 7.314 0.939 ( 0.000 3.823 0.000) 3.823 0.942 ( 0.000 -1.089 0.000) 1.089 1.007 ( 0.000 -5.729 0.000) 5.729 1.042 ( 0.000 0.163 0.000) 0.163 1.083 ( 0.000 2.105 0.000) 2.105 1.178 ( 0.000 -1.532 0.000) 1.532 1.208 ( 0.000 -1.929 0.000) 1.929 1.231 ( 0.000 1.886 0.000) 1.886 1.269 ( 0.000 1.601 0.000) 1.601 1.325 ( 0.000 -3.812 0.000) 3.812 1.335 ( 0.000 -1.914 0.000) 1.914 1.356 ( 0.000 -0.638 0.000) 0.638 1.405 ( 0.000 2.240 0.000) 2.240 1.416 ( 0.000 0.180 0.000) 0.180 1.423 ( 0.000 -0.287 0.000) 0.287 1.503 ( 0.000 -4.778 0.000) 4.778 1.511 ( 0.000 -0.801 0.000) 0.801 1.559 ( 0.000 0.290 0.000) 0.290 1.573 ( 0.000 -1.110 0.000) 1.110 1.588 ( 0.000 -3.327 0.000) 3.327 1.594 ( 0.000 0.900 0.000) 0.900 1.613 ( 0.000 2.204 0.000) 2.204 1.630 ( 0.000 0.873 0.000) 0.873 1.672 ( 0.000 -1.281 0.000) 1.281 1.733 ( 0.000 -0.554 0.000) 0.554 1.739 ( 0.000 0.150 0.000) 0.150 1.788 ( 0.000 -6.323 0.000) 6.323 1.857 ( 0.000 1.261 0.000) 1.261 1.882 ( 0.000 -1.772 0.000) 1.772 1.937 ( 0.000 5.571 0.000) 5.571 1.938 ( 0.000 1.909 0.000) 1.909 1.962 ( 0.000 2.900 0.000) 2.900 1.963 ( 0.000 0.117 0.000) 0.117 2.001 ( 0.000 3.002 0.000) 3.002 2.013 ( 0.000 4.986 0.000) 4.986 2.041 ( 0.000 4.070 0.000) 4.070 2.063 ( 0.000 -1.005 0.000) 1.005 2.082 ( 0.000 -1.496 0.000) 1.496 2.121 ( 0.000 0.360 0.000) 0.360 2.150 ( 0.000 -0.628 0.000) 0.628 2.190 ( 0.000 -4.999 0.000) 4.999 2.256 ( 0.000 -0.128 0.000) 0.128 2.275 ( 0.000 -1.380 0.000) 1.380 2.323 ( 0.000 0.836 0.000) 0.836 2.332 ( 0.000 -0.742 0.000) 0.742 2.374 ( 0.000 2.723 0.000) 2.723 2.419 ( 0.000 -1.452 0.000) 1.452 2.446 ( 0.000 3.764 0.000) 3.764 2.496 ( 0.000 -0.454 0.000) 0.454 2.508 ( 0.000 1.280 0.000) 1.280 2.521 ( 0.000 -2.952 0.000) 2.952 2.583 ( 0.000 -2.215 0.000) 2.215 2.599 ( 0.000 -1.911 0.000) 1.911 2.667 ( 0.000 2.750 0.000) 2.750 2.699 ( 0.000 -0.366 0.000) 0.366 2.804 ( 0.000 2.968 0.000) 2.968 2.844 ( 0.000 0.551 0.000) 0.551 2.868 ( 0.000 -3.704 0.000) 3.704 2.897 ( 0.000 -4.221 0.000) 4.221 2.996 ( 0.000 6.055 0.000) 6.055 3.049 ( 0.000 -0.672 0.000) 0.672 3.072 ( 0.000 2.369 0.000) 2.369 3.161 ( 0.000 5.661 0.000) 5.661 3.184 ( 0.000 -5.493 0.000) 5.493 3.242 ( 0.000 -2.934 0.000) 2.934 3.303 ( 0.000 3.089 0.000) 3.089 3.368 ( 0.000 0.261 0.000) 0.261 3.455 ( 0.000 -1.833 0.000) 1.833 3.526 ( 0.000 -4.914 0.000) 4.914 3.648 ( 0.000 1.376 0.000) 1.376 3.686 ( 0.000 -1.661 0.000) 1.661 3.827 ( 0.000 1.282 0.000) 1.282 3.863 ( 0.000 -2.063 0.000) 2.063 3.911 ( 0.000 0.599 0.000) 0.599 3.926 ( 0.000 -1.190 0.000) 1.190 4.020 ( 0.000 1.140 0.000) 1.140 4.043 ( 0.000 -1.031 0.000) 1.031 4.314 ( 0.000 2.133 0.000) 2.133 4.333 ( 0.000 -0.278 0.000) 0.278 4.423 ( 0.000 3.043 0.000) 3.043 4.484 ( 0.000 -2.563 0.000) 2.563 4.588 ( 0.000 3.504 0.000) 3.504 4.652 ( 0.000 -2.578 0.000) 2.578 4.693 ( 0.000 -0.363 0.000) 0.363 4.698 ( 0.000 -0.913 0.000) 0.913 4.852 ( 0.000 0.175 0.000) 0.175 4.862 ( 0.000 -0.680 0.000) 0.680 4.953 ( 0.000 1.406 0.000) 1.406 4.971 ( 0.000 0.245 0.000) 0.245 5.007 ( 0.000 0.098 0.000) 0.098 5.022 ( 0.000 -0.617 0.000) 0.617 5.329 ( 0.000 1.614 0.000) 1.614 5.357 ( 0.000 -1.140 0.000) 1.140 6.234 ( 0.000 -0.033 0.000) 0.033 6.250 ( 0.000 -1.577 0.000) 1.577 6.285 ( 0.000 0.843 0.000) 0.843 6.309 ( 0.000 -1.551 0.000) 1.551 6.726 ( 0.000 0.627 0.000) 0.627 6.733 ( 0.000 0.038 0.000) 0.038 6.751 ( 0.000 0.906 0.000) 0.906 6.755 ( 0.000 0.387 0.000) 0.387 7.180 ( 0.000 1.610 0.000) 1.610 7.210 ( 0.000 -1.246 0.000) 1.246 7.275 ( 0.000 2.290 0.000) 2.290 7.325 ( 0.000 -2.482 0.000) 2.482 7.437 ( 0.000 0.499 0.000) 0.499 7.442 ( 0.000 0.473 0.000) 0.473 7.482 ( 0.000 1.231 0.000) 1.231 7.536 ( 0.000 -3.537 0.000) 3.537 7.958 ( 0.000 3.239 0.000) 3.239 7.984 ( 0.000 2.319 0.000) 2.319 8.045 ( 0.000 2.118 0.000) 2.118 8.053 ( 0.000 0.916 0.000) 0.916 8.095 ( 0.000 -2.298 0.000) 2.298 8.132 ( 0.000 -4.705 0.000) 4.705 8.370 ( 0.000 0.706 0.000) 0.706 8.371 ( 0.000 0.934 0.000) 0.934 8.401 ( 0.000 2.107 0.000) 2.107 8.438 ( 0.000 -1.345 0.000) 1.345 8.496 ( 0.000 3.755 0.000) 3.755 8.560 ( 0.000 -2.014 0.000) 2.014 8.628 ( 0.000 1.544 0.000) 1.544 8.665 ( 0.000 1.701 0.000) 1.701 8.670 ( 0.000 -2.495 0.000) 2.495 8.720 ( 0.000 -2.130 0.000) 2.130 8.739 ( 0.000 1.865 0.000) 1.865 8.755 ( 0.000 0.552 0.000) 0.552 8.774 ( 0.000 2.488 0.000) 2.488 8.804 ( 0.000 -0.186 0.000) 0.186 8.853 ( 0.000 -0.968 0.000) 0.968 8.854 ( 0.000 -1.959 0.000) 1.959 8.930 ( 0.000 -0.192 0.000) 0.192 8.938 ( 0.000 -1.517 0.000) 1.517 8.961 ( 0.000 3.709 0.000) 3.709 9.023 ( 0.000 -0.107 0.000) 0.107 9.087 ( 0.000 -3.601 0.000) 3.601 9.104 ( 0.000 -3.194 0.000) 3.194 9.203 ( 0.000 -1.384 0.000) 1.384 9.210 ( 0.000 -1.911 0.000) 1.911 9.338 ( 0.000 0.348 0.000) 0.348 9.340 ( 0.000 0.055 0.000) 0.055 9.470 ( 0.000 1.641 0.000) 1.641 9.515 ( 0.000 -2.806 0.000) 2.806 9.679 ( 0.000 2.090 0.000) 2.090 9.708 ( 0.000 -0.454 0.000) 0.454 9.789 ( 0.000 0.951 0.000) 0.951 9.827 ( 0.000 -2.764 0.000) 2.764 9.890 ( 0.000 2.776 0.000) 2.776 9.922 ( 0.000 -0.588 0.000) 0.588 9.998 ( 0.000 1.000 0.000) 1.000 10.008 ( 0.000 1.744 0.000) 1.744 10.017 ( 0.000 -1.254 0.000) 1.254 10.047 ( 0.000 -1.855 0.000) 1.855 10.158 ( 0.000 0.500 0.000) 0.500 10.169 ( 0.000 -0.465 0.000) 0.465 10.187 ( 0.000 1.029 0.000) 1.029 10.197 ( 0.000 0.173 0.000) 0.173 10.434 ( 0.000 1.431 0.000) 1.431 10.462 ( 0.000 -1.221 0.000) 1.221 10.495 ( 0.000 -0.110 0.000) 0.110 10.497 ( 0.000 -0.035 0.000) 0.035 10.664 ( 0.000 2.306 0.000) 2.306 10.699 ( 0.000 2.438 0.000) 2.438 10.710 ( 0.000 -2.127 0.000) 2.127 10.741 ( 0.000 -1.710 0.000) 1.710 ======================= Grid point 15 (10/45) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.681 ( 3.080 10.778 3.965) 11.890 0.750 ( 2.326 12.154 0.291) 12.378 0.848 ( -1.483 -4.461 2.684) 5.414 0.927 ( -1.719 -4.755 -0.182) 5.059 0.951 ( 0.652 2.898 -3.316) 4.452 1.008 ( 0.549 -3.261 -3.805) 5.042 1.055 ( 0.925 0.876 1.029) 1.638 1.082 ( 0.248 1.353 0.525) 1.472 1.217 ( 0.820 -1.275 0.217) 1.531 1.227 ( 1.764 2.482 -0.343) 3.064 1.251 ( -2.162 0.590 -0.048) 2.241 1.266 ( 1.693 -1.093 0.867) 2.194 1.307 ( -1.992 -1.126 -1.980) 3.026 1.321 ( 0.185 -4.632 -1.854) 4.993 1.364 ( 0.576 -2.962 3.951) 4.972 1.371 ( -1.900 -1.972 0.969) 2.905 1.385 ( -2.546 -0.958 1.046) 2.914 1.429 ( 0.162 -0.368 0.055) 0.406 1.496 ( 1.255 3.093 -0.707) 3.412 1.537 ( 0.834 -2.685 -0.594) 2.873 1.557 ( -0.387 -0.552 -1.199) 1.376 1.564 ( 0.279 -1.417 -1.719) 2.245 1.608 ( 2.970 -1.030 -2.009) 3.731 1.612 ( 1.252 -1.860 0.048) 2.243 1.621 ( 0.784 2.221 1.020) 2.567 1.648 ( -0.653 0.338 1.250) 1.450 1.685 ( 1.765 -1.785 1.048) 2.721 1.723 ( -0.843 1.614 -1.462) 2.335 1.734 ( -0.917 -2.764 0.358) 2.934 1.804 ( 1.203 -4.328 -1.867) 4.865 1.847 ( -3.483 1.887 0.627) 4.011 1.868 ( -1.227 0.967 1.218) 1.981 1.888 ( -1.308 2.124 -1.044) 2.704 1.944 ( 0.451 2.481 -0.775) 2.638 1.955 ( -1.481 -1.785 -0.091) 2.322 1.975 ( 0.547 1.897 -0.630) 2.072 1.984 ( -0.858 3.060 2.041) 3.777 2.012 ( -0.184 2.800 -0.446) 2.841 2.029 ( -0.656 4.347 0.635) 4.442 2.035 ( -0.526 1.457 1.095) 1.897 2.052 ( -2.876 -2.386 0.929) 3.851 2.141 ( -0.290 -0.610 0.244) 0.718 2.147 ( 0.585 -2.071 -1.424) 2.580 2.199 ( 0.164 -5.321 3.399) 6.316 2.251 ( 0.090 0.992 -0.696) 1.215 2.278 ( -0.447 -1.105 -2.645) 2.901 2.318 ( -0.533 1.558 -0.144) 1.653 2.333 ( 1.629 1.406 -0.597) 2.233 2.383 ( 1.338 2.676 0.338) 3.011 2.421 ( 0.222 0.662 1.477) 1.634 2.458 ( 1.640 2.370 1.593) 3.293 2.521 ( 0.957 0.417 -0.329) 1.095 2.544 ( 2.518 1.373 1.182) 3.102 2.552 ( 2.901 0.251 -2.150) 3.620 2.602 ( 1.033 -1.048 -0.841) 1.695 2.617 ( 1.748 -1.710 -1.342) 2.790 2.670 ( -0.400 1.157 -1.038) 1.605 2.694 ( 0.731 -1.282 -0.466) 1.548 2.801 ( -0.027 2.555 1.532) 2.979 2.847 ( 0.336 -0.195 0.741) 0.837 2.880 ( 0.651 -3.102 1.142) 3.369 2.910 ( 1.874 -4.042 3.335) 5.565 3.005 ( 0.832 6.214 -0.669) 6.305 3.049 ( -0.288 0.803 1.515) 1.739 3.062 ( -0.508 1.302 -2.677) 3.019 3.172 ( 0.262 1.124 0.549) 1.278 3.185 ( 0.987 -0.892 -1.534) 2.031 3.260 ( 1.535 -1.611 1.103) 2.484 3.316 ( 1.142 1.944 1.529) 2.724 3.381 ( 1.645 0.206 -2.930) 3.367 3.447 ( -0.713 -2.466 0.251) 2.579 3.520 ( -0.693 -5.277 -0.777) 5.379 3.638 ( -0.872 0.988 -0.750) 1.517 3.674 ( -1.111 -1.834 -1.170) 2.443 3.801 ( -2.185 0.858 -1.282) 2.675 3.834 ( -3.221 -2.280 -2.494) 4.669 3.918 ( 1.051 0.740 1.810) 2.220 3.933 ( 0.625 -0.200 2.522) 2.606 4.015 ( -0.106 1.744 1.448) 2.270 4.051 ( 0.330 -1.513 0.125) 1.554 4.251 ( -5.167 2.842 1.012) 5.983 4.303 ( -2.949 -1.379 -0.418) 3.282 4.452 ( 1.990 2.274 0.746) 3.112 4.505 ( 1.665 -2.444 -0.512) 3.001 4.596 ( -0.190 2.106 -1.493) 2.589 4.641 ( -1.190 -2.467 0.072) 2.739 4.700 ( 1.170 0.379 -0.748) 1.440 4.706 ( 1.866 -0.220 -0.073) 1.881 4.871 ( 1.047 1.205 1.038) 1.904 4.897 ( 2.675 -1.272 0.289) 2.976 4.937 ( 0.169 2.029 0.048) 2.036 4.975 ( 0.271 -1.447 0.198) 1.485 5.040 ( 2.794 1.072 -0.719) 3.078 5.052 ( 2.440 -0.039 -0.126) 2.443 5.327 ( 0.023 1.185 -0.183) 1.199 5.350 ( -0.641 -1.032 0.481) 1.306 6.239 ( 0.492 0.112 -0.313) 0.594 6.257 ( 0.659 -1.552 -0.241) 1.703 6.293 ( 0.703 0.665 0.339) 1.025 6.312 ( 0.269 -1.137 0.336) 1.216 6.725 ( -0.053 0.680 0.047) 0.683 6.733 ( 0.119 -0.038 -0.105) 0.163 6.760 ( 0.692 0.514 0.030) 0.862 6.763 ( 0.729 0.382 0.007) 0.823 7.187 ( 0.673 1.455 0.045) 1.604 7.213 ( 0.313 -1.088 -0.347) 1.184 7.270 ( -0.446 1.963 0.208) 2.024 7.316 ( -0.925 -2.354 -0.114) 2.532 7.433 ( -0.404 0.741 0.247) 0.879 7.439 ( -0.270 0.344 0.228) 0.493 7.476 ( -0.560 0.895 0.039) 1.056 7.522 ( -1.306 -3.107 -0.367) 3.390 7.946 ( -0.983 3.383 1.030) 3.670 7.992 ( 0.247 0.239 -0.658) 0.742 8.025 ( -0.941 1.674 0.234) 1.934 8.069 ( 0.182 -1.229 -0.545) 1.357 8.122 ( 3.312 0.521 0.466) 3.385 8.169 ( 3.494 -3.497 -0.488) 4.967 8.334 ( -2.526 1.269 1.658) 3.278 8.343 ( -1.884 0.421 0.992) 2.171 8.414 ( 0.229 1.800 -1.260) 2.209 8.437 ( -0.462 -0.489 -1.548) 1.688 8.503 ( 0.771 3.026 -0.013) 3.122 8.559 ( -0.113 -1.727 0.170) 1.739 8.628 ( -0.192 0.753 0.089) 0.782 8.660 ( -0.779 0.815 -0.381) 1.190 8.662 ( -0.449 -1.018 0.159) 1.123 8.699 ( -1.030 -0.764 -0.701) 1.462 8.743 ( -0.462 1.697 0.001) 1.759 8.759 ( 0.955 -0.158 -0.999) 1.392 8.783 ( 0.252 2.429 0.302) 2.460 8.804 ( -0.046 0.803 1.268) 1.502 8.845 ( -0.680 -1.177 0.035) 1.359 8.851 ( -0.312 -2.062 0.520) 2.149 8.924 ( -0.750 0.902 -0.508) 1.278 8.941 ( 0.089 -1.467 0.312) 1.503 8.964 ( 0.225 1.213 -0.247) 1.258 8.993 ( -2.521 0.329 0.101) 2.544 9.067 ( -1.686 -2.703 -0.166) 3.190 9.098 ( -0.930 -4.072 0.107) 4.178 9.205 ( -0.209 -1.225 0.116) 1.248 9.210 ( 0.488 -1.599 -0.525) 1.753 9.339 ( 0.048 0.553 0.594) 0.813 9.342 ( 0.235 0.303 -0.330) 0.506 9.477 ( 0.663 1.404 0.753) 1.726 9.518 ( 0.449 -2.520 -0.544) 2.617 9.672 ( -0.637 2.007 -0.257) 2.121 9.702 ( -0.589 -0.902 0.617) 1.242 9.795 ( 0.609 0.637 -0.193) 0.902 9.823 ( -0.341 -2.124 0.823) 2.303 9.881 ( -0.705 2.603 -0.592) 2.761 9.917 ( -0.507 -1.072 -0.429) 1.261 10.010 ( 1.168 1.244 -0.074) 1.708 10.018 ( 0.950 1.304 0.305) 1.642 10.033 ( 1.386 -0.481 -0.144) 1.474 10.059 ( 1.024 -1.757 0.095) 2.036 10.157 ( -0.202 0.741 -0.965) 1.233 10.171 ( 0.031 -0.476 -1.383) 1.463 10.189 ( 0.424 0.760 1.185) 1.470 10.197 ( 0.188 0.083 1.068) 1.088 10.428 ( -0.569 1.435 -0.341) 1.581 10.451 ( -1.134 -0.724 -0.057) 1.347 10.482 ( -1.331 0.106 0.729) 1.521 10.488 ( -0.716 -0.646 -0.186) 0.982 10.673 ( 0.752 2.200 -0.176) 2.332 10.696 ( -0.064 1.804 0.000) 1.805 10.722 ( 0.925 -1.589 -0.201) 1.850 10.739 ( -0.104 -1.452 0.202) 1.470 ======================= Grid point 16 (11/45) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 4.552 6.021 3.835) 8.466 0.834 ( 5.711 2.214 1.739) 6.367 0.850 ( 2.294 1.165 1.218) 2.847 0.916 ( 1.213 -2.132 0.410) 2.487 0.952 ( -0.308 5.636 -2.618) 6.222 1.020 ( 0.093 -3.183 -1.512) 3.525 1.058 ( -0.847 -0.038 1.672) 1.875 1.095 ( 1.622 -0.515 -3.848) 4.207 1.171 ( -3.320 0.699 -3.036) 4.553 1.214 ( -1.854 -3.115 -0.042) 3.625 1.225 ( -1.807 -4.817 -0.875) 5.219 1.253 ( -0.833 0.075 1.606) 1.811 1.295 ( -1.898 -2.987 -0.861) 3.642 1.322 ( -0.968 -1.897 1.558) 2.639 1.340 ( -0.182 -0.659 1.404) 1.562 1.375 ( 0.042 -1.576 -1.093) 1.918 1.385 ( 2.912 -1.513 3.025) 4.463 1.433 ( 1.236 -5.141 2.270) 5.754 1.522 ( 0.400 1.632 -0.179) 1.689 1.525 ( -1.045 0.524 -1.879) 2.213 1.574 ( 1.371 -0.021 1.531) 2.055 1.579 ( -2.551 0.462 -1.850) 3.185 1.611 ( 1.596 -1.608 -1.608) 2.778 1.632 ( -1.168 0.126 -0.762) 1.400 1.645 ( -0.897 -2.087 -0.397) 2.306 1.668 ( 0.391 -1.565 -0.457) 1.677 1.678 ( 0.334 1.139 -1.307) 1.766 1.709 ( 1.001 -3.106 0.420) 3.290 1.728 ( -0.059 0.756 -0.515) 0.917 1.762 ( -3.191 3.250 1.495) 4.794 1.801 ( -1.387 -4.720 -0.359) 4.933 1.830 ( -3.044 -2.120 0.536) 3.748 1.896 ( 1.458 2.201 -0.908) 2.792 1.929 ( -0.198 -0.787 0.742) 1.099 1.948 ( -0.833 1.334 -0.865) 1.795 1.969 ( 0.304 0.588 -0.479) 0.817 1.987 ( -1.266 0.674 1.190) 1.863 2.005 ( -0.217 1.090 -0.445) 1.197 2.016 ( 0.818 1.747 0.706) 2.054 2.026 ( 1.085 0.514 1.497) 1.919 2.066 ( 1.812 3.903 -0.649) 4.352 2.128 ( -0.681 -1.613 -1.057) 2.046 2.175 ( 2.331 0.398 -0.200) 2.374 2.200 ( 0.131 -1.771 3.648) 4.057 2.231 ( -2.645 -0.620 0.697) 2.804 2.239 ( -1.561 -1.120 -0.707) 2.047 2.328 ( 1.505 4.545 -1.029) 4.897 2.398 ( 1.488 -0.925 -0.242) 1.769 2.413 ( 3.141 3.529 0.194) 4.728 2.441 ( 1.963 1.278 0.735) 2.455 2.493 ( 1.437 1.186 -0.683) 1.985 2.519 ( -0.953 1.980 -0.253) 2.212 2.544 ( -1.148 2.574 0.894) 2.957 2.601 ( 0.352 -2.976 -1.996) 3.601 2.635 ( 2.521 1.093 -0.181) 2.754 2.655 ( -0.295 2.955 -0.056) 2.970 2.666 ( 2.856 -1.007 -2.183) 3.733 2.721 ( 1.494 -1.168 -0.647) 2.003 2.809 ( 0.911 1.440 1.304) 2.146 2.849 ( -0.989 -1.890 0.122) 2.136 2.892 ( 1.519 1.636 3.995) 4.576 2.952 ( 1.125 -3.215 2.452) 4.197 3.024 ( 0.702 6.861 0.702) 6.933 3.052 ( 1.877 0.562 0.440) 2.008 3.067 ( 1.110 -0.215 -3.728) 3.896 3.166 ( -0.321 -4.893 0.417) 4.922 3.222 ( 1.973 5.590 -1.067) 6.023 3.283 ( 0.457 0.476 2.849) 2.924 3.320 ( -0.697 2.033 0.714) 2.265 3.427 ( -1.749 -5.942 2.069) 6.531 3.443 ( 4.156 -0.602 -4.749) 6.339 3.502 ( -0.519 -4.024 -1.874) 4.469 3.620 ( -0.814 0.742 -0.310) 1.144 3.654 ( -0.520 -2.051 -0.271) 2.133 3.771 ( -1.937 -0.767 -3.853) 4.380 3.774 ( -0.761 -0.725 -2.570) 2.777 3.926 ( -0.759 1.868 3.743) 4.251 3.950 ( 0.816 -0.285 3.082) 3.201 4.011 ( -0.393 1.497 0.905) 1.793 4.046 ( -0.842 -1.157 -0.013) 1.431 4.149 ( -4.882 2.403 1.040) 5.540 4.228 ( -4.576 -4.216 -0.561) 6.247 4.484 ( 1.388 2.641 0.862) 3.105 4.536 ( 1.396 -1.681 -2.261) 3.144 4.576 ( -1.140 1.073 1.451) 2.135 4.621 ( -0.735 -2.926 -0.785) 3.117 4.736 ( 2.162 1.907 -1.938) 3.474 4.759 ( 2.914 -0.458 -1.546) 3.330 4.866 ( -1.270 2.340 3.531) 4.422 4.909 ( -1.301 -1.396 3.080) 3.623 4.981 ( 3.437 1.711 -2.590) 4.631 5.011 ( 3.020 -0.486 -1.632) 3.467 5.080 ( 1.281 1.356 0.127) 1.870 5.103 ( 2.424 -0.500 0.081) 2.476 5.336 ( 0.269 0.089 0.079) 0.294 5.339 ( 0.181 -0.211 0.454) 0.533 6.248 ( 0.399 0.496 -0.399) 0.751 6.270 ( 0.627 -1.534 -0.382) 1.701 6.306 ( 0.644 0.419 0.398) 0.865 6.318 ( 0.359 -0.620 0.473) 0.858 6.726 ( 0.101 0.521 0.043) 0.533 6.737 ( 0.176 -0.458 -0.058) 0.494 6.771 ( 0.515 0.740 -0.166) 0.917 6.780 ( 0.908 -0.091 0.180) 0.930 7.206 ( 1.257 0.905 0.107) 1.552 7.222 ( 0.561 -0.575 -0.625) 1.018 7.261 ( -0.485 1.159 0.378) 1.312 7.294 ( -1.310 -1.860 -0.079) 2.276 7.423 ( -0.570 0.915 -0.016) 1.078 7.432 ( -0.462 -0.051 0.293) 0.550 7.463 ( -0.659 0.439 0.126) 0.802 7.493 ( -1.592 -2.041 -0.342) 2.612 7.926 ( -1.009 3.555 0.725) 3.766 7.988 ( -0.373 -1.520 -0.715) 1.720 8.009 ( -0.773 1.795 0.717) 2.082 8.068 ( -0.233 -2.751 -0.462) 2.799 8.197 ( 3.753 1.948 0.108) 4.229 8.236 ( 2.437 -1.475 0.141) 2.852 8.297 ( -1.036 1.835 0.541) 2.176 8.327 ( 0.634 -1.038 -0.327) 1.259 8.400 ( -1.198 2.184 0.257) 2.504 8.433 ( 0.233 -0.798 -0.317) 0.889 8.520 ( 0.793 2.018 0.111) 2.171 8.554 ( -0.524 -0.663 0.256) 0.884 8.615 ( -0.573 0.591 -0.143) 0.835 8.635 ( -1.077 -0.857 0.364) 1.423 8.667 ( 0.565 1.256 -0.944) 1.669 8.696 ( 0.596 -1.000 -1.538) 1.929 8.741 ( 0.223 2.425 0.313) 2.456 8.768 ( -0.045 -0.008 -1.330) 1.331 8.772 ( -1.581 2.181 0.032) 2.694 8.801 ( -0.390 1.916 1.165) 2.276 8.834 ( -0.289 -1.283 0.866) 1.575 8.845 ( -0.375 -1.348 0.851) 1.637 8.897 ( -1.782 -0.430 -0.972) 2.075 8.929 ( -1.424 -2.851 -0.449) 3.218 8.949 ( -1.207 0.980 0.284) 1.581 8.977 ( 0.617 -1.062 0.258) 1.255 9.038 ( -1.006 -2.113 0.707) 2.445 9.067 ( -2.197 -3.805 -0.041) 4.393 9.204 ( 0.150 -0.059 -0.192) 0.251 9.223 ( 0.734 -1.480 -0.843) 1.855 9.340 ( 0.021 0.593 0.902) 1.080 9.345 ( 0.023 0.340 -0.216) 0.404 9.491 ( 0.657 1.546 0.514) 1.757 9.535 ( 1.175 -2.545 -1.039) 2.989 9.659 ( -0.617 1.794 0.081) 1.899 9.687 ( -0.913 -0.986 0.547) 1.451 9.806 ( 0.224 -0.169 0.276) 0.393 9.821 ( 0.423 -1.361 1.117) 1.810 9.868 ( -0.564 2.208 -0.599) 2.357 9.904 ( -0.776 -1.373 -0.829) 1.782 10.036 ( 1.156 1.541 -0.158) 1.933 10.037 ( 1.095 0.975 0.259) 1.489 10.059 ( 1.187 -0.087 -0.251) 1.216 10.078 ( 0.814 -1.567 0.237) 1.782 10.151 ( -0.350 0.901 -0.646) 1.163 10.168 ( -0.187 -0.629 -0.998) 1.194 10.204 ( 0.959 0.568 0.740) 1.338 10.208 ( 0.815 0.198 0.595) 1.029 10.415 ( -0.883 0.967 -0.433) 1.379 10.422 ( -1.631 0.098 0.230) 1.650 10.452 ( -1.598 0.626 0.677) 1.845 10.475 ( -0.618 -1.403 -0.112) 1.537 10.688 ( 0.762 2.331 -0.239) 2.464 10.697 ( 0.142 1.965 -0.077) 1.971 10.736 ( 0.139 -1.340 0.202) 1.362 10.741 ( 0.593 -1.820 -0.088) 1.917 ======================= Grid point 17 (12/45) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.816 ( 0.450 6.347 0.963) 6.435 0.895 ( 2.717 -0.074 1.414) 3.064 0.923 ( 1.889 2.369 1.668) 3.458 0.940 ( -0.619 5.864 -2.288) 6.325 0.968 ( 1.892 0.899 1.200) 2.414 1.010 ( -1.003 -0.133 -1.644) 1.931 1.054 ( 0.759 -5.921 2.221) 6.369 1.123 ( -1.057 -6.587 -3.866) 7.711 1.145 ( 2.917 -2.778 -2.524) 4.754 1.185 ( -1.342 -3.298 0.661) 3.621 1.210 ( -0.152 -1.270 -0.406) 1.342 1.225 ( -0.359 -0.916 1.160) 1.521 1.252 ( -2.433 -2.097 0.529) 3.256 1.290 ( -1.677 -0.793 1.114) 2.164 1.375 ( 2.490 -0.845 -0.633) 2.704 1.394 ( 1.560 -1.949 0.566) 2.560 1.445 ( 2.398 -1.264 1.828) 3.270 1.464 ( 1.242 -3.750 0.687) 4.010 1.494 ( 0.131 -1.082 -1.235) 1.647 1.511 ( -2.240 -2.390 -1.721) 3.700 1.543 ( -2.022 2.537 0.189) 3.250 1.553 ( -1.581 -0.144 0.739) 1.751 1.588 ( -1.531 -1.992 -0.252) 2.525 1.606 ( -0.642 0.466 -0.999) 1.275 1.623 ( -3.555 -2.356 1.732) 4.603 1.647 ( -0.185 -2.633 -0.578) 2.702 1.680 ( 0.420 1.178 -1.343) 1.835 1.726 ( -0.440 -1.118 -0.856) 1.475 1.728 ( -0.284 -0.382 0.317) 0.572 1.766 ( 1.685 0.886 1.540) 2.449 1.773 ( -0.783 -1.680 -0.626) 1.956 1.824 ( 2.274 -3.133 0.015) 3.871 1.910 ( 0.157 0.563 0.880) 1.057 1.925 ( -0.695 0.322 0.347) 0.841 1.941 ( 0.028 0.616 -0.547) 0.825 1.958 ( -1.281 1.833 -0.492) 2.290 1.985 ( 0.497 0.709 -0.572) 1.037 1.992 ( -0.167 -1.229 -0.394) 1.302 2.030 ( 0.157 4.201 1.718) 4.541 2.058 ( 1.067 1.914 0.034) 2.191 2.077 ( -0.321 0.841 -0.023) 0.900 2.131 ( 1.020 -3.091 -1.301) 3.505 2.183 ( -0.969 2.774 1.257) 3.196 2.200 ( -0.927 0.088 0.262) 0.967 2.208 ( -0.093 -0.609 0.025) 0.616 2.242 ( 1.982 -0.785 0.609) 2.217 2.363 ( 1.672 4.589 -0.109) 4.885 2.399 ( -0.452 3.673 -0.611) 3.751 2.449 ( 0.233 -0.502 -0.223) 0.597 2.468 ( -0.444 0.581 0.618) 0.957 2.496 ( 0.436 2.526 -1.518) 2.979 2.510 ( -0.342 2.817 0.619) 2.904 2.547 ( 1.347 0.335 -0.735) 1.570 2.604 ( 0.235 -4.721 -0.602) 4.765 2.642 ( -0.407 2.720 0.282) 2.765 2.664 ( 0.363 0.251 0.914) 1.015 2.705 ( 0.759 2.063 -1.069) 2.445 2.759 ( 2.533 0.075 -0.609) 2.606 2.808 ( -2.158 -0.581 0.967) 2.435 2.838 ( 0.832 -1.125 0.483) 1.480 2.920 ( 0.855 2.098 1.783) 2.883 2.954 ( -0.229 0.209 -0.147) 0.343 3.036 ( 0.583 6.147 0.370) 6.186 3.086 ( 1.080 0.220 -1.093) 1.552 3.108 ( 1.878 -1.379 0.166) 2.336 3.165 ( 0.212 -4.941 -0.402) 4.962 3.239 ( -0.168 5.206 0.498) 5.232 3.268 ( -1.188 1.124 1.211) 2.035 3.319 ( 0.275 -0.161 -0.268) 0.416 3.378 ( -1.972 -4.565 0.786) 5.035 3.491 ( 0.796 0.164 -0.973) 1.268 3.532 ( 2.304 -3.419 -1.834) 4.512 3.614 ( 0.077 1.933 0.048) 1.935 3.659 ( 0.678 -2.267 0.263) 2.381 3.743 ( -0.551 2.778 -2.587) 3.836 3.788 ( 0.496 -0.768 -1.205) 1.513 3.903 ( 0.069 0.107 0.318) 0.342 3.944 ( -1.873 -2.114 4.296) 5.141 4.008 ( 0.220 0.306 0.219) 0.436 4.023 ( -1.262 -0.895 -0.167) 1.556 4.081 ( -1.920 1.948 0.248) 2.747 4.157 ( -2.064 -5.188 -0.684) 5.625 4.507 ( 0.819 3.057 0.644) 3.230 4.549 ( 0.008 2.108 -3.352) 3.960 4.568 ( 0.118 -2.022 3.547) 4.085 4.615 ( 0.012 -3.482 -1.106) 3.654 4.775 ( 1.977 2.373 -3.025) 4.323 4.798 ( 0.653 -0.078 0.057) 0.660 4.835 ( -1.437 1.852 2.042) 3.109 4.879 ( -1.320 -0.940 2.215) 2.745 5.037 ( 2.111 1.658 -2.264) 3.512 5.054 ( 0.806 1.252 0.303) 1.520 5.095 ( 0.464 0.153 -0.138) 0.508 5.134 ( 0.784 -1.680 0.380) 1.893 5.330 ( -0.149 1.551 0.482) 1.631 5.358 ( 0.767 -0.917 -0.160) 1.206 6.253 ( 0.093 0.821 -0.169) 0.844 6.278 ( 0.177 -1.511 -0.189) 1.533 6.315 ( 0.258 0.266 0.164) 0.405 6.324 ( 0.177 -0.448 0.221) 0.530 6.728 ( 0.115 0.268 0.022) 0.292 6.739 ( 0.016 -0.718 -0.014) 0.719 6.778 ( 0.212 0.963 -0.092) 0.990 6.793 ( 0.366 -0.436 0.089) 0.576 7.228 ( 0.636 0.377 -0.114) 0.748 7.236 ( 1.070 -0.177 -0.157) 1.096 7.253 ( -0.404 0.297 0.179) 0.532 7.269 ( -1.157 -1.017 -0.006) 1.540 7.416 ( -0.115 0.532 -0.068) 0.549 7.424 ( -0.374 -0.331 0.099) 0.509 7.454 ( -0.264 0.276 0.050) 0.385 7.469 ( -0.729 -1.003 -0.067) 1.242 7.912 ( -0.397 3.834 0.176) 3.859 7.984 ( -0.045 -2.701 -0.546) 2.756 7.996 ( -0.460 2.660 0.621) 2.770 8.063 ( -0.182 -3.296 -0.104) 3.302 8.244 ( 1.194 1.134 0.397) 1.694 8.256 ( 0.095 -0.025 0.013) 0.099 8.293 ( 0.294 2.185 -0.376) 2.237 8.344 ( 0.127 -2.101 -0.559) 2.178 8.390 ( 0.329 3.530 0.615) 3.599 8.443 ( 0.540 -1.260 0.045) 1.372 8.526 ( 0.004 0.694 0.315) 0.762 8.538 ( -0.857 -0.221 0.193) 0.906 8.624 ( 0.278 1.432 0.183) 1.470 8.638 ( 2.259 0.556 -0.250) 2.340 8.677 ( 0.465 1.693 -0.815) 1.936 8.715 ( -0.797 0.137 0.162) 0.824 8.723 ( -0.800 2.138 -0.185) 2.290 8.749 ( -0.012 1.506 -0.260) 1.528 8.764 ( -0.181 -1.246 -1.316) 1.821 8.787 ( -1.084 0.056 0.851) 1.380 8.824 ( -0.831 -1.015 0.706) 1.490 8.838 ( -0.049 1.399 0.454) 1.471 8.869 ( -0.822 -2.354 -0.395) 2.524 8.913 ( -0.290 -2.912 0.028) 2.927 8.938 ( 0.262 -1.046 -0.288) 1.116 8.979 ( -0.645 -2.918 0.075) 2.990 9.027 ( -0.602 -1.423 0.442) 1.607 9.031 ( -0.633 -1.611 0.141) 1.737 9.209 ( 0.246 0.685 -0.227) 0.762 9.233 ( 0.303 -1.065 -0.387) 1.173 9.339 ( -0.004 0.301 0.508) 0.590 9.343 ( -0.161 0.240 -0.111) 0.309 9.500 ( 0.292 1.958 0.107) 1.983 9.555 ( 0.729 -2.935 -0.608) 3.085 9.650 ( -0.253 1.400 0.220) 1.439 9.672 ( -0.493 -0.430 0.222) 0.691 9.806 ( -0.036 0.039 0.357) 0.361 9.834 ( 0.538 -1.699 0.537) 1.862 9.861 ( -0.096 1.445 -0.113) 1.452 9.890 ( -0.610 -1.027 -0.710) 1.390 10.046 ( 0.207 1.435 0.146) 1.457 10.059 ( 0.785 1.156 -0.175) 1.408 10.074 ( 0.331 -0.142 -0.140) 0.387 10.085 ( -0.008 -1.837 0.163) 1.845 10.148 ( 0.021 0.974 -0.162) 0.988 10.168 ( 0.094 -0.720 -0.318) 0.792 10.220 ( 0.537 0.601 0.371) 0.887 10.221 ( 0.405 0.415 -0.117) 0.592 10.393 ( -0.829 0.693 0.097) 1.085 10.404 ( -0.477 -0.446 -0.028) 0.653 10.430 ( -0.638 1.815 0.250) 1.940 10.466 ( -0.259 -1.662 -0.050) 1.683 10.699 ( 0.321 2.703 -0.138) 2.726 10.700 ( 0.086 2.116 -0.048) 2.118 10.736 ( -0.019 -1.368 0.162) 1.378 10.751 ( 0.287 -2.214 -0.068) 2.234 ======================= Grid point 35 (13/45) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.315 ( 0.652 0.000 16.316) 16.329 0.347 ( -1.530 0.000 17.805) 17.871 0.723 ( -0.227 0.000 34.027) 34.028 0.780 ( 0.119 0.000 -3.765) 3.767 0.927 ( 1.004 0.000 -9.493) 9.546 1.010 ( 0.261 0.000 -1.293) 1.319 1.082 ( 0.653 0.000 0.529) 0.840 1.108 ( -0.343 0.000 -3.549) 3.565 1.120 ( -0.931 0.000 -3.728) 3.843 1.251 ( 0.916 0.000 -1.198) 1.508 1.251 ( 2.100 0.000 2.284) 3.102 1.315 ( 1.621 0.000 0.542) 1.709 1.322 ( -0.299 0.000 -0.859) 0.909 1.403 ( -2.454 0.000 0.780) 2.575 1.431 ( -4.452 0.000 0.084) 4.453 1.474 ( 0.713 0.000 3.762) 3.829 1.483 ( -0.632 0.000 0.581) 0.859 1.505 ( 1.965 0.000 0.017) 1.965 1.523 ( 1.699 0.000 1.496) 2.264 1.560 ( 0.621 0.000 -1.864) 1.965 1.569 ( -0.276 0.000 -2.029) 2.048 1.596 ( -0.513 0.000 -0.570) 0.767 1.600 ( -0.650 0.000 3.737) 3.793 1.665 ( -2.069 0.000 -0.162) 2.075 1.679 ( -1.793 0.000 1.070) 2.088 1.717 ( -0.321 0.000 0.045) 0.325 1.725 ( 3.452 0.000 -0.912) 3.570 1.732 ( 0.847 0.000 -1.512) 1.733 1.756 ( -2.606 0.000 -4.410) 5.122 1.762 ( -0.002 0.000 -1.493) 1.493 1.793 ( 0.595 0.000 1.498) 1.611 1.828 ( -0.801 0.000 -0.304) 0.857 1.836 ( 1.609 0.000 0.332) 1.643 1.893 ( 1.622 0.000 2.693) 3.143 1.897 ( 0.253 0.000 1.643) 1.663 1.958 ( -2.878 0.000 1.120) 3.088 1.971 ( -0.791 0.000 -4.139) 4.214 2.023 ( 2.677 0.000 -1.568) 3.102 2.058 ( 0.507 0.000 3.996) 4.028 2.084 ( -0.641 0.000 2.372) 2.457 2.097 ( -2.370 0.000 -4.001) 4.650 2.135 ( 0.569 0.000 0.576) 0.810 2.182 ( 3.534 0.000 -0.283) 3.546 2.198 ( 0.527 0.000 1.628) 1.711 2.210 ( -2.961 0.000 -1.826) 3.479 2.248 ( 1.019 0.000 1.363) 1.702 2.264 ( 2.270 0.000 -1.193) 2.565 2.316 ( 0.828 0.000 -2.005) 2.169 2.344 ( 0.572 0.000 0.428) 0.715 2.359 ( -3.727 0.000 0.042) 3.727 2.406 ( 0.945 0.000 1.849) 2.076 2.466 ( -0.668 0.000 0.325) 0.743 2.517 ( 0.181 0.000 -0.987) 1.004 2.558 ( 0.861 0.000 -0.005) 0.861 2.565 ( 0.426 0.000 -2.936) 2.966 2.627 ( -1.236 0.000 -5.537) 5.673 2.664 ( -2.292 0.000 0.475) 2.341 2.701 ( 2.342 0.000 -0.663) 2.434 2.761 ( -0.369 0.000 0.273) 0.459 2.810 ( 0.285 0.000 -5.608) 5.615 2.820 ( -2.576 0.000 3.775) 4.570 2.847 ( -1.607 0.000 2.285) 2.794 2.983 ( 0.870 0.000 -2.033) 2.211 3.002 ( 4.131 0.000 -3.026) 5.120 3.081 ( -0.327 0.000 1.771) 1.801 3.173 ( -0.333 0.000 0.513) 0.612 3.206 ( 0.758 0.000 2.570) 2.679 3.249 ( -0.283 0.000 1.688) 1.712 3.306 ( -0.683 0.000 -1.426) 1.581 3.454 ( 1.115 0.000 -5.630) 5.739 3.505 ( -3.997 0.000 7.735) 8.706 3.584 ( -0.818 0.000 0.944) 1.249 3.670 ( 0.304 0.000 -4.250) 4.260 3.745 ( -0.537 0.000 1.539) 1.630 3.790 ( 1.910 0.000 -5.322) 5.655 3.814 ( 0.893 0.000 -0.655) 1.107 3.957 ( -0.252 0.000 1.127) 1.154 3.964 ( -0.129 0.000 -0.372) 0.394 4.016 ( 1.369 0.000 1.331) 1.909 4.098 ( -0.237 0.000 -2.119) 2.132 4.211 ( -4.599 0.000 4.605) 6.508 4.320 ( 6.757 0.000 -1.914) 7.023 4.449 ( 1.668 0.000 0.543) 1.754 4.468 ( -4.504 0.000 6.004) 7.506 4.511 ( -2.076 0.000 -1.936) 2.838 4.683 ( -0.424 0.000 -3.978) 4.000 4.709 ( 2.437 0.000 2.063) 3.193 4.737 ( -0.688 0.000 -0.295) 0.748 4.844 ( 1.173 0.000 -1.683) 2.051 4.866 ( 2.059 0.000 -1.431) 2.507 4.937 ( -3.024 0.000 3.683) 4.765 4.949 ( -2.890 0.000 2.480) 3.808 5.017 ( 0.834 0.000 -0.945) 1.261 5.041 ( 2.381 0.000 -0.880) 2.539 5.291 ( -1.494 0.000 0.946) 1.768 5.360 ( 1.052 0.000 -1.641) 1.949 6.257 ( -0.566 0.000 -0.083) 0.572 6.264 ( 0.645 0.000 -0.262) 0.696 6.277 ( 0.554 0.000 0.810) 0.982 6.306 ( -0.301 0.000 -0.526) 0.606 6.686 ( -0.110 0.000 0.100) 0.149 6.693 ( -0.071 0.000 -0.223) 0.234 6.722 ( 0.559 0.000 0.189) 0.590 6.730 ( -0.364 0.000 -0.143) 0.391 7.143 ( -0.076 0.000 1.066) 1.069 7.206 ( 0.058 0.000 -1.712) 1.713 7.329 ( 0.430 0.000 1.223) 1.297 7.370 ( -0.137 0.000 -0.603) 0.618 7.417 ( -0.567 0.000 -0.010) 0.567 7.423 ( 0.580 0.000 -0.230) 0.623 7.646 ( -1.138 0.000 0.644) 1.308 7.669 ( 9.603 0.000 -0.337) 9.609 7.870 ( 2.411 0.000 0.318) 2.432 7.893 ( -8.742 0.000 -0.745) 8.774 7.976 ( 1.358 0.000 0.848) 1.601 8.007 ( -1.069 0.000 -0.581) 1.217 8.200 ( -0.262 0.000 0.296) 0.395 8.226 ( 1.968 0.000 -1.255) 2.334 8.294 ( -0.789 0.000 1.450) 1.651 8.323 ( -0.882 0.000 2.027) 2.210 8.328 ( 0.262 0.000 1.110) 1.140 8.364 ( -3.153 0.000 -1.299) 3.410 8.404 ( 0.913 0.000 -0.574) 1.078 8.426 ( -1.776 0.000 -2.063) 2.722 8.599 ( -1.624 0.000 1.355) 2.114 8.642 ( 0.598 0.000 0.910) 1.089 8.683 ( -0.439 0.000 -0.577) 0.725 8.693 ( 1.213 0.000 -2.355) 2.649 8.702 ( 0.343 0.000 1.675) 1.710 8.743 ( 1.424 0.000 1.685) 2.206 8.769 ( -0.563 0.000 0.337) 0.656 8.794 ( -1.956 0.000 -1.732) 2.612 8.860 ( -0.009 0.000 -0.378) 0.378 8.889 ( -0.106 0.000 -0.609) 0.618 8.909 ( -0.364 0.000 -1.271) 1.322 8.916 ( 0.913 0.000 -0.625) 1.107 9.008 ( 0.521 0.000 1.515) 1.602 9.030 ( 0.303 0.000 -0.500) 0.585 9.194 ( 1.669 0.000 0.004) 1.669 9.218 ( -0.899 0.000 -0.782) 1.192 9.273 ( 1.076 0.000 3.355) 3.523 9.300 ( -0.719 0.000 -1.326) 1.508 9.310 ( 0.507 0.000 -1.340) 1.433 9.346 ( -0.449 0.000 0.229) 0.503 9.554 ( 2.292 0.000 -0.177) 2.299 9.610 ( 0.674 0.000 -2.152) 2.255 9.672 ( 4.556 0.000 5.021) 6.780 9.743 ( 0.802 0.000 0.229) 0.834 9.767 ( -5.902 0.000 -0.637) 5.937 9.786 ( -0.611 0.000 0.517) 0.801 9.873 ( 0.008 0.000 -0.625) 0.625 9.886 ( -0.329 0.000 -0.662) 0.739 9.965 ( 0.273 0.000 0.939) 0.978 10.001 ( 0.162 0.000 0.747) 0.764 10.069 ( -1.115 0.000 -2.373) 2.622 10.085 ( -0.861 0.000 -1.514) 1.741 10.101 ( 0.193 0.000 -0.166) 0.255 10.129 ( -0.476 0.000 -1.057) 1.160 10.172 ( -1.112 0.000 1.150) 1.600 10.176 ( 1.978 0.000 1.274) 2.353 10.407 ( -0.628 0.000 1.523) 1.648 10.472 ( -0.275 0.000 -1.300) 1.329 10.503 ( 0.077 0.000 0.685) 0.689 10.536 ( -0.068 0.000 -0.814) 0.817 10.611 ( 0.359 0.000 0.019) 0.359 10.613 ( 0.114 0.000 -0.039) 0.121 10.755 ( 0.247 0.000 0.211) 0.325 10.759 ( -0.308 0.000 0.025) 0.309 ======================= Grid point 36 (14/45) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( 9.259 0.000 10.173) 13.756 0.540 ( 12.566 0.000 12.666) 17.842 0.835 ( 4.746 0.000 0.025) 4.746 0.837 ( 9.161 0.000 14.411) 17.077 0.987 ( 5.075 0.000 -3.816) 6.349 0.989 ( -2.849 0.000 -0.297) 2.864 1.081 ( -0.428 0.000 -5.846) 5.862 1.119 ( 3.623 0.000 7.516) 8.344 1.119 ( 2.789 0.000 -5.774) 6.413 1.250 ( -2.474 0.000 1.397) 2.841 1.268 ( 1.184 0.000 0.661) 1.356 1.323 ( -2.763 0.000 -4.163) 4.996 1.372 ( 4.762 0.000 0.646) 4.806 1.374 ( 1.122 0.000 -0.354) 1.177 1.388 ( 0.449 0.000 0.330) 0.557 1.450 ( -1.346 0.000 1.217) 1.815 1.498 ( 1.242 0.000 6.055) 6.181 1.538 ( -0.920 0.000 1.814) 2.034 1.548 ( 0.729 0.000 1.167) 1.376 1.581 ( -0.521 0.000 3.257) 3.298 1.591 ( 2.034 0.000 -2.482) 3.209 1.602 ( 1.455 0.000 -0.482) 1.533 1.607 ( 4.404 0.000 -2.858) 5.250 1.636 ( -0.791 0.000 2.098) 2.243 1.640 ( -1.688 0.000 0.411) 1.738 1.676 ( -1.888 0.000 0.324) 1.915 1.701 ( -2.205 0.000 -2.049) 3.010 1.744 ( 0.507 0.000 -0.328) 0.604 1.754 ( -1.790 0.000 -1.710) 2.475 1.792 ( 1.352 0.000 0.841) 1.592 1.806 ( 2.200 0.000 -0.647) 2.293 1.852 ( 0.478 0.000 0.650) 0.807 1.865 ( -0.325 0.000 1.021) 1.071 1.876 ( 0.770 0.000 0.995) 1.258 1.912 ( 0.655 0.000 0.221) 0.691 1.924 ( -3.914 0.000 -5.040) 6.381 1.947 ( 0.573 0.000 0.733) 0.930 2.020 ( -1.808 0.000 -1.371) 2.269 2.042 ( -2.831 0.000 1.572) 3.238 2.053 ( -1.829 0.000 1.454) 2.337 2.115 ( 2.390 0.000 -2.567) 3.508 2.134 ( -0.829 0.000 1.875) 2.051 2.158 ( -2.013 0.000 -0.134) 2.017 2.190 ( -0.361 0.000 2.835) 2.858 2.191 ( -2.082 0.000 0.114) 2.085 2.284 ( -3.829 0.000 -0.187) 3.833 2.291 ( 2.261 0.000 -1.347) 2.632 2.313 ( 0.522 0.000 -0.891) 1.033 2.332 ( 3.786 0.000 -2.155) 4.356 2.377 ( 1.743 0.000 -1.725) 2.453 2.427 ( 1.193 0.000 2.935) 3.168 2.472 ( 1.342 0.000 -0.595) 1.468 2.515 ( -1.126 0.000 1.670) 2.014 2.546 ( -1.381 0.000 -1.875) 2.328 2.576 ( 0.196 0.000 -2.682) 2.689 2.608 ( 0.130 0.000 -4.225) 4.227 2.629 ( -0.494 0.000 -0.920) 1.044 2.741 ( 0.099 0.000 3.356) 3.357 2.760 ( -0.313 0.000 -1.142) 1.184 2.787 ( -0.351 0.000 -5.032) 5.044 2.827 ( 1.858 0.000 2.508) 3.121 2.833 ( -0.377 0.000 -2.566) 2.594 3.021 ( 2.798 0.000 -2.801) 3.960 3.060 ( -1.486 0.000 2.676) 3.061 3.086 ( 3.799 0.000 -1.661) 4.146 3.148 ( -2.511 0.000 1.336) 2.844 3.202 ( -0.429 0.000 4.964) 4.982 3.274 ( 2.244 0.000 0.080) 2.245 3.282 ( -1.447 0.000 -2.395) 2.798 3.459 ( -0.903 0.000 3.753) 3.860 3.486 ( 1.891 0.000 -4.702) 5.068 3.577 ( -0.137 0.000 0.595) 0.610 3.681 ( 0.420 0.000 -3.112) 3.140 3.727 ( -1.092 0.000 1.330) 1.721 3.808 ( -0.196 0.000 -3.566) 3.571 3.815 ( -0.488 0.000 -0.092) 0.496 3.951 ( -0.329 0.000 0.865) 0.925 3.955 ( -1.942 0.000 1.041) 2.204 4.028 ( -0.033 0.000 1.258) 1.259 4.080 ( -1.507 0.000 -1.672) 2.250 4.156 ( -0.118 0.000 0.856) 0.864 4.371 ( -3.236 0.000 5.792) 6.635 4.460 ( 5.267 0.000 -0.904) 5.344 4.481 ( -1.010 0.000 -2.610) 2.799 4.498 ( 2.692 0.000 1.166) 2.934 4.636 ( -3.293 0.000 -3.119) 4.536 4.745 ( 1.020 0.000 3.108) 3.271 4.758 ( 1.663 0.000 -1.357) 2.146 4.866 ( 0.309 0.000 -0.633) 0.704 4.884 ( -1.948 0.000 1.227) 2.302 4.930 ( 1.512 0.000 0.475) 1.585 4.930 ( 3.550 0.000 -1.021) 3.694 5.033 ( 0.945 0.000 0.001) 0.945 5.064 ( 0.197 0.000 1.593) 1.605 5.278 ( 0.226 0.000 -0.766) 0.798 5.376 ( 0.551 0.000 -0.540) 0.771 6.252 ( -0.053 0.000 0.120) 0.131 6.292 ( 0.953 0.000 0.844) 1.273 6.295 ( 0.834 0.000 -1.231) 1.486 6.311 ( 0.845 0.000 -0.932) 1.258 6.698 ( 1.260 0.000 0.096) 1.263 6.706 ( 1.149 0.000 -0.112) 1.154 6.729 ( 0.301 0.000 -0.378) 0.483 6.753 ( 1.717 0.000 -0.864) 1.922 7.155 ( 1.225 0.000 0.926) 1.536 7.206 ( -0.083 0.000 -1.189) 1.192 7.306 ( -1.599 0.000 2.803) 3.227 7.361 ( -0.843 0.000 -0.825) 1.180 7.397 ( -1.156 0.000 -0.159) 1.167 7.430 ( 0.199 0.000 0.005) 0.199 7.595 ( -5.653 0.000 4.786) 7.407 7.599 ( -3.386 0.000 -0.838) 3.488 7.882 ( -1.186 0.000 1.696) 2.069 7.920 ( 1.524 0.000 -4.857) 5.090 8.023 ( 2.191 0.000 0.088) 2.193 8.044 ( 4.385 0.000 -0.433) 4.406 8.190 ( -0.664 0.000 -0.324) 0.739 8.231 ( -0.749 0.000 -0.578) 0.946 8.267 ( -1.411 0.000 1.665) 2.183 8.316 ( 0.437 0.000 1.719) 1.773 8.339 ( 0.460 0.000 0.575) 0.736 8.400 ( -1.235 0.000 -3.251) 3.478 8.443 ( 3.129 0.000 1.083) 3.311 8.450 ( 7.884 0.000 -4.999) 9.335 8.569 ( -1.466 0.000 0.697) 1.623 8.662 ( 1.209 0.000 0.688) 1.391 8.664 ( -1.588 0.000 -0.639) 1.712 8.694 ( -1.667 0.000 0.324) 1.698 8.709 ( 0.580 0.000 -0.923) 1.090 8.744 ( -1.504 0.000 1.283) 1.977 8.757 ( -0.993 0.000 1.889) 2.134 8.765 ( 0.043 0.000 -1.042) 1.042 8.848 ( -1.055 0.000 -1.682) 1.985 8.877 ( -0.809 0.000 -0.418) 0.910 8.911 ( 0.448 0.000 -1.633) 1.694 8.940 ( 1.440 0.000 0.198) 1.453 9.018 ( 0.496 0.000 1.963) 2.024 9.031 ( -0.079 0.000 -1.080) 1.083 9.193 ( -1.304 0.000 1.755) 2.186 9.202 ( -0.926 0.000 -1.707) 1.942 9.274 ( -1.782 0.000 -1.778) 2.517 9.284 ( 0.156 0.000 3.086) 3.090 9.303 ( -1.070 0.000 -0.690) 1.274 9.338 ( -0.368 0.000 -0.538) 0.652 9.554 ( -1.491 0.000 2.002) 2.497 9.617 ( -4.406 0.000 6.062) 7.494 9.617 ( 0.012 0.000 -2.025) 2.025 9.760 ( 1.034 0.000 1.157) 1.552 9.769 ( 2.988 0.000 -0.618) 3.051 9.780 ( -0.244 0.000 -0.380) 0.451 9.871 ( -0.162 0.000 -0.484) 0.510 9.881 ( -0.077 0.000 -0.843) 0.846 9.978 ( 0.992 0.000 1.054) 1.447 10.011 ( 0.808 0.000 0.374) 0.891 10.048 ( -0.616 0.000 -1.578) 1.695 10.092 ( 1.138 0.000 -1.993) 2.295 10.109 ( 0.516 0.000 0.489) 0.711 10.126 ( 0.244 0.000 -1.070) 1.097 10.165 ( 0.087 0.000 -0.057) 0.104 10.211 ( 1.400 0.000 1.397) 1.978 10.387 ( -1.350 0.000 0.932) 1.640 10.449 ( -1.648 0.000 -0.221) 1.663 10.499 ( -0.471 0.000 0.779) 0.910 10.528 ( -0.731 0.000 -0.996) 1.235 10.615 ( 0.057 0.000 0.126) 0.138 10.623 ( 0.382 0.000 -0.556) 0.674 10.761 ( 0.472 0.000 -0.310) 0.565 10.762 ( 0.422 0.000 0.499) 0.654 ======================= Grid point 37 (15/45) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 5.653 0.000 2.590) 6.218 0.715 ( 5.798 0.000 11.480) 12.861 0.890 ( -0.706 0.000 0.280) 0.759 0.899 ( -0.346 0.000 2.065) 2.094 0.986 ( 4.406 0.000 3.578) 5.676 1.023 ( 0.158 0.000 1.126) 1.137 1.113 ( 2.938 0.000 -8.343) 8.846 1.190 ( 3.290 0.000 -7.683) 8.358 1.191 ( -3.412 0.000 2.035) 3.972 1.275 ( 1.485 0.000 1.143) 1.874 1.306 ( 8.657 0.000 5.075) 10.035 1.358 ( 3.627 0.000 -2.416) 4.358 1.386 ( 1.219 0.000 -1.820) 2.191 1.404 ( 1.121 0.000 -0.542) 1.245 1.425 ( 1.037 0.000 2.016) 2.267 1.467 ( 1.804 0.000 2.153) 2.809 1.486 ( -0.641 0.000 5.290) 5.329 1.518 ( -1.334 0.000 0.064) 1.336 1.549 ( -1.080 0.000 -1.165) 1.588 1.577 ( -1.674 0.000 4.194) 4.515 1.598 ( -0.395 0.000 1.304) 1.363 1.622 ( 0.970 0.000 -1.865) 2.102 1.632 ( 2.280 0.000 0.772) 2.407 1.659 ( 3.051 0.000 0.438) 3.083 1.670 ( 3.338 0.000 0.043) 3.338 1.694 ( 1.789 0.000 1.451) 2.303 1.722 ( -0.515 0.000 3.396) 3.435 1.745 ( 6.126 0.000 1.414) 6.287 1.763 ( 1.443 0.000 0.348) 1.484 1.777 ( -2.003 0.000 1.363) 2.423 1.801 ( -5.820 0.000 -1.979) 6.147 1.817 ( -0.514 0.000 -0.858) 1.000 1.862 ( 1.486 0.000 -1.320) 1.987 1.871 ( -1.953 0.000 -3.988) 4.441 1.914 ( 0.100 0.000 0.802) 0.808 1.923 ( -1.004 0.000 3.821) 3.951 1.929 ( 0.511 0.000 -1.548) 1.630 1.978 ( -3.618 0.000 -1.345) 3.860 2.018 ( 1.299 0.000 -0.394) 1.358 2.025 ( 0.364 0.000 2.174) 2.204 2.101 ( -4.071 0.000 -1.319) 4.279 2.104 ( -2.094 0.000 1.911) 2.835 2.123 ( -1.438 0.000 2.030) 2.487 2.148 ( -2.034 0.000 -1.807) 2.720 2.173 ( -2.411 0.000 1.130) 2.662 2.237 ( -0.235 0.000 0.859) 0.890 2.314 ( 0.163 0.000 -1.623) 1.631 2.328 ( -0.340 0.000 1.743) 1.776 2.373 ( -0.039 0.000 -1.476) 1.477 2.428 ( 4.081 0.000 -3.925) 5.662 2.460 ( 2.144 0.000 4.340) 4.840 2.494 ( 0.598 0.000 -2.158) 2.239 2.497 ( 0.491 0.000 0.029) 0.491 2.514 ( -1.938 0.000 -0.140) 1.943 2.578 ( 0.745 0.000 -2.909) 3.003 2.642 ( 2.196 0.000 -2.114) 3.048 2.656 ( 2.567 0.000 -2.989) 3.940 2.687 ( -3.251 0.000 0.531) 3.294 2.771 ( 1.441 0.000 -1.791) 2.299 2.815 ( 0.640 0.000 -5.671) 5.707 2.834 ( -0.960 0.000 1.771) 2.014 2.854 ( 3.807 0.000 -3.012) 4.855 3.010 ( -3.602 0.000 4.271) 5.587 3.079 ( -0.931 0.000 0.771) 1.209 3.086 ( 0.512 0.000 -0.385) 0.641 3.151 ( 2.395 0.000 -0.808) 2.528 3.207 ( 0.751 0.000 4.028) 4.097 3.260 ( -0.624 0.000 -1.562) 1.682 3.319 ( 2.198 0.000 0.984) 2.408 3.449 ( -0.503 0.000 -0.428) 0.661 3.500 ( -1.127 0.000 -3.224) 3.415 3.580 ( 0.708 0.000 -1.238) 1.426 3.669 ( -1.942 0.000 -0.674) 2.056 3.708 ( -0.821 0.000 -0.107) 0.827 3.764 ( -4.250 0.000 -1.797) 4.615 3.809 ( 0.175 0.000 -1.175) 1.188 3.919 ( -0.585 0.000 4.546) 4.583 3.949 ( 0.128 0.000 0.352) 0.375 4.025 ( -0.393 0.000 0.316) 0.505 4.051 ( -1.214 0.000 -0.586) 1.348 4.202 ( 4.365 0.000 -0.966) 4.470 4.309 ( -3.304 0.000 7.913) 8.575 4.464 ( -0.457 0.000 -4.447) 4.471 4.517 ( -1.732 0.000 -1.631) 2.379 4.550 ( 3.411 0.000 -1.190) 3.613 4.588 ( -0.920 0.000 -0.917) 1.299 4.754 ( 0.235 0.000 0.411) 0.474 4.766 ( -1.120 0.000 1.931) 2.232 4.868 ( 0.199 0.000 2.476) 2.484 4.872 ( 1.096 0.000 -2.108) 2.376 4.955 ( -0.327 0.000 2.900) 2.918 5.004 ( 3.988 0.000 -2.066) 4.491 5.057 ( 1.501 0.000 0.540) 1.595 5.077 ( 1.809 0.000 0.588) 1.902 5.298 ( 1.732 0.000 -2.041) 2.677 5.374 ( -0.982 0.000 0.670) 1.189 6.252 ( 0.018 0.000 0.465) 0.466 6.302 ( 0.164 0.000 -1.137) 1.149 6.310 ( 0.854 0.000 0.813) 1.179 6.325 ( 0.525 0.000 -0.442) 0.686 6.726 ( 1.387 0.000 -0.088) 1.390 6.727 ( 0.825 0.000 0.115) 0.833 6.740 ( 0.927 0.000 -0.196) 0.947 6.778 ( 0.998 0.000 -0.517) 1.124 7.188 ( 2.119 0.000 0.671) 2.223 7.208 ( 0.416 0.000 -0.493) 0.645 7.286 ( -0.698 0.000 1.849) 1.977 7.333 ( -2.056 0.000 -0.884) 2.238 7.385 ( 0.004 0.000 0.161) 0.161 7.433 ( 0.117 0.000 -0.147) 0.188 7.525 ( -2.651 0.000 2.473) 3.626 7.533 ( -3.172 0.000 -1.120) 3.364 7.851 ( -1.668 0.000 1.336) 2.137 7.920 ( -0.770 0.000 -2.988) 3.086 8.048 ( 0.737 0.000 0.896) 1.160 8.119 ( 2.131 0.000 -0.192) 2.140 8.182 ( 0.453 0.000 0.158) 0.480 8.220 ( 0.022 0.000 -0.438) 0.438 8.256 ( 0.307 0.000 1.849) 1.874 8.332 ( 0.855 0.000 1.242) 1.508 8.347 ( 0.463 0.000 -0.170) 0.494 8.385 ( -0.253 0.000 -3.493) 3.502 8.515 ( 3.916 0.000 2.663) 4.735 8.523 ( -1.356 0.000 -0.338) 1.398 8.587 ( 3.547 0.000 -2.684) 4.448 8.631 ( -0.476 0.000 -0.730) 0.871 8.634 ( -3.736 0.000 -0.704) 3.801 8.670 ( -0.468 0.000 -1.021) 1.123 8.717 ( -1.552 0.000 2.082) 2.597 8.731 ( -1.296 0.000 1.418) 1.921 8.732 ( 1.655 0.000 -0.008) 1.655 8.777 ( 0.922 0.000 -0.400) 1.005 8.829 ( -0.817 0.000 -2.052) 2.209 8.868 ( -0.057 0.000 -0.436) 0.439 8.925 ( 1.033 0.000 -0.984) 1.427 8.963 ( 0.652 0.000 0.990) 1.185 9.025 ( 0.219 0.000 2.245) 2.255 9.027 ( -0.195 0.000 -1.554) 1.566 9.162 ( -3.540 0.000 -1.955) 4.044 9.165 ( -1.465 0.000 1.918) 2.414 9.256 ( 0.234 0.000 -2.006) 2.020 9.269 ( -1.766 0.000 1.262) 2.170 9.285 ( -0.551 0.000 0.591) 0.808 9.330 ( -0.443 0.000 -1.489) 1.554 9.535 ( -0.087 0.000 4.757) 4.758 9.572 ( -1.362 0.000 1.845) 2.294 9.614 ( -0.152 0.000 -1.938) 1.944 9.764 ( -1.459 0.000 -0.854) 1.690 9.785 ( 1.416 0.000 1.077) 1.779 9.813 ( 1.818 0.000 -0.248) 1.835 9.869 ( 0.014 0.000 -0.316) 0.316 9.881 ( 0.018 0.000 -0.619) 0.619 9.999 ( 1.045 0.000 0.925) 1.396 10.027 ( 0.868 0.000 -0.477) 0.990 10.056 ( 1.245 0.000 0.060) 1.247 10.109 ( 0.707 0.000 -1.117) 1.322 10.118 ( 0.380 0.000 0.779) 0.867 10.145 ( 1.805 0.000 -1.923) 2.637 10.171 ( 0.493 0.000 -0.742) 0.891 10.221 ( -0.530 0.000 1.719) 1.799 10.364 ( -0.899 0.000 0.116) 0.906 10.412 ( -2.106 0.000 0.039) 2.106 10.482 ( -1.221 0.000 1.042) 1.605 10.511 ( -0.911 0.000 -1.187) 1.496 10.616 ( 0.098 0.000 0.222) 0.242 10.627 ( 0.109 0.000 -0.285) 0.306 10.769 ( 0.286 0.000 0.736) 0.790 10.775 ( 0.893 0.000 -0.660) 1.110 ======================= Grid point 38 (16/45) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 3.503 0.000 0.331) 3.519 0.727 ( -2.459 0.000 3.917) 4.625 0.874 ( -0.376 0.000 1.210) 1.267 0.931 ( 1.508 0.000 1.909) 2.433 1.058 ( 4.311 0.000 7.463) 8.619 1.058 ( 1.206 0.000 1.956) 2.298 1.115 ( -3.995 0.000 2.371) 4.646 1.159 ( 1.348 0.000 -5.247) 5.417 1.239 ( 1.663 0.000 -3.592) 3.958 1.326 ( 3.818 0.000 -0.623) 3.869 1.360 ( 0.075 0.000 2.686) 2.687 1.364 ( -0.723 0.000 -0.980) 1.218 1.408 ( -2.087 0.000 -1.462) 2.549 1.426 ( -1.703 0.000 -0.262) 1.723 1.463 ( -0.802 0.000 -1.665) 1.848 1.465 ( 4.207 0.000 -2.179) 4.738 1.482 ( -2.339 0.000 1.374) 2.713 1.495 ( 0.881 0.000 -1.380) 1.637 1.550 ( 2.642 0.000 2.948) 3.959 1.597 ( 0.932 0.000 2.202) 2.391 1.612 ( 2.876 0.000 -0.689) 2.957 1.641 ( 2.376 0.000 0.638) 2.460 1.650 ( -1.204 0.000 1.790) 2.158 1.695 ( -3.805 0.000 -0.530) 3.842 1.698 ( 0.442 0.000 2.160) 2.205 1.710 ( 0.583 0.000 -0.018) 0.583 1.721 ( -1.389 0.000 0.686) 1.549 1.731 ( 1.490 0.000 1.467) 2.091 1.767 ( -0.618 0.000 -1.263) 1.406 1.777 ( 0.923 0.000 2.428) 2.598 1.806 ( 0.146 0.000 -0.992) 1.002 1.830 ( -0.008 0.000 -0.786) 0.786 1.858 ( 1.197 0.000 -0.910) 1.504 1.884 ( 1.478 0.000 -2.607) 2.997 1.891 ( -2.645 0.000 0.487) 2.689 1.903 ( -0.938 0.000 -0.284) 0.980 1.920 ( 2.218 0.000 3.801) 4.401 1.968 ( 0.406 0.000 0.618) 0.739 1.991 ( -4.962 0.000 -0.704) 5.011 2.047 ( -0.230 0.000 0.878) 0.908 2.055 ( -1.759 0.000 1.720) 2.460 2.091 ( 0.106 0.000 1.578) 1.581 2.102 ( -0.772 0.000 3.954) 4.029 2.138 ( 1.666 0.000 -4.061) 4.389 2.148 ( 4.752 0.000 3.105) 5.676 2.247 ( 0.366 0.000 3.410) 3.430 2.276 ( -3.546 0.000 0.053) 3.546 2.313 ( -1.272 0.000 -1.781) 2.189 2.348 ( -1.858 0.000 -1.151) 2.185 2.462 ( -1.905 0.000 -2.841) 3.421 2.465 ( 0.329 0.000 0.905) 0.963 2.512 ( 3.646 0.000 2.868) 4.638 2.534 ( 2.269 0.000 -0.955) 2.462 2.560 ( 4.092 0.000 0.801) 4.170 2.583 ( -0.968 0.000 -0.932) 1.344 2.629 ( -0.574 0.000 -4.426) 4.463 2.689 ( 0.740 0.000 -2.834) 2.929 2.696 ( -0.005 0.000 -4.263) 4.263 2.724 ( -5.309 0.000 2.440) 5.843 2.844 ( 2.446 0.000 -6.468) 6.915 2.870 ( 4.160 0.000 -0.969) 4.272 2.915 ( 0.090 0.000 -1.629) 1.632 2.943 ( -2.381 0.000 5.000) 5.538 3.023 ( -0.064 0.000 -0.559) 0.563 3.145 ( 2.138 0.000 -1.833) 2.816 3.161 ( -1.407 0.000 -1.661) 2.177 3.221 ( 0.450 0.000 4.573) 4.595 3.263 ( 0.473 0.000 2.036) 2.090 3.349 ( 1.067 0.000 -1.831) 2.119 3.456 ( 2.120 0.000 0.806) 2.268 3.460 ( -1.639 0.000 -4.912) 5.178 3.586 ( -1.106 0.000 -2.387) 2.631 3.609 ( -3.987 0.000 2.154) 4.531 3.666 ( -2.738 0.000 -1.182) 2.983 3.722 ( 0.385 0.000 1.144) 1.207 3.823 ( 1.042 0.000 -4.000) 4.133 3.927 ( 0.876 0.000 4.929) 5.007 3.954 ( 0.416 0.000 0.033) 0.418 4.014 ( -0.645 0.000 -0.580) 0.868 4.042 ( 0.207 0.000 0.279) 0.347 4.238 ( -4.182 0.000 8.780) 9.726 4.298 ( 4.749 0.000 -0.297) 4.758 4.456 ( -2.932 0.000 -3.673) 4.699 4.461 ( 0.147 0.000 -6.371) 6.373 4.585 ( -0.221 0.000 1.178) 1.198 4.595 ( 1.643 0.000 -0.054) 1.644 4.736 ( -1.491 0.000 1.470) 2.094 4.763 ( 0.850 0.000 -1.285) 1.541 4.867 ( -0.618 0.000 2.337) 2.417 4.905 ( 1.877 0.000 -1.678) 2.518 4.926 ( -2.051 0.000 6.096) 6.432 5.079 ( 1.277 0.000 0.657) 1.436 5.081 ( 3.068 0.000 -3.252) 4.471 5.113 ( 1.287 0.000 -0.818) 1.525 5.335 ( -2.938 0.000 1.488) 3.294 5.337 ( 2.065 0.000 -1.540) 2.576 6.253 ( 0.116 0.000 0.707) 0.716 6.303 ( -0.040 0.000 -1.323) 1.323 6.321 ( 0.164 0.000 0.639) 0.660 6.333 ( 0.308 0.000 0.017) 0.308 6.734 ( -0.033 0.000 0.192) 0.194 6.742 ( 0.414 0.000 -0.470) 0.626 6.762 ( 0.970 0.000 0.406) 1.052 6.792 ( 0.350 0.000 -0.472) 0.588 7.220 ( 0.764 0.000 0.147) 0.778 7.229 ( 1.941 0.000 0.189) 1.950 7.275 ( -0.550 0.000 0.715) 0.902 7.291 ( -1.972 0.000 -0.388) 2.010 7.396 ( 0.901 0.000 0.471) 1.017 7.434 ( -0.024 0.000 -0.388) 0.389 7.482 ( -1.765 0.000 0.848) 1.958 7.487 ( -1.307 0.000 -0.543) 1.415 7.827 ( -0.807 0.000 1.170) 1.422 7.904 ( -0.743 0.000 -2.515) 2.623 8.059 ( 0.613 0.000 1.548) 1.665 8.125 ( -0.391 0.000 -0.789) 0.880 8.203 ( 0.734 0.000 0.820) 1.101 8.235 ( 1.240 0.000 -0.961) 1.569 8.270 ( 0.726 0.000 1.919) 2.052 8.332 ( -1.018 0.000 1.083) 1.487 8.359 ( 0.869 0.000 -0.716) 1.126 8.388 ( 0.341 0.000 -2.758) 2.779 8.506 ( 0.382 0.000 -0.262) 0.463 8.533 ( -2.298 0.000 0.401) 2.333 8.578 ( -1.357 0.000 1.422) 1.965 8.622 ( 2.947 0.000 2.159) 3.653 8.651 ( -1.550 0.000 -0.654) 1.682 8.683 ( 0.781 0.000 -0.224) 0.813 8.683 ( -0.727 0.000 0.477) 0.869 8.720 ( 1.032 0.000 -0.220) 1.055 8.761 ( 1.110 0.000 -1.220) 1.649 8.785 ( -0.562 0.000 -1.519) 1.619 8.834 ( 1.982 0.000 -1.330) 2.387 8.866 ( -0.633 0.000 0.122) 0.644 8.943 ( 0.567 0.000 -0.239) 0.616 8.953 ( -1.708 0.000 1.501) 2.274 9.029 ( 0.407 0.000 -1.417) 1.474 9.033 ( 0.198 0.000 0.882) 0.904 9.095 ( -1.697 0.000 -0.208) 1.710 9.137 ( -1.406 0.000 0.846) 1.641 9.240 ( -0.929 0.000 0.728) 1.180 9.272 ( -0.910 0.000 0.091) 0.914 9.273 ( 1.269 0.000 -1.805) 2.206 9.321 ( -0.497 0.000 -2.149) 2.206 9.533 ( -0.921 0.000 3.253) 3.381 9.564 ( 0.927 0.000 2.656) 2.813 9.616 ( 0.306 0.000 -1.764) 1.790 9.727 ( -2.087 0.000 -2.016) 2.902 9.812 ( 1.275 0.000 1.687) 2.115 9.842 ( 1.263 0.000 -0.004) 1.263 9.870 ( -0.009 0.000 -0.315) 0.315 9.878 ( -0.395 0.000 -0.424) 0.580 10.013 ( 0.357 0.000 0.755) 0.835 10.042 ( 0.540 0.000 -0.292) 0.614 10.080 ( 0.828 0.000 0.294) 0.879 10.120 ( 0.357 0.000 -0.822) 0.896 10.126 ( 0.600 0.000 0.689) 0.913 10.179 ( 0.121 0.000 -1.059) 1.066 10.188 ( 2.398 0.000 -1.476) 2.816 10.191 ( -2.293 0.000 1.477) 2.727 10.357 ( 0.217 0.000 -0.059) 0.225 10.376 ( -1.518 0.000 0.069) 1.519 10.459 ( -1.026 0.000 1.202) 1.580 10.499 ( -0.182 0.000 -1.107) 1.122 10.618 ( 0.039 0.000 0.213) 0.216 10.629 ( 0.048 0.000 -0.245) 0.250 10.771 ( -0.112 0.000 0.697) 0.706 10.790 ( 0.632 0.000 -0.631) 0.893 ======================= Grid point 39 (17/45) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.703 ( 0.567 0.000 1.160) 1.291 0.748 ( 2.785 0.000 2.365) 3.654 0.873 ( 0.294 0.000 1.695) 1.721 0.909 ( -4.025 0.000 3.063) 5.057 1.004 ( -4.712 0.000 3.309) 5.758 1.009 ( -5.908 0.000 0.179) 5.911 1.164 ( 0.039 0.000 -2.470) 2.470 1.205 ( 6.826 0.000 7.331) 10.017 1.264 ( 1.337 0.000 -1.731) 2.187 1.319 ( -4.412 0.000 -0.826) 4.489 1.354 ( -1.215 0.000 -3.688) 3.883 1.368 ( 0.712 0.000 3.221) 3.299 1.380 ( -2.287 0.000 -3.844) 4.473 1.398 ( 0.865 0.000 0.304) 0.917 1.412 ( -2.098 0.000 -1.982) 2.886 1.472 ( -0.677 0.000 -0.731) 0.996 1.522 ( 1.919 0.000 0.246) 1.935 1.539 ( 1.503 0.000 -1.070) 1.845 1.592 ( -3.088 0.000 0.325) 3.105 1.600 ( -0.782 0.000 4.204) 4.276 1.610 ( 0.466 0.000 0.197) 0.506 1.631 ( 2.938 0.000 -0.549) 2.989 1.656 ( -1.187 0.000 1.514) 1.924 1.677 ( -2.281 0.000 -0.442) 2.323 1.681 ( 0.818 0.000 0.058) 0.820 1.698 ( 0.284 0.000 0.467) 0.546 1.702 ( -1.275 0.000 2.378) 2.698 1.726 ( -1.273 0.000 0.205) 1.289 1.778 ( -0.070 0.000 2.520) 2.521 1.793 ( 0.680 0.000 -0.784) 1.038 1.798 ( -2.631 0.000 -0.439) 2.668 1.826 ( -0.620 0.000 0.287) 0.683 1.870 ( 3.395 0.000 -1.078) 3.561 1.892 ( 1.039 0.000 0.720) 1.264 1.922 ( -1.562 0.000 0.101) 1.565 1.926 ( -0.631 0.000 -2.094) 2.188 1.927 ( 1.242 0.000 0.530) 1.350 1.929 ( 1.978 0.000 -2.566) 3.240 1.979 ( 2.229 0.000 2.589) 3.416 2.018 ( -1.733 0.000 3.121) 3.570 2.059 ( 2.047 0.000 2.345) 3.113 2.077 ( 0.564 0.000 2.311) 2.379 2.093 ( 0.006 0.000 1.985) 1.985 2.189 ( 3.097 0.000 -3.670) 4.802 2.191 ( -3.293 0.000 4.691) 5.732 2.205 ( -3.330 0.000 -1.401) 3.613 2.280 ( 2.459 0.000 1.471) 2.865 2.281 ( -1.834 0.000 -1.994) 2.709 2.331 ( 0.824 0.000 2.467) 2.601 2.444 ( -0.011 0.000 -3.848) 3.848 2.475 ( 0.568 0.000 1.369) 1.482 2.539 ( -1.004 0.000 -3.042) 3.204 2.546 ( -8.150 0.000 1.097) 8.223 2.571 ( 0.156 0.000 1.022) 1.034 2.571 ( 0.855 0.000 2.068) 2.238 2.626 ( -0.345 0.000 -4.867) 4.879 2.652 ( 5.460 0.000 -2.329) 5.936 2.680 ( -1.401 0.000 -3.497) 3.767 2.752 ( 2.999 0.000 -1.978) 3.593 2.843 ( -4.387 0.000 -3.734) 5.761 2.889 ( 1.048 0.000 -2.215) 2.450 2.893 ( -0.937 0.000 2.869) 3.018 2.946 ( -0.184 0.000 3.615) 3.619 3.074 ( 2.610 0.000 -2.035) 3.310 3.120 ( -1.515 0.000 -2.919) 3.289 3.143 ( -1.693 0.000 -0.830) 1.885 3.219 ( -0.655 0.000 3.268) 3.333 3.258 ( -0.561 0.000 1.937) 2.017 3.371 ( 0.574 0.000 -0.813) 0.996 3.479 ( 2.781 0.000 -4.729) 5.487 3.533 ( 3.364 0.000 4.149) 5.342 3.544 ( 0.148 0.000 0.920) 0.932 3.545 ( -1.388 0.000 -5.119) 5.303 3.647 ( -0.079 0.000 -0.295) 0.305 3.740 ( 1.101 0.000 1.901) 2.197 3.836 ( -0.016 0.000 -5.208) 5.208 3.943 ( 0.665 0.000 5.109) 5.153 3.969 ( 1.032 0.000 -0.723) 1.260 4.003 ( -0.531 0.000 -1.232) 1.341 4.051 ( 0.498 0.000 0.140) 0.518 4.159 ( -3.522 0.000 7.920) 8.668 4.317 ( -2.182 0.000 0.843) 2.340 4.472 ( 1.161 0.000 -5.587) 5.706 4.483 ( 5.160 0.000 -3.174) 6.058 4.569 ( -1.469 0.000 0.587) 1.582 4.613 ( 0.059 0.000 0.231) 0.239 4.717 ( -0.466 0.000 0.824) 0.947 4.797 ( 2.986 0.000 -1.399) 3.297 4.835 ( -2.816 0.000 1.611) 3.244 4.888 ( -1.837 0.000 5.734) 6.022 4.935 ( 1.144 0.000 -0.701) 1.342 5.069 ( -1.763 0.000 0.342) 1.796 5.116 ( -0.983 0.000 -0.740) 1.230 5.122 ( -0.409 0.000 -1.908) 1.951 5.287 ( -1.015 0.000 0.082) 1.018 5.366 ( 0.725 0.000 -0.067) 0.728 6.257 ( 0.309 0.000 0.832) 0.888 6.301 ( -0.117 0.000 -1.451) 1.456 6.316 ( -0.647 0.000 0.466) 0.798 6.336 ( -0.020 0.000 0.193) 0.194 6.729 ( -0.443 0.000 0.048) 0.446 6.743 ( -0.352 0.000 -0.257) 0.436 6.770 ( -0.167 0.000 0.572) 0.596 6.788 ( -0.784 0.000 -0.705) 1.055 7.226 ( -2.025 0.000 -0.033) 2.025 7.232 ( 0.229 0.000 0.321) 0.394 7.265 ( -0.296 0.000 0.593) 0.663 7.294 ( 2.109 0.000 -0.209) 2.120 7.406 ( 0.016 0.000 0.861) 0.861 7.426 ( -0.803 0.000 -0.775) 1.116 7.465 ( 0.090 0.000 0.282) 0.296 7.497 ( 2.380 0.000 0.013) 2.380 7.822 ( 0.243 0.000 1.059) 1.087 7.898 ( 0.280 0.000 -2.251) 2.269 8.073 ( 0.793 0.000 1.727) 1.900 8.119 ( -0.298 0.000 -1.124) 1.163 8.203 ( -0.456 0.000 0.553) 0.717 8.243 ( -1.081 0.000 -0.787) 1.337 8.265 ( -1.145 0.000 2.185) 2.467 8.314 ( -0.018 0.000 0.057) 0.060 8.376 ( 0.558 0.000 -0.352) 0.659 8.390 ( -0.127 0.000 -2.121) 2.125 8.505 ( -0.540 0.000 -0.306) 0.621 8.543 ( 3.153 0.000 -0.442) 3.184 8.568 ( 0.412 0.000 2.590) 2.623 8.609 ( -2.187 0.000 0.314) 2.209 8.659 ( 0.263 0.000 -0.243) 0.358 8.683 ( -0.422 0.000 1.040) 1.122 8.685 ( 1.842 0.000 1.577) 2.425 8.733 ( -1.579 0.000 -1.830) 2.417 8.757 ( -1.870 0.000 -0.673) 1.988 8.780 ( 1.103 0.000 -1.894) 2.192 8.850 ( -0.008 0.000 -1.397) 1.397 8.883 ( 2.164 0.000 -1.183) 2.466 8.912 ( -2.147 0.000 1.806) 2.806 8.956 ( 1.000 0.000 0.728) 1.237 8.999 ( -2.536 0.000 -0.068) 2.537 9.034 ( -0.133 0.000 -0.165) 0.212 9.123 ( 0.212 0.000 -0.477) 0.522 9.140 ( 4.383 0.000 1.066) 4.511 9.238 ( 0.510 0.000 0.800) 0.949 9.253 ( -0.799 0.000 -0.873) 1.184 9.297 ( 1.041 0.000 -1.146) 1.548 9.314 ( -0.113 0.000 -2.043) 2.046 9.509 ( -1.257 0.000 2.640) 2.924 9.591 ( 1.506 0.000 3.827) 4.113 9.618 ( -0.342 0.000 -1.019) 1.075 9.698 ( -0.561 0.000 -3.106) 3.156 9.829 ( 0.351 0.000 1.661) 1.697 9.856 ( -0.285 0.000 0.392) 0.484 9.869 ( -0.045 0.000 -0.400) 0.402 9.873 ( 0.330 0.000 -0.853) 0.914 10.011 ( -0.580 0.000 0.616) 0.846 10.043 ( -0.440 0.000 0.012) 0.441 10.083 ( -0.287 0.000 0.259) 0.387 10.119 ( -0.517 0.000 -0.801) 0.954 10.136 ( -0.293 0.000 -0.102) 0.310 10.148 ( -1.457 0.000 0.785) 1.655 10.173 ( -0.688 0.000 -1.215) 1.396 10.224 ( 1.076 0.000 0.025) 1.076 10.366 ( 0.749 0.000 -0.536) 0.920 10.370 ( 1.038 0.000 0.464) 1.137 10.449 ( 0.118 0.000 1.013) 1.020 10.504 ( 0.631 0.000 -0.865) 1.071 10.617 ( -0.124 0.000 0.208) 0.242 10.628 ( -0.101 0.000 -0.238) 0.258 10.765 ( -0.436 0.000 0.446) 0.623 10.797 ( 0.004 0.000 -0.380) 0.380 ======================= Grid point 40 (18/45) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -3.182 0.000 9.666) 10.176 0.732 ( -7.081 0.000 8.540) 11.094 0.791 ( -2.762 0.000 -0.956) 2.923 0.865 ( -3.405 0.000 -1.767) 3.836 0.934 ( 3.433 0.000 1.804) 3.878 0.970 ( 0.401 0.000 -1.660) 1.708 1.141 ( -2.487 0.000 -2.151) 3.288 1.196 ( -7.725 0.000 -5.170) 9.296 1.275 ( -1.378 0.000 -1.967) 2.402 1.282 ( -1.227 0.000 9.093) 9.176 1.316 ( -5.110 0.000 -1.120) 5.232 1.352 ( 1.198 0.000 -1.021) 1.574 1.362 ( -1.358 0.000 -2.392) 2.751 1.390 ( -0.199 0.000 1.272) 1.287 1.430 ( -0.602 0.000 -0.623) 0.866 1.453 ( 2.604 0.000 2.021) 3.296 1.508 ( -0.477 0.000 0.288) 0.557 1.543 ( -6.715 0.000 3.465) 7.557 1.549 ( -1.727 0.000 2.529) 3.063 1.582 ( -2.888 0.000 3.038) 4.191 1.583 ( 0.577 0.000 1.917) 2.002 1.602 ( -2.382 0.000 -1.214) 2.674 1.627 ( -0.071 0.000 -0.915) 0.918 1.668 ( -1.778 0.000 -1.035) 2.057 1.673 ( -1.218 0.000 1.764) 2.144 1.708 ( -0.731 0.000 1.787) 1.931 1.709 ( 1.332 0.000 2.335) 2.689 1.732 ( 1.181 0.000 -2.219) 2.513 1.755 ( 1.161 0.000 1.518) 1.911 1.764 ( 2.018 0.000 -2.975) 3.595 1.785 ( 1.056 0.000 -0.080) 1.059 1.855 ( -0.535 0.000 -3.267) 3.310 1.879 ( -1.304 0.000 2.233) 2.585 1.898 ( -1.606 0.000 1.591) 2.260 1.901 ( 0.364 0.000 0.417) 0.553 1.906 ( -1.216 0.000 -4.749) 4.902 1.983 ( 3.971 0.000 1.748) 4.338 1.988 ( 1.871 0.000 0.564) 1.954 2.008 ( 3.322 0.000 5.533) 6.454 2.059 ( 3.944 0.000 2.638) 4.745 2.079 ( -0.114 0.000 -2.663) 2.666 2.099 ( 1.450 0.000 2.371) 2.779 2.114 ( -3.581 0.000 1.370) 3.834 2.135 ( 3.136 0.000 -0.013) 3.136 2.169 ( -0.315 0.000 -2.571) 2.590 2.236 ( 0.615 0.000 -3.552) 3.605 2.261 ( 1.249 0.000 -1.066) 1.643 2.290 ( -0.560 0.000 -2.288) 2.356 2.349 ( 0.182 0.000 4.806) 4.809 2.447 ( -0.167 0.000 -2.950) 2.955 2.457 ( -3.346 0.000 -0.500) 3.383 2.466 ( 0.181 0.000 1.626) 1.636 2.519 ( -1.067 0.000 -0.982) 1.450 2.563 ( -0.413 0.000 -2.295) 2.332 2.572 ( -0.732 0.000 2.226) 2.344 2.623 ( 0.593 0.000 -3.751) 3.798 2.656 ( -0.524 0.000 -2.315) 2.374 2.729 ( 1.938 0.000 -1.245) 2.303 2.782 ( -1.340 0.000 -7.274) 7.397 2.793 ( -0.726 0.000 -0.978) 1.218 2.882 ( 1.347 0.000 -1.575) 2.072 2.896 ( -0.416 0.000 -0.356) 0.547 2.904 ( -2.317 0.000 5.490) 5.959 3.058 ( -3.363 0.000 2.451) 4.162 3.114 ( -0.264 0.000 -1.178) 1.207 3.138 ( 0.876 0.000 0.167) 0.892 3.205 ( -0.514 0.000 0.167) 0.541 3.264 ( 1.379 0.000 -0.646) 1.523 3.341 ( -3.222 0.000 3.024) 4.419 3.477 ( -1.603 0.000 -3.064) 3.458 3.545 ( 1.870 0.000 4.044) 4.455 3.594 ( 3.479 0.000 -7.618) 8.374 3.647 ( 5.049 0.000 -0.286) 5.058 3.656 ( 1.707 0.000 -0.624) 1.817 3.755 ( 0.460 0.000 2.556) 2.597 3.812 ( -2.483 0.000 -3.245) 4.086 3.956 ( 0.924 0.000 4.570) 4.662 3.973 ( -0.777 0.000 0.135) 0.788 3.988 ( -1.073 0.000 -1.269) 1.662 4.067 ( 1.514 0.000 -1.798) 2.350 4.133 ( 1.114 0.000 4.086) 4.236 4.286 ( -0.560 0.000 2.850) 2.904 4.506 ( 2.218 0.000 -2.764) 3.544 4.520 ( -2.961 0.000 -0.048) 2.961 4.590 ( 4.561 0.000 -4.197) 6.198 4.594 ( -1.926 0.000 0.198) 1.937 4.721 ( 0.893 0.000 1.491) 1.738 4.764 ( -4.324 0.000 1.206) 4.489 4.850 ( -0.572 0.000 2.822) 2.879 4.883 ( 4.079 0.000 -0.159) 4.082 4.940 ( -1.253 0.000 -0.931) 1.561 5.017 ( -2.872 0.000 0.081) 2.873 5.073 ( -3.476 0.000 1.359) 3.732 5.079 ( -2.743 0.000 -0.168) 2.748 5.303 ( 1.827 0.000 -2.554) 3.140 5.361 ( -1.199 0.000 1.097) 1.625 6.264 ( 0.329 0.000 0.836) 0.899 6.297 ( -0.334 0.000 -1.587) 1.622 6.298 ( -1.167 0.000 0.380) 1.227 6.331 ( -0.489 0.000 0.075) 0.495 6.718 ( -0.771 0.000 -0.074) 0.775 6.727 ( -1.271 0.000 0.051) 1.272 6.759 ( -0.834 0.000 0.509) 0.977 6.767 ( -1.248 0.000 -1.173) 1.712 7.186 ( -1.947 0.000 0.497) 2.009 7.225 ( -0.791 0.000 -0.924) 1.216 7.269 ( 0.672 0.000 2.318) 2.414 7.337 ( 2.088 0.000 -0.676) 2.195 7.406 ( 0.211 0.000 1.012) 1.034 7.413 ( -0.393 0.000 -1.013) 1.086 7.478 ( 1.143 0.000 0.945) 1.484 7.561 ( 3.891 0.000 0.413) 3.913 7.829 ( 0.309 0.000 0.607) 0.681 7.914 ( 1.236 0.000 -1.835) 2.212 8.085 ( 0.073 0.000 1.487) 1.489 8.102 ( -1.822 0.000 -1.198) 2.181 8.196 ( -0.115 0.000 0.550) 0.562 8.206 ( -1.936 0.000 -0.858) 2.117 8.252 ( 0.295 0.000 2.294) 2.313 8.328 ( 0.867 0.000 -0.134) 0.877 8.374 ( -0.700 0.000 0.405) 0.809 8.387 ( 0.102 0.000 -2.785) 2.787 8.468 ( -3.524 0.000 0.392) 3.546 8.580 ( 0.962 0.000 2.544) 2.720 8.610 ( 2.085 0.000 -2.305) 3.108 8.618 ( 3.306 0.000 -0.169) 3.310 8.662 ( -0.105 0.000 -1.153) 1.158 8.666 ( -2.373 0.000 -2.397) 3.373 8.691 ( -0.751 0.000 -0.626) 0.978 8.702 ( -0.900 0.000 0.829) 1.224 8.732 ( 0.904 0.000 1.905) 2.109 8.810 ( 1.593 0.000 -0.697) 1.739 8.865 ( 1.049 0.000 -2.367) 2.589 8.875 ( -1.371 0.000 1.213) 1.831 8.904 ( -0.185 0.000 -1.473) 1.485 8.952 ( -1.838 0.000 0.581) 1.927 8.981 ( 0.987 0.000 1.023) 1.421 9.026 ( -0.467 0.000 1.449) 1.522 9.142 ( 1.275 0.000 -0.850) 1.533 9.213 ( 2.591 0.000 0.029) 2.591 9.235 ( -0.234 0.000 0.422) 0.483 9.265 ( 1.506 0.000 -0.674) 1.649 9.303 ( 0.050 0.000 -1.375) 1.376 9.327 ( 1.192 0.000 0.004) 1.192 9.491 ( -0.443 0.000 3.583) 3.611 9.604 ( -0.777 0.000 -1.129) 1.371 9.615 ( 0.936 0.000 4.296) 4.397 9.706 ( 1.028 0.000 -2.714) 2.902 9.825 ( -0.691 0.000 1.024) 1.235 9.839 ( -1.112 0.000 -0.119) 1.118 9.868 ( -0.040 0.000 -0.439) 0.440 9.884 ( 0.515 0.000 -0.648) 0.828 9.992 ( -1.317 0.000 0.499) 1.408 10.027 ( -1.141 0.000 0.308) 1.182 10.075 ( -0.329 0.000 0.034) 0.331 10.104 ( -0.824 0.000 -1.049) 1.334 10.118 ( -0.483 0.000 -0.577) 0.752 10.141 ( -0.272 0.000 -0.126) 0.300 10.157 ( -0.843 0.000 -1.178) 1.449 10.225 ( -0.788 0.000 1.274) 1.498 10.392 ( 1.142 0.000 1.142) 1.615 10.401 ( 2.605 0.000 -1.169) 2.855 10.462 ( 1.067 0.000 0.779) 1.321 10.519 ( 0.833 0.000 -0.737) 1.112 10.614 ( -0.178 0.000 0.186) 0.257 10.625 ( -0.244 0.000 -0.228) 0.334 10.757 ( -0.376 0.000 0.181) 0.417 10.790 ( -0.689 0.000 -0.112) 0.698 ======================= Grid point 41 (19/45) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.513 ( -12.873 0.000 11.799) 17.462 0.536 ( -13.561 0.000 12.527) 18.462 0.807 ( -2.895 0.000 6.708) 7.306 0.820 ( -2.680 0.000 0.059) 2.680 0.958 ( -5.491 0.000 3.982) 6.783 1.009 ( 0.998 0.000 0.259) 1.031 1.049 ( -0.640 0.000 3.141) 3.206 1.096 ( 0.579 0.000 -6.713) 6.738 1.151 ( -4.439 0.000 -2.719) 5.206 1.241 ( -1.214 0.000 -0.592) 1.350 1.248 ( -2.016 0.000 0.988) 2.245 1.335 ( -0.984 0.000 -1.494) 1.789 1.336 ( -2.151 0.000 -0.625) 2.240 1.435 ( 3.122 0.000 0.736) 3.208 1.448 ( 1.887 0.000 -2.028) 2.770 1.464 ( 0.490 0.000 -1.276) 1.367 1.478 ( -4.720 0.000 2.629) 5.403 1.512 ( -0.480 0.000 5.874) 5.893 1.513 ( 0.166 0.000 0.420) 0.452 1.561 ( -0.679 0.000 -0.857) 1.093 1.599 ( 1.012 0.000 3.944) 4.072 1.604 ( -2.914 0.000 -0.515) 2.959 1.617 ( 0.950 0.000 2.958) 3.107 1.641 ( -0.391 0.000 0.027) 0.392 1.651 ( 3.439 0.000 -1.903) 3.931 1.699 ( -0.382 0.000 1.408) 1.458 1.719 ( 0.354 0.000 -0.376) 0.517 1.764 ( 0.103 0.000 -0.269) 0.288 1.775 ( -0.026 0.000 0.454) 0.454 1.788 ( -3.906 0.000 -1.729) 4.271 1.798 ( -0.054 0.000 -0.638) 0.641 1.811 ( 0.596 0.000 -5.360) 5.393 1.861 ( -1.173 0.000 1.003) 1.543 1.872 ( -0.814 0.000 -1.325) 1.555 1.882 ( 1.591 0.000 1.578) 2.241 1.937 ( 2.078 0.000 -0.218) 2.089 2.009 ( -0.887 0.000 2.014) 2.200 2.020 ( -0.659 0.000 -1.053) 1.242 2.044 ( -0.313 0.000 2.293) 2.314 2.077 ( 1.329 0.000 4.136) 4.344 2.103 ( 3.614 0.000 -2.047) 4.154 2.115 ( 1.383 0.000 0.033) 1.383 2.145 ( -2.072 0.000 -4.170) 4.656 2.150 ( 3.450 0.000 1.992) 3.984 2.203 ( 3.468 0.000 -0.912) 3.586 2.244 ( 0.396 0.000 -1.264) 1.324 2.267 ( -1.355 0.000 -0.633) 1.496 2.297 ( 1.015 0.000 -0.590) 1.174 2.371 ( 1.876 0.000 1.920) 2.684 2.374 ( -3.788 0.000 -0.955) 3.906 2.424 ( -2.245 0.000 -1.013) 2.463 2.490 ( -1.631 0.000 0.555) 1.723 2.504 ( 2.534 0.000 2.094) 3.288 2.552 ( -1.299 0.000 -0.287) 1.330 2.562 ( 0.061 0.000 -2.624) 2.625 2.638 ( 0.325 0.000 -5.728) 5.737 2.665 ( 1.331 0.000 -0.401) 1.390 2.711 ( -2.715 0.000 0.717) 2.808 2.773 ( -0.292 0.000 -0.668) 0.729 2.787 ( 1.406 0.000 -8.162) 8.282 2.864 ( -1.751 0.000 4.217) 4.566 2.878 ( -1.348 0.000 1.792) 2.243 2.940 ( 3.045 0.000 -3.617) 4.728 2.997 ( -2.344 0.000 1.488) 2.776 3.096 ( -1.299 0.000 0.477) 1.383 3.158 ( 1.286 0.000 2.369) 2.695 3.200 ( -0.151 0.000 -1.888) 1.894 3.280 ( -2.687 0.000 4.406) 5.161 3.297 ( 1.497 0.000 -1.159) 1.893 3.452 ( -0.823 0.000 -5.123) 5.189 3.565 ( -0.833 0.000 6.482) 6.535 3.605 ( -1.051 0.000 -0.108) 1.056 3.685 ( -1.485 0.000 -3.078) 3.417 3.722 ( 3.565 0.000 -6.754) 7.637 3.760 ( 0.309 0.000 2.198) 2.220 3.785 ( 1.215 0.000 -0.985) 1.564 3.961 ( -0.272 0.000 0.653) 0.707 3.970 ( -0.413 0.000 -0.068) 0.418 3.984 ( 1.758 0.000 2.553) 3.099 4.092 ( 0.843 0.000 -1.942) 2.117 4.199 ( 5.398 0.000 -0.290) 5.406 4.278 ( -1.392 0.000 4.737) 4.937 4.458 ( -2.665 0.000 -0.866) 2.802 4.532 ( -1.027 0.000 2.080) 2.320 4.552 ( -1.918 0.000 -0.762) 2.064 4.656 ( 2.461 0.000 -5.374) 5.910 4.692 ( -1.947 0.000 0.795) 2.103 4.746 ( 1.107 0.000 2.711) 2.928 4.836 ( -0.312 0.000 1.753) 1.780 4.879 ( -3.482 0.000 -2.366) 4.210 4.971 ( 4.138 0.000 -1.255) 4.324 4.991 ( -1.251 0.000 2.414) 2.718 5.015 ( -1.836 0.000 -0.012) 1.836 5.018 ( -3.316 0.000 0.709) 3.391 5.327 ( -2.052 0.000 1.453) 2.514 5.336 ( 1.504 0.000 -2.521) 2.935 6.269 ( 0.233 0.000 0.641) 0.682 6.275 ( -1.108 0.000 0.324) 1.154 6.284 ( -1.159 0.000 -1.764) 2.111 6.318 ( -0.787 0.000 -0.274) 0.833 6.701 ( -1.299 0.000 0.156) 1.308 6.702 ( -0.719 0.000 -0.023) 0.719 6.742 ( -1.511 0.000 -1.654) 2.241 6.742 ( -0.862 0.000 0.230) 0.892 7.156 ( -1.174 0.000 0.942) 1.505 7.210 ( -0.578 0.000 -1.514) 1.620 7.292 ( 1.951 0.000 3.433) 3.948 7.365 ( 0.752 0.000 -0.662) 1.002 7.413 ( 0.323 0.000 -0.771) 0.836 7.415 ( 0.573 0.000 0.607) 0.835 7.516 ( 3.492 0.000 3.456) 4.913 7.630 ( 2.739 0.000 1.005) 2.918 7.836 ( 0.744 0.000 -0.369) 0.831 7.940 ( 1.371 0.000 -1.230) 1.842 8.053 ( -2.945 0.000 -0.427) 2.976 8.054 ( -3.940 0.000 -0.851) 4.030 8.193 ( 0.788 0.000 -1.128) 1.377 8.199 ( 0.263 0.000 0.562) 0.620 8.277 ( 1.834 0.000 2.130) 2.811 8.334 ( -0.238 0.000 1.155) 1.179 8.350 ( -1.766 0.000 0.965) 2.013 8.398 ( 0.651 0.000 -4.082) 4.134 8.410 ( -1.744 0.000 -0.945) 1.984 8.538 ( -6.522 0.000 -5.278) 8.390 8.617 ( -0.134 0.000 1.151) 1.159 8.642 ( -0.108 0.000 -0.576) 0.586 8.662 ( 1.534 0.000 -2.230) 2.707 8.679 ( 0.939 0.000 0.318) 0.991 8.696 ( 0.232 0.000 0.912) 0.941 8.708 ( 2.169 0.000 0.342) 2.196 8.759 ( 1.331 0.000 1.479) 1.989 8.825 ( -0.653 0.000 -0.766) 1.007 8.859 ( -0.223 0.000 0.081) 0.237 8.882 ( 0.681 0.000 -2.166) 2.270 8.900 ( 0.494 0.000 -1.046) 1.156 8.923 ( -1.088 0.000 0.194) 1.105 8.997 ( 0.665 0.000 1.334) 1.491 9.021 ( 0.128 0.000 2.221) 2.224 9.160 ( 1.008 0.000 -0.539) 1.143 9.232 ( -0.271 0.000 -0.501) 0.570 9.246 ( 1.305 0.000 2.126) 2.494 9.292 ( 1.203 0.000 -1.002) 1.566 9.305 ( 0.041 0.000 -1.073) 1.073 9.347 ( 0.575 0.000 0.711) 0.915 9.500 ( 1.610 0.000 4.551) 4.827 9.599 ( 0.299 0.000 -1.812) 1.836 9.629 ( 0.714 0.000 5.037) 5.088 9.726 ( 0.990 0.000 -1.090) 1.473 9.805 ( -1.239 0.000 0.668) 1.408 9.818 ( -1.112 0.000 -0.882) 1.419 9.870 ( 0.239 0.000 -0.674) 0.715 9.889 ( 0.014 0.000 -0.586) 0.586 9.970 ( -0.783 0.000 0.616) 0.996 10.007 ( -0.794 0.000 0.601) 0.995 10.076 ( 0.232 0.000 -0.841) 0.873 10.094 ( -0.226 0.000 -1.557) 1.573 10.109 ( -0.734 0.000 -1.843) 1.984 10.142 ( -0.762 0.000 -1.162) 1.390 10.145 ( 1.028 0.000 1.115) 1.516 10.202 ( -1.531 0.000 1.376) 2.058 10.409 ( 0.471 0.000 1.588) 1.656 10.451 ( 2.209 0.000 -1.560) 2.704 10.485 ( 1.283 0.000 0.986) 1.618 10.532 ( 0.439 0.000 -0.766) 0.882 10.612 ( -0.007 0.000 0.030) 0.031 10.618 ( -0.474 0.000 -0.233) 0.528 10.753 ( -0.036 0.000 0.091) 0.098 10.773 ( -0.982 0.000 0.047) 0.983 ======================= Grid point 42 (20/45) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.420 ( 4.448 10.240 8.886) 14.269 0.475 ( -2.363 11.910 11.264) 16.562 0.806 ( 0.081 3.313 -2.775) 4.322 0.920 ( -3.386 1.664 1.808) 4.184 0.923 ( 1.759 7.471 4.393) 8.844 1.013 ( -0.098 0.930 -0.471) 1.047 1.071 ( 2.456 -0.398 1.942) 3.156 1.100 ( -0.501 -1.080 -4.134) 4.302 1.138 ( -1.499 0.738 -1.808) 2.462 1.202 ( -0.273 -1.578 1.069) 1.925 1.281 ( -0.438 0.708 1.344) 1.581 1.305 ( 1.879 -1.591 -0.139) 2.466 1.315 ( 3.744 -1.170 0.267) 3.932 1.381 ( -1.493 0.535 2.718) 3.147 1.407 ( 0.131 -3.343 -0.202) 3.352 1.432 ( -0.444 -1.978 0.769) 2.168 1.472 ( -0.560 -1.295 3.535) 3.806 1.493 ( -1.146 -1.379 -1.246) 2.183 1.510 ( 0.235 0.911 -0.244) 0.972 1.518 ( 0.425 -1.252 -0.048) 1.322 1.551 ( -1.562 -4.177 0.252) 4.467 1.596 ( -2.229 -2.271 -1.024) 3.343 1.626 ( 1.509 -2.159 -0.015) 2.634 1.636 ( -0.883 1.000 1.090) 1.722 1.653 ( 0.887 -3.434 0.364) 3.566 1.692 ( 0.220 -1.999 0.454) 2.062 1.707 ( 0.164 -0.759 0.980) 1.250 1.725 ( -0.271 2.437 1.267) 2.760 1.763 ( -1.627 -0.053 0.687) 1.767 1.786 ( 0.857 0.529 -3.387) 3.534 1.805 ( -0.465 -0.017 -1.666) 1.730 1.833 ( 1.292 1.572 -1.242) 2.384 1.879 ( -0.066 1.963 0.874) 2.150 1.899 ( 0.994 -0.064 -1.737) 2.002 1.917 ( -0.273 5.430 2.531) 5.997 1.954 ( -1.041 1.620 2.950) 3.523 1.970 ( -1.027 0.551 0.209) 1.184 2.017 ( -0.437 -2.135 2.386) 3.231 2.032 ( 2.212 0.877 -0.876) 2.536 2.099 ( 2.335 -2.041 -2.062) 3.724 2.110 ( 0.720 -2.052 1.156) 2.463 2.123 ( -1.391 0.921 1.038) 1.965 2.166 ( -1.136 1.853 -0.526) 2.236 2.208 ( -2.686 -0.039 -0.785) 2.799 2.245 ( -0.461 3.007 0.816) 3.150 2.260 ( 0.807 -1.291 -0.837) 1.737 2.295 ( 2.162 -0.147 -2.402) 3.235 2.309 ( 0.242 2.485 1.170) 2.757 2.348 ( 0.666 1.383 -1.248) 1.979 2.375 ( -0.986 0.067 -1.100) 1.479 2.390 ( 1.692 -0.889 -0.611) 2.006 2.465 ( -0.983 0.191 -0.985) 1.405 2.528 ( -0.484 0.535 2.169) 2.286 2.554 ( 0.207 0.228 -0.352) 0.468 2.590 ( -0.618 2.242 -0.119) 2.329 2.629 ( -0.800 1.587 -2.464) 3.038 2.670 ( 0.099 -0.648 -0.034) 0.657 2.725 ( 0.347 2.203 -1.512) 2.694 2.750 ( 0.639 -2.309 3.585) 4.312 2.813 ( -0.534 1.299 -4.158) 4.388 2.863 ( -0.225 2.670 0.716) 2.774 2.891 ( 0.428 3.197 -2.511) 4.088 2.953 ( -0.553 -1.795 -1.253) 2.258 2.968 ( 2.323 -2.081 -0.324) 3.136 3.097 ( -0.124 1.284 1.281) 1.818 3.154 ( -0.247 -1.466 1.758) 2.303 3.216 ( 1.890 0.464 -0.830) 2.116 3.239 ( -1.428 -0.874 1.893) 2.528 3.282 ( -0.340 -1.583 -1.226) 2.030 3.430 ( -1.332 -2.260 -2.168) 3.403 3.510 ( 0.079 -0.430 3.448) 3.475 3.574 ( -1.292 -1.598 1.408) 2.491 3.648 ( -1.183 -0.776 -4.596) 4.809 3.710 ( -0.563 -2.829 2.416) 3.762 3.802 ( 1.051 0.268 -2.258) 2.505 3.827 ( 0.768 1.278 -3.506) 3.810 3.938 ( 0.453 -0.837 1.447) 1.732 3.974 ( -0.259 0.166 0.188) 0.361 3.997 ( 2.284 -1.431 0.647) 2.772 4.061 ( -1.404 -2.185 -1.064) 2.807 4.265 ( -1.513 3.592 2.292) 4.521 4.345 ( 4.515 2.303 -1.267) 5.224 4.391 ( -0.931 -2.491 2.256) 3.487 4.496 ( -1.395 -1.413 -2.277) 3.021 4.543 ( -2.222 3.855 3.065) 5.403 4.680 ( 1.167 -0.326 -2.296) 2.596 4.715 ( -0.757 -0.079 1.826) 1.978 4.736 ( 0.569 0.138 1.344) 1.466 4.834 ( 1.616 -0.819 -2.339) 2.959 4.858 ( -0.216 -0.876 -1.565) 1.806 4.931 ( -0.715 0.600 2.353) 2.531 4.977 ( -2.641 1.623 2.370) 3.902 5.016 ( 1.287 -0.295 -1.037) 1.679 5.030 ( 1.167 -0.715 -0.217) 1.386 5.302 ( -1.030 0.927 0.562) 1.495 5.358 ( 0.860 -0.305 -1.506) 1.761 6.250 ( -0.443 -0.812 0.424) 1.017 6.270 ( 0.723 0.174 -0.356) 0.824 6.287 ( -0.369 -1.562 -0.140) 1.611 6.305 ( 0.312 0.660 -1.979) 2.110 6.704 ( 0.245 1.278 -0.219) 1.320 6.714 ( -0.741 1.403 -0.612) 1.700 6.731 ( 0.769 0.858 0.303) 1.191 6.740 ( -0.307 0.826 -0.134) 0.892 7.155 ( -0.028 1.042 0.689) 1.250 7.206 ( -0.142 0.070 -1.529) 1.538 7.300 ( 0.333 -1.416 3.087) 3.413 7.361 ( -0.143 -1.154 -0.628) 1.322 7.423 ( -0.295 0.798 0.104) 0.857 7.427 ( 0.292 0.466 -0.075) 0.554 7.545 ( 1.888 -4.475 4.302) 6.488 7.609 ( -0.612 -3.485 0.032) 3.538 7.899 ( 1.738 2.389 0.235) 2.963 7.913 ( -2.533 2.758 -0.419) 3.768 8.003 ( 1.547 2.339 0.694) 2.889 8.028 ( -1.178 1.651 -0.324) 2.053 8.168 ( 0.976 -3.924 0.251) 4.052 8.207 ( -0.958 -3.253 -1.370) 3.658 8.323 ( 1.327 2.141 0.144) 2.523 8.346 ( 0.559 0.656 -0.395) 0.948 8.383 ( 0.057 2.950 1.921) 3.521 8.422 ( -0.921 2.361 -0.596) 2.603 8.446 ( -0.482 1.260 -0.589) 1.473 8.505 ( -2.250 7.731 -7.162) 10.776 8.585 ( -0.702 -0.727 1.007) 1.427 8.645 ( 0.654 -0.697 -1.066) 1.432 8.684 ( -0.318 -0.127 -0.463) 0.576 8.692 ( 1.251 0.941 -1.342) 2.062 8.721 ( 0.195 1.624 1.389) 2.146 8.759 ( -1.194 -0.334 0.585) 1.370 8.762 ( -0.142 0.584 1.569) 1.680 8.796 ( -0.186 0.334 -0.711) 0.807 8.852 ( 0.278 -0.425 -0.668) 0.839 8.898 ( 0.504 -0.533 -1.659) 1.814 8.912 ( -0.245 1.614 0.351) 1.670 8.940 ( -0.933 0.750 -0.003) 1.197 8.980 ( 0.787 -1.383 0.589) 1.697 9.013 ( 0.405 -1.809 -0.444) 1.906 9.163 ( 0.376 -2.801 0.268) 2.839 9.184 ( -0.263 -3.615 -0.442) 3.652 9.231 ( 0.304 -3.367 -0.087) 3.382 9.270 ( -0.306 -2.942 -0.274) 2.970 9.295 ( 0.389 0.402 -0.813) 0.987 9.345 ( -0.205 -0.611 -0.547) 0.845 9.517 ( 1.653 -1.345 3.371) 3.989 9.624 ( 0.742 -0.275 -1.951) 2.105 9.635 ( -0.215 -1.748 5.516) 5.790 9.727 ( 0.502 -0.617 1.291) 1.516 9.779 ( -1.646 1.452 0.086) 2.197 9.809 ( -0.521 1.577 -1.504) 2.241 9.858 ( 0.557 -1.282 -1.148) 1.808 9.906 ( -0.407 0.914 -1.305) 1.644 9.973 ( 0.149 0.900 0.778) 1.199 10.002 ( 0.187 0.106 0.640) 0.675 10.045 ( -0.507 -1.805 -1.176) 2.213 10.062 ( -0.076 -1.267 -1.302) 1.819 10.123 ( -0.484 1.531 -0.682) 1.744 10.151 ( -0.284 1.276 -1.070) 1.690 10.181 ( 0.101 0.959 1.353) 1.661 10.202 ( 0.738 1.057 0.690) 1.462 10.416 ( -0.532 0.848 1.072) 1.467 10.472 ( 0.025 0.345 -0.993) 1.051 10.491 ( 0.567 -0.916 0.443) 1.165 10.516 ( -0.132 -1.315 -0.293) 1.353 10.628 ( -0.149 1.719 0.357) 1.762 10.644 ( 0.061 2.325 -0.342) 2.350 10.747 ( -0.346 -1.154 0.160) 1.216 10.758 ( 0.336 -0.456 -0.538) 0.781 ======================= Grid point 43 (21/45) ======================= q-point: ( 0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.529 ( 7.932 8.154 7.326) 13.531 0.617 ( 11.123 6.419 8.371) 15.329 0.820 ( 1.889 1.941 2.739) 3.852 0.912 ( 1.245 -0.217 -2.748) 3.025 0.952 ( -0.980 0.418 2.104) 2.359 1.013 ( 0.841 -0.308 -2.402) 2.564 1.076 ( -1.246 -0.970 -4.113) 4.406 1.096 ( 0.149 -2.415 -5.306) 5.832 1.158 ( 5.187 2.543 7.649) 9.585 1.210 ( 1.769 -0.856 0.510) 2.030 1.263 ( -2.340 0.568 0.114) 2.410 1.313 ( -0.528 -2.115 0.703) 2.291 1.350 ( 0.253 -0.041 -2.189) 2.204 1.399 ( 1.424 0.675 1.913) 2.478 1.399 ( 0.344 -0.169 0.773) 0.863 1.446 ( 0.362 -3.775 2.925) 4.790 1.467 ( -1.718 -2.039 -1.306) 2.969 1.495 ( -0.201 -0.208 2.530) 2.547 1.507 ( 2.487 -3.792 3.115) 5.502 1.540 ( 1.461 -5.361 1.006) 5.647 1.559 ( 2.804 -0.594 -0.325) 2.884 1.578 ( 1.525 -1.364 -1.427) 2.494 1.628 ( -2.406 -1.247 0.587) 2.773 1.640 ( 0.468 2.165 0.272) 2.231 1.647 ( 0.378 -0.355 0.428) 0.672 1.674 ( -1.399 -1.351 1.166) 2.267 1.693 ( 0.099 -1.400 0.505) 1.492 1.719 ( -1.647 1.307 -0.294) 2.123 1.766 ( 0.763 1.670 -0.969) 2.077 1.808 ( 0.774 0.863 -0.877) 1.454 1.813 ( 1.900 -2.206 -0.689) 2.992 1.836 ( -3.323 -0.441 1.473) 3.661 1.861 ( 1.125 2.143 -0.955) 2.602 1.906 ( -0.720 3.745 0.348) 3.829 1.913 ( 0.541 -2.473 -0.980) 2.714 1.942 ( -0.171 1.744 0.763) 1.911 1.970 ( 0.337 3.824 1.030) 3.975 1.991 ( -0.924 -0.936 1.443) 1.952 2.046 ( -4.460 -0.287 3.163) 5.475 2.106 ( -0.805 0.015 1.193) 1.440 2.113 ( 0.815 -1.153 -1.337) 1.945 2.123 ( -0.024 0.771 0.350) 0.847 2.137 ( 0.270 -1.577 -2.880) 3.295 2.170 ( -1.412 2.524 -0.658) 2.966 2.236 ( -0.754 2.806 1.334) 3.197 2.266 ( -0.475 -0.584 -1.673) 1.835 2.319 ( 0.155 -0.587 0.881) 1.070 2.321 ( 0.538 1.221 0.528) 1.435 2.359 ( 1.341 -2.585 -1.358) 3.213 2.370 ( 1.219 1.974 -3.125) 3.891 2.422 ( 1.377 0.731 -1.117) 1.918 2.477 ( 2.317 1.897 -0.002) 2.995 2.512 ( -1.270 0.967 1.986) 2.548 2.551 ( -0.758 0.522 -1.298) 1.591 2.580 ( 0.539 1.926 -1.261) 2.365 2.636 ( -0.112 1.208 -1.566) 1.981 2.662 ( 0.424 -0.163 0.812) 0.931 2.736 ( -0.348 0.792 0.731) 1.132 2.759 ( 0.198 -0.665 -0.605) 0.921 2.822 ( 1.155 0.783 -2.949) 3.263 2.851 ( -0.399 6.023 -0.180) 6.039 2.895 ( -0.016 4.093 -3.325) 5.273 2.964 ( 1.175 -3.554 -0.140) 3.746 3.036 ( 4.116 -3.728 0.038) 5.553 3.096 ( -0.075 1.001 1.374) 1.702 3.136 ( -1.305 -0.256 2.592) 2.913 3.217 ( -0.510 -0.065 0.998) 1.123 3.261 ( 1.808 0.741 -0.186) 1.963 3.295 ( 1.897 -0.456 -2.178) 2.924 3.405 ( -0.886 -3.049 1.574) 3.544 3.510 ( -0.290 0.207 0.086) 0.367 3.557 ( -0.142 -1.701 -0.797) 1.884 3.644 ( 0.372 -2.656 -3.734) 4.597 3.692 ( -1.095 -3.251 1.689) 3.824 3.795 ( -1.711 -0.830 -1.012) 2.154 3.818 ( -2.092 -0.475 -1.990) 2.926 3.943 ( 0.289 0.011 1.250) 1.283 3.970 ( -0.546 0.841 0.955) 1.385 4.022 ( 0.326 -0.590 0.383) 0.775 4.037 ( -0.569 -1.722 -1.789) 2.548 4.226 ( -1.614 4.478 1.248) 4.921 4.350 ( -2.588 -1.497 4.706) 5.576 4.439 ( 3.331 -1.476 -1.557) 3.962 4.482 ( 0.184 -0.090 -3.417) 3.424 4.540 ( 1.042 2.992 1.680) 3.587 4.656 ( -2.096 1.714 -1.485) 3.088 4.709 ( 0.174 -2.599 0.500) 2.652 4.764 ( 1.216 -0.304 2.828) 3.094 4.836 ( 0.276 -0.721 -1.775) 1.936 4.907 ( 3.839 -1.147 -1.860) 4.417 4.932 ( -1.004 2.422 2.302) 3.489 4.963 ( 2.083 2.108 0.279) 2.977 5.032 ( 0.727 -0.096 0.269) 0.781 5.058 ( 1.488 -0.550 0.677) 1.725 5.290 ( -0.006 1.116 -0.646) 1.289 5.369 ( 0.296 -0.729 -0.586) 0.982 6.247 ( 0.048 -0.584 0.269) 0.645 6.284 ( 0.221 -1.017 -0.298) 1.082 6.293 ( 1.070 -0.393 0.173) 1.153 6.314 ( 0.598 0.201 -1.432) 1.565 6.712 ( 0.648 0.788 0.178) 1.036 6.714 ( 0.563 1.031 -0.350) 1.226 6.742 ( 0.422 0.939 -0.368) 1.093 6.756 ( 1.441 0.271 -0.195) 1.479 7.165 ( 1.098 0.965 0.679) 1.612 7.205 ( -0.018 -0.008 -1.091) 1.091 7.293 ( -0.766 -0.819 2.671) 2.897 7.349 ( -1.038 -1.272 -0.719) 1.792 7.407 ( -0.895 1.050 -0.059) 1.381 7.434 ( 0.147 0.379 0.053) 0.410 7.541 ( -1.656 -3.326 3.667) 5.221 7.573 ( -2.769 -2.479 -0.713) 3.784 7.903 ( 0.650 1.938 -0.326) 2.070 7.920 ( -0.470 1.894 -0.755) 2.093 8.033 ( 1.613 1.197 1.478) 2.494 8.052 ( 3.175 0.495 -0.840) 3.322 8.167 ( -0.611 -2.675 0.224) 2.753 8.215 ( 1.326 -2.146 -1.083) 2.745 8.329 ( -1.717 2.461 0.982) 3.157 8.341 ( -1.412 2.241 0.221) 2.657 8.350 ( -0.248 2.018 1.119) 2.321 8.399 ( -0.892 0.316 -2.275) 2.464 8.453 ( 1.526 1.752 -0.535) 2.384 8.530 ( 3.557 4.460 -3.913) 6.918 8.577 ( -0.373 1.087 0.591) 1.292 8.651 ( -0.114 -1.552 -0.338) 1.593 8.665 ( -1.734 -0.057 -1.298) 2.167 8.704 ( -1.449 0.895 -0.480) 1.769 8.715 ( 0.471 1.072 0.097) 1.175 8.740 ( -0.300 0.124 2.238) 2.262 8.760 ( 0.199 -0.091 -0.046) 0.224 8.783 ( -1.143 2.007 0.584) 2.383 8.847 ( -1.041 0.030 -0.716) 1.263 8.887 ( -0.779 0.672 -0.616) 1.199 8.914 ( -0.050 -0.445 -0.851) 0.962 8.943 ( 1.263 0.507 0.254) 1.384 8.991 ( 0.302 -1.639 0.875) 1.882 9.011 ( -0.462 -2.320 -0.554) 2.429 9.151 ( -1.367 -3.810 1.073) 4.187 9.168 ( -1.170 -2.898 -1.105) 3.315 9.233 ( -0.512 -2.827 -0.872) 3.002 9.256 ( -0.731 -2.900 0.556) 3.042 9.303 ( 0.197 0.646 -0.401) 0.785 9.339 ( -0.364 -0.372 -0.868) 1.012 9.541 ( 0.761 -1.018 3.609) 3.827 9.603 ( -1.971 -0.521 3.800) 4.312 9.626 ( -0.826 -0.280 -0.729) 1.137 9.743 ( 0.480 -1.072 1.425) 1.846 9.765 ( 0.742 0.786 -0.832) 1.364 9.804 ( 0.142 1.836 -1.673) 2.488 9.860 ( -0.249 -1.067 -0.241) 1.122 9.903 ( 0.019 0.993 -1.323) 1.654 9.983 ( 0.898 0.728 0.743) 1.374 10.012 ( 0.847 0.322 0.540) 1.055 10.042 ( 0.407 -0.664 -1.045) 1.303 10.075 ( 1.089 -1.211 -1.066) 1.947 10.120 ( 0.146 1.176 -0.558) 1.310 10.146 ( -0.087 1.184 -0.571) 1.317 10.181 ( 0.169 1.179 0.066) 1.193 10.220 ( 0.795 0.453 1.247) 1.547 10.398 ( -1.204 1.065 0.528) 1.692 10.456 ( -1.520 0.597 0.028) 1.633 10.490 ( -0.569 -0.966 -0.150) 1.131 10.508 ( -0.722 -1.254 -0.247) 1.468 10.634 ( 0.518 1.672 0.183) 1.760 10.647 ( 0.205 2.169 -0.314) 2.201 10.749 ( 0.541 -1.093 -0.206) 1.237 10.761 ( 0.112 -0.467 0.078) 0.487 ======================= Grid point 44 (22/45) ======================= q-point: ( 0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.664 ( 5.124 6.206 1.200) 8.137 0.767 ( 3.375 4.190 7.443) 9.184 0.898 ( 1.490 0.710 1.257) 2.074 0.909 ( -0.179 1.052 1.102) 1.534 0.942 ( 4.165 -3.109 3.869) 6.480 1.044 ( 1.562 0.713 0.210) 1.730 1.068 ( 0.276 -5.160 -6.245) 8.106 1.124 ( 3.949 -5.148 -5.799) 8.702 1.204 ( -2.462 -0.451 1.962) 3.181 1.249 ( 2.092 -0.016 3.580) 4.147 1.261 ( 3.078 -2.648 -0.485) 4.090 1.328 ( 1.465 -3.367 0.174) 3.676 1.346 ( -0.296 -0.640 -2.596) 2.690 1.384 ( -2.260 -3.777 0.659) 4.450 1.387 ( -0.552 -2.581 -0.243) 2.651 1.440 ( -1.224 -1.913 2.499) 3.377 1.492 ( 3.636 -2.467 1.394) 4.610 1.499 ( 0.841 -2.757 0.755) 2.979 1.539 ( -1.998 -1.685 1.140) 2.851 1.547 ( -1.570 -0.665 1.656) 2.377 1.574 ( 0.359 -1.056 0.726) 1.331 1.605 ( 1.833 -4.985 -0.286) 5.319 1.612 ( -0.374 0.429 2.397) 2.464 1.641 ( -1.503 0.654 -0.664) 1.769 1.662 ( 2.039 -0.558 2.071) 2.959 1.679 ( 2.282 0.566 -1.007) 2.558 1.707 ( 0.260 -2.353 -0.189) 2.375 1.727 ( 1.935 -1.744 1.387) 2.951 1.755 ( -1.262 -2.482 -2.062) 3.465 1.791 ( 0.197 0.707 1.174) 1.384 1.818 ( 0.482 2.557 -0.010) 2.602 1.853 ( -0.637 3.427 1.114) 3.660 1.859 ( 0.197 -1.429 0.664) 1.588 1.897 ( -0.317 1.903 -1.713) 2.580 1.916 ( -1.861 -1.150 0.357) 2.217 1.942 ( 1.812 1.910 0.316) 2.652 1.960 ( -0.754 1.576 -0.410) 1.794 1.974 ( -0.722 1.815 2.156) 2.909 2.003 ( 0.980 0.674 1.593) 1.988 2.075 ( -1.462 0.888 2.354) 2.910 2.084 ( -3.106 -1.417 0.239) 3.422 2.105 ( -0.548 -0.801 -0.269) 1.008 2.153 ( -0.599 4.760 -1.750) 5.107 2.169 ( 1.018 2.493 0.064) 2.694 2.209 ( -1.994 1.554 -0.974) 2.709 2.254 ( -0.792 2.054 0.632) 2.290 2.318 ( -0.198 -1.426 0.943) 1.721 2.326 ( 0.643 1.058 -0.154) 1.247 2.383 ( 0.158 0.361 -2.574) 2.604 2.417 ( 2.916 -0.426 0.653) 3.019 2.457 ( 1.382 1.903 -0.578) 2.422 2.481 ( -0.809 0.949 -0.002) 1.247 2.521 ( 0.893 1.319 -0.139) 1.599 2.557 ( 2.886 1.311 -2.105) 3.805 2.601 ( -0.373 1.466 -1.963) 2.478 2.617 ( 0.775 1.306 0.009) 1.519 2.692 ( -0.814 0.001 -1.359) 1.584 2.701 ( 0.499 1.072 1.112) 1.624 2.788 ( 1.586 -0.600 -2.286) 2.846 2.827 ( 0.353 2.619 -2.193) 3.434 2.861 ( 1.004 4.701 -3.338) 5.852 2.902 ( 0.918 3.275 -2.297) 4.105 2.974 ( -0.221 -1.830 3.033) 3.549 3.065 ( -2.345 -1.299 2.927) 3.969 3.114 ( 2.597 -2.345 -0.810) 3.592 3.135 ( 1.564 2.813 0.947) 3.354 3.219 ( 0.452 0.226 1.717) 1.790 3.275 ( -0.044 1.733 -0.925) 1.965 3.329 ( 1.266 0.723 1.344) 1.983 3.415 ( 1.626 -2.993 -0.991) 3.548 3.498 ( -1.175 -0.669 -2.296) 2.665 3.559 ( 0.004 -2.168 -1.824) 2.834 3.630 ( -2.319 -2.964 -0.036) 3.763 3.687 ( 0.559 -3.122 -1.093) 3.354 3.737 ( -3.340 -1.423 -1.221) 3.831 3.779 ( -1.198 -2.146 -0.242) 2.469 3.943 ( -1.797 1.927 2.498) 3.631 3.961 ( 1.021 0.834 0.221) 1.336 4.017 ( -0.638 -0.955 -0.607) 1.299 4.033 ( -0.065 -0.722 -0.241) 0.764 4.219 ( 0.939 0.899 2.034) 2.414 4.299 ( -2.894 -0.866 5.294) 6.095 4.457 ( -0.391 -1.854 -3.164) 3.688 4.474 ( -2.201 -1.697 -4.518) 5.304 4.567 ( 2.266 2.589 1.571) 3.783 4.649 ( 0.777 3.301 -1.543) 3.726 4.703 ( -0.657 -2.968 0.735) 3.127 4.774 ( 0.282 -0.519 2.047) 2.131 4.867 ( 2.165 1.500 -1.262) 2.921 4.918 ( -0.136 2.214 2.405) 3.272 4.969 ( -0.007 1.339 0.376) 1.391 4.991 ( 2.751 -1.200 0.128) 3.005 5.058 ( 1.761 0.489 0.101) 1.831 5.092 ( 2.179 0.902 -0.183) 2.365 5.306 ( 1.621 0.735 -1.686) 2.451 5.366 ( -0.743 -0.795 0.547) 1.218 6.249 ( 0.076 -0.328 0.450) 0.562 6.288 ( 0.239 -1.100 -0.792) 1.376 6.311 ( 0.772 -0.035 0.491) 0.916 6.326 ( 0.561 -0.054 -0.487) 0.745 6.722 ( 0.542 -0.050 -0.032) 0.545 6.736 ( 1.418 0.566 0.238) 1.545 6.749 ( 0.170 0.612 -0.422) 0.763 6.780 ( 1.059 0.154 -0.247) 1.098 7.195 ( 1.910 0.644 0.517) 2.081 7.209 ( 0.457 0.068 -0.484) 0.669 7.279 ( -0.662 -0.519 1.484) 1.706 7.321 ( -1.812 -1.099 -0.576) 2.196 7.396 ( -0.150 1.022 0.063) 1.035 7.433 ( -0.115 0.093 -0.087) 0.172 7.505 ( -2.014 -1.609 1.971) 3.245 7.520 ( -2.522 -1.245 -0.738) 2.907 7.880 ( -1.726 2.636 1.285) 3.403 7.926 ( 0.083 1.037 -2.545) 2.749 8.050 ( 0.206 -0.094 1.407) 1.426 8.101 ( 1.228 -1.820 -0.643) 2.288 8.174 ( 1.656 -0.039 0.150) 1.663 8.237 ( 0.841 1.066 -0.419) 1.421 8.288 ( -1.407 2.261 1.957) 3.305 8.335 ( 0.943 -0.506 -0.216) 1.092 8.358 ( -0.117 2.046 0.680) 2.159 8.395 ( 0.414 0.540 -2.942) 3.019 8.498 ( 2.679 -0.016 0.005) 2.679 8.552 ( -1.440 1.642 1.378) 2.583 8.613 ( 3.401 1.054 -2.339) 4.260 8.621 ( -1.384 -0.642 -0.370) 1.570 8.651 ( -1.343 -0.131 -0.739) 1.539 8.660 ( -1.171 1.442 -0.437) 1.909 8.731 ( -1.081 1.562 1.392) 2.354 8.732 ( 1.054 -0.003 0.496) 1.165 8.756 ( -1.589 2.225 1.121) 2.955 8.775 ( 1.282 -0.783 -0.159) 1.511 8.818 ( -1.597 0.642 -1.053) 2.018 8.884 ( 0.223 0.252 -0.890) 0.952 8.911 ( -0.071 -1.708 -0.241) 1.727 8.961 ( -0.299 -0.172 0.614) 0.704 8.994 ( 0.743 -2.065 -0.728) 2.312 9.005 ( -0.047 -2.339 1.027) 2.555 9.118 ( -2.402 -3.741 -0.075) 4.446 9.133 ( -2.345 -3.007 -0.399) 3.834 9.225 ( 0.164 -1.970 -0.801) 2.133 9.244 ( -0.599 -2.002 1.040) 2.334 9.301 ( -0.341 0.984 -1.031) 1.465 9.331 ( -0.379 -0.010 -1.399) 1.449 9.544 ( -0.458 -0.002 4.870) 4.892 9.582 ( 0.030 0.260 1.996) 2.013 9.616 ( -0.190 0.953 -1.403) 1.706 9.732 ( -1.071 -2.216 0.792) 2.586 9.783 ( 0.436 0.686 -1.508) 1.713 9.822 ( 1.475 0.295 -0.692) 1.656 9.858 ( 0.314 -0.811 -0.106) 0.877 9.898 ( -0.617 0.397 -0.684) 1.003 10.005 ( 1.281 0.928 0.595) 1.690 10.030 ( 0.888 0.397 0.239) 1.001 10.059 ( 1.144 0.004 -0.300) 1.182 10.096 ( 1.059 -0.819 -0.533) 1.441 10.125 ( 0.372 0.793 -0.182) 0.895 10.153 ( 0.878 0.378 -0.931) 1.335 10.188 ( 0.476 1.306 -0.498) 1.476 10.224 ( -0.504 0.127 1.419) 1.512 10.378 ( -0.731 1.309 -0.133) 1.505 10.421 ( -1.982 0.688 0.284) 2.117 10.470 ( -1.387 -0.807 0.694) 1.749 10.493 ( -0.721 -1.359 -0.891) 1.778 10.641 ( 0.285 2.108 0.150) 2.133 10.651 ( 0.162 2.037 -0.242) 2.058 10.763 ( 0.342 -0.803 0.260) 0.911 10.765 ( 0.685 -0.885 -0.254) 1.148 ======================= Grid point 45 (23/45) ======================= q-point: ( 0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( 2.660 4.671 -0.855) 5.443 0.762 ( -2.241 3.303 3.195) 5.113 0.897 ( 0.162 2.316 1.611) 2.826 0.938 ( 1.495 0.627 0.987) 1.897 1.014 ( 0.103 -3.074 2.886) 4.217 1.072 ( 2.742 -3.749 -1.364) 4.841 1.096 ( 2.666 -0.663 1.137) 2.973 1.149 ( -3.093 0.664 2.523) 4.046 1.208 ( 3.038 -3.457 -3.065) 5.530 1.265 ( 0.967 -5.149 0.311) 5.248 1.304 ( -0.772 -2.957 0.987) 3.212 1.318 ( -0.371 -5.919 -1.143) 6.039 1.339 ( -0.359 -4.228 1.925) 4.659 1.397 ( 1.155 0.003 -1.392) 1.808 1.413 ( 0.240 -2.985 -0.259) 3.006 1.431 ( 3.216 -3.728 1.053) 5.035 1.464 ( -3.827 -3.359 -0.723) 5.143 1.505 ( 0.561 -0.239 -0.716) 0.941 1.524 ( -0.674 -2.179 0.448) 2.324 1.555 ( 2.469 -3.765 -0.315) 4.513 1.567 ( -0.850 -1.539 1.664) 2.420 1.597 ( -0.894 -2.423 0.551) 2.641 1.626 ( -1.181 -3.240 0.699) 3.519 1.632 ( -0.255 -3.853 -0.014) 3.862 1.657 ( 1.382 -0.851 0.423) 1.678 1.705 ( -2.102 0.033 0.768) 2.238 1.721 ( 0.282 -3.628 0.579) 3.685 1.746 ( 1.286 -0.142 0.529) 1.398 1.762 ( 0.955 -0.728 2.035) 2.363 1.783 ( -0.578 0.993 0.903) 1.461 1.813 ( -0.683 0.115 0.597) 0.914 1.845 ( 1.332 1.137 -2.132) 2.759 1.858 ( -0.323 0.573 0.609) 0.896 1.898 ( 0.907 2.088 0.402) 2.312 1.922 ( 0.318 -1.950 0.216) 1.988 1.931 ( -0.202 3.295 0.265) 3.312 1.960 ( -0.382 1.290 1.080) 1.725 1.989 ( 0.333 4.220 -0.277) 4.242 2.015 ( -2.786 -0.044 0.457) 2.824 2.037 ( 1.515 0.516 -0.273) 1.623 2.061 ( -0.242 -0.738 1.882) 2.035 2.114 ( 1.304 1.955 0.144) 2.354 2.126 ( -2.476 2.709 -0.851) 3.768 2.147 ( -1.932 2.218 -2.000) 3.557 2.223 ( -0.694 2.611 2.688) 3.811 2.247 ( 3.810 3.831 3.853) 6.636 2.306 ( -1.266 1.807 -0.228) 2.218 2.331 ( -0.826 1.090 -0.035) 1.368 2.378 ( -0.381 2.066 -2.458) 3.234 2.430 ( -1.366 -1.225 -2.598) 3.181 2.466 ( 2.371 0.872 -0.621) 2.602 2.513 ( -0.755 0.589 2.755) 2.917 2.522 ( 2.233 -0.847 -0.646) 2.474 2.605 ( 0.095 1.244 -0.073) 1.249 2.615 ( 1.230 1.314 -2.758) 3.294 2.630 ( 2.452 1.739 -1.144) 3.216 2.686 ( 0.476 0.844 -2.274) 2.472 2.699 ( -2.441 2.127 2.649) 4.183 2.789 ( -1.229 2.537 -2.928) 4.064 2.847 ( 1.074 0.507 -3.295) 3.502 2.899 ( 2.451 2.569 -0.947) 3.675 2.919 ( 0.261 0.930 -1.233) 1.567 2.977 ( 0.086 2.381 3.492) 4.227 3.021 ( 0.071 0.503 -0.446) 0.676 3.136 ( -0.560 -1.939 -1.910) 2.778 3.164 ( 0.505 1.551 -1.500) 2.216 3.232 ( 0.751 0.980 4.957) 5.108 3.275 ( 0.096 1.113 1.847) 2.158 3.342 ( 0.081 -0.789 -0.656) 1.029 3.453 ( 2.483 -0.287 -0.868) 2.646 3.474 ( -0.321 0.798 -4.722) 4.800 3.527 ( -3.026 -4.850 -0.080) 5.717 3.598 ( -0.459 -0.630 -0.567) 0.964 3.668 ( -2.718 -0.265 -1.460) 3.096 3.711 ( 0.366 -0.910 1.113) 1.483 3.783 ( 1.497 -3.286 -2.791) 4.564 3.917 ( -0.479 -0.137 2.865) 2.908 3.980 ( 0.814 1.065 0.388) 1.396 4.006 ( -0.465 -0.571 -1.047) 1.280 4.031 ( -0.148 -0.888 0.127) 0.909 4.213 ( -3.670 -2.209 8.310) 9.349 4.268 ( 1.228 -3.144 1.309) 3.620 4.435 ( -0.236 -0.776 -4.642) 4.712 4.447 ( -1.029 -0.469 -5.228) 5.349 4.608 ( 1.464 2.390 1.435) 3.149 4.658 ( -0.008 3.162 -0.831) 3.269 4.695 ( 0.237 -1.680 1.515) 2.275 4.784 ( 0.711 0.481 -1.631) 1.844 4.884 ( -0.650 1.363 3.316) 3.643 4.917 ( -1.334 0.226 3.895) 4.123 4.949 ( 0.329 2.713 -0.463) 2.772 5.060 ( 3.239 -1.405 -1.545) 3.854 5.080 ( 0.572 0.101 -0.523) 0.781 5.128 ( 1.167 0.944 -1.087) 1.853 5.333 ( -1.201 0.116 0.878) 1.492 5.347 ( 0.949 0.508 -0.842) 1.367 6.250 ( 0.120 -0.178 0.602) 0.639 6.292 ( 0.117 -0.943 -1.099) 1.452 6.320 ( 0.190 -0.069 0.505) 0.544 6.333 ( 0.151 -0.080 0.000) 0.171 6.731 ( 0.237 -0.202 0.164) 0.352 6.748 ( -0.159 0.050 -0.528) 0.554 6.760 ( 0.980 0.256 0.511) 1.134 6.793 ( 0.260 0.041 -0.439) 0.512 7.221 ( 0.822 0.112 0.069) 0.833 7.233 ( 1.716 0.294 0.237) 1.757 7.266 ( -0.601 -0.700 0.419) 1.013 7.285 ( -1.742 -0.605 -0.181) 1.853 7.402 ( 0.678 0.613 0.307) 0.964 7.430 ( -0.241 -0.317 -0.240) 0.465 7.471 ( -1.241 -0.796 0.699) 1.632 7.483 ( -1.180 -0.481 -0.284) 1.305 7.855 ( -0.799 2.656 1.087) 2.979 7.921 ( -0.357 1.722 -2.221) 2.832 8.050 ( 0.030 -1.123 1.647) 1.994 8.108 ( -0.039 -1.875 -0.875) 2.069 8.212 ( 1.652 1.234 0.152) 2.067 8.241 ( -0.354 0.799 -0.161) 0.888 8.288 ( 1.264 0.776 1.364) 2.015 8.340 ( -1.790 1.127 0.712) 2.232 8.359 ( 1.013 0.163 -0.319) 1.074 8.407 ( 0.770 1.634 -2.554) 3.128 8.521 ( 0.034 0.926 -0.416) 1.016 8.522 ( -1.241 -0.338 0.220) 1.305 8.604 ( -1.781 1.911 0.967) 2.785 8.634 ( 2.586 0.230 1.412) 2.956 8.653 ( 0.440 0.462 -0.899) 1.103 8.688 ( -0.247 1.269 0.512) 1.390 8.699 ( 0.139 1.187 0.249) 1.220 8.727 ( -0.843 1.311 1.008) 1.856 8.759 ( 1.163 -0.297 -0.986) 1.553 8.793 ( -0.860 -0.079 -1.506) 1.736 8.805 ( 1.877 -1.037 0.032) 2.145 8.881 ( -0.811 0.068 -0.854) 1.180 8.910 ( -0.214 -2.308 0.328) 2.341 8.939 ( -1.519 -1.975 0.199) 2.499 9.015 ( 0.886 -1.462 0.235) 1.725 9.017 ( 1.387 -1.409 0.267) 1.995 9.059 ( -2.672 -2.957 -0.690) 4.045 9.096 ( -1.544 -3.731 0.162) 4.041 9.231 ( 0.129 -1.948 0.597) 2.041 9.238 ( 0.109 -0.196 0.221) 0.315 9.296 ( 0.126 0.874 -1.856) 2.056 9.323 ( -0.539 0.037 -1.946) 2.019 9.530 ( -0.933 0.022 3.482) 3.605 9.595 ( 1.020 1.646 2.497) 3.160 9.618 ( 0.409 0.843 -1.287) 1.592 9.707 ( -1.425 -1.904 0.271) 2.394 9.791 ( 0.544 -0.283 -1.280) 1.419 9.835 ( -0.097 -1.331 -1.153) 1.763 9.878 ( 1.478 0.326 0.185) 1.525 9.883 ( -0.927 -0.148 0.190) 0.957 10.024 ( 0.516 1.147 0.672) 1.427 10.044 ( 0.497 0.293 0.074) 0.582 10.077 ( 0.589 -0.124 0.187) 0.630 10.111 ( 0.315 -0.586 -0.680) 0.951 10.134 ( 0.506 0.311 0.281) 0.657 10.169 ( 0.337 -0.610 -0.462) 0.836 10.200 ( 0.351 1.356 -0.249) 1.423 10.207 ( -0.419 0.879 0.077) 0.976 10.373 ( 0.115 1.286 -0.105) 1.295 10.388 ( -1.187 1.084 0.085) 1.610 10.444 ( -1.195 -1.009 1.229) 1.989 10.484 ( -0.118 -1.231 -1.068) 1.634 10.645 ( 0.121 2.332 0.095) 2.337 10.653 ( 0.074 2.072 -0.215) 2.085 10.764 ( -0.128 -0.731 0.586) 0.945 10.779 ( 0.593 -1.095 -0.525) 1.351 ======================= Grid point 46 (24/45) ======================= q-point: (-0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( -0.167 3.263 1.825) 3.742 0.785 ( 2.803 3.199 0.024) 4.253 0.892 ( -1.355 2.563 2.790) 4.024 0.925 ( -2.745 0.393 1.081) 2.977 0.953 ( -4.592 -1.933 0.096) 4.983 1.078 ( -4.194 2.197 1.423) 4.944 1.113 ( 1.522 -4.023 -1.390) 4.520 1.193 ( 4.840 -1.039 5.147) 7.141 1.236 ( -0.866 -3.912 -1.837) 4.408 1.257 ( -0.920 -5.568 -0.500) 5.666 1.280 ( -0.780 -3.564 1.529) 3.956 1.327 ( 0.015 -2.383 -2.767) 3.652 1.333 ( -0.822 -4.226 2.571) 5.015 1.371 ( -3.329 -4.504 -1.569) 5.816 1.397 ( -1.849 -4.360 -0.046) 4.736 1.407 ( 0.569 -2.195 -0.748) 2.388 1.487 ( -1.556 -1.331 -1.012) 2.284 1.504 ( 1.542 -1.744 -0.470) 2.375 1.527 ( 1.051 -0.666 0.499) 1.340 1.561 ( 0.165 -4.700 0.938) 4.795 1.589 ( 0.025 -2.355 0.894) 2.519 1.600 ( 2.214 -2.237 1.250) 3.386 1.616 ( 0.404 -2.664 -0.076) 2.696 1.657 ( -0.037 -1.008 1.322) 1.663 1.668 ( 1.817 -2.906 0.292) 3.440 1.680 ( 1.332 -0.443 1.327) 1.931 1.729 ( -1.500 -1.369 1.041) 2.283 1.744 ( -0.099 -1.049 0.990) 1.446 1.752 ( -1.041 -1.014 0.107) 1.457 1.786 ( -0.409 0.027 -0.521) 0.663 1.803 ( 0.571 -1.350 0.937) 1.740 1.854 ( -0.975 1.466 -0.967) 2.008 1.887 ( 0.196 0.150 -0.059) 0.254 1.904 ( 2.058 4.849 1.503) 5.478 1.917 ( -0.703 0.525 -2.404) 2.559 1.935 ( -0.105 2.020 0.870) 2.201 1.966 ( -0.513 1.353 0.519) 1.537 1.974 ( 1.198 -1.574 -0.522) 2.046 2.003 ( 0.085 2.345 1.893) 3.015 2.048 ( -2.069 0.732 0.049) 2.195 2.057 ( 0.173 -0.185 1.764) 1.782 2.088 ( 1.830 3.676 1.672) 4.434 2.125 ( 0.992 4.297 -0.709) 4.467 2.168 ( 1.204 -0.726 -1.796) 2.281 2.206 ( 0.322 0.907 0.933) 1.340 2.262 ( -2.928 1.326 2.344) 3.978 2.294 ( -1.849 2.672 0.283) 3.262 2.329 ( 2.712 4.428 2.258) 5.662 2.356 ( -1.897 2.401 -1.154) 3.270 2.433 ( 1.274 -0.766 -4.094) 4.356 2.479 ( -1.553 -0.002 0.370) 1.596 2.515 ( -0.342 -0.409 -0.364) 0.646 2.531 ( -0.668 -0.057 -2.134) 2.236 2.587 ( -4.562 4.236 2.335) 6.649 2.609 ( -0.011 0.307 -1.131) 1.172 2.663 ( 3.308 0.413 -3.185) 4.610 2.690 ( 0.632 3.914 2.059) 4.468 2.695 ( 0.965 0.258 -1.974) 2.213 2.764 ( -0.725 1.652 -2.454) 3.046 2.837 ( -2.316 0.621 -3.589) 4.316 2.890 ( -0.815 0.748 -0.299) 1.146 2.935 ( -1.424 1.855 0.227) 2.350 2.975 ( 0.737 1.754 4.206) 4.616 3.062 ( 0.851 0.367 -0.975) 1.345 3.115 ( -0.002 -0.402 -3.343) 3.367 3.148 ( -1.607 0.587 -0.964) 1.964 3.231 ( -0.868 1.122 3.011) 3.329 3.264 ( -0.856 0.685 1.873) 2.170 3.346 ( -0.202 -1.728 -0.110) 1.743 3.465 ( -0.519 -4.791 -0.367) 4.833 3.507 ( 3.347 -0.173 -1.699) 3.757 3.547 ( 4.743 1.487 -4.678) 6.826 3.570 ( -2.127 1.317 0.977) 2.686 3.637 ( -0.255 -0.528 -0.654) 0.879 3.725 ( 0.900 -0.974 1.504) 2.005 3.814 ( 1.370 -2.537 -4.610) 5.437 3.916 ( 0.112 -0.757 3.288) 3.375 3.988 ( -0.952 -0.353 0.745) 1.259 3.994 ( -0.947 -0.855 -1.405) 1.898 4.028 ( 0.627 -1.664 -0.434) 1.830 4.151 ( -1.543 -0.501 7.753) 7.921 4.288 ( 0.498 -2.811 2.237) 3.627 4.427 ( -0.513 -1.467 -4.257) 4.532 4.472 ( 3.448 -0.783 -4.565) 5.774 4.612 ( -0.880 0.799 1.343) 1.794 4.657 ( 0.040 4.274 -1.468) 4.519 4.707 ( 0.327 -0.076 1.491) 1.529 4.806 ( 1.779 0.342 -2.438) 3.037 4.856 ( -1.953 0.690 2.965) 3.617 4.875 ( -2.405 -0.184 4.703) 5.286 4.971 ( 1.180 3.031 -1.052) 3.418 5.062 ( -1.711 -0.135 1.393) 2.210 5.108 ( 0.408 -1.309 -2.091) 2.500 5.129 ( -1.119 0.761 -1.054) 1.715 5.297 ( -1.139 1.017 0.302) 1.557 5.367 ( 0.275 -0.039 -0.192) 0.338 6.254 ( 0.278 -0.175 0.685) 0.760 6.293 ( -0.009 -0.785 -1.239) 1.467 6.317 ( -0.533 0.020 0.356) 0.642 6.331 ( -0.310 -0.381 0.207) 0.533 6.728 ( -0.460 -0.074 0.122) 0.481 6.746 ( -0.156 0.034 -0.302) 0.342 6.770 ( 0.070 0.175 0.592) 0.622 6.788 ( -0.801 0.021 -0.705) 1.068 7.225 ( -1.532 0.003 -0.022) 1.532 7.238 ( 0.192 0.492 0.315) 0.615 7.258 ( -0.534 -0.686 0.373) 0.946 7.287 ( 1.892 -0.700 -0.120) 2.020 7.411 ( -0.021 0.391 0.546) 0.672 7.424 ( -0.307 -0.140 -0.468) 0.577 7.461 ( 0.128 -0.341 0.421) 0.557 7.489 ( 1.864 -0.744 -0.018) 2.007 7.850 ( 0.169 2.604 0.929) 2.770 7.920 ( 0.414 2.110 -1.991) 2.931 8.054 ( 0.261 -1.902 1.637) 2.524 8.107 ( -0.098 -1.517 -0.929) 1.782 8.212 ( -1.229 1.014 0.034) 1.594 8.246 ( 0.463 0.854 0.106) 0.977 8.291 ( -2.786 0.591 1.188) 3.085 8.319 ( 1.327 1.822 0.431) 2.295 8.371 ( 0.506 -0.474 -0.661) 0.958 8.416 ( -0.166 1.997 -1.820) 2.707 8.508 ( -0.418 0.178 -0.043) 0.456 8.539 ( 1.641 -0.747 -0.561) 1.888 8.587 ( 0.279 2.069 1.347) 2.484 8.628 ( -2.496 1.482 0.738) 2.995 8.657 ( 0.422 -0.006 -1.030) 1.113 8.688 ( 0.762 1.043 1.308) 1.838 8.709 ( 0.340 1.705 1.514) 2.305 8.730 ( -0.369 0.299 -0.397) 0.619 8.760 ( -0.181 0.514 -0.434) 0.697 8.793 ( 0.686 0.792 -2.065) 2.315 8.838 ( -0.051 -1.123 -0.032) 1.124 8.863 ( 0.297 -2.059 -0.708) 2.197 8.903 ( -0.180 -0.401 0.272) 0.517 8.928 ( 0.682 -2.615 0.138) 2.706 8.994 ( -2.085 -0.868 0.319) 2.281 9.022 ( -0.240 -1.218 0.225) 1.261 9.079 ( 0.312 -3.768 -0.752) 3.854 9.091 ( 3.559 -4.035 0.334) 5.391 9.228 ( -0.437 -1.417 0.269) 1.507 9.247 ( 0.854 0.495 0.558) 1.134 9.308 ( 0.225 -0.272 -1.773) 1.808 9.310 ( -0.008 0.314 -2.141) 2.164 9.511 ( -1.011 0.564 3.016) 3.230 9.615 ( 0.999 1.773 3.355) 3.924 9.624 ( -0.087 0.690 -0.564) 0.895 9.688 ( -0.249 -1.568 -1.054) 1.906 9.804 ( 0.678 -0.601 -0.758) 1.181 9.827 ( -0.608 -1.917 -1.687) 2.625 9.862 ( -1.219 -0.608 0.695) 1.529 9.904 ( 1.113 0.718 -0.022) 1.325 10.024 ( -0.497 1.214 0.586) 1.437 10.045 ( -0.500 0.347 0.247) 0.657 10.080 ( -0.210 -0.030 0.383) 0.438 10.106 ( -0.684 -0.821 -1.244) 1.639 10.140 ( 0.030 -0.256 0.605) 0.658 10.162 ( -0.607 1.050 0.151) 1.222 10.185 ( -0.908 1.364 -0.944) 1.891 10.226 ( 0.818 0.094 0.136) 0.834 10.375 ( 0.607 0.850 -0.240) 1.072 10.389 ( 0.892 1.600 0.095) 1.834 10.432 ( 0.056 -1.247 1.073) 1.646 10.489 ( 0.553 -1.258 -0.806) 1.593 10.646 ( -0.103 2.420 0.089) 2.424 10.654 ( -0.044 2.119 -0.210) 2.130 10.759 ( -0.392 -0.692 0.364) 0.875 10.785 ( -0.038 -1.180 -0.302) 1.218 ======================= Grid point 47 (25/45) ======================= q-point: (-0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.707 ( -7.114 1.180 8.167) 10.895 0.799 ( -0.414 0.778 -2.774) 2.911 0.809 ( -7.411 1.676 4.271) 8.716 0.876 ( 1.253 3.918 1.609) 4.417 0.943 ( 2.507 0.398 1.105) 2.768 0.998 ( -2.768 1.149 -2.140) 3.682 1.125 ( -5.385 -3.505 -2.152) 6.776 1.148 ( 0.230 -0.920 -3.418) 3.547 1.191 ( -5.346 -5.747 -1.050) 7.919 1.248 ( -1.197 -3.302 2.555) 4.343 1.284 ( 1.013 -1.540 2.631) 3.212 1.301 ( -1.362 -2.890 0.780) 3.289 1.331 ( -0.237 -2.724 -2.297) 3.571 1.366 ( 2.629 -1.781 1.568) 3.542 1.429 ( 2.586 -2.535 0.247) 3.630 1.431 ( 1.545 -4.958 -0.529) 5.220 1.456 ( 0.409 0.784 -0.071) 0.887 1.503 ( -1.172 -2.523 2.056) 3.459 1.534 ( -1.252 -1.282 1.984) 2.673 1.559 ( -1.987 -1.414 0.052) 2.439 1.578 ( -0.792 -3.104 1.806) 3.677 1.597 ( -0.492 -0.018 1.436) 1.518 1.632 ( -1.135 -0.834 -0.281) 1.436 1.665 ( 0.562 1.958 0.409) 2.078 1.688 ( -1.052 -2.778 1.407) 3.287 1.709 ( 0.415 -0.921 0.136) 1.019 1.725 ( 1.835 -1.158 -0.518) 2.230 1.733 ( 1.028 -0.759 -0.033) 1.278 1.755 ( 0.735 0.075 0.996) 1.240 1.787 ( 0.763 -0.033 -1.105) 1.344 1.797 ( -1.773 -1.138 3.165) 3.803 1.822 ( -2.039 2.593 -1.760) 3.739 1.875 ( -1.398 1.540 -0.377) 2.113 1.883 ( -1.589 0.678 -3.057) 3.511 1.902 ( -1.333 2.028 0.142) 2.431 1.951 ( 1.382 2.887 0.208) 3.208 1.977 ( 2.636 -0.801 1.934) 3.366 2.008 ( -0.153 0.787 3.211) 3.309 2.014 ( 2.131 -1.371 0.266) 2.547 2.043 ( 0.932 1.104 1.324) 1.960 2.060 ( 0.654 -0.789 4.525) 4.639 2.135 ( -1.170 0.330 -0.838) 1.476 2.141 ( 2.579 4.827 -1.907) 5.795 2.188 ( 2.556 0.710 0.842) 2.783 2.208 ( -0.590 1.683 -1.337) 2.229 2.225 ( -0.028 -1.513 -1.909) 2.436 2.279 ( 0.595 3.089 1.191) 3.363 2.318 ( -2.033 2.175 -1.474) 3.322 2.358 ( 0.340 2.935 0.362) 2.977 2.416 ( -2.923 -0.515 0.430) 2.998 2.463 ( -1.065 0.807 -2.391) 2.739 2.471 ( -1.548 0.106 -1.543) 2.188 2.512 ( -0.666 0.499 1.347) 1.583 2.561 ( 0.220 1.587 -2.945) 3.353 2.614 ( 0.701 2.096 -0.687) 2.315 2.674 ( -1.294 0.763 -0.950) 1.777 2.683 ( -0.953 3.256 1.770) 3.827 2.734 ( 1.795 0.117 -0.047) 1.799 2.768 ( -0.516 -1.455 -2.642) 3.060 2.802 ( -0.285 1.827 -6.654) 6.906 2.877 ( -1.953 0.632 0.043) 2.053 2.887 ( -0.423 -0.636 0.234) 0.799 2.970 ( -1.133 4.917 2.928) 5.834 3.038 ( -2.791 -2.399 1.737) 4.070 3.121 ( -0.273 0.904 -1.173) 1.506 3.133 ( 0.116 -0.253 0.671) 0.726 3.210 ( -0.917 0.773 -0.033) 1.200 3.270 ( 1.280 0.671 -0.767) 1.636 3.316 ( -2.416 -2.378 2.308) 4.101 3.463 ( -0.621 -2.062 -3.127) 3.797 3.536 ( 0.459 -0.124 2.357) 2.404 3.585 ( 1.057 -4.097 1.137) 4.381 3.630 ( 3.421 2.052 -6.784) 7.870 3.653 ( 2.908 -1.689 -0.032) 3.363 3.742 ( 1.008 -0.150 1.003) 1.429 3.824 ( -0.467 -0.249 -3.628) 3.667 3.920 ( 0.459 -1.644 3.342) 3.752 3.944 ( -1.867 -2.831 0.913) 3.512 3.983 ( -0.481 0.021 -0.484) 0.683 4.056 ( 1.563 -0.873 -1.189) 2.149 4.160 ( 2.110 1.785 4.907) 5.632 4.299 ( 0.982 0.558 2.380) 2.634 4.424 ( -0.208 -2.609 -2.611) 3.697 4.538 ( 2.157 -2.723 -3.795) 5.145 4.593 ( -0.418 0.516 1.488) 1.630 4.655 ( -0.062 5.678 -2.143) 6.070 4.705 ( -0.132 -1.609 0.964) 1.880 4.783 ( -3.950 1.260 1.939) 4.577 4.840 ( -1.052 -0.668 3.157) 3.395 4.873 ( 2.830 -0.559 -2.022) 3.523 4.982 ( -0.457 3.059 -0.672) 3.165 5.017 ( -2.409 0.192 1.907) 3.078 5.070 ( -3.501 0.086 0.333) 3.517 5.093 ( -2.489 0.617 -0.446) 2.602 5.305 ( 1.511 0.308 -2.022) 2.543 5.355 ( -1.333 -0.545 0.794) 1.644 6.260 ( 0.236 -0.309 0.735) 0.831 6.288 ( -0.692 -0.669 -0.805) 1.255 6.305 ( -0.449 0.190 -0.453) 0.666 6.320 ( -0.876 -0.839 0.195) 1.229 6.717 ( -0.605 0.181 -0.033) 0.632 6.739 ( -0.598 0.620 0.165) 0.877 6.764 ( -0.898 0.011 -0.406) 0.985 6.767 ( -1.061 0.503 -0.188) 1.189 7.191 ( -1.696 0.448 0.289) 1.777 7.230 ( -0.893 0.332 -1.079) 1.440 7.262 ( 0.805 -0.433 2.216) 2.397 7.325 ( 1.861 -1.176 -0.449) 2.247 7.410 ( 0.100 0.472 0.181) 0.515 7.421 ( 0.036 0.568 -0.224) 0.612 7.473 ( 1.055 -0.411 0.979) 1.497 7.541 ( 3.138 -1.839 0.256) 3.646 7.856 ( 0.321 2.500 0.391) 2.551 7.938 ( 1.356 2.285 -1.544) 3.074 8.053 ( -0.666 -2.373 1.324) 2.798 8.100 ( -0.792 -0.615 -0.661) 1.201 8.180 ( -2.250 -0.223 0.096) 2.263 8.235 ( -0.972 1.157 -0.489) 1.588 8.265 ( 0.596 1.472 1.505) 2.188 8.338 ( 0.239 0.595 0.347) 0.729 8.380 ( 0.234 0.320 0.515) 0.650 8.404 ( -0.427 1.142 -2.630) 2.899 8.478 ( -2.210 1.477 -0.085) 2.659 8.571 ( 1.397 -0.988 1.554) 2.312 8.611 ( 1.201 0.387 -1.391) 1.878 8.625 ( 2.462 0.037 -0.062) 2.463 8.656 ( -2.191 -0.020 -1.429) 2.616 8.677 ( 0.105 1.843 -0.825) 2.022 8.700 ( -0.335 1.249 0.012) 1.293 8.740 ( -0.175 2.515 -0.140) 2.525 8.751 ( 0.542 1.716 1.543) 2.371 8.817 ( 0.581 -0.253 -0.063) 0.637 8.826 ( 0.600 -1.254 -0.172) 1.401 8.876 ( 0.262 -1.554 -0.570) 1.676 8.908 ( 0.389 0.912 -1.107) 1.487 8.942 ( 0.370 -2.073 0.643) 2.202 8.970 ( -0.314 -0.473 0.339) 0.661 9.011 ( -0.788 -1.499 1.112) 2.026 9.105 ( 2.277 -3.791 -0.520) 4.453 9.147 ( 1.627 -4.134 -0.419) 4.462 9.228 ( 0.680 -1.549 0.141) 1.697 9.263 ( 0.417 -0.510 0.227) 0.697 9.294 ( -0.517 -0.376 -1.935) 2.038 9.330 ( 0.959 -0.111 -0.800) 1.254 9.494 ( -0.621 0.756 3.472) 3.607 9.613 ( -0.751 0.247 0.909) 1.205 9.632 ( 0.670 1.570 3.098) 3.538 9.698 ( 0.955 -1.459 -1.654) 2.403 9.812 ( 0.025 0.711 -0.640) 0.957 9.822 ( 0.348 -2.367 -2.031) 3.139 9.838 ( -1.210 -0.781 0.757) 1.627 9.918 ( 0.314 0.695 -0.435) 0.878 10.006 ( -1.338 1.431 0.425) 2.004 10.027 ( -1.183 0.192 0.453) 1.282 10.070 ( -0.781 -0.257 0.179) 0.841 10.090 ( -0.876 -1.028 -1.472) 1.998 10.139 ( 0.076 1.292 0.361) 1.344 10.157 ( -0.290 1.298 -0.001) 1.330 10.167 ( -0.663 0.905 -1.419) 1.809 10.226 ( -0.686 -0.139 1.258) 1.440 10.405 ( 1.994 0.576 -0.901) 2.263 10.407 ( 1.169 1.107 0.901) 1.845 10.446 ( 1.243 -1.028 0.456) 1.676 10.502 ( 0.752 -1.350 -0.482) 1.619 10.642 ( -0.278 2.321 0.121) 2.340 10.651 ( -0.190 2.162 -0.221) 2.182 10.751 ( -0.283 -0.585 0.048) 0.651 10.778 ( -0.695 -1.223 -0.033) 1.407 ======================= Grid point 48 (26/45) ======================= q-point: (-0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( -11.212 2.498 9.964) 15.206 0.619 ( -10.315 7.314 8.954) 15.494 0.816 ( -0.168 0.131 -3.142) 3.150 0.901 ( 0.982 5.044 -1.028) 5.241 0.998 ( 0.769 -1.647 1.149) 2.151 1.000 ( 1.318 -0.448 -1.786) 2.264 1.040 ( -2.419 4.171 0.373) 4.836 1.112 ( 0.628 -1.214 -1.426) 1.975 1.150 ( -3.315 -1.084 -2.749) 4.440 1.203 ( -1.280 -0.155 6.046) 6.182 1.268 ( -0.036 -0.638 -0.663) 0.920 1.305 ( 0.103 -2.261 0.138) 2.267 1.313 ( -1.878 -1.188 -1.735) 2.819 1.406 ( -3.085 -0.174 1.274) 3.343 1.423 ( -0.756 -2.253 0.672) 2.470 1.436 ( 2.523 -1.766 2.224) 3.799 1.476 ( 0.272 -1.546 1.440) 2.131 1.482 ( -1.429 -1.201 1.891) 2.657 1.521 ( -0.033 -2.937 0.936) 3.082 1.544 ( 1.269 0.095 1.130) 1.702 1.555 ( -0.472 -0.672 0.214) 0.848 1.602 ( -2.245 -1.789 -1.812) 3.395 1.605 ( 1.377 -0.422 1.891) 2.378 1.660 ( -2.020 -3.153 -0.804) 3.830 1.683 ( -2.098 -1.575 1.531) 3.037 1.685 ( 1.388 1.749 0.153) 2.238 1.709 ( -2.217 0.629 1.383) 2.687 1.742 ( -0.694 -0.679 0.551) 1.116 1.757 ( 0.465 -2.596 1.862) 3.228 1.788 ( 0.534 -1.029 -3.554) 3.738 1.805 ( 0.977 1.664 -0.870) 2.117 1.823 ( 0.703 1.386 -3.027) 3.402 1.862 ( -0.496 1.256 0.203) 1.366 1.880 ( 1.521 1.604 -0.312) 2.232 1.904 ( 1.268 2.998 0.322) 3.271 1.964 ( -0.412 3.055 2.866) 4.209 1.985 ( -0.646 -0.633 0.783) 1.197 2.023 ( -1.587 -0.288 1.646) 2.305 2.030 ( 1.989 -1.818 -0.359) 2.719 2.059 ( 0.566 1.323 1.651) 2.190 2.086 ( 1.699 -2.373 2.933) 4.138 2.124 ( 0.754 0.004 -0.413) 0.860 2.189 ( -0.870 2.198 -0.689) 2.463 2.206 ( 2.991 2.965 -1.236) 4.390 2.229 ( 1.401 0.849 -3.533) 3.895 2.240 ( 0.913 -1.200 -1.243) 1.954 2.284 ( -0.658 1.852 1.388) 2.406 2.315 ( 2.460 0.569 -2.129) 3.303 2.350 ( -3.665 1.521 1.195) 4.144 2.369 ( 0.275 0.604 0.404) 0.777 2.398 ( -2.062 -1.613 -1.636) 3.087 2.487 ( -0.466 0.299 -1.413) 1.517 2.515 ( 1.475 1.338 1.894) 2.748 2.556 ( -0.739 0.422 -2.293) 2.446 2.618 ( -1.165 2.919 -0.364) 3.163 2.651 ( -1.272 1.245 -1.200) 2.146 2.663 ( -0.135 0.414 0.895) 0.995 2.734 ( -1.443 1.053 -1.469) 2.313 2.751 ( -0.040 -2.117 1.735) 2.738 2.813 ( 0.766 2.989 -6.764) 7.434 2.863 ( 0.028 -1.450 0.627) 1.580 2.893 ( -0.152 -0.304 -1.477) 1.516 2.947 ( -0.367 3.845 0.444) 3.888 2.985 ( -2.329 -1.739 2.017) 3.538 3.106 ( -0.916 0.969 0.382) 1.387 3.144 ( 0.885 -0.994 1.903) 2.322 3.201 ( -0.073 0.464 -1.772) 1.833 3.269 ( -1.817 -0.669 3.048) 3.611 3.290 ( 0.010 -1.407 -1.411) 1.992 3.448 ( -0.652 -0.694 -4.729) 4.824 3.526 ( -1.694 -2.764 5.912) 6.743 3.584 ( 0.102 -2.910 -0.633) 2.980 3.673 ( -0.024 -0.064 -3.098) 3.098 3.705 ( 1.525 -2.818 0.601) 3.260 3.769 ( 1.830 1.030 -2.152) 3.007 3.811 ( 0.059 2.281 -3.116) 3.862 3.929 ( 0.285 -1.799 1.034) 2.095 3.948 ( 2.284 -2.413 3.113) 4.553 3.979 ( -0.069 0.237 -0.894) 0.928 4.074 ( 0.138 -1.518 -1.317) 2.015 4.222 ( 4.081 1.860 2.042) 4.928 4.318 ( 0.435 3.016 2.951) 4.242 4.408 ( -1.244 -2.335 -1.262) 2.931 4.529 ( -1.760 -2.155 -2.100) 3.486 4.595 ( -1.281 3.154 1.666) 3.790 4.660 ( 0.293 0.377 -2.203) 2.254 4.702 ( -0.018 0.854 0.057) 0.856 4.735 ( 0.243 -0.551 2.557) 2.627 4.825 ( -0.531 -0.746 0.420) 1.007 4.884 ( -1.963 0.054 -2.188) 2.940 4.973 ( -1.718 -0.440 2.701) 3.231 4.982 ( 0.495 0.181 -0.028) 0.528 5.023 ( -0.849 1.255 -0.772) 1.701 5.038 ( -2.994 0.967 0.639) 3.210 5.326 ( -1.410 -0.093 0.903) 1.677 5.336 ( 1.338 -0.064 -2.006) 2.412 6.260 ( -0.317 -0.710 0.832) 1.139 6.271 ( -0.715 -0.189 -0.586) 0.944 6.299 ( -0.666 -1.057 -0.414) 1.316 6.303 ( -0.320 0.169 -1.050) 1.111 6.706 ( -0.461 0.883 -0.069) 0.999 6.727 ( -0.459 1.393 0.319) 1.501 6.739 ( -1.332 0.102 -1.110) 1.737 6.752 ( -0.779 0.677 0.112) 1.038 7.165 ( -0.974 0.820 0.622) 1.418 7.214 ( -0.683 0.269 -1.529) 1.696 7.282 ( 1.182 -0.583 3.164) 3.428 7.353 ( 0.982 -1.284 -0.560) 1.711 7.415 ( 0.446 0.561 -0.156) 0.733 7.426 ( 0.312 0.743 0.159) 0.821 7.500 ( 1.911 -1.145 2.535) 3.375 7.594 ( 2.089 -3.050 0.413) 3.720 7.865 ( 0.942 2.733 -0.389) 2.916 7.967 ( 1.392 2.338 -1.154) 2.955 8.008 ( -4.168 -0.971 1.264) 4.462 8.068 ( -2.449 0.981 -0.106) 2.641 8.152 ( 0.057 -2.865 -0.010) 2.865 8.227 ( -0.575 -0.854 -0.988) 1.427 8.293 ( 1.931 1.366 0.801) 2.497 8.326 ( -0.152 -0.211 0.559) 0.617 8.384 ( 0.071 2.678 0.876) 2.818 8.415 ( 1.151 1.926 -1.699) 2.814 8.452 ( -0.579 2.795 -0.839) 2.975 8.575 ( -2.816 2.279 -2.420) 4.356 8.597 ( -0.936 -1.374 -0.681) 1.796 8.638 ( 0.340 -0.417 -2.064) 2.133 8.666 ( 1.368 0.026 -0.710) 1.542 8.682 ( 0.487 0.533 -0.126) 0.733 8.707 ( 0.903 1.580 0.009) 1.820 8.747 ( 1.265 2.757 0.413) 3.061 8.768 ( 0.507 0.823 1.903) 2.135 8.806 ( -0.888 -1.787 0.437) 2.042 8.847 ( 0.346 -0.100 -1.384) 1.430 8.883 ( 0.840 -0.981 -0.365) 1.342 8.914 ( 0.151 1.620 -0.733) 1.784 8.949 ( 0.505 1.353 -0.802) 1.652 8.970 ( -0.060 -1.938 1.060) 2.209 9.002 ( 0.219 -1.891 1.477) 2.409 9.145 ( 1.393 -1.923 -0.514) 2.429 9.167 ( 1.351 -4.862 0.135) 5.048 9.237 ( -0.432 -1.757 -1.082) 2.108 9.264 ( 0.470 -2.437 0.964) 2.662 9.293 ( 0.064 -0.154 -1.542) 1.551 9.343 ( 0.393 -0.490 -0.353) 0.720 9.492 ( 0.555 0.122 4.113) 4.152 9.606 ( 0.225 -0.687 1.433) 1.605 9.639 ( 0.070 1.407 2.503) 2.872 9.714 ( 0.730 -1.413 -0.364) 1.631 9.808 ( -1.206 1.512 -0.341) 1.964 9.814 ( -0.063 -0.230 -0.712) 0.751 9.841 ( 1.044 -1.815 -1.288) 2.458 9.916 ( -0.462 0.807 -0.838) 1.252 9.981 ( -1.021 1.300 0.460) 1.716 10.007 ( -0.737 0.105 0.592) 0.951 10.056 ( -0.652 -1.246 -0.342) 1.448 10.074 ( -0.812 -1.352 -1.650) 2.282 10.136 ( -0.718 1.734 -0.982) 2.118 10.153 ( 0.196 1.135 -0.476) 1.246 10.167 ( 0.625 1.199 0.201) 1.367 10.208 ( -0.964 0.292 1.425) 1.745 10.418 ( 0.284 0.847 1.362) 1.628 10.451 ( 2.075 0.035 -1.543) 2.586 10.471 ( 1.272 -0.569 0.674) 1.548 10.514 ( 0.395 -1.386 -0.300) 1.472 10.635 ( -0.400 1.910 0.145) 1.957 10.647 ( -0.266 2.254 -0.296) 2.288 10.750 ( 0.212 -0.462 -0.267) 0.574 10.761 ( -0.936 -1.176 0.156) 1.512 ======================= Grid point 49 (27/45) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.648 ( 4.424 10.128 -1.949) 11.223 0.736 ( -2.333 12.267 4.052) 13.128 0.799 ( 2.864 -3.808 -6.285) 7.887 0.933 ( -1.306 3.134 -0.320) 3.410 0.956 ( -1.872 -5.843 -1.006) 6.218 0.997 ( 0.039 -2.983 -0.069) 2.984 1.072 ( -1.555 0.081 -0.787) 1.745 1.113 ( -2.467 -0.781 -1.159) 2.836 1.145 ( 2.341 3.104 1.607) 4.206 1.230 ( 3.582 -5.203 0.283) 6.324 1.251 ( -0.994 3.466 2.822) 4.579 1.268 ( -1.020 0.645 -1.046) 1.597 1.289 ( 0.886 1.182 -0.807) 1.683 1.323 ( -1.163 -1.853 2.751) 3.515 1.388 ( 0.520 -4.624 1.029) 4.766 1.415 ( -0.575 -4.292 -1.097) 4.467 1.441 ( 0.700 -0.127 0.317) 0.779 1.478 ( 2.110 -2.964 1.878) 4.094 1.488 ( -0.678 0.331 0.682) 1.017 1.516 ( -0.673 -1.153 -2.461) 2.800 1.529 ( -0.257 2.844 2.253) 3.638 1.539 ( -0.602 0.587 -0.602) 1.034 1.556 ( -2.387 -1.203 -0.875) 2.813 1.612 ( -0.557 -4.101 0.303) 4.150 1.660 ( -0.571 2.028 2.171) 3.025 1.673 ( 2.058 3.486 3.448) 5.317 1.697 ( 1.052 -1.069 1.059) 1.836 1.731 ( -0.172 -0.115 -0.037) 0.210 1.760 ( -1.628 -1.150 1.482) 2.484 1.772 ( -0.113 -2.774 -1.092) 2.984 1.839 ( 0.307 1.317 -1.689) 2.164 1.859 ( 0.820 -0.603 -1.819) 2.084 1.936 ( -0.839 3.116 1.128) 3.418 1.946 ( -1.614 4.141 0.512) 4.474 1.970 ( -1.100 1.424 2.494) 3.075 2.006 ( 0.669 2.655 1.448) 3.098 2.017 ( 0.392 1.517 1.940) 2.494 2.045 ( 0.645 -0.057 1.158) 1.327 2.050 ( 0.618 -0.492 0.632) 1.012 2.068 ( 3.509 5.589 2.287) 6.984 2.080 ( 0.664 -0.221 -0.497) 0.858 2.134 ( -0.230 0.597 -0.199) 0.670 2.141 ( -2.048 -1.700 0.815) 2.783 2.200 ( 1.273 -3.010 2.051) 3.859 2.224 ( 0.248 -1.122 -1.577) 1.951 2.270 ( -2.052 -4.322 -1.710) 5.081 2.314 ( -2.029 1.980 -3.548) 4.541 2.326 ( -0.916 1.216 -2.472) 2.903 2.359 ( 1.230 1.219 -1.430) 2.245 2.373 ( 3.122 -0.315 -3.083) 4.399 2.431 ( -1.230 4.112 1.506) 4.549 2.489 ( 0.474 1.054 1.466) 1.866 2.535 ( 0.224 0.055 2.337) 2.348 2.548 ( -0.730 -3.245 0.939) 3.456 2.610 ( -0.215 1.788 1.256) 2.196 2.666 ( -2.251 -1.516 2.599) 3.757 2.672 ( 0.565 -0.272 2.455) 2.534 2.682 ( -0.003 0.453 -0.441) 0.633 2.779 ( 1.410 2.371 -1.981) 3.396 2.821 ( -0.537 -0.737 -3.658) 3.770 2.843 ( 1.041 -2.738 -1.971) 3.531 2.863 ( 2.744 -3.014 -3.231) 5.201 2.997 ( -0.103 5.106 0.267) 5.114 3.015 ( -0.978 2.892 -0.144) 3.056 3.100 ( -0.115 0.037 1.598) 1.603 3.169 ( 0.358 -2.836 -0.665) 2.935 3.177 ( -0.536 0.779 -0.616) 1.129 3.222 ( 0.075 -1.190 -1.910) 2.252 3.283 ( 0.066 2.308 0.660) 2.401 3.364 ( -0.595 -4.330 -1.238) 4.543 3.497 ( 0.001 0.227 2.241) 2.252 3.530 ( -0.472 -2.161 -0.735) 2.330 3.645 ( -1.478 -0.078 -1.664) 2.227 3.657 ( -0.892 -1.719 1.258) 2.309 3.814 ( -0.339 1.175 -1.151) 1.679 3.836 ( -0.577 -0.600 -2.209) 2.361 3.934 ( 1.011 0.359 1.690) 2.002 3.952 ( 1.208 -1.447 2.063) 2.794 4.001 ( 1.209 1.223 -1.650) 2.383 4.027 ( -0.248 -1.350 -1.528) 2.054 4.323 ( 0.916 2.116 1.058) 2.537 4.355 ( -0.453 -1.343 1.445) 2.024 4.403 ( 0.577 3.093 -1.192) 3.364 4.458 ( -0.314 -2.341 -2.199) 3.227 4.611 ( -1.735 2.886 2.018) 3.926 4.660 ( 0.048 -1.881 0.381) 1.920 4.714 ( -0.393 0.568 1.992) 2.108 4.732 ( 0.969 -0.769 3.046) 3.287 4.824 ( 0.823 0.091 -2.875) 2.992 4.837 ( -1.364 -1.017 -1.831) 2.499 4.958 ( 1.128 1.696 0.751) 2.171 4.990 ( 1.284 -1.331 0.470) 1.908 5.010 ( -1.231 0.967 0.721) 1.723 5.024 ( -0.699 -0.333 0.282) 0.824 5.324 ( -0.218 1.204 -0.292) 1.258 5.346 ( 0.410 -0.873 -1.069) 1.440 6.238 ( -0.309 -0.115 0.456) 0.562 6.251 ( -0.113 -1.340 0.089) 1.348 6.280 ( 0.253 0.577 -0.352) 0.722 6.297 ( 0.272 -0.948 -1.058) 1.447 6.726 ( 0.072 0.743 0.003) 0.746 6.731 ( -0.142 0.256 -0.154) 0.331 6.750 ( 0.159 0.754 -0.010) 0.771 6.754 ( -0.112 0.375 -0.138) 0.415 7.181 ( 0.028 1.408 0.170) 1.419 7.203 ( -0.150 -0.637 -0.710) 0.966 7.294 ( 0.062 0.892 1.599) 1.832 7.327 ( -0.130 -1.965 0.000) 1.969 7.440 ( 0.438 0.814 0.331) 0.981 7.446 ( -0.086 0.878 0.225) 0.910 7.497 ( 0.230 -0.366 1.478) 1.540 7.536 ( -0.404 -3.379 -0.145) 3.406 7.960 ( 1.169 3.169 0.227) 3.385 7.978 ( -0.790 2.572 -0.549) 2.746 8.050 ( 0.215 1.656 0.382) 1.713 8.055 ( -0.465 0.929 0.177) 1.054 8.097 ( 0.789 -2.358 0.310) 2.506 8.125 ( -0.936 -4.155 -0.695) 4.316 8.350 ( 1.593 0.654 -1.100) 2.044 8.354 ( 1.118 0.205 -1.200) 1.652 8.435 ( -1.438 1.781 2.457) 3.358 8.452 ( -2.250 0.014 1.197) 2.549 8.497 ( 0.551 3.515 0.116) 3.560 8.550 ( 0.034 -1.488 -1.249) 1.943 8.625 ( 0.479 3.393 -1.310) 3.669 8.632 ( -0.574 0.675 -1.900) 2.097 8.664 ( -0.129 -1.539 -0.083) 1.547 8.702 ( 0.715 -1.574 -1.534) 2.311 8.746 ( -1.443 0.603 0.810) 1.761 8.759 ( 0.561 0.355 0.301) 0.729 8.774 ( -0.263 1.376 0.163) 1.410 8.802 ( 1.047 -0.686 -0.537) 1.362 8.849 ( 0.113 0.460 0.452) 0.655 8.871 ( 0.196 -1.570 0.593) 1.690 8.935 ( -0.073 -0.171 0.669) 0.695 8.949 ( 0.262 -1.536 0.640) 1.684 8.966 ( -0.508 3.242 0.501) 3.320 9.010 ( -0.056 1.280 -1.346) 1.859 9.084 ( -0.398 -4.050 -0.082) 4.070 9.100 ( 0.155 -3.780 -0.464) 3.812 9.194 ( -0.105 -0.460 -0.414) 0.628 9.211 ( 0.158 -2.183 -0.193) 2.198 9.310 ( 0.152 0.764 -1.457) 1.652 9.326 ( -0.144 -0.924 -1.280) 1.585 9.518 ( 0.536 1.334 3.914) 4.170 9.564 ( 0.031 -2.994 4.118) 5.091 9.665 ( -0.594 2.342 -1.633) 2.916 9.713 ( 0.490 -1.794 -0.206) 1.871 9.789 ( -0.173 0.774 -0.053) 0.795 9.816 ( 0.808 -1.224 0.110) 1.471 9.873 ( -0.545 2.377 -1.589) 2.910 9.907 ( -0.422 -0.833 -1.620) 1.869 9.999 ( -0.037 1.222 0.139) 1.230 10.010 ( 0.473 0.642 0.161) 0.814 10.017 ( -0.277 -0.714 0.078) 0.770 10.037 ( 0.062 -1.362 -0.884) 1.625 10.148 ( -0.548 1.017 -0.434) 1.234 10.162 ( -0.417 -0.188 -0.649) 0.794 10.200 ( 0.356 0.800 1.050) 1.367 10.210 ( 0.570 -0.138 0.820) 1.009 10.438 ( -0.347 1.237 0.434) 1.356 10.464 ( 0.027 -1.399 -0.111) 1.403 10.485 ( 0.129 0.722 -0.351) 0.814 10.499 ( 0.263 -0.630 -0.217) 0.716 10.670 ( -0.159 2.310 0.534) 2.376 10.694 ( 0.101 2.401 -0.493) 2.453 10.715 ( -0.278 -2.006 0.420) 2.068 10.735 ( 0.200 -1.653 -0.510) 1.741 ======================= Grid point 50 (28/45) ======================= q-point: ( 0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 3.973 10.402 -0.535) 11.148 0.754 ( 5.275 6.280 2.018) 8.446 0.861 ( 1.112 -3.183 -1.661) 3.759 0.881 ( -0.454 1.179 -3.245) 3.482 0.938 ( -0.025 -3.728 -0.279) 3.739 0.961 ( -2.265 -1.083 2.441) 3.502 1.051 ( -1.305 -0.297 -2.174) 2.552 1.071 ( -1.790 -0.340 -2.726) 3.279 1.190 ( 1.479 0.145 -0.120) 1.491 1.219 ( -3.099 0.754 -1.519) 3.532 1.269 ( -1.737 -6.393 -0.194) 6.627 1.281 ( -0.848 -1.991 -0.019) 2.164 1.285 ( 3.003 2.812 3.013) 5.099 1.355 ( 3.948 -2.825 4.231) 6.440 1.399 ( 0.341 -2.162 1.184) 2.489 1.414 ( -1.105 -0.002 -0.134) 1.113 1.431 ( 0.601 -1.380 1.692) 2.265 1.452 ( -2.345 -0.574 1.009) 2.616 1.472 ( -2.318 2.243 -1.409) 3.520 1.510 ( 0.931 0.143 0.518) 1.075 1.527 ( 2.752 -1.713 0.588) 3.294 1.555 ( 1.821 -3.458 -1.325) 4.127 1.600 ( 2.424 0.442 2.022) 3.187 1.623 ( 1.270 -0.918 0.189) 1.579 1.638 ( -1.378 0.342 0.738) 1.600 1.701 ( -1.907 -0.795 2.225) 3.036 1.707 ( 0.110 -0.942 -0.033) 0.949 1.711 ( 1.303 3.812 1.569) 4.323 1.731 ( -1.767 -3.292 0.826) 3.827 1.771 ( 0.286 -1.129 -1.525) 1.919 1.845 ( -3.123 -0.839 -1.079) 3.409 1.847 ( -0.330 0.228 -1.926) 1.967 1.895 ( -1.685 2.785 0.915) 3.382 1.939 ( -0.877 -0.592 0.086) 1.062 1.947 ( 0.669 5.131 0.437) 5.193 2.001 ( -0.309 4.130 1.339) 4.353 2.017 ( -1.460 -0.646 2.607) 3.057 2.037 ( -0.566 -1.023 0.421) 1.243 2.043 ( -0.798 2.022 2.672) 3.445 2.071 ( -1.699 -1.505 0.395) 2.304 2.073 ( -1.991 1.610 2.627) 3.668 2.110 ( -1.054 -1.865 -1.910) 2.870 2.173 ( 2.252 2.668 1.414) 3.767 2.214 ( 0.288 -1.995 -2.131) 2.934 2.223 ( 0.121 -1.168 -1.205) 1.682 2.267 ( 1.926 -1.164 2.585) 3.428 2.297 ( -0.076 1.678 -2.585) 3.083 2.328 ( 2.074 0.853 -0.646) 2.334 2.378 ( 0.430 2.606 -0.582) 2.705 2.417 ( 0.671 1.238 -1.535) 2.083 2.439 ( 2.710 1.764 -3.021) 4.425 2.506 ( 0.737 -1.134 0.483) 1.436 2.541 ( 1.221 2.181 1.426) 2.878 2.580 ( 1.864 -0.399 0.748) 2.048 2.610 ( 0.550 -0.101 0.842) 1.011 2.624 ( -1.524 1.082 1.316) 2.286 2.663 ( -0.997 0.923 0.530) 1.458 2.705 ( 0.993 -2.850 2.148) 3.705 2.804 ( 1.201 2.125 -1.116) 2.684 2.823 ( 1.002 -0.458 -4.163) 4.306 2.887 ( 3.267 -0.862 -1.199) 3.585 2.924 ( 3.312 -2.707 -2.369) 4.890 2.992 ( -0.471 4.426 0.338) 4.463 3.006 ( 0.405 1.732 -0.302) 1.804 3.089 ( -1.179 0.981 2.102) 2.602 3.167 ( -0.251 -1.910 -0.432) 1.975 3.184 ( 1.360 0.978 0.014) 1.675 3.249 ( 2.943 -3.349 -2.395) 5.061 3.298 ( 1.540 2.647 -0.278) 3.074 3.362 ( 0.111 -2.344 -1.102) 2.593 3.485 ( -1.429 -0.621 3.854) 4.157 3.519 ( -0.731 -2.350 -0.877) 2.613 3.615 ( -1.067 -0.231 -3.235) 3.415 3.629 ( -1.858 -2.050 0.685) 2.850 3.783 ( -2.653 -0.044 -0.712) 2.747 3.797 ( -3.443 -1.228 -1.187) 3.843 3.953 ( 1.149 0.848 1.526) 2.090 3.971 ( 1.016 -0.792 1.611) 2.063 4.021 ( 0.282 0.576 -2.182) 2.274 4.027 ( 0.144 -0.048 -1.506) 1.514 4.298 ( -3.149 2.372 3.027) 4.970 4.328 ( -2.184 -0.917 2.940) 3.776 4.424 ( 0.953 0.677 -3.085) 3.299 4.460 ( 0.053 -2.036 -3.415) 3.977 4.600 ( 0.371 2.709 1.329) 3.040 4.650 ( -0.348 -2.434 0.625) 2.537 4.703 ( -0.372 2.151 1.076) 2.434 4.743 ( 0.045 -1.659 3.437) 3.817 4.845 ( 2.717 1.275 -2.508) 3.911 4.877 ( 3.773 -1.715 -2.188) 4.686 4.976 ( -0.353 1.873 2.606) 3.229 4.997 ( 0.549 0.457 1.589) 1.742 5.028 ( 2.007 0.215 -0.172) 2.025 5.045 ( 2.841 -0.808 -0.766) 3.052 5.318 ( -0.210 1.561 -0.618) 1.692 5.348 ( -0.094 -1.316 -0.663) 1.476 6.239 ( 0.297 0.050 0.279) 0.411 6.254 ( 0.382 -1.407 0.012) 1.458 6.294 ( 1.018 0.411 -0.195) 1.115 6.307 ( 0.701 -0.716 -0.759) 1.256 6.726 ( -0.003 0.626 0.096) 0.634 6.731 ( 0.197 0.304 -0.111) 0.379 6.757 ( 0.459 0.592 -0.208) 0.777 6.763 ( 0.886 0.163 -0.034) 0.902 7.188 ( 0.726 1.145 0.184) 1.369 7.204 ( 0.179 -0.321 -0.606) 0.709 7.289 ( -0.602 0.601 1.393) 1.632 7.315 ( -0.941 -1.808 0.002) 2.038 7.436 ( -0.796 1.440 -0.091) 1.648 7.444 ( -0.176 0.534 0.247) 0.614 7.495 ( -0.550 -1.025 1.671) 2.036 7.517 ( -1.403 -2.680 -0.303) 3.040 7.961 ( -0.062 3.170 -0.561) 3.220 7.973 ( -0.953 2.451 0.040) 2.630 8.040 ( -0.171 -0.501 0.913) 1.055 8.056 ( -0.502 -1.255 -0.626) 1.489 8.131 ( 2.979 -0.011 0.367) 3.001 8.158 ( 3.955 -2.447 -0.440) 4.671 8.357 ( -1.195 1.088 0.035) 1.617 8.371 ( -0.900 -0.071 0.461) 1.014 8.388 ( -1.318 1.725 0.001) 2.171 8.408 ( -1.359 -0.146 -0.616) 1.499 8.507 ( 0.479 3.318 0.426) 3.379 8.562 ( 0.806 -1.276 -0.003) 1.509 8.617 ( -0.835 0.937 -2.188) 2.522 8.639 ( 0.841 2.698 -0.050) 2.826 8.648 ( -1.618 -1.436 -1.267) 2.507 8.705 ( -0.571 -2.469 0.726) 2.636 8.732 ( 0.028 1.494 -0.809) 1.699 8.748 ( -0.320 0.302 0.289) 0.526 8.790 ( 0.693 2.420 0.309) 2.536 8.817 ( 0.403 0.360 -0.330) 0.633 8.846 ( -0.251 0.301 0.495) 0.631 8.871 ( -0.166 -2.153 0.569) 2.233 8.916 ( -2.049 1.432 0.265) 2.514 8.952 ( -0.199 -2.186 0.665) 2.294 8.964 ( 0.453 1.177 0.064) 1.263 8.987 ( -1.981 0.538 -0.723) 2.176 9.066 ( -1.096 -3.143 0.145) 3.332 9.094 ( -0.975 -4.064 -0.437) 4.202 9.197 ( 0.241 -0.512 -0.378) 0.681 9.208 ( -0.238 -1.550 -0.066) 1.570 9.314 ( 0.218 0.492 -1.470) 1.566 9.326 ( 0.100 -0.687 -1.526) 1.677 9.533 ( 0.839 0.441 3.923) 4.036 9.561 ( -0.334 -2.275 4.288) 4.866 9.656 ( -0.262 2.438 -1.773) 3.026 9.709 ( -0.729 -2.474 -0.671) 2.665 9.796 ( 0.816 1.859 0.758) 2.167 9.828 ( 0.456 -1.014 0.046) 1.113 9.855 ( -1.120 2.003 -1.728) 2.873 9.896 ( -0.740 -1.542 -1.703) 2.414 10.007 ( 0.935 1.345 -0.079) 1.640 10.025 ( 0.994 0.216 0.385) 1.088 10.030 ( 1.385 0.164 -0.172) 1.405 10.052 ( 1.350 -1.170 -0.643) 1.899 10.143 ( -0.111 1.016 -0.329) 1.074 10.157 ( -0.172 -0.202 -0.254) 0.367 10.204 ( 0.198 0.987 0.384) 1.077 10.219 ( 0.318 -0.495 0.940) 1.109 10.425 ( -0.932 1.443 0.042) 1.718 10.453 ( -1.062 -1.317 0.163) 1.699 10.479 ( -0.715 0.578 -0.619) 1.108 10.492 ( -0.926 -0.625 0.158) 1.129 10.674 ( 0.546 2.186 0.348) 2.280 10.695 ( 0.005 2.086 -0.175) 2.094 10.720 ( 0.709 -1.588 -0.016) 1.740 10.739 ( 0.183 -1.632 -0.212) 1.656 ======================= Grid point 51 (29/45) ======================= q-point: ( 0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 3.484 7.342 -2.657) 8.549 0.846 ( 0.555 3.078 1.499) 3.468 0.886 ( 6.197 -0.942 1.985) 6.575 0.928 ( 2.077 0.419 -0.479) 2.172 0.935 ( 1.548 0.051 1.662) 2.272 0.963 ( 1.739 -2.810 -1.263) 3.538 1.034 ( -1.495 -1.926 -3.457) 4.230 1.040 ( 0.990 -0.883 -1.554) 2.043 1.153 ( -2.970 -1.944 0.580) 3.597 1.207 ( -1.314 -4.338 -0.801) 4.603 1.227 ( -0.483 -3.210 0.060) 3.247 1.254 ( -1.277 -3.984 1.678) 4.508 1.312 ( -1.515 1.322 0.912) 2.208 1.351 ( -2.044 0.311 0.198) 2.077 1.393 ( -1.239 -0.952 3.323) 3.672 1.412 ( 0.341 -1.096 3.801) 3.971 1.439 ( 2.529 0.087 0.090) 2.532 1.460 ( 0.377 1.379 -0.992) 1.740 1.477 ( 1.636 -2.827 0.484) 3.302 1.514 ( -0.931 -3.059 0.670) 3.267 1.571 ( 0.745 0.403 -0.714) 1.108 1.590 ( -1.543 2.583 1.401) 3.320 1.613 ( 0.382 -3.400 0.012) 3.422 1.625 ( 1.663 -0.537 0.115) 1.751 1.640 ( -0.274 0.490 0.273) 0.624 1.664 ( -1.348 1.140 0.972) 2.015 1.684 ( -2.001 -0.789 2.032) 2.959 1.713 ( 0.560 -2.606 -0.247) 2.677 1.724 ( -0.580 0.289 0.491) 0.813 1.783 ( -1.194 -5.399 -0.931) 5.607 1.786 ( 0.530 0.722 -0.303) 0.945 1.829 ( -1.684 -2.661 -1.087) 3.332 1.883 ( 0.690 4.157 1.626) 4.517 1.926 ( -0.773 1.302 -1.680) 2.262 1.944 ( -1.154 0.175 -1.481) 1.885 1.984 ( -0.062 -0.807 2.038) 2.193 2.006 ( -0.557 1.787 1.371) 2.321 2.014 ( -0.509 2.239 2.159) 3.152 2.035 ( -0.515 0.185 0.836) 0.999 2.054 ( -0.217 3.078 0.469) 3.121 2.070 ( 1.046 -1.254 1.097) 1.967 2.088 ( -0.964 -1.257 -1.080) 1.917 2.185 ( -0.044 0.048 -2.008) 2.009 2.229 ( 0.567 -3.310 -0.973) 3.496 2.242 ( 0.149 1.981 1.587) 2.543 2.271 ( -0.305 0.399 2.939) 2.982 2.308 ( 2.155 4.833 -0.358) 5.304 2.379 ( 0.086 1.173 -0.945) 1.509 2.409 ( 2.925 0.348 -0.129) 2.949 2.423 ( 1.247 2.858 -1.768) 3.584 2.478 ( 0.324 -0.455 -1.183) 1.309 2.513 ( -0.123 -1.293 -2.115) 2.482 2.544 ( -1.403 2.386 -0.462) 2.806 2.577 ( -0.006 0.399 0.559) 0.687 2.628 ( 2.207 1.533 0.018) 2.687 2.652 ( 1.974 -1.777 1.051) 2.856 2.665 ( 1.075 2.920 0.619) 3.172 2.717 ( 1.084 -0.818 -0.176) 1.369 2.820 ( 0.612 2.402 -0.521) 2.533 2.846 ( 0.889 -0.117 -1.002) 1.345 2.953 ( 0.369 1.657 -3.899) 4.253 2.960 ( 3.162 0.733 1.851) 3.737 2.975 ( -1.230 3.065 -0.101) 3.304 3.047 ( 2.568 -3.782 -1.570) 4.833 3.066 ( -0.108 3.620 2.462) 4.379 3.167 ( 0.395 -3.415 -0.248) 3.446 3.229 ( 3.141 3.866 1.323) 5.154 3.306 ( 1.814 -1.051 -0.674) 2.202 3.349 ( -1.320 1.603 1.504) 2.564 3.357 ( 4.393 -0.858 -3.991) 5.997 3.459 ( -0.567 -2.585 0.971) 2.819 3.484 ( -3.445 -4.561 1.298) 5.861 3.596 ( -0.508 0.069 -1.662) 1.739 3.621 ( 1.073 -2.304 -2.495) 3.561 3.723 ( -2.726 0.064 -0.496) 2.771 3.740 ( -1.893 -1.545 -0.364) 2.470 3.976 ( 1.029 0.671 0.838) 1.488 3.981 ( -0.865 0.996 0.444) 1.392 4.006 ( -1.193 0.515 -2.219) 2.572 4.026 ( -0.502 -0.499 -1.047) 1.263 4.230 ( -3.252 0.675 5.658) 6.561 4.264 ( -4.503 -2.479 4.591) 6.892 4.432 ( 0.121 0.507 -5.053) 5.080 4.455 ( -0.344 -1.175 -5.136) 5.280 4.617 ( 1.389 1.994 2.246) 3.309 4.651 ( 0.138 -1.758 1.751) 2.485 4.710 ( 0.973 2.416 -0.523) 2.657 4.751 ( 0.914 -1.651 1.138) 2.203 4.909 ( 3.064 2.326 -1.004) 3.975 4.948 ( 2.810 -0.553 -0.975) 3.026 4.967 ( -0.461 0.389 2.735) 2.801 4.987 ( -0.761 -0.300 1.006) 1.297 5.078 ( 2.239 1.355 -0.261) 2.630 5.099 ( 2.603 -0.395 -0.555) 2.690 5.325 ( 0.982 1.050 -0.858) 1.675 5.346 ( -0.066 -1.058 0.022) 1.060 6.246 ( 0.392 0.289 0.195) 0.524 6.263 ( 0.454 -1.263 -0.292) 1.374 6.312 ( 0.747 0.250 0.120) 0.797 6.320 ( 0.627 -0.460 -0.291) 0.830 6.727 ( 0.107 0.477 0.090) 0.497 6.737 ( 0.274 -0.387 0.078) 0.480 6.767 ( 0.521 0.971 -0.239) 1.127 6.780 ( 0.817 -0.283 -0.148) 0.877 7.208 ( 1.338 0.503 0.150) 1.437 7.211 ( 0.634 0.121 -0.373) 0.746 7.274 ( -0.882 0.305 0.805) 1.232 7.294 ( -1.283 -1.442 0.061) 1.931 7.421 ( -0.609 1.247 -0.146) 1.395 7.435 ( -0.647 -0.072 -0.011) 0.652 7.478 ( -1.076 -0.633 1.099) 1.663 7.490 ( -1.305 -1.489 0.010) 1.979 7.943 ( -1.490 3.192 1.022) 3.668 7.964 ( -0.024 1.969 -1.602) 2.539 8.030 ( -0.851 -1.432 1.220) 2.065 8.052 ( 0.080 -2.813 -1.089) 3.018 8.198 ( 3.426 2.100 0.009) 4.018 8.236 ( 3.158 -1.209 -0.107) 3.383 8.321 ( -2.212 0.880 1.720) 2.936 8.329 ( -0.879 -0.163 0.568) 1.059 8.398 ( 0.041 1.373 -0.503) 1.462 8.405 ( 1.421 0.485 -2.166) 2.636 8.520 ( 0.680 1.951 -0.094) 2.068 8.562 ( -0.997 -1.568 0.373) 1.895 8.610 ( -0.893 0.345 -0.459) 1.062 8.617 ( 0.541 -0.243 -1.433) 1.551 8.657 ( 0.848 1.787 0.052) 1.978 8.695 ( -0.083 -0.797 1.049) 1.320 8.736 ( 0.467 1.236 -0.512) 1.417 8.754 ( 0.559 -0.454 0.045) 0.722 8.785 ( -1.156 2.993 1.149) 3.408 8.813 ( -0.920 2.306 -0.407) 2.516 8.845 ( -0.382 1.290 0.247) 1.368 8.864 ( -0.606 -2.080 0.840) 2.324 8.871 ( -1.742 -0.894 -1.046) 2.220 8.935 ( -1.469 -4.139 0.711) 4.449 8.948 ( -1.452 0.583 -0.331) 1.599 8.980 ( 0.713 -0.880 0.042) 1.133 9.047 ( -1.000 -2.249 -0.033) 2.462 9.060 ( -2.377 -3.228 -0.518) 4.042 9.202 ( 0.493 -0.129 0.093) 0.518 9.213 ( 0.738 -1.031 0.029) 1.268 9.315 ( -0.182 0.535 -1.976) 2.055 9.326 ( -0.157 -0.508 -1.739) 1.819 9.544 ( 0.163 0.344 4.167) 4.184 9.562 ( 0.765 -1.345 3.143) 3.504 9.653 ( -0.062 2.020 -0.970) 2.242 9.693 ( -0.815 -1.904 -0.330) 2.097 9.808 ( 0.023 1.428 0.421) 1.489 9.837 ( 0.626 -1.261 0.557) 1.514 9.838 ( -0.432 1.683 -2.533) 3.071 9.880 ( -0.836 -1.893 -1.297) 2.442 10.031 ( 1.416 1.278 -0.152) 1.913 10.045 ( 0.897 0.460 0.348) 1.066 10.057 ( 1.235 0.311 -0.092) 1.277 10.079 ( 1.185 -1.110 -0.138) 1.629 10.142 ( 0.008 0.814 -0.129) 0.824 10.155 ( 0.007 -0.305 -0.189) 0.359 10.212 ( 0.612 0.899 -0.029) 1.087 10.222 ( 0.076 -0.254 0.753) 0.799 10.408 ( -0.757 1.424 -0.281) 1.637 10.428 ( -1.451 -0.363 0.352) 1.536 10.460 ( -1.251 0.042 -0.157) 1.262 10.470 ( -1.051 -0.808 -0.106) 1.330 10.686 ( 0.610 2.163 0.083) 2.249 10.696 ( 0.102 1.997 -0.061) 2.001 10.735 ( 0.803 -1.566 -0.228) 1.775 10.742 ( 0.118 -1.477 0.122) 1.487 ======================= Grid point 52 (30/45) ======================= q-point: ( 0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.843 ( -0.370 5.300 0.350) 5.325 0.868 ( 0.441 6.516 -1.862) 6.791 0.924 ( -0.132 -0.609 -0.679) 0.922 0.938 ( 1.129 -1.258 0.400) 1.737 0.978 ( -0.376 -2.428 -1.486) 2.872 0.999 ( 1.133 2.170 -0.479) 2.494 1.074 ( 0.328 -5.336 1.209) 5.481 1.089 ( 4.985 -4.946 1.051) 7.101 1.122 ( 2.214 0.112 0.884) 2.386 1.191 ( 0.634 -3.420 -0.454) 3.508 1.204 ( -1.912 -3.057 0.849) 3.704 1.251 ( -0.821 -4.613 0.074) 4.686 1.282 ( -0.812 -1.586 2.151) 2.793 1.310 ( -1.734 -2.372 1.455) 3.279 1.395 ( 1.407 1.843 1.939) 3.023 1.435 ( -0.478 0.174 2.814) 2.860 1.454 ( 0.425 0.162 -2.391) 2.434 1.463 ( -0.264 -1.066 -1.415) 1.791 1.488 ( 1.450 -1.239 2.400) 3.066 1.510 ( 0.962 -1.084 1.237) 1.906 1.542 ( -2.531 0.332 0.049) 2.553 1.559 ( -2.360 -1.173 -0.729) 2.734 1.574 ( -1.464 0.184 1.220) 1.914 1.607 ( -1.497 -0.730 -0.982) 1.933 1.638 ( -0.883 -1.825 -0.414) 2.069 1.664 ( -2.316 -2.933 2.352) 4.416 1.677 ( 2.321 0.271 1.883) 3.001 1.714 ( 0.207 -2.687 -0.164) 2.700 1.734 ( 0.636 -0.895 0.675) 1.289 1.765 ( -0.500 -4.027 -0.703) 4.119 1.806 ( 1.684 0.936 0.753) 2.068 1.828 ( 0.376 -0.940 0.714) 1.239 1.896 ( 0.417 4.438 -1.302) 4.644 1.929 ( 1.067 0.901 -0.560) 1.505 1.941 ( 0.631 0.248 -1.214) 1.390 1.974 ( -1.267 1.075 1.506) 2.243 1.980 ( -2.523 -1.516 1.748) 3.423 1.995 ( 0.019 -1.389 1.033) 1.731 2.041 ( 0.240 1.688 -0.391) 1.749 2.044 ( -0.087 1.632 -1.343) 2.115 2.077 ( -0.182 1.563 0.458) 1.639 2.109 ( 1.920 -1.187 -0.747) 2.378 2.176 ( -0.452 1.887 -0.541) 2.014 2.212 ( -1.642 -1.147 2.336) 3.077 2.233 ( -1.161 3.292 -0.402) 3.513 2.284 ( 1.259 -2.288 1.805) 3.175 2.355 ( 0.982 2.556 0.397) 2.766 2.382 ( 0.864 1.653 -1.207) 2.222 2.403 ( -0.235 3.045 -2.760) 4.116 2.447 ( -1.760 1.833 -1.939) 3.197 2.488 ( 2.712 -0.516 0.315) 2.779 2.516 ( 0.967 -2.063 -1.893) 2.962 2.536 ( -0.129 3.513 -0.039) 3.516 2.587 ( 0.597 -1.607 -0.773) 1.881 2.644 ( -0.866 1.319 -0.001) 1.578 2.670 ( 0.255 -0.049 0.551) 0.609 2.696 ( 1.563 3.089 0.281) 3.473 2.753 ( 2.055 -1.106 -0.661) 2.426 2.820 ( -1.093 2.699 0.550) 2.964 2.856 ( 0.296 0.055 0.368) 0.475 2.939 ( -1.281 0.370 -0.666) 1.491 2.940 ( -1.127 0.102 -0.667) 1.313 3.012 ( 0.988 2.972 -0.401) 3.157 3.076 ( 1.848 -0.767 -2.486) 3.191 3.097 ( 1.582 2.816 1.375) 3.511 3.181 ( 0.489 -2.098 -0.003) 2.154 3.277 ( 0.200 4.861 4.198) 6.426 3.298 ( -0.880 1.174 1.345) 1.991 3.322 ( -0.845 -1.044 0.668) 1.501 3.401 ( -3.690 -6.037 1.894) 7.324 3.456 ( 4.167 -0.173 -3.307) 5.322 3.475 ( 2.244 -1.107 -4.175) 4.868 3.607 ( 1.216 1.475 -1.006) 2.160 3.646 ( 0.604 -2.082 -1.666) 2.734 3.699 ( 0.240 0.716 0.076) 0.759 3.732 ( 0.836 -1.883 -1.983) 2.860 3.927 ( -3.032 1.902 0.234) 3.587 3.984 ( -1.168 -1.537 -0.588) 2.018 3.997 ( -0.526 -0.368 -1.730) 1.846 4.003 ( -0.885 -1.277 -0.328) 1.588 4.176 ( -2.818 -0.562 7.718) 8.236 4.200 ( -0.603 -2.681 5.157) 5.844 4.438 ( 0.649 0.622 -6.323) 6.386 4.446 ( -0.633 -0.022 -5.871) 5.905 4.642 ( 0.461 0.839 3.025) 3.172 4.655 ( 0.559 -0.788 3.395) 3.530 4.732 ( 1.407 2.670 -1.597) 3.415 4.774 ( 1.420 -1.435 -1.453) 2.487 4.909 ( -2.652 1.458 4.638) 5.538 4.931 ( -2.422 -0.015 3.030) 3.879 4.991 ( 2.431 1.656 -2.492) 3.855 5.028 ( 3.049 -1.835 -2.957) 4.627 5.102 ( 0.195 2.059 0.899) 2.255 5.135 ( 0.896 -0.681 -0.440) 1.208 5.340 ( -0.340 0.547 0.439) 0.779 5.350 ( 0.925 -0.279 -0.601) 1.138 6.252 ( 0.264 0.493 0.157) 0.580 6.270 ( 0.265 -1.128 -0.533) 1.275 6.321 ( 0.137 0.176 0.312) 0.383 6.327 ( 0.088 -0.404 0.050) 0.417 6.730 ( 0.155 0.198 0.172) 0.305 6.739 ( -0.050 -0.602 0.008) 0.604 6.776 ( 0.399 0.918 -0.085) 1.004 6.790 ( 0.189 -0.425 -0.330) 0.570 7.227 ( 0.909 0.457 0.044) 1.018 7.236 ( 1.500 -0.225 0.176) 1.527 7.256 ( -1.030 0.067 0.115) 1.038 7.269 ( -1.221 -0.898 0.012) 1.516 7.416 ( 0.037 0.571 0.028) 0.573 7.424 ( -0.464 -0.317 -0.044) 0.564 7.461 ( -0.536 -0.035 0.551) 0.770 7.470 ( -0.649 -0.733 0.091) 0.983 7.922 ( -0.674 3.656 0.883) 3.821 7.963 ( 0.086 1.458 -1.367) 2.000 8.015 ( -0.606 -1.391 1.131) 1.892 8.053 ( 0.046 -3.261 -0.908) 3.385 8.248 ( 1.685 1.741 -0.038) 2.423 8.260 ( -0.284 0.634 0.388) 0.795 8.296 ( -0.374 0.720 0.741) 1.099 8.328 ( 0.296 -1.804 -0.927) 2.049 8.405 ( 0.153 2.930 0.915) 3.074 8.433 ( 1.283 0.355 -1.159) 1.765 8.517 ( -0.577 0.277 -0.975) 1.166 8.533 ( -1.697 -0.674 -0.687) 1.951 8.628 ( 1.631 0.709 0.143) 1.784 8.638 ( 1.457 0.497 0.185) 1.551 8.672 ( 0.957 1.485 0.316) 1.794 8.710 ( 1.187 -1.565 -0.140) 1.969 8.740 ( -1.166 2.694 1.011) 3.105 8.755 ( -0.067 0.866 0.467) 0.986 8.760 ( -0.340 1.443 1.459) 2.080 8.792 ( -0.728 2.025 -0.457) 2.200 8.824 ( -0.980 1.129 -1.539) 2.145 8.836 ( -1.570 -3.404 0.869) 3.848 8.872 ( 0.315 -1.444 0.241) 1.498 8.909 ( -0.960 -1.083 -0.768) 1.638 8.942 ( 0.954 -2.936 0.949) 3.230 8.981 ( -0.825 -3.593 0.098) 3.688 9.020 ( -1.296 -0.638 -0.873) 1.688 9.027 ( -0.957 -1.766 -0.772) 2.152 9.215 ( 0.660 0.427 0.923) 1.212 9.231 ( 0.977 -0.689 0.149) 1.204 9.309 ( -0.315 0.469 -2.494) 2.557 9.318 ( -0.613 -0.444 -2.076) 2.210 9.545 ( -0.031 1.515 3.621) 3.925 9.584 ( 1.269 -1.932 2.686) 3.544 9.651 ( -0.214 1.458 -0.177) 1.484 9.678 ( -0.676 -1.049 0.175) 1.260 9.797 ( -0.847 1.226 -0.766) 1.675 9.833 ( -0.347 -0.119 -2.464) 2.491 9.849 ( 0.213 -0.951 0.808) 1.266 9.873 ( 0.551 -1.309 -0.924) 1.694 10.052 ( 0.248 1.484 0.437) 1.567 10.058 ( 0.859 0.920 0.021) 1.259 10.075 ( 0.683 -0.192 0.181) 0.732 10.089 ( -0.127 -1.533 0.171) 1.548 10.144 ( 0.174 0.772 -0.081) 0.796 10.159 ( 0.378 -0.618 -0.479) 0.868 10.222 ( -0.020 0.666 0.172) 0.688 10.223 ( 0.376 0.569 -0.003) 0.682 10.397 ( -0.475 0.950 0.260) 1.093 10.407 ( -0.495 0.239 0.213) 0.589 10.435 ( -1.094 0.532 0.378) 1.274 10.458 ( -0.255 -1.336 -0.764) 1.560 10.696 ( 0.359 2.393 -0.133) 2.424 10.698 ( 0.109 2.093 -0.109) 2.099 10.742 ( -0.114 -1.398 0.333) 1.442 10.748 ( 0.405 -1.891 -0.228) 1.948 ======================= Grid point 53 (31/45) ======================= q-point: (-0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( -1.657 4.556 0.879) 4.927 0.864 ( -1.754 2.582 -0.935) 3.258 0.887 ( -2.974 0.656 -1.469) 3.382 0.953 ( 0.212 0.979 -0.632) 1.184 0.958 ( -1.825 -0.700 -0.266) 1.973 1.003 ( -0.088 -4.625 -2.110) 5.084 1.077 ( 0.197 0.653 4.276) 4.330 1.157 ( -0.805 -1.668 -1.013) 2.111 1.174 ( 3.243 -1.848 -0.432) 3.758 1.189 ( 0.672 -4.089 0.358) 4.160 1.198 ( -0.986 -6.117 1.864) 6.470 1.220 ( 1.058 -1.481 -0.837) 2.003 1.284 ( 0.565 -1.311 1.171) 1.847 1.297 ( 0.734 0.159 3.323) 3.407 1.369 ( -3.339 1.071 -0.301) 3.520 1.417 ( -3.447 -0.096 0.510) 3.486 1.419 ( -0.169 -2.553 0.548) 2.616 1.475 ( -1.797 -3.656 1.286) 4.272 1.521 ( 1.458 0.420 0.599) 1.632 1.535 ( 1.568 1.560 -0.910) 2.392 1.540 ( -0.014 0.713 -0.657) 0.970 1.554 ( 3.075 -1.410 2.896) 4.453 1.574 ( 1.810 -1.580 -1.188) 2.681 1.604 ( 3.701 -3.644 1.805) 5.499 1.646 ( 0.961 -0.396 1.541) 1.859 1.662 ( 1.101 -1.586 0.474) 1.988 1.701 ( 0.937 -0.286 1.245) 1.584 1.721 ( 0.373 -0.120 -1.215) 1.276 1.734 ( -0.531 -0.760 0.428) 1.022 1.762 ( 0.794 -2.944 0.664) 3.121 1.792 ( -2.066 0.739 1.043) 2.430 1.825 ( -1.871 -2.130 -0.503) 2.879 1.890 ( -1.161 0.736 -0.718) 1.550 1.922 ( -1.748 -2.021 -0.660) 2.752 1.945 ( 0.727 1.570 -0.452) 1.788 1.967 ( 1.407 2.061 0.084) 2.496 1.978 ( 0.794 0.146 -0.028) 0.808 2.013 ( 1.715 0.414 2.435) 3.007 2.034 ( -1.277 2.858 0.853) 3.245 2.049 ( 0.042 0.688 -0.439) 0.817 2.065 ( -0.640 0.232 -0.113) 0.690 2.127 ( 0.312 -2.401 -1.712) 2.965 2.183 ( 0.475 1.369 -0.405) 1.504 2.186 ( -0.548 1.355 2.530) 2.922 2.213 ( -0.418 2.269 -1.059) 2.539 2.272 ( -2.546 -1.604 2.416) 3.859 2.351 ( -0.246 2.944 -1.055) 3.137 2.404 ( 0.652 -0.870 -1.342) 1.728 2.421 ( -0.032 2.932 -1.408) 3.253 2.432 ( 0.778 3.475 -1.861) 4.018 2.518 ( 0.071 0.998 0.007) 1.001 2.527 ( -0.403 3.689 1.727) 4.093 2.538 ( 0.339 -0.450 -1.497) 1.599 2.595 ( 0.417 -1.926 -2.556) 3.228 2.622 ( -0.823 -0.656 -1.819) 2.101 2.653 ( -1.182 -0.924 1.696) 2.264 2.724 ( 1.269 3.008 0.552) 3.311 2.773 ( -1.659 -1.091 -1.049) 2.246 2.787 ( -0.389 4.509 0.497) 4.553 2.846 ( -1.363 -0.312 0.622) 1.530 2.903 ( -1.716 0.749 0.170) 1.880 2.948 ( 0.421 -2.780 -0.183) 2.818 3.006 ( -1.477 4.890 -1.113) 5.228 3.078 ( -0.847 -1.380 -1.791) 2.415 3.129 ( 0.740 2.133 1.885) 2.941 3.172 ( -0.971 0.146 -1.125) 1.493 3.253 ( -1.101 1.079 3.012) 3.384 3.272 ( -2.262 -0.138 1.365) 2.646 3.328 ( 0.227 0.496 0.516) 0.751 3.366 ( 0.560 -3.569 -0.352) 3.630 3.496 ( 1.068 0.224 -0.732) 1.314 3.534 ( 2.088 -2.550 -2.856) 4.361 3.614 ( -1.155 1.924 -0.210) 2.254 3.634 ( -0.354 -0.209 -1.922) 1.966 3.728 ( 2.193 1.440 -1.041) 2.823 3.761 ( 1.882 -2.012 -3.181) 4.208 3.902 ( 0.062 -0.741 1.031) 1.271 3.924 ( -2.926 -3.415 -0.068) 4.497 3.997 ( 0.094 0.511 -0.569) 0.770 4.010 ( 1.149 -0.658 -1.034) 1.680 4.159 ( 0.881 1.638 7.038) 7.279 4.216 ( 1.901 -3.716 5.118) 6.605 4.434 ( -0.517 1.363 -5.587) 5.774 4.458 ( 1.371 -0.825 -6.262) 6.463 4.627 ( -1.385 1.251 3.123) 3.639 4.664 ( -0.099 -1.965 2.417) 3.116 4.763 ( 1.389 3.392 -1.976) 4.165 4.808 ( 2.150 -0.868 -2.319) 3.279 4.851 ( -2.853 0.953 4.613) 5.507 4.881 ( -2.836 -0.812 2.517) 3.878 5.029 ( 1.434 2.404 -1.900) 3.383 5.071 ( 0.891 -1.611 -0.796) 2.005 5.087 ( -1.393 1.946 0.607) 2.468 5.128 ( -1.561 -1.202 -0.260) 1.987 5.326 ( -0.854 1.715 0.106) 1.919 5.357 ( -0.431 -1.113 -0.266) 1.223 6.256 ( 0.164 0.495 0.184) 0.553 6.273 ( 0.075 -1.055 -0.627) 1.230 6.317 ( -0.515 0.106 0.316) 0.613 6.323 ( -0.548 -0.433 0.113) 0.707 6.730 ( -0.200 0.292 0.166) 0.391 6.739 ( 0.077 -0.563 0.006) 0.568 6.779 ( -0.111 0.552 0.051) 0.565 6.787 ( -0.466 -0.182 -0.458) 0.679 7.229 ( -1.198 0.426 0.016) 1.272 7.241 ( -0.706 -0.767 0.267) 1.076 7.251 ( 0.604 0.740 0.058) 0.957 7.269 ( 1.365 -0.998 0.005) 1.691 7.417 ( 0.032 0.257 0.051) 0.264 7.422 ( 0.275 -0.163 -0.052) 0.324 7.459 ( 0.327 0.315 0.485) 0.664 7.472 ( 0.943 -0.839 0.145) 1.270 7.916 ( -0.007 3.717 0.670) 3.777 7.970 ( 0.581 1.163 -1.300) 1.839 8.007 ( -0.184 -1.134 1.081) 1.577 8.057 ( 0.421 -3.242 -0.713) 3.346 8.239 ( -1.492 1.418 0.001) 2.058 8.260 ( -0.628 -0.352 0.413) 0.830 8.302 ( 0.667 1.808 0.389) 1.966 8.344 ( 1.347 -1.631 -0.609) 2.201 8.386 ( -1.776 3.213 0.329) 3.686 8.436 ( -1.414 -0.946 -0.603) 1.805 8.515 ( 0.227 0.500 -0.562) 0.785 8.524 ( 1.264 -0.377 -0.965) 1.634 8.626 ( -0.675 1.417 0.360) 1.610 8.640 ( -2.108 -0.094 -0.082) 2.112 8.691 ( 0.103 2.918 0.234) 2.929 8.710 ( 0.956 0.994 0.036) 1.380 8.747 ( -0.473 1.307 1.416) 1.984 8.760 ( 0.844 2.112 0.809) 2.414 8.772 ( 1.293 -1.276 -0.481) 1.879 8.789 ( 0.884 0.627 0.304) 1.126 8.811 ( -0.988 -2.233 0.111) 2.445 8.824 ( 0.877 -1.284 -0.368) 1.598 8.878 ( 0.633 -0.266 0.304) 0.751 8.906 ( 0.700 -0.115 -0.981) 1.211 8.951 ( -0.364 -2.432 1.082) 2.687 8.980 ( 0.601 -2.975 0.241) 3.045 9.010 ( 0.004 -1.668 -1.063) 1.978 9.022 ( 1.121 -2.265 -0.824) 2.658 9.219 ( -0.367 0.737 0.733) 1.102 9.244 ( 0.137 -1.080 0.596) 1.241 9.305 ( -0.311 0.243 -2.354) 2.387 9.312 ( 0.354 -0.196 -2.461) 2.494 9.542 ( -0.392 2.464 3.465) 4.270 9.602 ( 0.270 -3.118 3.406) 4.626 9.646 ( -0.015 1.477 -0.393) 1.528 9.671 ( -0.043 -0.414 -0.008) 0.417 9.784 ( -0.360 0.402 -1.294) 1.402 9.820 ( -0.853 -1.804 -1.258) 2.359 9.853 ( 0.387 1.584 -0.428) 1.686 9.892 ( 0.962 -1.617 -0.578) 1.968 10.047 ( -0.574 1.223 0.237) 1.372 10.065 ( -0.612 1.130 0.409) 1.349 10.078 ( -0.270 -1.005 -0.104) 1.046 10.084 ( -0.313 -0.640 0.190) 0.737 10.149 ( 0.420 0.923 0.038) 1.014 10.166 ( 0.285 -0.534 -0.571) 0.832 10.214 ( -0.817 1.128 -0.039) 1.393 10.226 ( -0.256 -0.134 0.270) 0.395 10.394 ( 0.416 0.859 0.166) 0.969 10.409 ( 0.546 -0.676 0.394) 0.954 10.427 ( 0.312 1.697 0.069) 1.727 10.460 ( 0.492 -1.545 -0.561) 1.716 10.699 ( -0.036 2.151 -0.146) 2.156 10.699 ( -0.045 2.671 -0.115) 2.674 10.737 ( -0.314 -1.428 0.221) 1.478 10.751 ( -0.150 -2.159 -0.096) 2.167 ======================= Grid point 54 (32/45) ======================= q-point: (-0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.747 ( -7.443 2.442 1.481) 7.972 0.798 ( -1.952 -1.252 -1.726) 2.890 0.846 ( -2.430 3.194 0.849) 4.102 0.920 ( -1.065 -3.226 0.388) 3.419 0.968 ( 0.375 0.912 -1.155) 1.519 0.978 ( -1.963 -1.153 -2.663) 3.504 1.068 ( 0.974 3.082 2.055) 3.830 1.151 ( -1.342 -0.499 -1.500) 2.073 1.182 ( -0.066 -1.911 -2.582) 3.213 1.189 ( -0.272 2.439 -0.727) 2.559 1.231 ( 1.889 -2.887 0.167) 3.454 1.255 ( 2.449 -1.967 0.963) 3.285 1.305 ( 1.090 -0.463 1.292) 1.753 1.323 ( 0.457 -1.726 1.629) 2.417 1.331 ( 0.214 -2.588 -0.044) 2.597 1.383 ( 1.356 -1.388 2.690) 3.317 1.420 ( -0.830 -4.293 1.433) 4.601 1.445 ( -0.649 -3.723 3.666) 5.265 1.510 ( -0.206 0.971 -0.639) 1.180 1.532 ( 0.426 -0.952 -0.909) 1.383 1.572 ( -0.745 3.112 1.175) 3.409 1.612 ( 0.057 -0.103 0.060) 0.131 1.621 ( 1.175 0.206 0.046) 1.194 1.644 ( -0.539 -0.422 0.500) 0.848 1.666 ( 0.605 -1.294 -0.188) 1.441 1.673 ( 2.503 -3.315 1.231) 4.332 1.702 ( -0.911 -0.056 0.608) 1.096 1.727 ( -0.472 -1.502 2.806) 3.217 1.743 ( 0.033 1.404 -1.145) 1.812 1.751 ( 0.492 0.831 1.715) 1.968 1.791 ( 0.141 -1.243 -0.825) 1.498 1.822 ( 3.967 -4.230 -0.787) 5.852 1.878 ( 0.580 0.579 -0.577) 1.002 1.903 ( -0.368 -0.685 -2.446) 2.566 1.966 ( 1.325 3.030 -0.981) 3.450 1.985 ( -0.134 1.962 1.433) 2.434 1.993 ( 1.128 0.571 1.445) 1.920 2.003 ( -0.632 1.746 1.550) 2.419 2.026 ( -1.048 0.982 0.829) 1.658 2.037 ( -0.628 -2.018 1.677) 2.698 2.073 ( 1.004 0.686 0.662) 1.385 2.131 ( 0.378 -5.260 -0.958) 5.360 2.176 ( -1.488 3.020 2.063) 3.949 2.205 ( 2.776 1.469 -1.809) 3.624 2.212 ( -2.603 0.867 2.545) 3.742 2.230 ( 1.354 0.151 -1.930) 2.362 2.336 ( -1.473 2.920 0.466) 3.303 2.394 ( -1.161 3.755 -1.047) 4.068 2.400 ( -2.746 -1.998 -0.077) 3.397 2.425 ( -1.699 1.306 -1.148) 2.431 2.492 ( -1.999 2.032 -0.103) 2.852 2.510 ( -1.290 2.766 -1.701) 3.494 2.544 ( 1.001 2.898 0.760) 3.159 2.601 ( 0.051 2.092 -3.087) 3.729 2.627 ( 0.235 -3.548 -0.407) 3.579 2.652 ( 0.692 -1.459 0.572) 1.713 2.726 ( -1.662 0.879 2.888) 3.446 2.735 ( -0.516 0.294 -0.065) 0.598 2.773 ( -1.608 3.772 -2.181) 4.644 2.828 ( -0.409 0.962 -1.046) 1.479 2.868 ( -1.780 -0.991 0.575) 2.117 2.915 ( -3.881 -4.873 0.197) 6.233 2.986 ( -0.060 5.649 -1.436) 5.829 3.058 ( -1.164 1.256 -0.098) 1.715 3.123 ( -0.986 -0.050 2.375) 2.572 3.158 ( -0.440 -0.620 -0.576) 0.954 3.233 ( -1.922 -0.336 -1.947) 2.756 3.236 ( -0.696 -0.181 -0.292) 0.777 3.317 ( -0.825 2.557 0.689) 2.774 3.395 ( 0.971 -4.287 -1.554) 4.663 3.512 ( 0.403 -1.622 0.673) 1.802 3.527 ( -1.540 -2.163 1.899) 3.264 3.615 ( 1.509 -0.107 -0.916) 1.769 3.638 ( 0.983 -1.310 -1.876) 2.490 3.766 ( 1.693 1.715 -2.704) 3.622 3.797 ( 1.958 -1.522 -2.507) 3.526 3.898 ( 0.099 -0.483 0.351) 0.606 3.909 ( 0.391 -0.737 1.791) 1.976 3.998 ( -0.108 1.527 -0.417) 1.586 4.033 ( 0.868 -1.558 -0.835) 1.969 4.200 ( 3.226 2.694 5.310) 6.772 4.268 ( 3.402 -3.419 3.492) 5.954 4.427 ( -0.313 2.290 -4.119) 4.723 4.482 ( 0.712 -2.796 -4.912) 5.696 4.609 ( -0.041 1.663 2.138) 2.708 4.657 ( -0.312 -2.781 1.370) 3.116 4.763 ( -1.484 4.343 -0.613) 4.630 4.800 ( -3.326 0.282 2.863) 4.398 4.831 ( -0.798 -0.087 1.346) 1.567 4.853 ( 1.591 -1.702 -2.844) 3.677 5.026 ( -2.522 1.368 1.325) 3.160 5.039 ( -2.522 1.060 1.871) 3.315 5.071 ( -1.279 0.450 -0.755) 1.552 5.093 ( -1.669 -0.796 -1.124) 2.164 5.318 ( 0.252 0.954 -0.936) 1.361 5.339 ( -1.052 -1.011 0.046) 1.460 6.257 ( -0.171 0.213 0.362) 0.454 6.270 ( -0.426 -0.977 -0.504) 1.179 6.303 ( -0.904 -0.004 0.144) 0.915 6.309 ( -0.794 -0.430 -0.264) 0.941 6.726 ( -0.135 0.623 0.079) 0.642 6.739 ( -0.159 -0.513 0.093) 0.545 6.771 ( -0.740 0.540 -0.286) 0.960 6.776 ( -0.660 0.145 -0.105) 0.683 7.204 ( -1.187 0.915 -0.014) 1.499 7.224 ( -0.893 -0.914 -0.402) 1.339 7.268 ( 0.983 1.063 0.987) 1.753 7.296 ( 1.380 -1.554 0.081) 2.080 7.421 ( 0.375 0.588 -0.151) 0.714 7.429 ( 0.506 0.009 0.038) 0.508 7.472 ( 0.884 0.635 0.766) 1.331 7.500 ( 1.748 -1.946 0.290) 2.632 7.920 ( 0.364 3.596 0.162) 3.618 7.983 ( 0.635 -0.866 -0.866) 1.380 8.012 ( 0.771 1.014 0.666) 1.438 8.068 ( 0.612 -2.596 -0.417) 2.699 8.196 ( -3.536 1.637 -0.013) 3.897 8.232 ( -2.312 -1.479 -0.141) 2.748 8.304 ( -0.102 2.257 1.230) 2.572 8.341 ( -1.508 -0.865 0.988) 2.000 8.389 ( 2.015 1.238 -0.819) 2.503 8.415 ( 0.607 -0.492 -1.819) 1.979 8.522 ( -0.119 2.128 0.227) 2.143 8.551 ( 1.208 -0.891 -0.011) 1.501 8.613 ( -0.175 0.336 -0.506) 0.632 8.625 ( 0.615 -0.312 -0.451) 0.824 8.678 ( -1.320 2.037 -0.116) 2.430 8.716 ( -0.690 -0.662 0.209) 0.979 8.729 ( -0.250 3.070 -0.605) 3.139 8.778 ( 0.126 0.292 0.115) 0.339 8.784 ( 0.407 0.477 0.447) 0.770 8.795 ( -0.398 0.028 0.374) 0.547 8.825 ( 1.653 -0.319 0.236) 1.700 8.839 ( 0.753 -1.820 0.325) 1.996 8.901 ( 1.548 0.093 -0.266) 1.573 8.938 ( 2.445 1.025 -0.438) 2.687 8.948 ( -0.085 -0.921 0.618) 1.112 8.977 ( -0.418 -1.440 0.326) 1.534 9.028 ( 1.943 -2.210 -0.182) 2.948 9.062 ( 2.220 -4.284 -0.456) 4.847 9.207 ( -0.643 0.180 0.064) 0.670 9.232 ( -1.183 -1.952 -0.066) 2.284 9.305 ( 0.271 1.021 -1.836) 2.118 9.322 ( 0.526 -0.604 -1.713) 1.891 9.529 ( -0.832 2.612 3.614) 4.537 9.589 ( -1.277 -2.762 3.690) 4.783 9.661 ( 1.222 0.955 0.172) 1.561 9.675 ( 0.413 -0.431 -1.013) 1.176 9.784 ( 0.312 -0.250 -1.589) 1.639 9.807 ( -0.462 -1.661 -0.083) 1.726 9.863 ( 0.581 2.564 -1.019) 2.820 9.906 ( 0.510 -1.550 -0.693) 1.772 10.032 ( -1.018 1.023 -0.182) 1.455 10.041 ( -1.588 0.692 0.300) 1.758 10.066 ( -1.265 -0.280 0.358) 1.344 10.069 ( -1.015 -0.774 -0.620) 1.419 10.162 ( 0.862 1.005 0.118) 1.329 10.172 ( 0.453 0.157 -0.620) 0.784 10.192 ( -1.399 1.200 -0.087) 1.845 10.214 ( -0.878 -0.980 1.084) 1.705 10.415 ( 1.732 0.516 -0.521) 1.881 10.424 ( 0.868 -0.200 0.500) 1.021 10.444 ( 1.353 1.295 -0.048) 1.874 10.474 ( 0.797 -1.464 -0.140) 1.673 10.693 ( -0.587 2.590 0.203) 2.664 10.697 ( -0.183 2.138 -0.183) 2.154 10.732 ( -0.161 -1.359 -0.165) 1.378 10.743 ( -0.653 -2.179 0.062) 2.275 ======================= Grid point 55 (33/45) ======================= q-point: (-0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.628 ( -3.191 8.328 0.384) 8.926 0.774 ( -0.309 -5.214 -3.884) 6.509 0.791 ( -3.024 8.956 3.549) 10.097 0.934 ( 1.826 -3.081 -0.886) 3.689 0.959 ( 0.325 -1.245 0.035) 1.287 0.978 ( 0.479 -1.831 -3.250) 3.761 1.100 ( 0.442 2.544 4.120) 4.863 1.113 ( -0.501 2.659 -5.389) 6.030 1.152 ( -1.906 1.494 0.046) 2.422 1.203 ( 0.595 -2.975 -1.864) 3.561 1.257 ( 0.856 1.791 -0.823) 2.149 1.283 ( -0.096 -0.015 0.467) 0.477 1.291 ( -1.215 0.874 1.263) 1.958 1.350 ( -0.199 -2.951 2.619) 3.951 1.367 ( 2.045 -4.546 1.158) 5.117 1.404 ( 1.609 -4.924 -0.661) 5.222 1.419 ( 0.691 -2.545 4.208) 4.966 1.442 ( 1.082 -2.059 2.663) 3.536 1.506 ( -1.033 2.179 0.484) 2.460 1.519 ( -2.766 -1.192 -2.380) 3.839 1.553 ( 0.093 0.307 -0.185) 0.370 1.572 ( -1.539 -1.026 -0.358) 1.884 1.616 ( -2.917 -1.067 -0.644) 3.172 1.628 ( -1.266 -1.683 0.682) 2.213 1.645 ( -0.219 3.557 2.891) 4.589 1.679 ( -0.573 -0.079 1.948) 2.033 1.691 ( -0.946 -0.863 1.622) 2.066 1.726 ( 0.216 -0.504 0.698) 0.888 1.749 ( 1.424 -0.883 0.022) 1.676 1.791 ( -0.706 -1.935 -1.838) 2.760 1.813 ( 3.093 2.222 -1.996) 4.300 1.865 ( -0.329 -1.153 -0.049) 1.200 1.918 ( 3.176 3.532 2.515) 5.374 1.925 ( 2.811 4.840 -2.104) 5.980 1.974 ( -0.432 1.269 1.305) 1.871 1.989 ( 1.650 -0.269 2.046) 2.642 1.999 ( -0.640 -0.379 2.251) 2.370 2.021 ( -0.536 -0.191 0.093) 0.577 2.028 ( 1.114 -0.463 -0.549) 1.326 2.041 ( 3.563 -2.416 0.639) 4.352 2.077 ( -0.927 4.512 4.487) 6.430 2.136 ( -1.199 1.480 -0.048) 1.906 2.148 ( 1.128 -2.926 -0.668) 3.207 2.189 ( 0.138 -1.743 1.934) 2.607 2.243 ( -0.993 0.854 -1.195) 1.773 2.273 ( 2.239 -0.410 -3.654) 4.305 2.315 ( 0.884 0.671 -0.883) 1.418 2.332 ( -1.908 0.959 -0.823) 2.288 2.369 ( -2.199 0.733 -0.880) 2.480 2.387 ( -2.564 0.329 -1.260) 2.875 2.449 ( -1.245 5.054 1.638) 5.457 2.500 ( -0.874 1.057 -1.254) 1.858 2.550 ( -0.877 1.349 0.802) 1.798 2.580 ( -1.929 -0.363 -0.007) 1.963 2.614 ( -0.659 0.149 0.594) 0.899 2.666 ( 0.482 -1.764 0.112) 1.832 2.687 ( -1.741 2.160 2.760) 3.913 2.722 ( -1.714 0.364 1.629) 2.393 2.761 ( 0.078 1.187 -1.817) 2.171 2.823 ( 0.300 -1.546 -2.601) 3.041 2.839 ( -1.061 -0.953 -1.329) 1.949 2.850 ( -1.635 -4.956 -2.506) 5.789 2.993 ( 0.484 5.657 -0.494) 5.699 3.036 ( -1.123 2.623 0.490) 2.895 3.105 ( -0.656 -0.473 1.830) 2.001 3.158 ( 0.475 -2.136 -0.576) 2.262 3.198 ( -1.576 0.041 -1.699) 2.317 3.228 ( -0.341 -0.220 -1.697) 1.745 3.295 ( -1.208 2.082 0.670) 2.498 3.387 ( -1.448 -5.434 -1.536) 5.829 3.496 ( -0.300 0.567 3.052) 3.118 3.532 ( 0.343 -2.146 -0.727) 2.291 3.648 ( 1.206 -1.185 0.326) 1.723 3.660 ( 0.778 -1.587 -1.125) 2.095 3.797 ( 1.610 1.830 -2.097) 3.215 3.831 ( 1.217 -0.975 -3.247) 3.602 3.915 ( 1.160 0.214 1.351) 1.793 3.919 ( 1.199 -0.357 2.326) 2.641 3.994 ( -0.201 1.521 -0.775) 1.719 4.035 ( -0.433 -2.239 -0.928) 2.462 4.271 ( 3.771 3.048 2.751) 5.575 4.331 ( 2.722 -2.257 2.212) 4.171 4.414 ( -1.070 2.842 -2.527) 3.951 4.475 ( -1.089 -2.984 -2.904) 4.304 4.629 ( 1.402 1.052 0.891) 1.967 4.654 ( -0.430 -1.179 1.038) 1.628 4.726 ( -1.632 1.161 1.636) 2.586 4.738 ( -2.129 0.172 2.713) 3.453 4.826 ( -0.236 1.371 -2.154) 2.564 4.866 ( -0.671 -1.858 -2.437) 3.137 4.973 ( -2.561 0.544 2.724) 3.778 4.984 ( -1.536 -0.259 0.687) 1.702 5.047 ( -1.512 0.865 -0.345) 1.776 5.052 ( -2.453 0.314 0.013) 2.473 5.327 ( -0.185 0.199 -0.098) 0.289 5.332 ( 0.890 -0.297 -1.208) 1.530 6.249 ( -0.641 -0.130 0.599) 0.887 6.259 ( -0.634 -1.003 -0.189) 1.202 6.286 ( -0.732 0.242 -0.175) 0.791 6.298 ( -0.345 -0.710 -0.885) 1.185 6.725 ( 0.009 0.773 0.038) 0.774 6.734 ( -0.206 -0.178 -0.034) 0.274 6.756 ( -0.677 0.872 -0.239) 1.130 6.763 ( -0.657 0.214 -0.023) 0.691 7.187 ( -0.633 1.289 0.116) 1.441 7.210 ( -0.565 -0.819 -0.660) 1.194 7.286 ( 0.790 1.116 1.478) 2.014 7.319 ( 0.914 -1.901 0.071) 2.110 7.430 ( 0.531 0.807 -0.031) 0.967 7.440 ( 0.582 0.221 0.291) 0.687 7.488 ( 0.708 0.579 1.052) 1.395 7.529 ( 1.074 -3.015 0.179) 3.206 7.933 ( 1.115 3.663 -0.246) 3.837 7.991 ( 0.050 -1.285 -0.350) 1.333 8.032 ( 1.042 2.691 0.540) 2.935 8.073 ( -0.263 -0.964 -0.164) 1.012 8.118 ( -3.483 0.647 0.139) 3.545 8.172 ( -3.441 -3.631 -0.263) 5.009 8.318 ( 1.512 1.255 0.035) 1.965 8.333 ( 0.713 0.066 0.074) 0.720 8.428 ( 1.695 1.686 0.200) 2.399 8.448 ( 2.003 0.322 -0.461) 2.080 8.508 ( -1.170 2.877 0.546) 3.154 8.559 ( -0.404 -1.984 0.237) 2.039 8.619 ( 0.397 1.505 -1.612) 2.241 8.643 ( -0.024 0.233 -1.650) 1.666 8.657 ( 0.154 0.677 0.026) 0.695 8.698 ( -0.570 -0.568 -0.666) 1.044 8.738 ( 0.923 1.631 -0.389) 1.914 8.770 ( -0.803 -0.799 0.591) 1.278 8.787 ( -0.165 0.270 0.118) 0.337 8.789 ( -0.199 0.289 -0.012) 0.351 8.842 ( 0.581 0.044 0.327) 0.669 8.860 ( 0.999 -1.286 0.550) 1.719 8.927 ( 0.940 0.099 0.306) 0.994 8.946 ( -0.016 -0.959 0.463) 1.065 8.972 ( -0.055 1.197 0.279) 1.230 8.986 ( 2.211 1.485 -0.465) 2.704 9.069 ( 1.886 -3.202 0.091) 3.717 9.091 ( 0.828 -3.713 -0.437) 3.829 9.201 ( -0.060 -1.111 -0.395) 1.180 9.209 ( -0.801 -1.857 -0.354) 2.053 9.309 ( 0.069 1.041 -1.575) 1.889 9.328 ( 0.066 -0.875 -1.200) 1.486 9.516 ( -0.369 2.148 3.823) 4.401 9.568 ( -0.688 -2.641 3.742) 4.632 9.672 ( -0.062 1.399 -0.721) 1.575 9.693 ( 1.333 -0.743 -0.411) 1.581 9.792 ( 0.240 -0.623 -1.635) 1.766 9.803 ( 0.217 -1.136 0.814) 1.415 9.873 ( 0.409 2.714 -1.355) 3.061 9.911 ( 0.052 -1.045 -1.080) 1.504 10.011 ( -1.140 1.195 -0.201) 1.663 10.014 ( -0.903 0.530 0.200) 1.066 10.037 ( -1.534 -0.507 0.271) 1.638 10.048 ( -1.047 -1.237 -0.859) 1.834 10.164 ( -1.005 1.050 -0.686) 1.608 10.172 ( -0.433 0.472 -1.003) 1.190 10.186 ( 0.967 0.758 0.914) 1.532 10.203 ( -0.010 -0.767 1.538) 1.719 10.437 ( 0.424 0.880 0.595) 1.144 10.449 ( 1.499 -0.315 -0.671) 1.672 10.471 ( 1.272 0.519 -0.082) 1.376 10.488 ( 0.683 -1.084 -0.088) 1.284 10.679 ( -0.721 2.339 0.463) 2.491 10.693 ( -0.097 2.137 -0.326) 2.164 10.727 ( -0.790 -1.948 0.268) 2.120 10.732 ( 0.037 -1.449 -0.463) 1.522 ======================= Grid point 70 (34/45) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( 0.085 0.000 -7.257) 7.257 0.582 ( -0.085 0.000 7.257) 7.257 0.694 ( 2.110 0.000 -9.436) 9.669 0.694 ( -2.110 0.000 9.436) 9.669 1.015 ( -2.343 0.000 -2.178) 3.199 1.015 ( 2.343 0.000 2.178) 3.199 1.073 ( -1.277 0.000 -2.635) 2.929 1.073 ( 1.277 0.000 2.635) 2.929 1.221 ( 0.078 0.000 -4.293) 4.294 1.221 ( -0.078 0.000 4.293) 4.294 1.302 ( 0.401 0.000 -1.109) 1.179 1.302 ( -0.401 0.000 1.109) 1.179 1.374 ( -4.789 0.000 -9.038) 10.229 1.374 ( 4.789 0.000 9.038) 10.229 1.452 ( 3.992 0.000 -1.936) 4.437 1.452 ( -3.992 0.000 1.936) 4.437 1.480 ( -0.277 0.000 -3.472) 3.483 1.480 ( 0.277 0.000 3.472) 3.483 1.565 ( 0.737 0.000 -0.574) 0.934 1.565 ( -0.737 0.000 0.574) 0.934 1.566 ( 0.185 0.000 -0.505) 0.538 1.566 ( -0.185 0.000 0.505) 0.538 1.659 ( -0.766 0.000 -1.544) 1.724 1.659 ( 0.766 0.000 1.544) 1.724 1.685 ( -2.027 0.000 0.155) 2.033 1.685 ( 2.027 0.000 -0.155) 2.033 1.711 ( -0.927 0.000 -1.147) 1.475 1.711 ( 0.927 0.000 1.147) 1.475 1.734 ( 1.344 0.000 -2.135) 2.523 1.734 ( -1.344 0.000 2.135) 2.523 1.805 ( -0.119 0.000 -0.810) 0.819 1.805 ( 0.119 0.000 0.810) 0.819 1.854 ( 1.618 0.000 -4.230) 4.529 1.854 ( -1.618 0.000 4.230) 4.529 1.935 ( -2.513 0.000 -0.443) 2.551 1.935 ( 2.513 0.000 0.443) 2.551 1.989 ( 3.338 0.000 -2.186) 3.990 1.989 ( -3.338 0.000 2.186) 3.990 2.074 ( 1.901 0.000 -1.889) 2.680 2.074 ( -1.901 0.000 1.889) 2.680 2.148 ( 0.445 0.000 -3.822) 3.848 2.148 ( -0.445 0.000 3.822) 3.848 2.163 ( 1.724 0.000 -2.807) 3.294 2.163 ( -1.724 0.000 2.807) 3.294 2.247 ( -0.139 0.000 -2.975) 2.979 2.247 ( 0.139 0.000 2.975) 2.979 2.272 ( -2.049 0.000 -1.292) 2.423 2.272 ( 2.049 0.000 1.292) 2.423 2.354 ( -2.792 0.000 -0.549) 2.845 2.354 ( 2.792 0.000 0.549) 2.845 2.447 ( -1.287 0.000 -2.217) 2.564 2.447 ( 1.287 0.000 2.217) 2.564 2.520 ( 0.500 0.000 -2.301) 2.355 2.520 ( -0.500 0.000 2.301) 2.355 2.552 ( 0.154 0.000 -0.114) 0.192 2.552 ( -0.154 0.000 0.114) 0.192 2.673 ( 2.187 0.000 -1.024) 2.414 2.673 ( -2.187 0.000 1.024) 2.414 2.767 ( 1.004 0.000 -0.488) 1.116 2.767 ( -1.004 0.000 0.488) 1.116 2.887 ( 0.898 0.000 -0.752) 1.171 2.887 ( -0.898 0.000 0.752) 1.171 2.953 ( -3.383 0.000 0.374) 3.403 2.953 ( 3.383 0.000 -0.374) 3.403 3.124 ( -0.231 0.000 -2.979) 2.988 3.124 ( 0.231 0.000 2.979) 2.988 3.265 ( -2.105 0.000 -2.762) 3.473 3.265 ( 2.105 0.000 2.762) 3.473 3.342 ( 1.929 0.000 -6.222) 6.514 3.342 ( -1.929 0.000 6.222) 6.514 3.604 ( -0.430 0.000 -1.460) 1.522 3.604 ( 0.430 0.000 1.460) 1.522 3.651 ( 2.888 0.000 -6.712) 7.307 3.651 ( -2.888 0.000 6.712) 7.307 3.794 ( 0.901 0.000 -1.511) 1.759 3.794 ( -0.901 0.000 1.511) 1.759 3.964 ( 0.004 0.000 -0.182) 0.182 3.964 ( -0.004 0.000 0.182) 0.182 4.053 ( -0.355 0.000 -2.381) 2.407 4.053 ( 0.355 0.000 2.381) 2.407 4.281 ( 5.858 0.000 -2.671) 6.438 4.281 ( -5.858 0.000 2.671) 6.438 4.471 ( -2.854 0.000 -1.795) 3.372 4.471 ( 2.854 0.000 1.795) 3.372 4.586 ( 2.053 0.000 -5.954) 6.297 4.586 ( -2.053 0.000 5.954) 6.297 4.735 ( -4.232 0.000 -0.427) 4.253 4.735 ( 4.232 0.000 0.427) 4.253 4.838 ( 2.467 0.000 -1.103) 2.702 4.838 ( -2.467 0.000 1.103) 2.702 4.990 ( 1.631 0.000 -1.724) 2.373 4.990 ( -1.631 0.000 1.724) 2.373 5.005 ( 3.251 0.000 -2.917) 4.368 5.005 ( -3.251 0.000 2.917) 4.368 5.322 ( 1.826 0.000 -2.126) 2.803 5.322 ( -1.826 0.000 2.126) 2.803 6.259 ( 0.549 0.000 -0.236) 0.598 6.259 ( -0.549 0.000 0.236) 0.598 6.293 ( -0.486 0.000 -0.833) 0.964 6.293 ( 0.486 0.000 0.833) 0.964 6.689 ( 0.064 0.000 -0.211) 0.221 6.689 ( -0.064 0.000 0.211) 0.221 6.726 ( -0.613 0.000 -0.218) 0.650 6.726 ( 0.613 0.000 0.218) 0.650 7.171 ( 0.092 0.000 -1.816) 1.818 7.171 ( -0.092 0.000 1.816) 1.818 7.353 ( -0.236 0.000 -1.174) 1.197 7.353 ( 0.236 0.000 1.174) 1.197 7.419 ( -0.821 0.000 0.202) 0.845 7.419 ( 0.821 0.000 -0.202) 0.845 7.660 ( -3.340 0.000 0.670) 3.406 7.660 ( 3.340 0.000 -0.670) 3.406 7.879 ( -4.852 0.000 -0.652) 4.895 7.879 ( 4.852 0.000 0.652) 4.895 7.993 ( -1.606 0.000 -0.887) 1.835 7.993 ( 1.606 0.000 0.887) 1.835 8.208 ( 1.078 0.000 -0.650) 1.258 8.208 ( -1.078 0.000 0.650) 1.258 8.327 ( 0.566 0.000 -1.759) 1.848 8.327 ( -0.566 0.000 1.759) 1.848 8.351 ( 0.353 0.000 -0.516) 0.625 8.351 ( -0.353 0.000 0.516) 0.625 8.395 ( -2.685 0.000 -0.336) 2.706 8.395 ( 2.685 0.000 0.336) 2.706 8.636 ( 1.580 0.000 -2.222) 2.726 8.636 ( -1.580 0.000 2.222) 2.726 8.670 ( -1.010 0.000 -0.698) 1.228 8.670 ( 1.010 0.000 0.698) 1.228 8.742 ( -0.461 0.000 -2.234) 2.281 8.742 ( 0.461 0.000 2.234) 2.281 8.772 ( -0.774 0.000 0.016) 0.774 8.772 ( 0.774 0.000 -0.016) 0.774 8.867 ( 1.092 0.000 -1.130) 1.572 8.867 ( -1.092 0.000 1.130) 1.572 8.904 ( -1.512 0.000 0.429) 1.572 8.904 ( 1.512 0.000 -0.429) 1.572 9.025 ( -0.621 0.000 -0.303) 0.691 9.025 ( 0.621 0.000 0.303) 0.691 9.204 ( -1.548 0.000 -0.750) 1.720 9.204 ( 1.548 0.000 0.750) 1.720 9.289 ( 0.737 0.000 -0.453) 0.865 9.289 ( -0.737 0.000 0.453) 0.865 9.328 ( -1.058 0.000 -2.150) 2.396 9.328 ( 1.058 0.000 2.150) 2.396 9.572 ( -0.021 0.000 -1.740) 1.740 9.572 ( 0.021 0.000 1.740) 1.740 9.745 ( 0.408 0.000 -0.719) 0.827 9.745 ( -0.408 0.000 0.719) 0.827 9.766 ( 0.393 0.000 -2.072) 2.109 9.766 ( -0.393 0.000 2.072) 2.109 9.872 ( -0.267 0.000 -0.629) 0.683 9.872 ( 0.267 0.000 0.629) 0.683 9.991 ( -0.394 0.000 -1.649) 1.696 9.991 ( 0.394 0.000 1.649) 1.696 10.057 ( 0.045 0.000 -1.174) 1.174 10.057 ( -0.045 0.000 1.174) 1.174 10.109 ( -0.482 0.000 -0.863) 0.988 10.109 ( 0.482 0.000 0.863) 0.988 10.186 ( -1.727 0.000 0.178) 1.736 10.186 ( 1.727 0.000 -0.178) 1.736 10.441 ( 0.591 0.000 -1.863) 1.955 10.441 ( -0.591 0.000 1.863) 1.955 10.518 ( -0.155 0.000 -0.948) 0.961 10.518 ( 0.155 0.000 0.948) 0.961 10.612 ( 0.102 0.000 -0.054) 0.115 10.612 ( -0.102 0.000 0.054) 0.115 10.759 ( -0.387 0.000 -0.113) 0.403 10.759 ( 0.387 0.000 0.113) 0.403 ======================= Grid point 72 (35/45) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 3.339 0.000 7.351) 8.074 0.687 ( 8.747 0.000 -0.336) 8.754 0.773 ( 9.420 0.000 -5.038) 10.683 0.835 ( 10.160 0.000 -5.535) 11.570 0.962 ( -1.519 0.000 2.864) 3.242 0.989 ( -3.572 0.000 0.769) 3.654 1.048 ( -3.780 0.000 -0.319) 3.793 1.064 ( 0.624 0.000 0.594) 0.862 1.236 ( 1.480 0.000 0.640) 1.612 1.243 ( 2.356 0.000 -3.981) 4.626 1.296 ( -0.055 0.000 1.832) 1.833 1.303 ( 0.574 0.000 2.911) 2.967 1.358 ( 1.180 0.000 -3.211) 3.421 1.410 ( -0.800 0.000 1.045) 1.316 1.446 ( -2.188 0.000 -0.095) 2.190 1.493 ( 4.896 0.000 3.497) 6.016 1.496 ( 3.664 0.000 -7.506) 8.353 1.551 ( 2.781 0.000 -1.686) 3.252 1.557 ( 0.070 0.000 -0.392) 0.398 1.580 ( 3.376 0.000 7.392) 8.126 1.603 ( 0.684 0.000 -0.337) 0.763 1.606 ( 5.165 0.000 0.100) 5.166 1.642 ( 0.055 0.000 -2.322) 2.322 1.645 ( -1.543 0.000 -0.504) 1.623 1.659 ( -0.957 0.000 4.119) 4.229 1.690 ( -1.230 0.000 4.552) 4.716 1.692 ( 0.240 0.000 -1.951) 1.966 1.728 ( 1.158 0.000 -0.275) 1.190 1.740 ( -1.187 0.000 -3.870) 4.048 1.742 ( -0.301 0.000 0.317) 0.437 1.802 ( 0.549 0.000 -0.903) 1.057 1.803 ( -0.531 0.000 -1.337) 1.438 1.860 ( 2.107 0.000 3.741) 4.294 1.872 ( -2.330 0.000 -0.373) 2.359 1.893 ( 1.453 0.000 -1.934) 2.419 1.900 ( -2.654 0.000 0.721) 2.750 2.004 ( 1.711 0.000 1.721) 2.426 2.026 ( -2.095 0.000 1.193) 2.411 2.063 ( 3.249 0.000 -2.077) 3.856 2.069 ( -2.957 0.000 1.209) 3.194 2.103 ( -3.318 0.000 2.606) 4.219 2.131 ( -0.969 0.000 1.109) 1.473 2.137 ( -0.704 0.000 -1.970) 2.092 2.167 ( -1.584 0.000 -3.107) 3.488 2.221 ( -1.781 0.000 -6.470) 6.711 2.249 ( -0.838 0.000 1.814) 1.998 2.269 ( 0.651 0.000 -0.658) 0.925 2.286 ( -2.440 0.000 0.496) 2.490 2.337 ( 3.163 0.000 2.268) 3.892 2.390 ( 0.838 0.000 2.056) 2.220 2.429 ( -0.494 0.000 -3.575) 3.609 2.478 ( 1.539 0.000 2.123) 2.622 2.528 ( 0.859 0.000 2.042) 2.215 2.533 ( -1.411 0.000 -1.177) 1.837 2.541 ( -0.748 0.000 0.358) 0.829 2.557 ( 2.822 0.000 -1.289) 3.102 2.631 ( -2.123 0.000 1.719) 2.732 2.717 ( 1.950 0.000 -1.041) 2.211 2.742 ( -1.194 0.000 -0.655) 1.362 2.770 ( -0.255 0.000 0.016) 0.255 2.866 ( -2.560 0.000 3.944) 4.702 2.881 ( 0.137 0.000 1.915) 1.920 2.954 ( 2.490 0.000 -4.558) 5.194 3.036 ( 4.674 0.000 -2.540) 5.319 3.124 ( -0.467 0.000 3.595) 3.625 3.125 ( 0.268 0.000 -2.361) 2.376 3.223 ( -1.634 0.000 -3.316) 3.697 3.266 ( -1.785 0.000 2.052) 2.720 3.345 ( 2.325 0.000 6.095) 6.523 3.387 ( 2.544 0.000 -5.896) 6.421 3.549 ( -4.139 0.000 5.388) 6.794 3.597 ( -0.821 0.000 1.662) 1.853 3.648 ( 1.148 0.000 0.085) 1.151 3.704 ( 1.104 0.000 -3.712) 3.873 3.776 ( -0.648 0.000 -0.004) 0.648 3.802 ( -0.071 0.000 -1.479) 1.481 3.962 ( -0.257 0.000 0.338) 0.424 3.963 ( -0.026 0.000 0.197) 0.199 4.039 ( -0.892 0.000 -2.639) 2.786 4.051 ( -0.541 0.000 1.798) 1.877 4.190 ( -2.879 0.000 1.459) 3.227 4.365 ( 0.759 0.000 -4.153) 4.222 4.449 ( 2.413 0.000 -0.078) 2.415 4.524 ( 1.978 0.000 1.640) 2.570 4.542 ( -2.266 0.000 6.453) 6.840 4.578 ( -2.487 0.000 -2.859) 3.789 4.722 ( 2.695 0.000 -2.076) 3.402 4.790 ( -2.475 0.000 -0.311) 2.495 4.837 ( 5.536 0.000 0.441) 5.553 4.883 ( 1.942 0.000 -2.382) 3.073 4.936 ( -3.348 0.000 2.135) 3.971 4.968 ( -0.189 0.000 2.359) 2.366 5.029 ( 2.145 0.000 -0.382) 2.179 5.062 ( 2.445 0.000 -2.039) 3.184 5.289 ( -1.530 0.000 1.992) 2.512 5.356 ( 1.618 0.000 -1.473) 2.188 6.261 ( 0.478 0.000 0.814) 0.944 6.278 ( 0.793 0.000 -0.588) 0.988 6.292 ( 0.554 0.000 -1.083) 1.217 6.308 ( 0.961 0.000 0.776) 1.235 6.701 ( 1.118 0.000 0.185) 1.134 6.704 ( 1.284 0.000 -0.159) 1.294 6.726 ( 0.563 0.000 0.151) 0.583 6.746 ( 1.265 0.000 -0.197) 1.281 7.179 ( 0.686 0.000 -1.454) 1.607 7.179 ( 0.943 0.000 1.605) 1.861 7.338 ( -1.246 0.000 -1.694) 2.103 7.345 ( -1.046 0.000 1.494) 1.824 7.401 ( -0.793 0.000 0.463) 0.918 7.426 ( -0.015 0.000 -0.441) 0.441 7.572 ( -4.416 0.000 -2.157) 4.915 7.640 ( -4.206 0.000 0.362) 4.222 7.848 ( 0.921 0.000 -2.083) 2.278 7.914 ( -1.487 0.000 1.579) 2.169 8.038 ( 2.398 0.000 0.988) 2.594 8.042 ( 5.407 0.000 0.254) 5.413 8.185 ( -0.948 0.000 -0.078) 0.951 8.214 ( -0.302 0.000 -0.976) 1.022 8.315 ( -0.918 0.000 3.306) 3.431 8.330 ( -1.049 0.000 -3.080) 3.254 8.349 ( 0.024 0.000 0.327) 0.328 8.355 ( -0.238 0.000 0.874) 0.906 8.403 ( 4.534 0.000 -0.857) 4.614 8.472 ( 5.249 0.000 2.160) 5.676 8.601 ( -1.931 0.000 2.457) 3.125 8.651 ( -0.188 0.000 -1.889) 1.898 8.655 ( -0.717 0.000 -0.349) 0.797 8.686 ( -0.146 0.000 -0.185) 0.236 8.712 ( -2.136 0.000 0.096) 2.138 8.723 ( -0.771 0.000 -1.950) 2.097 8.781 ( 0.454 0.000 2.658) 2.696 8.790 ( 0.516 0.000 -1.011) 1.135 8.836 ( -1.921 0.000 1.843) 2.662 8.876 ( -0.315 0.000 -0.650) 0.723 8.885 ( 0.243 0.000 -0.119) 0.271 8.934 ( 1.590 0.000 -0.655) 1.720 9.015 ( -0.520 0.000 -0.592) 0.788 9.039 ( 0.749 0.000 0.125) 0.759 9.171 ( -1.631 0.000 -1.407) 2.154 9.218 ( -0.161 0.000 0.931) 0.945 9.261 ( -1.972 0.000 0.341) 2.001 9.293 ( -0.249 0.000 0.080) 0.261 9.308 ( -1.011 0.000 -2.366) 2.573 9.336 ( -0.475 0.000 1.844) 1.905 9.568 ( -0.385 0.000 -3.065) 3.089 9.573 ( 0.218 0.000 0.996) 1.019 9.697 ( -3.327 0.000 2.262) 4.023 9.730 ( -1.039 0.000 -4.544) 4.662 9.790 ( 1.791 0.000 2.068) 2.735 9.791 ( 1.434 0.000 1.578) 2.132 9.867 ( -0.086 0.000 -0.493) 0.500 9.874 ( -0.011 0.000 0.792) 0.792 9.990 ( 0.380 0.000 -1.531) 1.577 10.003 ( 0.816 0.000 1.269) 1.509 10.061 ( 0.535 0.000 1.817) 1.894 10.063 ( 0.710 0.000 -0.597) 0.927 10.107 ( 0.270 0.000 -0.895) 0.935 10.122 ( 0.734 0.000 0.864) 1.134 10.160 ( -0.871 0.000 -0.492) 1.001 10.219 ( 1.585 0.000 -0.369) 1.627 10.416 ( -1.932 0.000 1.896) 2.707 10.436 ( -0.991 0.000 -1.176) 1.538 10.506 ( -1.033 0.000 -1.220) 1.599 10.515 ( -0.425 0.000 0.938) 1.030 10.615 ( 0.281 0.000 -0.307) 0.417 10.617 ( 0.252 0.000 0.067) 0.261 10.756 ( 0.132 0.000 -0.208) 0.246 10.770 ( 0.751 0.000 0.326) 0.819 ======================= Grid point 74 (36/45) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.683 ( 0.447 0.000 5.031) 5.051 0.835 ( 2.123 0.000 2.114) 2.996 0.898 ( 1.785 0.000 -6.885) 7.113 0.900 ( 0.611 0.000 -0.615) 0.867 0.968 ( -1.030 0.000 -2.447) 2.654 0.988 ( 6.064 0.000 -5.664) 8.298 1.081 ( 8.222 0.000 5.296) 9.780 1.096 ( 2.360 0.000 1.159) 2.629 1.248 ( -0.510 0.000 2.382) 2.436 1.285 ( 1.326 0.000 0.431) 1.394 1.329 ( 1.728 0.000 0.387) 1.771 1.331 ( 3.197 0.000 0.314) 3.212 1.388 ( 0.016 0.000 0.964) 0.964 1.392 ( 2.213 0.000 -0.562) 2.284 1.422 ( 0.079 0.000 -1.696) 1.698 1.516 ( 0.147 0.000 -0.926) 0.938 1.526 ( -3.719 0.000 0.160) 3.723 1.562 ( -3.946 0.000 4.166) 5.739 1.590 ( 1.619 0.000 -1.149) 1.985 1.599 ( -1.383 0.000 -0.019) 1.384 1.623 ( 2.008 0.000 -1.122) 2.301 1.626 ( 1.720 0.000 1.545) 2.312 1.646 ( -0.200 0.000 4.227) 4.232 1.661 ( 1.847 0.000 -2.079) 2.781 1.680 ( -0.969 0.000 -9.351) 9.401 1.706 ( 1.841 0.000 3.458) 3.917 1.725 ( 4.083 0.000 -0.229) 4.090 1.739 ( 1.638 0.000 1.187) 2.023 1.745 ( 0.419 0.000 -0.952) 1.040 1.761 ( 2.410 0.000 -2.978) 3.831 1.789 ( 0.088 0.000 -0.745) 0.750 1.789 ( -1.270 0.000 0.410) 1.334 1.836 ( -1.267 0.000 1.849) 2.241 1.895 ( 1.713 0.000 1.695) 2.410 1.921 ( 0.765 0.000 -0.904) 1.185 1.930 ( 2.150 0.000 1.504) 2.623 1.983 ( -0.952 0.000 3.777) 3.895 1.997 ( -4.115 0.000 2.127) 4.633 1.998 ( -0.964 0.000 -1.229) 1.562 2.072 ( -2.762 0.000 -1.522) 3.153 2.097 ( 4.082 0.000 5.136) 6.561 2.110 ( -3.471 0.000 -2.238) 4.130 2.114 ( -1.253 0.000 0.485) 1.343 2.140 ( 0.073 0.000 -1.217) 1.220 2.196 ( -3.670 0.000 1.294) 3.892 2.242 ( 5.247 0.000 -11.656) 12.783 2.252 ( -1.214 0.000 0.506) 1.315 2.275 ( 0.384 0.000 -1.220) 1.279 2.382 ( -1.513 0.000 3.177) 3.518 2.400 ( 2.486 0.000 3.760) 4.508 2.442 ( 1.889 0.000 -3.858) 4.295 2.475 ( -1.735 0.000 1.720) 2.443 2.508 ( -0.800 0.000 -3.446) 3.538 2.537 ( 0.630 0.000 1.524) 1.649 2.548 ( 0.785 0.000 2.346) 2.474 2.610 ( 2.269 0.000 -1.702) 2.837 2.621 ( 1.488 0.000 0.631) 1.616 2.686 ( -4.045 0.000 2.102) 4.559 2.741 ( 1.662 0.000 -1.071) 1.977 2.793 ( -1.491 0.000 -0.755) 1.671 2.843 ( 3.189 0.000 2.260) 3.909 2.873 ( -1.226 0.000 1.986) 2.334 3.010 ( 3.126 0.000 -5.200) 6.068 3.089 ( -2.349 0.000 4.010) 4.647 3.106 ( -2.705 0.000 0.197) 2.712 3.114 ( 2.032 0.000 -2.824) 3.479 3.223 ( 1.787 0.000 -1.789) 2.529 3.251 ( 0.782 0.000 0.815) 1.129 3.398 ( 2.483 0.000 6.070) 6.559 3.421 ( 0.256 0.000 -4.772) 4.779 3.467 ( -3.975 0.000 3.427) 5.248 3.572 ( -1.426 0.000 0.210) 1.441 3.658 ( -0.393 0.000 -0.338) 0.518 3.683 ( -2.837 0.000 -2.817) 3.998 3.762 ( -0.865 0.000 1.557) 1.781 3.793 ( -0.781 0.000 -1.220) 1.449 3.960 ( 0.207 0.000 0.927) 0.950 3.967 ( 0.183 0.000 0.897) 0.916 4.027 ( -0.270 0.000 -2.285) 2.301 4.040 ( -0.365 0.000 1.220) 1.273 4.190 ( 2.764 0.000 -1.220) 3.021 4.347 ( -0.903 0.000 -3.361) 3.480 4.483 ( -4.309 0.000 -0.850) 4.392 4.486 ( -3.464 0.000 6.212) 7.112 4.528 ( 3.617 0.000 -0.892) 3.726 4.588 ( 1.752 0.000 0.486) 1.818 4.750 ( -1.509 0.000 -1.086) 1.859 4.784 ( 2.576 0.000 -0.345) 2.599 4.853 ( -2.679 0.000 0.266) 2.693 4.909 ( 1.396 0.000 2.014) 2.450 4.944 ( 2.659 0.000 -4.080) 4.870 5.000 ( 3.304 0.000 1.690) 3.712 5.070 ( 1.993 0.000 0.697) 2.112 5.092 ( 0.647 0.000 0.202) 0.678 5.273 ( 0.271 0.000 0.017) 0.272 5.376 ( 0.204 0.000 -0.439) 0.484 6.269 ( 0.303 0.000 1.279) 1.315 6.281 ( -0.101 0.000 -1.007) 1.012 6.311 ( 1.034 0.000 -0.884) 1.360 6.325 ( 0.721 0.000 0.648) 0.969 6.721 ( 0.836 0.000 -0.340) 0.902 6.728 ( 1.038 0.000 -0.015) 1.039 6.747 ( 1.513 0.000 0.812) 1.717 6.768 ( 1.019 0.000 -0.496) 1.133 7.197 ( 1.234 0.000 -0.639) 1.390 7.205 ( 1.598 0.000 1.092) 1.935 7.309 ( -1.659 0.000 -1.713) 2.385 7.317 ( -1.654 0.000 1.421) 2.181 7.395 ( 0.269 0.000 0.828) 0.870 7.424 ( -0.083 0.000 -0.783) 0.787 7.506 ( -2.533 0.000 -1.671) 3.035 7.559 ( -3.961 0.000 0.929) 4.068 7.860 ( 0.015 0.000 -2.725) 2.725 7.880 ( -1.674 0.000 1.686) 2.376 8.074 ( 1.331 0.000 1.616) 2.094 8.108 ( 0.887 0.000 -0.964) 1.310 8.191 ( 1.912 0.000 0.705) 2.038 8.208 ( -0.041 0.000 -0.717) 0.718 8.300 ( -0.461 0.000 2.611) 2.652 8.312 ( -0.182 0.000 -3.841) 3.845 8.352 ( 0.256 0.000 0.764) 0.806 8.362 ( 0.541 0.000 1.497) 1.592 8.495 ( 3.188 0.000 -2.203) 3.875 8.574 ( 0.300 0.000 1.185) 1.222 8.575 ( 4.503 0.000 3.576) 5.750 8.619 ( -2.927 0.000 -1.174) 3.154 8.638 ( -0.870 0.000 1.027) 1.346 8.645 ( -1.634 0.000 -1.047) 1.940 8.708 ( 0.311 0.000 -1.529) 1.560 8.723 ( 0.717 0.000 -1.322) 1.504 8.771 ( -1.345 0.000 2.831) 3.134 8.779 ( -1.616 0.000 -2.537) 3.008 8.813 ( -0.201 0.000 2.689) 2.696 8.874 ( 0.364 0.000 0.866) 0.939 8.905 ( 1.483 0.000 -1.107) 1.851 8.966 ( 1.805 0.000 -0.652) 1.919 8.999 ( -1.178 0.000 -1.013) 1.554 9.047 ( 0.030 0.000 -0.156) 0.159 9.136 ( -2.276 0.000 -0.499) 2.331 9.199 ( -1.833 0.000 1.381) 2.295 9.235 ( -0.291 0.000 -0.076) 0.300 9.281 ( -0.931 0.000 0.750) 1.195 9.288 ( -1.015 0.000 -2.542) 2.737 9.313 ( -1.691 0.000 1.475) 2.244 9.561 ( -0.120 0.000 -3.473) 3.475 9.584 ( 0.967 0.000 1.242) 1.574 9.641 ( -2.332 0.000 4.157) 4.767 9.706 ( -1.570 0.000 -4.635) 4.893 9.820 ( 1.505 0.000 1.780) 2.332 9.822 ( 1.468 0.000 0.949) 1.748 9.870 ( 0.205 0.000 -0.553) 0.590 9.871 ( -0.272 0.000 0.523) 0.589 10.007 ( 1.227 0.000 -1.079) 1.634 10.020 ( 0.883 0.000 1.107) 1.416 10.078 ( 1.193 0.000 1.611) 2.004 10.082 ( 1.079 0.000 -1.159) 1.583 10.121 ( 1.289 0.000 -0.944) 1.598 10.135 ( 0.648 0.000 1.052) 1.235 10.154 ( 0.106 0.000 -0.961) 0.966 10.237 ( 0.049 0.000 0.049) 0.070 10.376 ( -1.840 0.000 1.186) 2.189 10.409 ( -1.753 0.000 -0.532) 1.832 10.485 ( -1.005 0.000 -1.456) 1.769 10.502 ( -0.948 0.000 1.051) 1.416 10.620 ( 0.218 0.000 -0.417) 0.471 10.620 ( 0.168 0.000 0.235) 0.289 10.764 ( 0.635 0.000 -0.501) 0.809 10.783 ( 0.457 0.000 0.617) 0.768 ======================= Grid point 76 (37/45) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.702 ( 2.130 0.000 0.982) 2.345 0.769 ( -4.641 0.000 0.361) 4.655 0.904 ( 0.685 0.000 1.740) 1.870 0.918 ( -0.394 0.000 -2.289) 2.322 1.044 ( 5.107 0.000 -3.846) 6.393 1.088 ( 1.483 0.000 -0.208) 1.498 1.145 ( 3.737 0.000 -4.448) 5.809 1.207 ( 4.185 0.000 5.543) 6.946 1.218 ( -1.162 0.000 6.016) 6.127 1.298 ( -1.078 0.000 -0.814) 1.351 1.362 ( 1.654 0.000 -1.516) 2.243 1.375 ( 1.840 0.000 -0.249) 1.857 1.391 ( -1.883 0.000 -0.241) 1.899 1.414 ( -1.648 0.000 -1.326) 2.115 1.420 ( 0.475 0.000 -3.463) 3.496 1.468 ( 1.726 0.000 -0.881) 1.938 1.478 ( -4.143 0.000 3.975) 5.741 1.522 ( -2.720 0.000 1.300) 3.015 1.587 ( 2.785 0.000 0.478) 2.826 1.617 ( -0.029 0.000 -0.064) 0.071 1.620 ( 0.133 0.000 1.210) 1.218 1.645 ( 0.022 0.000 -1.338) 1.339 1.668 ( 2.991 0.000 -0.724) 3.077 1.673 ( 0.999 0.000 0.724) 1.234 1.695 ( -0.992 0.000 -1.411) 1.725 1.719 ( -0.352 0.000 0.510) 0.620 1.733 ( -0.242 0.000 -2.333) 2.346 1.736 ( -1.020 0.000 0.459) 1.118 1.772 ( 1.807 0.000 1.820) 2.565 1.799 ( 1.356 0.000 -1.299) 1.878 1.804 ( 0.979 0.000 0.933) 1.353 1.824 ( 3.811 0.000 -0.609) 3.859 1.842 ( -4.871 0.000 1.058) 4.984 1.854 ( 0.322 0.000 1.071) 1.118 1.900 ( -1.950 0.000 0.869) 2.135 1.910 ( -0.125 0.000 0.838) 0.848 1.949 ( -1.746 0.000 -1.272) 2.160 1.950 ( -4.225 0.000 -2.868) 5.107 2.040 ( 2.701 0.000 5.811) 6.409 2.046 ( 0.845 0.000 -2.367) 2.513 2.070 ( -0.444 0.000 -2.583) 2.621 2.081 ( -1.513 0.000 0.827) 1.724 2.127 ( -1.104 0.000 -1.925) 2.219 2.128 ( -1.953 0.000 2.866) 3.468 2.238 ( 3.337 0.000 -3.415) 4.775 2.247 ( 4.478 0.000 3.306) 5.566 2.259 ( -1.074 0.000 -1.212) 1.620 2.338 ( -2.592 0.000 4.231) 4.962 2.374 ( 4.225 0.000 -9.562) 10.454 2.416 ( -0.685 0.000 6.877) 6.911 2.449 ( -0.459 0.000 4.242) 4.267 2.463 ( -1.032 0.000 -7.473) 7.544 2.549 ( 6.164 0.000 -0.398) 6.177 2.550 ( 1.320 0.000 0.846) 1.568 2.586 ( 2.751 0.000 0.979) 2.920 2.599 ( -3.709 0.000 1.327) 3.939 2.632 ( -0.829 0.000 -1.702) 1.893 2.639 ( -0.932 0.000 -0.691) 1.160 2.759 ( -0.493 0.000 -2.537) 2.585 2.782 ( -0.616 0.000 3.310) 3.367 2.859 ( 2.486 0.000 0.309) 2.505 2.907 ( 1.135 0.000 0.295) 1.173 3.014 ( -2.814 0.000 -1.802) 3.342 3.026 ( -3.176 0.000 3.489) 4.718 3.098 ( 3.062 0.000 -1.543) 3.429 3.134 ( -0.271 0.000 -0.694) 0.745 3.277 ( 3.478 0.000 -1.454) 3.770 3.290 ( 3.174 0.000 -0.410) 3.200 3.358 ( -4.487 0.000 5.521) 7.114 3.375 ( -4.502 0.000 -2.459) 5.130 3.484 ( 3.858 0.000 2.205) 4.444 3.551 ( -1.990 0.000 -1.273) 2.362 3.625 ( -1.495 0.000 -3.546) 3.849 3.637 ( -1.500 0.000 0.861) 1.729 3.758 ( 0.468 0.000 2.860) 2.898 3.775 ( -1.074 0.000 -1.768) 2.069 3.964 ( 0.069 0.000 1.037) 1.039 3.965 ( -0.143 0.000 -0.104) 0.177 4.030 ( 0.427 0.000 -2.092) 2.135 4.037 ( -0.198 0.000 2.032) 2.041 4.278 ( 5.854 0.000 -3.497) 6.819 4.352 ( 1.574 0.000 -2.278) 2.769 4.394 ( -5.829 0.000 5.051) 7.713 4.404 ( -3.655 0.000 0.151) 3.658 4.585 ( 2.099 0.000 -0.864) 2.270 4.605 ( -0.064 0.000 0.893) 0.896 4.739 ( 0.444 0.000 -1.303) 1.377 4.767 ( -2.346 0.000 1.689) 2.891 4.871 ( 2.624 0.000 -1.966) 3.279 4.908 ( -1.127 0.000 1.954) 2.256 4.998 ( 2.831 0.000 -5.322) 6.028 5.037 ( -0.517 0.000 4.873) 4.900 5.097 ( 0.436 0.000 -0.543) 0.696 5.098 ( 0.721 0.000 1.058) 1.280 5.306 ( 2.790 0.000 -1.606) 3.219 5.357 ( -2.110 0.000 0.822) 2.264 6.273 ( 0.195 0.000 1.369) 1.383 6.278 ( -0.236 0.000 -1.267) 1.288 6.327 ( 0.602 0.000 -0.569) 0.828 6.332 ( 0.032 0.000 0.503) 0.504 6.733 ( 0.501 0.000 -0.381) 0.629 6.738 ( 0.067 0.000 0.238) 0.248 6.773 ( 1.029 0.000 0.750) 1.273 6.781 ( 0.213 0.000 -0.627) 0.662 7.224 ( 1.412 0.000 0.190) 1.425 7.233 ( 0.959 0.000 0.127) 0.968 7.280 ( -1.023 0.000 -0.775) 1.283 7.287 ( -1.391 0.000 0.551) 1.496 7.410 ( 1.077 0.000 0.916) 1.414 7.423 ( -0.164 0.000 -0.822) 0.838 7.475 ( -0.578 0.000 -0.674) 0.887 7.494 ( -2.537 0.000 0.379) 2.565 7.854 ( -0.307 0.000 -2.346) 2.366 7.857 ( -0.676 0.000 2.000) 2.111 8.092 ( 0.643 0.000 1.702) 1.819 8.104 ( -0.628 0.000 -1.428) 1.560 8.217 ( 0.804 0.000 -0.885) 1.196 8.223 ( 0.622 0.000 1.222) 1.371 8.306 ( 1.188 0.000 1.298) 1.759 8.320 ( 0.422 0.000 -3.185) 3.213 8.356 ( 0.069 0.000 0.832) 0.835 8.361 ( -0.648 0.000 0.951) 1.150 8.504 ( 0.142 0.000 -0.057) 0.153 8.537 ( -3.250 0.000 0.219) 3.257 8.607 ( 0.548 0.000 1.251) 1.366 8.617 ( -0.820 0.000 -2.484) 2.616 8.655 ( 3.218 0.000 -1.185) 3.429 8.679 ( 3.770 0.000 3.366) 5.054 8.705 ( -1.125 0.000 -0.153) 1.135 8.730 ( -0.857 0.000 -0.947) 1.277 8.744 ( -0.822 0.000 0.785) 1.136 8.748 ( -1.170 0.000 -0.861) 1.452 8.827 ( 1.976 0.000 0.615) 2.070 8.871 ( -1.460 0.000 0.347) 1.501 8.935 ( 1.569 0.000 -0.705) 1.720 8.967 ( -1.742 0.000 -0.106) 1.745 9.005 ( 1.849 0.000 -0.817) 2.022 9.036 ( -1.262 0.000 -0.262) 1.289 9.108 ( 0.382 0.000 1.065) 1.132 9.149 ( -3.095 0.000 0.145) 3.099 9.247 ( 1.130 0.000 -0.656) 1.307 9.264 ( -0.696 0.000 1.834) 1.962 9.273 ( -0.403 0.000 -2.527) 2.559 9.282 ( -1.355 0.000 1.122) 1.759 9.567 ( 0.791 0.000 -3.153) 3.251 9.588 ( -1.092 0.000 2.331) 2.574 9.630 ( 1.543 0.000 3.927) 4.219 9.669 ( -2.177 0.000 -3.996) 4.551 9.845 ( 0.937 0.000 0.085) 0.941 9.846 ( 1.090 0.000 1.638) 1.967 9.864 ( -0.435 0.000 -0.232) 0.493 9.867 ( -0.485 0.000 -0.523) 0.713 10.027 ( 0.711 0.000 -0.994) 1.222 10.031 ( 0.211 0.000 1.076) 1.096 10.098 ( 0.523 0.000 -1.294) 1.396 10.098 ( 0.611 0.000 1.325) 1.459 10.147 ( 0.611 0.000 1.354) 1.486 10.153 ( 0.432 0.000 -1.557) 1.615 10.163 ( 2.272 0.000 -0.921) 2.452 10.215 ( -2.345 0.000 0.953) 2.532 10.358 ( 0.085 0.000 0.207) 0.223 10.376 ( -1.523 0.000 -0.117) 1.528 10.474 ( -0.032 0.000 -1.472) 1.473 10.483 ( -0.867 0.000 1.303) 1.565 10.623 ( 0.085 0.000 -0.357) 0.367 10.623 ( 0.059 0.000 0.308) 0.314 10.777 ( 0.657 0.000 -0.722) 0.976 10.786 ( -0.177 0.000 0.754) 0.775 ======================= Grid point 82 (38/45) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.633 ( 0.404 3.390 -10.110) 10.671 0.633 ( -0.404 3.390 10.110) 10.671 0.725 ( 2.995 4.312 -11.009) 12.197 0.725 ( -2.995 4.312 11.009) 12.197 1.010 ( 0.182 -1.263 -3.341) 3.576 1.010 ( -0.182 -1.263 3.341) 3.576 1.069 ( 0.665 0.123 -2.264) 2.363 1.069 ( -0.665 0.123 2.264) 2.363 1.208 ( -0.752 -1.415 -2.440) 2.919 1.208 ( 0.752 -1.415 2.440) 2.919 1.301 ( -2.222 0.093 -1.428) 2.642 1.301 ( 2.222 0.093 1.428) 2.642 1.366 ( -0.065 -2.079 -3.322) 3.919 1.366 ( 0.065 -2.079 3.322) 3.919 1.449 ( -1.426 1.087 -0.353) 1.828 1.449 ( 1.426 1.087 0.353) 1.828 1.478 ( -0.586 -1.762 -1.799) 2.585 1.478 ( 0.586 -1.762 1.799) 2.585 1.524 ( -1.082 -2.842 -1.814) 3.540 1.524 ( 1.082 -2.842 1.814) 3.540 1.559 ( -2.616 -0.782 -0.917) 2.881 1.559 ( 2.616 -0.782 0.917) 2.881 1.638 ( 0.386 -2.729 -2.236) 3.549 1.638 ( -0.386 -2.729 2.236) 3.549 1.696 ( -0.835 0.656 -3.066) 3.244 1.696 ( 0.835 0.656 3.066) 3.244 1.721 ( 1.186 1.391 -3.131) 3.626 1.721 ( -1.186 1.391 3.131) 3.626 1.761 ( -0.197 0.244 -1.242) 1.281 1.761 ( 0.197 0.244 1.242) 1.281 1.808 ( 0.744 0.265 -3.239) 3.334 1.808 ( -0.744 0.265 3.239) 3.334 1.859 ( -1.164 3.697 -4.897) 6.246 1.859 ( 1.164 3.697 4.897) 6.246 1.959 ( -0.816 3.115 -1.642) 3.615 1.959 ( 0.816 3.115 1.642) 3.615 2.001 ( 1.887 1.322 -1.598) 2.804 2.001 ( -1.887 1.322 1.598) 2.804 2.062 ( 0.738 -1.420 -2.378) 2.866 2.062 ( -0.738 -1.420 2.378) 2.866 2.137 ( -0.372 -0.782 -1.716) 1.922 2.137 ( 0.372 -0.782 1.716) 1.922 2.176 ( 0.740 1.175 -2.627) 2.971 2.176 ( -0.740 1.175 2.627) 2.971 2.235 ( -0.248 -0.842 -1.050) 1.368 2.235 ( 0.248 -0.842 1.050) 1.368 2.310 ( 0.174 0.675 -1.226) 1.410 2.310 ( -0.174 0.675 1.226) 1.410 2.343 ( -1.255 -0.101 -0.750) 1.466 2.343 ( 1.255 -0.101 0.750) 1.466 2.419 ( -0.967 -0.423 -2.782) 2.976 2.419 ( 0.967 -0.423 2.782) 2.976 2.556 ( -0.701 2.123 -1.739) 2.832 2.556 ( 0.701 2.123 1.739) 2.832 2.583 ( -2.309 2.521 0.298) 3.432 2.583 ( 2.309 2.521 -0.298) 3.432 2.683 ( -0.087 0.970 -1.428) 1.729 2.683 ( 0.087 0.970 1.428) 1.729 2.786 ( -1.095 0.898 -0.055) 1.417 2.786 ( 1.095 0.898 0.055) 1.417 2.869 ( 0.415 -1.848 -0.579) 1.981 2.869 ( -0.415 -1.848 0.579) 1.981 2.962 ( 0.050 1.410 -0.897) 1.672 2.962 ( -0.050 1.410 0.897) 1.672 3.129 ( -0.198 0.586 -2.399) 2.477 3.129 ( 0.198 0.586 2.399) 2.477 3.231 ( -1.848 -3.009 -2.211) 4.166 3.231 ( 1.848 -3.009 2.211) 4.166 3.341 ( 0.396 -0.104 -5.654) 5.669 3.341 ( -0.396 -0.104 5.654) 5.669 3.562 ( 0.884 -3.432 -2.630) 4.413 3.562 ( -0.884 -3.432 2.630) 4.413 3.675 ( 2.699 1.011 -5.724) 6.408 3.675 ( -2.699 1.011 5.724) 6.408 3.786 ( 0.301 -0.167 -1.650) 1.686 3.786 ( -0.301 -0.167 1.650) 1.686 3.960 ( -0.275 -0.148 -1.045) 1.091 3.960 ( 0.275 -0.148 1.045) 1.091 4.030 ( -1.383 -1.903 -1.971) 3.069 4.030 ( 1.383 -1.903 1.971) 3.069 4.310 ( -0.116 2.234 -1.795) 2.868 4.310 ( 0.116 2.234 1.795) 2.868 4.445 ( -1.723 -1.804 -2.960) 3.871 4.445 ( 1.723 -1.804 2.960) 3.871 4.615 ( 1.960 2.044 -4.018) 4.915 4.615 ( -1.960 2.044 4.018) 4.915 4.748 ( -2.837 1.140 -0.393) 3.083 4.748 ( 2.837 1.140 0.393) 3.083 4.820 ( -0.623 -1.609 -1.445) 2.250 4.820 ( 0.623 -1.609 1.445) 2.250 4.983 ( 2.090 -0.390 -2.516) 3.294 4.983 ( -2.090 -0.390 2.516) 3.294 5.014 ( 1.918 0.676 -1.476) 2.513 5.014 ( -1.918 0.676 1.476) 2.513 5.324 ( 1.380 0.165 -1.746) 2.232 5.324 ( -1.380 0.165 1.746) 2.232 6.260 ( 0.842 -0.293 -0.607) 1.079 6.260 ( -0.842 -0.293 0.607) 1.079 6.286 ( 0.118 -0.435 -0.196) 0.491 6.286 ( -0.118 -0.435 0.196) 0.491 6.705 ( -0.338 1.332 -0.298) 1.406 6.705 ( 0.338 1.332 0.298) 1.406 6.736 ( -0.555 0.846 -0.234) 1.039 6.736 ( 0.555 0.846 0.234) 1.039 7.176 ( -0.013 0.509 -1.509) 1.592 7.176 ( 0.013 0.509 1.509) 1.592 7.341 ( -0.210 -1.057 -1.512) 1.857 7.341 ( 0.210 -1.057 1.512) 1.857 7.425 ( -0.565 0.722 -0.028) 0.917 7.425 ( 0.565 0.722 0.028) 0.917 7.599 ( -1.525 -4.408 -1.430) 4.879 7.599 ( 1.525 -4.408 1.430) 4.879 7.905 ( -3.640 2.510 -0.308) 4.432 7.905 ( 3.640 2.510 0.308) 4.432 8.017 ( -1.827 2.124 -0.745) 2.899 8.017 ( 1.827 2.124 0.745) 2.899 8.180 ( -1.474 -3.237 -1.082) 3.718 8.180 ( 1.474 -3.237 1.082) 3.718 8.336 ( -0.154 0.431 -0.780) 0.905 8.336 ( 0.154 0.431 0.780) 0.905 8.418 ( -1.126 5.650 -1.673) 5.999 8.418 ( 1.126 5.650 1.673) 5.999 8.429 ( -2.311 2.637 -0.688) 3.574 8.429 ( 2.311 2.637 0.688) 3.574 8.613 ( 0.861 -1.278 -1.915) 2.458 8.613 ( -0.861 -1.278 1.915) 2.458 8.683 ( -0.866 0.471 -0.107) 0.992 8.683 ( 0.866 0.471 0.107) 0.992 8.748 ( -2.002 0.494 -1.345) 2.462 8.748 ( 2.002 0.494 1.345) 2.462 8.785 ( 0.004 0.720 -0.603) 0.940 8.785 ( -0.004 0.720 0.603) 0.940 8.862 ( -0.197 -0.031 -1.729) 1.740 8.862 ( 0.197 -0.031 1.729) 1.740 8.925 ( -0.320 1.869 -0.953) 2.122 8.925 ( 0.320 1.869 0.953) 2.122 9.000 ( -0.449 -2.315 -1.073) 2.591 9.000 ( 0.449 -2.315 1.073) 2.591 9.172 ( -0.871 -3.064 -0.581) 3.237 9.172 ( 0.871 -3.064 0.581) 3.237 9.241 ( -0.924 -3.345 -1.221) 3.678 9.241 ( 0.924 -3.345 1.221) 3.678 9.321 ( -0.516 -0.770 -1.847) 2.066 9.321 ( 0.516 -0.770 1.847) 2.066 9.574 ( -0.743 0.255 -2.893) 2.998 9.574 ( 0.743 0.255 2.893) 2.998 9.736 ( 0.254 -2.750 -3.454) 4.422 9.736 ( -0.254 -2.750 3.454) 4.422 9.765 ( 0.071 1.742 -0.591) 1.841 9.765 ( -0.071 1.742 0.591) 1.841 9.873 ( -0.833 0.162 -1.853) 2.038 9.873 ( 0.833 0.162 1.853) 2.038 9.995 ( -0.357 0.400 -1.415) 1.513 9.995 ( 0.357 0.400 1.415) 1.513 10.040 ( 0.119 -1.117 -1.013) 1.513 10.040 ( -0.119 -1.117 1.013) 1.513 10.129 ( 0.169 1.375 -1.032) 1.727 10.129 ( -0.169 1.375 1.032) 1.727 10.201 ( -0.373 1.063 -0.489) 1.228 10.201 ( 0.373 1.063 0.489) 1.228 10.444 ( 0.712 0.295 -1.687) 1.855 10.444 ( -0.712 0.295 1.687) 1.855 10.505 ( -0.271 -0.937 -0.776) 1.247 10.505 ( 0.271 -0.937 0.776) 1.247 10.636 ( 0.071 2.037 -0.482) 2.094 10.636 ( -0.071 2.037 0.482) 2.094 10.751 ( 0.426 -0.826 -0.248) 0.962 10.751 ( -0.426 -0.826 0.248) 0.962 ======================= Grid point 84 (39/45) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.682 ( 3.572 1.905 5.792) 7.066 0.717 ( 7.021 1.149 -9.067) 11.525 0.771 ( 8.426 1.912 4.072) 9.551 0.848 ( 6.657 2.133 -4.074) 8.091 0.954 ( -2.900 -1.245 1.195) 3.375 0.991 ( -1.980 0.937 1.003) 2.410 1.030 ( -2.736 -1.850 -0.729) 3.383 1.065 ( -0.699 -0.088 1.767) 1.902 1.194 ( -0.090 -2.801 -2.211) 3.570 1.231 ( 1.492 -1.733 0.391) 2.320 1.281 ( 0.352 -1.947 0.098) 1.981 1.313 ( -1.699 0.633 -0.531) 1.890 1.333 ( 0.642 0.422 -0.285) 0.819 1.427 ( -0.715 -2.046 -0.756) 2.295 1.429 ( -1.687 0.374 -0.038) 1.728 1.479 ( 1.711 -0.450 -1.901) 2.597 1.483 ( 1.634 -3.837 2.537) 4.881 1.511 ( 1.612 -3.234 3.744) 5.203 1.525 ( 1.391 -2.526 -2.902) 4.091 1.547 ( 3.080 -3.117 -0.415) 4.402 1.555 ( 1.205 -1.770 1.262) 2.485 1.607 ( -1.258 -1.573 0.985) 2.242 1.625 ( 3.107 -2.337 0.246) 3.896 1.648 ( -0.640 1.309 -2.474) 2.871 1.665 ( -0.424 0.586 1.409) 1.584 1.708 ( 0.648 1.716 3.410) 3.872 1.717 ( 0.165 0.088 -0.238) 0.303 1.723 ( -1.743 -0.177 2.047) 2.695 1.738 ( 0.025 -1.521 -1.404) 2.070 1.790 ( -0.125 2.045 -0.006) 2.049 1.802 ( 1.623 -0.336 -1.149) 2.016 1.837 ( 1.377 2.939 -4.943) 5.913 1.839 ( 0.391 -0.474 -0.425) 0.747 1.885 ( 0.010 3.155 3.308) 4.572 1.908 ( -3.054 4.161 -0.245) 5.167 1.958 ( 0.639 2.304 0.422) 2.428 1.990 ( 0.078 1.772 0.987) 2.030 2.016 ( -1.469 -0.047 0.940) 1.745 2.061 ( 2.422 0.392 -3.047) 3.912 2.090 ( -0.279 -1.027 -0.249) 1.093 2.119 ( -1.398 -0.223 -2.555) 2.921 2.133 ( -0.254 0.183 3.205) 3.220 2.136 ( -2.432 2.096 3.370) 4.654 2.172 ( -2.000 0.647 1.933) 2.856 2.224 ( 1.547 0.084 -5.509) 5.723 2.250 ( 0.846 0.526 -0.326) 1.048 2.273 ( -2.850 -1.784 -0.614) 3.417 2.334 ( -0.157 2.822 -1.469) 3.186 2.348 ( 1.140 1.462 1.700) 2.516 2.366 ( 1.322 -1.481 1.900) 2.748 2.386 ( 0.202 -1.251 -1.679) 2.103 2.468 ( 2.181 0.193 -0.503) 2.246 2.521 ( -2.611 1.490 -0.681) 3.082 2.540 ( -0.896 1.412 0.372) 1.713 2.582 ( 0.697 3.670 2.036) 4.255 2.629 ( 1.816 1.471 0.506) 2.391 2.673 ( 0.241 3.492 0.168) 3.504 2.707 ( 1.576 -0.724 -1.098) 2.053 2.754 ( -1.986 0.201 0.763) 2.137 2.794 ( -0.275 2.194 -1.072) 2.457 2.866 ( -0.781 -0.095 0.663) 1.029 2.878 ( 0.804 -0.575 0.027) 0.988 2.960 ( 1.907 1.640 -0.456) 2.556 3.025 ( 3.894 -1.331 -1.455) 4.365 3.130 ( 0.004 0.709 1.005) 1.230 3.130 ( -0.174 0.401 -0.787) 0.900 3.198 ( -0.722 -1.667 -1.461) 2.331 3.266 ( 0.811 -1.500 0.230) 1.720 3.331 ( 0.820 -1.069 2.521) 2.859 3.372 ( 1.701 -0.845 -1.392) 2.355 3.550 ( -0.689 -2.791 2.286) 3.673 3.580 ( -1.078 0.312 0.821) 1.390 3.605 ( -1.150 -2.327 2.325) 3.484 3.703 ( -0.866 -1.719 -0.957) 2.149 3.771 ( -0.922 -0.160 -0.782) 1.220 3.797 ( -0.056 -0.256 -0.773) 0.816 3.954 ( -0.465 -0.371 -1.688) 1.790 3.962 ( -0.127 0.103 0.825) 0.841 3.998 ( -0.971 -2.313 -2.023) 3.223 4.045 ( 0.159 -0.821 1.481) 1.701 4.248 ( -2.207 4.248 0.181) 4.791 4.370 ( 0.708 0.099 -2.373) 2.479 4.411 ( -0.530 -2.242 -1.587) 2.797 4.474 ( 0.841 -2.674 3.165) 4.228 4.590 ( -0.186 1.996 2.723) 3.381 4.634 ( -1.404 4.590 -0.477) 4.823 4.707 ( 0.742 -1.668 -0.519) 1.898 4.784 ( -0.368 -0.106 -2.003) 2.039 4.832 ( 2.865 -0.462 2.023) 3.538 4.865 ( 2.284 -1.522 -2.096) 3.454 4.956 ( -0.383 1.785 1.128) 2.146 4.993 ( 0.120 1.921 1.924) 2.722 5.028 ( 2.484 -0.144 -1.132) 2.734 5.055 ( 2.083 -0.562 -0.991) 2.375 5.297 ( -1.327 0.707 1.500) 2.124 5.349 ( 1.215 -0.630 -1.300) 1.888 6.257 ( 0.335 -0.369 0.710) 0.868 6.278 ( -0.060 -1.033 -0.561) 1.177 6.288 ( 1.301 0.295 -0.392) 1.391 6.300 ( 0.921 -0.562 0.108) 1.085 6.708 ( 0.503 0.899 -0.228) 1.056 6.720 ( 1.118 0.898 0.685) 1.589 6.735 ( 0.328 0.918 -0.367) 1.042 6.754 ( 1.106 0.615 -0.077) 1.268 7.181 ( 0.600 0.346 -0.699) 0.984 7.186 ( 0.930 0.541 0.920) 1.415 7.325 ( -1.348 -1.057 -0.987) 1.977 7.335 ( -0.797 -0.909 0.880) 1.495 7.410 ( -0.721 0.845 0.269) 1.142 7.432 ( -0.060 0.596 -0.278) 0.660 7.548 ( -3.009 -2.127 -2.016) 4.200 7.590 ( -2.274 -3.816 1.177) 4.596 7.872 ( 0.064 2.505 -1.237) 2.795 7.941 ( -1.249 2.369 1.458) 3.049 8.032 ( 3.452 0.085 -1.189) 3.652 8.058 ( 2.156 1.073 1.001) 2.607 8.160 ( -0.216 -2.332 -0.736) 2.455 8.209 ( 1.147 -1.510 0.593) 1.987 8.320 ( -1.140 0.623 -1.636) 2.089 8.339 ( 0.705 0.217 -0.477) 0.878 8.379 ( -2.581 3.017 1.075) 4.113 8.385 ( -1.033 2.601 1.143) 3.024 8.443 ( 1.389 3.289 -0.132) 3.573 8.513 ( 5.048 3.156 1.790) 6.216 8.601 ( -0.452 0.402 1.661) 1.768 8.623 ( -0.189 -1.945 -1.910) 2.733 8.658 ( -1.378 -0.147 0.170) 1.397 8.693 ( -0.740 0.468 -0.727) 1.138 8.713 ( -0.892 1.148 -0.468) 1.527 8.753 ( -1.177 1.619 -0.200) 2.011 8.785 ( 1.020 0.209 2.239) 2.469 8.794 ( -0.168 0.174 -0.454) 0.514 8.839 ( -1.383 0.554 -0.096) 1.493 8.875 ( 0.121 -0.633 -0.328) 0.724 8.903 ( -0.752 2.316 0.196) 2.443 8.945 ( 1.109 0.931 -0.119) 1.453 8.988 ( -0.783 -2.555 -0.738) 2.772 9.012 ( 0.645 -2.403 0.232) 2.499 9.148 ( -1.441 -2.063 -0.784) 2.636 9.165 ( -1.621 -4.850 0.318) 5.123 9.225 ( -0.259 -2.023 0.200) 2.050 9.261 ( 0.560 -3.171 0.488) 3.257 9.305 ( -1.015 -0.645 -1.772) 2.142 9.324 ( -0.333 -0.475 1.300) 1.424 9.565 ( -0.204 0.278 -3.281) 3.299 9.593 ( 1.095 0.984 1.735) 2.276 9.690 ( -3.093 -1.533 1.810) 3.898 9.730 ( -0.698 -0.760 -3.612) 3.756 9.770 ( 0.329 -0.808 1.883) 2.075 9.787 ( 1.545 1.029 1.246) 2.236 9.853 ( -0.827 -0.622 -1.125) 1.528 9.895 ( 0.858 0.577 0.943) 1.400 9.993 ( 0.531 0.486 -0.469) 0.859 10.011 ( 0.989 0.653 0.248) 1.211 10.046 ( 0.789 -0.708 1.043) 1.487 10.053 ( 1.145 -0.918 -0.630) 1.597 10.129 ( 0.292 1.255 1.108) 1.699 10.136 ( 0.331 1.407 -0.419) 1.505 10.178 ( -0.878 1.287 -0.410) 1.611 10.227 ( 1.143 0.399 -0.460) 1.295 10.419 ( -1.770 0.419 1.537) 2.381 10.445 ( -0.607 0.738 -1.203) 1.536 10.483 ( -1.275 -1.466 -0.453) 1.995 10.507 ( -0.467 -0.773 0.207) 0.927 10.639 ( 0.380 2.023 0.115) 2.061 10.641 ( 0.288 2.119 -0.081) 2.140 10.748 ( 0.126 -0.818 0.035) 0.828 10.762 ( 0.663 -0.891 0.019) 1.111 ======================= Grid point 86 (40/45) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( 0.630 3.316 3.878) 5.141 0.832 ( 2.470 -0.445 -0.113) 2.512 0.894 ( 3.536 -1.587 -5.482) 6.714 0.916 ( -1.294 1.829 -2.957) 3.710 0.953 ( -2.160 0.610 0.579) 2.318 1.007 ( 10.657 -2.021 -2.193) 11.066 1.045 ( 5.314 -1.885 2.448) 6.146 1.072 ( 1.285 -0.917 3.584) 3.916 1.208 ( 1.262 -5.159 -2.143) 5.727 1.260 ( 0.329 -1.429 1.655) 2.211 1.283 ( 1.416 -1.841 -0.097) 2.325 1.298 ( -0.341 -1.673 -0.220) 1.722 1.358 ( 0.880 -1.482 -1.034) 2.010 1.384 ( 0.246 -3.370 0.827) 3.478 1.412 ( -0.880 -1.643 1.456) 2.365 1.469 ( -3.375 -4.341 -0.112) 5.500 1.476 ( -2.022 -1.966 -2.447) 3.734 1.518 ( -1.500 0.554 -0.222) 1.614 1.535 ( 0.271 -3.841 0.600) 3.897 1.560 ( -0.880 -2.331 -0.736) 2.598 1.577 ( 0.719 -4.475 0.486) 4.558 1.634 ( 0.914 -1.930 -0.185) 2.143 1.654 ( -0.555 -1.673 0.192) 1.773 1.666 ( 0.948 -1.400 1.151) 2.045 1.672 ( -0.209 2.073 1.090) 2.352 1.688 ( 2.228 -0.296 0.678) 2.348 1.701 ( 0.362 -0.580 1.945) 2.061 1.742 ( 0.998 -1.599 1.349) 2.318 1.769 ( 1.311 0.145 0.012) 1.319 1.775 ( -0.188 -0.913 -1.538) 1.798 1.821 ( -0.854 3.077 0.887) 3.315 1.838 ( -1.025 2.630 -1.302) 3.108 1.849 ( -0.852 -1.073 -2.349) 2.720 1.881 ( 2.747 2.168 -1.257) 3.718 1.906 ( 1.134 -2.462 0.653) 2.788 1.965 ( -0.835 0.623 1.273) 1.645 1.976 ( -0.029 3.753 0.421) 3.777 2.003 ( -0.790 2.039 0.672) 2.287 2.048 ( -2.436 1.709 1.379) 3.280 2.081 ( -1.639 -0.541 -1.329) 2.178 2.091 ( -1.564 -1.466 0.338) 2.170 2.113 ( 0.840 2.225 -0.509) 2.433 2.116 ( -2.325 -0.645 0.422) 2.449 2.191 ( 5.280 5.586 2.291) 8.020 2.200 ( -3.200 -0.369 0.055) 3.221 2.265 ( 0.655 1.172 -0.901) 1.617 2.292 ( 0.930 3.340 -4.871) 5.979 2.331 ( 1.164 1.685 -0.063) 2.049 2.352 ( 1.181 -0.442 -2.003) 2.367 2.395 ( 1.706 0.461 1.344) 2.220 2.429 ( 3.521 0.860 0.697) 3.690 2.457 ( -2.636 0.316 -0.433) 2.690 2.510 ( 0.931 1.931 -1.844) 2.828 2.539 ( 1.177 0.406 0.696) 1.426 2.588 ( 0.031 2.642 1.034) 2.837 2.643 ( 0.532 2.276 2.076) 3.126 2.688 ( -2.533 1.225 1.966) 3.433 2.711 ( 1.579 3.773 -0.258) 4.098 2.746 ( 0.984 -1.237 -1.201) 1.985 2.782 ( -0.945 0.920 -1.668) 2.126 2.860 ( 0.697 2.856 1.441) 3.274 2.897 ( 1.543 1.149 0.043) 1.924 3.008 ( 2.414 0.518 -0.316) 2.489 3.084 ( 1.228 -2.881 -2.214) 3.836 3.103 ( -2.034 0.088 1.155) 2.341 3.125 ( -0.658 2.218 -0.246) 2.327 3.219 ( 2.816 -0.050 -1.104) 3.025 3.266 ( 0.223 1.279 -0.447) 1.373 3.374 ( 2.609 -3.391 -1.430) 4.510 3.394 ( 0.497 -0.821 2.614) 2.785 3.503 ( -4.199 2.156 4.138) 6.277 3.541 ( -1.084 -2.555 0.376) 2.801 3.621 ( -0.083 -2.525 -1.129) 2.767 3.669 ( -1.799 -2.464 -1.051) 3.226 3.746 ( -1.218 -0.870 1.295) 1.979 3.779 ( -1.378 -1.493 0.261) 2.049 3.942 ( -0.120 -1.476 -0.741) 1.656 3.971 ( 0.407 0.382 -0.409) 0.692 3.994 ( 0.303 -1.602 -1.235) 2.045 4.041 ( -0.505 -0.470 0.525) 0.867 4.234 ( 1.000 3.498 -1.342) 3.877 4.346 ( -1.523 -0.199 -2.074) 2.580 4.404 ( -1.543 -3.787 -1.374) 4.314 4.454 ( -3.197 -2.998 4.101) 6.002 4.603 ( 1.484 2.124 1.473) 2.980 4.625 ( 0.693 4.767 -0.505) 4.843 4.712 ( 0.044 -2.322 0.186) 2.330 4.814 ( -0.180 1.303 0.482) 1.401 4.835 ( 1.349 -0.389 -0.218) 1.420 4.919 ( 2.990 -1.357 -3.962) 5.145 4.959 ( -0.116 3.220 1.588) 3.592 5.025 ( 2.330 1.539 1.173) 3.029 5.073 ( 1.972 0.120 1.158) 2.290 5.086 ( 1.101 -0.464 -0.524) 1.305 5.284 ( 0.413 1.046 -0.156) 1.135 5.367 ( 0.409 -0.882 -0.355) 1.035 6.264 ( 0.312 -0.416 1.116) 1.231 6.274 ( -0.196 -0.706 -0.645) 0.976 6.311 ( 1.001 0.072 -0.734) 1.243 6.319 ( 0.945 -0.524 0.229) 1.105 6.719 ( 0.629 0.171 -0.201) 0.682 6.742 ( 0.298 0.729 -0.259) 0.829 6.747 ( 1.525 0.207 0.832) 1.749 6.773 ( 0.861 0.369 -0.391) 1.015 7.198 ( 1.133 0.164 -0.421) 1.220 7.211 ( 1.544 0.411 0.914) 1.841 7.295 ( -1.655 -0.972 -0.697) 2.043 7.313 ( -1.427 -0.634 0.403) 1.612 7.402 ( 0.035 0.678 0.530) 0.861 7.428 ( -0.236 0.346 -0.497) 0.650 7.498 ( -2.094 -0.757 -1.381) 2.620 7.536 ( -3.002 -1.913 0.923) 3.677 7.879 ( 0.182 1.929 -2.047) 2.819 7.907 ( -1.724 2.554 1.555) 3.451 8.072 ( 0.847 -1.017 0.164) 1.334 8.088 ( 0.520 -1.462 -0.117) 1.556 8.179 ( 1.754 -0.206 0.237) 1.782 8.231 ( 1.382 1.270 -0.098) 1.879 8.303 ( -0.507 0.770 -1.669) 1.907 8.339 ( -0.848 1.898 0.769) 2.217 8.357 ( 0.245 0.271 0.555) 0.665 8.379 ( 0.375 1.049 0.889) 1.425 8.486 ( 2.741 0.382 -0.870) 2.902 8.575 ( -2.051 -0.048 0.742) 2.182 8.603 ( 2.075 0.348 0.869) 2.276 8.619 ( 1.653 1.414 0.138) 2.180 8.631 ( -1.060 -1.026 -0.351) 1.517 8.665 ( -1.266 2.647 0.499) 2.976 8.712 ( 0.518 0.568 -1.042) 1.295 8.746 ( 0.013 1.867 -0.987) 2.112 8.783 ( -1.119 0.888 1.437) 2.026 8.789 ( -0.620 0.198 -0.205) 0.683 8.810 ( -1.233 0.487 1.512) 2.011 8.872 ( -0.020 -0.522 -0.202) 0.560 8.902 ( 0.367 -0.177 -0.479) 0.629 8.964 ( -1.054 -2.992 -1.337) 3.442 8.973 ( 1.117 0.278 0.037) 1.152 9.023 ( 0.475 -2.320 0.177) 2.375 9.102 ( -3.083 -3.258 -0.559) 4.520 9.138 ( -1.444 -4.152 0.400) 4.414 9.224 ( 0.198 -1.347 0.419) 1.424 9.263 ( -0.201 -2.071 0.797) 2.228 9.286 ( -0.898 0.003 -1.313) 1.591 9.310 ( -1.021 -0.000 0.543) 1.156 9.564 ( 0.153 0.641 -3.213) 3.280 9.612 ( 0.585 1.696 0.755) 1.947 9.640 ( -1.679 -0.371 3.892) 4.255 9.713 ( -1.199 0.100 -3.449) 3.652 9.777 ( 0.589 -1.857 1.492) 2.454 9.812 ( 0.511 -0.949 -0.069) 1.080 9.850 ( 0.750 -0.494 -0.636) 1.101 9.903 ( 0.001 0.376 0.930) 1.003 10.013 ( 1.368 0.693 -0.156) 1.542 10.031 ( 0.953 0.949 0.168) 1.356 10.065 ( 1.141 -0.662 0.839) 1.563 10.077 ( 1.212 -0.321 -0.868) 1.525 10.138 ( 0.524 0.550 1.112) 1.347 10.145 ( 0.690 1.284 -0.018) 1.458 10.171 ( 0.146 1.458 -1.100) 1.832 10.239 ( -0.116 -0.090 0.023) 0.148 10.384 ( -1.500 0.828 0.843) 1.910 10.422 ( -1.666 1.130 -0.335) 2.041 10.463 ( -0.733 -1.580 -1.181) 2.104 10.491 ( -1.137 -0.900 0.604) 1.571 10.645 ( 0.189 2.235 -0.112) 2.246 10.646 ( 0.280 2.091 0.138) 2.114 10.755 ( 0.624 -0.817 -0.356) 1.088 10.773 ( 0.412 -0.985 0.411) 1.144 ======================= Grid point 88 (41/45) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.737 ( 1.750 3.381 0.807) 3.892 0.791 ( -3.736 2.193 0.146) 4.335 0.919 ( 1.431 1.558 0.604) 2.200 0.939 ( -0.348 1.732 -0.873) 1.971 0.995 ( 4.798 -4.289 -4.330) 7.757 1.060 ( -1.941 -4.586 2.693) 5.662 1.132 ( 4.613 0.186 -1.699) 4.920 1.188 ( 5.297 -2.197 2.046) 6.089 1.202 ( -1.882 -2.464 2.091) 3.739 1.269 ( 0.205 -2.035 1.398) 2.477 1.298 ( -0.339 -6.211 -1.612) 6.425 1.321 ( -1.816 -5.654 -0.378) 5.951 1.347 ( 2.941 -0.352 0.107) 2.964 1.395 ( -0.532 -1.102 0.594) 1.360 1.410 ( -0.913 -5.088 -1.100) 5.285 1.416 ( -1.451 -1.758 -3.753) 4.391 1.459 ( 1.817 -0.087 1.355) 2.268 1.496 ( -0.708 -2.304 0.138) 2.414 1.533 ( -0.746 -1.502 -0.049) 1.677 1.547 ( 0.577 -4.780 0.630) 4.856 1.593 ( 0.511 -2.675 0.518) 2.772 1.600 ( -0.876 -3.641 0.878) 3.846 1.638 ( -1.407 -1.223 -0.836) 2.043 1.654 ( -0.176 -1.922 1.198) 2.272 1.664 ( -2.330 -3.046 1.415) 4.088 1.698 ( -1.409 -0.554 -1.319) 2.008 1.742 ( 1.625 -1.385 -0.397) 2.171 1.748 ( 0.539 -0.772 1.437) 1.718 1.790 ( 1.103 0.707 -3.126) 3.389 1.797 ( 1.647 -0.742 -1.881) 2.608 1.805 ( -0.097 0.357 1.134) 1.193 1.820 ( -0.372 1.436 2.050) 2.530 1.856 ( 1.448 -0.361 1.164) 1.892 1.896 ( -0.795 0.152 -0.108) 0.816 1.941 ( -0.337 4.621 0.334) 4.646 1.952 ( 1.366 1.622 0.549) 2.190 1.966 ( -2.157 1.170 -1.622) 2.941 1.984 ( -0.668 2.522 -0.623) 2.682 2.009 ( 0.300 0.362 0.365) 0.596 2.053 ( -2.356 -0.543 0.948) 2.597 2.080 ( 1.117 0.516 1.385) 1.853 2.091 ( 0.014 -1.951 -2.131) 2.889 2.120 ( -0.587 3.365 0.227) 3.424 2.140 ( -2.691 1.279 0.575) 3.034 2.258 ( 0.475 2.945 -1.630) 3.399 2.275 ( -0.331 1.434 -1.259) 1.937 2.313 ( 3.131 4.438 0.766) 5.485 2.340 ( -0.154 -1.450 2.927) 3.270 2.392 ( 2.081 -0.620 -1.291) 2.527 2.410 ( -0.606 -0.362 -4.329) 4.387 2.423 ( 0.747 0.740 4.019) 4.154 2.470 ( -1.590 2.725 -0.110) 3.157 2.547 ( 2.356 2.076 -3.177) 4.467 2.571 ( 0.490 -0.977 1.579) 1.921 2.605 ( 0.984 1.565 1.578) 2.431 2.622 ( -1.188 2.905 0.166) 3.142 2.676 ( 3.268 3.603 0.877) 4.943 2.733 ( -0.720 3.693 -2.643) 4.598 2.757 ( 0.315 0.244 -0.808) 0.901 2.774 ( -0.471 1.587 1.378) 2.154 2.883 ( 2.691 2.180 -0.016) 3.463 2.932 ( 0.241 1.783 0.942) 2.031 3.018 ( -0.886 0.562 -0.154) 1.061 3.048 ( -3.025 0.880 2.678) 4.135 3.100 ( 1.791 0.604 -2.710) 3.304 3.124 ( -0.311 -0.086 -0.242) 0.403 3.288 ( 3.088 0.928 -1.157) 3.426 3.295 ( 3.713 0.667 -1.016) 3.907 3.353 ( -2.839 -0.308 -0.085) 2.857 3.398 ( -4.903 1.722 3.577) 6.308 3.458 ( 3.097 -2.724 0.199) 4.129 3.519 ( -2.257 -2.885 -0.172) 3.667 3.604 ( 0.302 -1.214 0.007) 1.251 3.638 ( -2.146 -0.127 -1.363) 2.546 3.739 ( 0.461 -1.411 1.513) 2.120 3.755 ( -1.069 -1.724 -0.209) 2.039 3.953 ( 0.887 -1.492 0.942) 1.975 3.967 ( -0.580 -0.254 -0.924) 1.120 4.007 ( 0.989 -1.615 0.148) 1.899 4.027 ( -0.948 -1.093 -0.466) 1.520 4.283 ( 3.742 0.576 -3.928) 5.456 4.335 ( 0.650 -1.187 -0.568) 1.468 4.355 ( -3.273 -3.064 2.408) 5.089 4.379 ( -3.878 -1.564 1.480) 4.436 4.631 ( 1.144 2.076 0.299) 2.389 4.639 ( 0.387 3.789 -0.344) 3.824 4.726 ( 1.418 -0.690 0.411) 1.630 4.766 ( -2.722 0.100 0.685) 2.808 4.896 ( 3.096 1.848 -1.636) 3.959 4.942 ( -1.680 2.445 1.687) 3.412 4.978 ( 3.232 -1.339 -4.877) 6.002 5.032 ( -1.853 -0.682 4.577) 4.985 5.100 ( 1.023 0.390 -0.674) 1.285 5.104 ( 0.588 0.671 0.589) 1.069 5.316 ( 2.488 0.893 -1.436) 3.009 5.358 ( -1.455 -0.095 0.808) 1.667 6.268 ( 0.117 -0.460 1.243) 1.331 6.271 ( -0.161 -0.548 -1.055) 1.199 6.326 ( 0.552 -0.067 -0.422) 0.698 6.330 ( 0.155 -0.245 0.241) 0.377 6.732 ( 0.649 -0.082 -0.161) 0.673 6.742 ( -0.337 0.121 0.004) 0.358 6.773 ( 1.044 0.045 0.755) 1.289 6.783 ( 0.020 0.111 -0.612) 0.622 7.223 ( 1.435 0.025 0.120) 1.441 7.238 ( 0.779 0.375 0.237) 0.896 7.268 ( -0.693 -0.924 -0.402) 1.223 7.284 ( -1.547 -0.493 0.141) 1.630 7.411 ( 0.803 0.187 0.530) 0.980 7.423 ( -0.304 0.050 -0.432) 0.531 7.471 ( -0.542 -0.321 -0.589) 0.862 7.485 ( -1.987 -0.728 0.365) 2.147 7.878 ( -0.067 2.233 -1.652) 2.778 7.883 ( -0.765 2.494 1.440) 2.980 8.081 ( 0.288 -1.612 0.620) 1.750 8.087 ( -0.339 -1.610 -0.555) 1.736 8.214 ( 1.860 0.597 -0.062) 1.955 8.242 ( -0.748 1.315 0.290) 1.541 8.308 ( 1.397 0.146 -0.014) 1.404 8.341 ( -1.436 0.341 -0.692) 1.630 8.356 ( 1.670 1.313 -0.647) 2.221 8.382 ( -0.576 1.985 1.411) 2.502 8.512 ( 0.181 0.055 -0.396) 0.439 8.528 ( -1.933 -0.355 0.394) 2.004 8.620 ( -0.090 0.582 -1.794) 1.889 8.627 ( -0.810 1.625 1.426) 2.309 8.649 ( 3.834 -0.240 -0.786) 3.921 8.701 ( 3.186 2.068 1.667) 4.148 8.712 ( -1.523 0.587 -0.256) 1.652 8.742 ( -0.470 0.963 -0.445) 1.160 8.754 ( -1.359 0.894 1.219) 2.033 8.762 ( -1.431 1.232 -1.122) 2.196 8.819 ( 1.946 -0.618 1.407) 2.480 8.861 ( -1.614 -0.795 -0.760) 1.953 8.913 ( 0.773 -1.878 -0.256) 2.047 8.935 ( -1.456 -2.863 -0.481) 3.247 9.004 ( 1.650 -0.306 -0.601) 1.782 9.027 ( -0.458 -1.112 -0.083) 1.206 9.061 ( -0.221 -4.085 0.908) 4.191 9.095 ( -2.778 -4.465 -0.185) 5.262 9.236 ( 1.030 -0.785 -0.342) 1.339 9.256 ( -0.787 -0.692 0.843) 1.344 9.276 ( 0.141 0.196 0.250) 0.348 9.289 ( -1.053 0.267 -0.601) 1.241 9.572 ( 0.780 0.732 -2.954) 3.142 9.594 ( -1.429 0.499 2.601) 3.010 9.650 ( 1.631 1.397 2.526) 3.316 9.684 ( -1.743 0.946 -2.831) 3.456 9.792 ( 0.901 -2.436 1.406) 2.953 9.808 ( -0.671 -2.277 -1.142) 2.634 9.874 ( 1.395 -0.067 -0.450) 1.467 9.895 ( -0.764 0.149 0.753) 1.083 10.035 ( 0.807 0.764 -0.249) 1.139 10.042 ( 0.134 0.939 0.351) 1.011 10.086 ( 0.864 -0.527 0.811) 1.297 10.093 ( 0.264 -0.220 -1.003) 1.060 10.150 ( 0.637 0.096 1.085) 1.261 10.155 ( 0.192 -0.368 -0.734) 0.843 10.185 ( 1.415 2.013 -0.880) 2.614 10.219 ( -1.755 0.443 0.735) 1.954 10.372 ( 0.243 1.186 0.045) 1.211 10.390 ( -1.477 1.189 0.037) 1.896 10.457 ( 0.158 -1.263 -1.326) 1.838 10.469 ( -0.992 -1.067 1.058) 1.800 10.648 ( 0.113 2.221 -0.024) 2.224 10.649 ( 0.034 2.183 0.047) 2.183 10.768 ( 0.610 -0.881 -0.595) 1.225 10.776 ( -0.144 -0.971 0.608) 1.154 ======================= Grid point 94 (42/45) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -0.790 0.891 -4.819) 4.965 0.676 ( 0.790 0.891 4.819) 4.965 0.858 ( -0.225 7.046 -6.553) 9.625 0.858 ( 0.225 7.046 6.553) 9.625 0.971 ( 2.111 -2.408 -1.882) 3.714 0.971 ( -2.111 -2.408 1.882) 3.714 1.066 ( -1.012 -0.484 -1.741) 2.071 1.066 ( 1.012 -0.484 1.741) 2.071 1.212 ( -0.161 -0.120 -2.973) 2.980 1.212 ( 0.161 -0.120 2.973) 2.980 1.253 ( -2.064 -0.728 -0.908) 2.370 1.253 ( 2.064 -0.728 0.908) 2.370 1.343 ( 0.598 -1.181 -4.333) 4.531 1.343 ( -0.598 -1.181 4.333) 4.531 1.395 ( 0.242 -3.953 -2.297) 4.579 1.395 ( -0.242 -3.953 2.297) 4.579 1.449 ( -1.246 -2.012 -3.079) 3.884 1.449 ( 1.246 -2.012 3.079) 3.884 1.513 ( -2.757 0.932 -1.540) 3.293 1.513 ( 2.757 0.932 1.540) 3.293 1.532 ( -1.082 -0.595 -1.329) 1.814 1.532 ( 1.082 -0.595 1.329) 1.814 1.597 ( -1.443 -1.500 -2.276) 3.084 1.597 ( 1.443 -1.500 2.276) 3.084 1.686 ( 1.449 -0.270 -1.174) 1.884 1.686 ( -1.449 -0.270 1.174) 1.884 1.731 ( -0.021 0.755 -0.640) 0.990 1.731 ( 0.021 0.755 0.640) 0.990 1.762 ( -0.932 -0.830 -0.722) 1.441 1.762 ( 0.932 -0.830 0.722) 1.441 1.829 ( -0.532 1.384 -1.011) 1.795 1.829 ( 0.532 1.384 1.011) 1.795 1.971 ( -1.200 3.748 -0.733) 4.003 1.971 ( 1.200 3.748 0.733) 4.003 2.001 ( 0.889 -0.068 -2.315) 2.481 2.001 ( -0.889 -0.068 2.315) 2.481 2.040 ( -0.496 1.651 -0.552) 1.810 2.040 ( 0.496 1.651 0.552) 1.810 2.070 ( -3.087 1.935 -0.386) 3.664 2.070 ( 3.087 1.935 0.386) 3.664 2.136 ( -1.907 2.081 0.127) 2.826 2.136 ( 1.907 2.081 -0.127) 2.826 2.170 ( -0.245 -0.951 -3.525) 3.659 2.170 ( 0.245 -0.951 3.525) 3.659 2.238 ( -0.817 -1.411 -1.551) 2.250 2.238 ( 0.817 -1.411 1.551) 2.250 2.265 ( -1.877 -1.434 -3.194) 3.972 2.265 ( 1.877 -1.434 3.194) 3.972 2.340 ( -0.025 -0.046 -0.125) 0.135 2.340 ( 0.025 -0.046 0.125) 0.135 2.483 ( 2.171 4.758 -2.439) 5.771 2.483 ( -2.171 4.758 2.439) 5.771 2.563 ( -1.255 -1.898 -0.077) 2.277 2.563 ( 1.255 -1.898 0.077) 2.277 2.638 ( -0.582 3.040 -2.335) 3.877 2.638 ( 0.582 3.040 2.335) 3.877 2.710 ( 0.143 0.129 -1.746) 1.757 2.710 ( -0.143 0.129 1.746) 1.757 2.767 ( -0.897 -1.219 -1.823) 2.369 2.767 ( 0.897 -1.219 1.823) 2.369 2.816 ( -0.035 -2.932 -0.674) 3.009 2.816 ( 0.035 -2.932 0.674) 3.009 3.014 ( -0.698 2.618 -0.735) 2.807 3.014 ( 0.698 2.618 0.735) 2.807 3.137 ( -0.209 -0.615 -2.281) 2.371 3.137 ( 0.209 -0.615 2.281) 2.371 3.179 ( -0.363 -0.790 -1.763) 1.965 3.179 ( 0.363 -0.790 1.763) 1.965 3.330 ( -0.193 -0.895 -2.894) 3.035 3.330 ( 0.193 -0.895 2.894) 3.035 3.502 ( 0.378 -1.687 -1.231) 2.122 3.502 ( -0.378 -1.687 1.231) 2.122 3.668 ( 0.724 -0.958 -1.600) 2.001 3.668 ( -0.724 -0.958 1.600) 2.001 3.801 ( -0.174 0.970 -0.654) 1.183 3.801 ( 0.174 0.970 0.654) 1.183 3.966 ( -0.383 0.781 -1.752) 1.956 3.966 ( 0.383 0.781 1.752) 1.956 3.992 ( -1.210 -1.608 -1.993) 2.832 3.992 ( 1.210 -1.608 1.993) 2.832 4.349 ( -0.603 1.266 -1.444) 2.013 4.349 ( 0.603 1.266 1.444) 2.013 4.416 ( -0.534 -0.845 -2.015) 2.250 4.416 ( 0.534 -0.845 2.015) 2.250 4.649 ( 1.550 1.070 -1.605) 2.474 4.649 ( -1.550 1.070 1.605) 2.474 4.762 ( 0.390 -0.355 -2.624) 2.676 4.762 ( -0.390 -0.355 2.624) 2.676 4.794 ( -1.132 -0.223 -2.604) 2.848 4.794 ( 1.132 -0.223 2.604) 2.848 4.978 ( 0.849 -0.159 -1.186) 1.467 4.978 ( -0.849 -0.159 1.186) 1.467 5.026 ( 0.536 0.385 -0.403) 0.773 5.026 ( -0.536 0.385 0.403) 0.773 5.327 ( 0.478 0.067 -0.688) 0.840 5.327 ( -0.478 0.067 0.688) 0.840 6.248 ( 0.299 -0.530 -0.459) 0.763 6.248 ( -0.299 -0.530 0.459) 0.763 6.280 ( 0.115 -0.212 -0.505) 0.560 6.280 ( -0.115 -0.212 0.505) 0.560 6.728 ( -0.126 0.662 -0.181) 0.698 6.728 ( 0.126 0.662 0.181) 0.698 6.751 ( -0.215 0.453 -0.127) 0.518 6.751 ( 0.215 0.453 0.127) 0.518 7.189 ( -0.079 0.530 -0.673) 0.861 7.189 ( 0.079 0.530 0.673) 0.861 7.319 ( -0.101 -0.763 -0.862) 1.156 7.319 ( 0.101 -0.763 0.862) 1.156 7.446 ( -0.475 1.162 -0.213) 1.273 7.446 ( 0.475 1.162 0.213) 1.273 7.525 ( -0.555 -2.530 -1.127) 2.825 7.525 ( 0.555 -2.530 1.127) 2.825 7.967 ( -1.749 2.943 -0.477) 3.456 7.967 ( 1.749 2.943 0.477) 3.456 8.056 ( -0.766 1.043 -0.138) 1.301 8.056 ( 0.766 1.043 0.138) 1.301 8.109 ( -1.276 -2.934 -0.894) 3.322 8.109 ( 1.276 -2.934 0.894) 3.322 8.340 ( -0.314 0.103 -0.094) 0.343 8.340 ( 0.314 0.103 0.094) 0.343 8.468 ( -0.861 1.279 -0.194) 1.554 8.468 ( 0.861 1.279 0.194) 1.554 8.510 ( -0.688 2.091 -1.975) 2.957 8.510 ( 0.688 2.091 1.975) 2.957 8.609 ( -0.501 1.225 -0.598) 1.452 8.609 ( 0.501 1.225 0.598) 1.452 8.677 ( 0.516 -1.061 -1.083) 1.601 8.677 ( -0.516 -1.061 1.083) 1.601 8.758 ( -1.380 0.478 0.302) 1.492 8.758 ( 1.380 0.478 -0.302) 1.492 8.785 ( 1.120 -0.514 -0.984) 1.578 8.785 ( -1.120 -0.514 0.984) 1.578 8.866 ( -0.003 0.145 -0.938) 0.949 8.866 ( 0.003 0.145 0.938) 0.949 8.950 ( 0.254 -1.251 -0.605) 1.413 8.950 ( -0.254 -1.251 0.605) 1.413 8.982 ( 0.072 3.016 -1.267) 3.272 8.982 ( -0.072 3.016 1.267) 3.272 9.089 ( -0.293 -4.371 -0.528) 4.413 9.089 ( 0.293 -4.371 0.528) 4.413 9.199 ( -0.177 -0.873 -0.826) 1.215 9.199 ( 0.177 -0.873 0.826) 1.215 9.305 ( -0.339 -0.604 -0.748) 1.019 9.305 ( 0.339 -0.604 0.748) 1.019 9.589 ( -0.263 1.263 -2.949) 3.219 9.589 ( 0.263 1.263 2.949) 3.219 9.670 ( 0.303 -2.915 -3.455) 4.531 9.670 ( -0.303 -2.915 3.455) 4.531 9.811 ( -0.673 2.141 -1.889) 2.934 9.811 ( 0.673 2.141 1.889) 2.934 9.867 ( -0.693 -0.800 -1.942) 2.211 9.867 ( 0.693 -0.800 1.942) 2.211 10.006 ( -0.130 0.599 -0.516) 0.801 10.006 ( 0.130 0.599 0.516) 0.801 10.023 ( 0.052 -0.585 -0.522) 0.786 10.023 ( -0.052 -0.585 0.522) 0.786 10.150 ( 0.174 0.551 -0.509) 0.770 10.150 ( -0.174 0.551 0.509) 0.770 10.215 ( -0.096 0.269 -0.283) 0.402 10.215 ( 0.096 0.269 0.283) 0.402 10.451 ( 0.481 0.313 -0.916) 1.081 10.451 ( -0.481 0.313 0.916) 1.081 10.490 ( 0.199 -0.415 -0.549) 0.716 10.490 ( -0.199 -0.415 0.549) 0.716 10.682 ( 0.145 2.348 -0.697) 2.454 10.682 ( -0.145 2.348 0.697) 2.454 10.725 ( 0.300 -1.773 -0.597) 1.895 10.725 ( -0.300 -1.773 0.597) 1.895 ======================= Grid point 96 (43/45) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.700 ( 3.729 1.270 -4.412) 5.915 0.731 ( 4.253 -0.395 -1.553) 4.545 0.844 ( 2.205 2.930 0.073) 3.668 0.900 ( -3.503 -2.121 1.989) 4.552 0.933 ( 3.155 3.911 1.398) 5.215 0.984 ( -0.983 -1.182 -1.810) 2.375 1.021 ( -2.010 1.986 1.117) 3.039 1.068 ( -0.327 0.144 4.261) 4.276 1.192 ( -1.863 -1.149 -2.643) 3.432 1.200 ( -0.625 -2.388 -0.230) 2.479 1.235 ( 0.009 2.584 0.458) 2.624 1.298 ( 0.889 -2.663 -0.736) 2.902 1.334 ( -0.291 -1.307 1.081) 1.720 1.363 ( 0.066 -0.784 -2.012) 2.160 1.393 ( -1.290 -4.068 -0.616) 4.312 1.416 ( 1.025 -3.587 -1.826) 4.153 1.459 ( 1.873 -0.489 3.322) 3.845 1.460 ( 0.714 -0.762 -1.059) 1.487 1.475 ( -1.550 -0.850 1.812) 2.532 1.501 ( 0.237 -1.834 -1.020) 2.112 1.548 ( 2.173 1.172 0.594) 2.539 1.580 ( 2.612 -0.339 2.809) 3.851 1.592 ( 1.357 -1.017 -1.671) 2.380 1.639 ( 1.091 -3.800 -0.122) 3.956 1.674 ( 0.362 1.595 2.166) 2.714 1.696 ( -1.245 0.288 -0.874) 1.548 1.719 ( -1.306 0.269 -1.049) 1.696 1.734 ( 0.182 0.167 -0.476) 0.536 1.737 ( -0.240 0.045 0.226) 0.333 1.763 ( -0.398 -1.225 1.314) 1.840 1.812 ( -1.201 1.489 -1.311) 2.319 1.845 ( -0.564 -0.616 1.339) 1.578 1.907 ( -2.987 3.973 0.232) 4.976 1.952 ( -3.288 1.642 1.209) 3.869 1.980 ( -2.840 1.011 1.324) 3.293 2.005 ( -0.883 2.052 -0.827) 2.382 2.024 ( 0.514 0.086 -1.592) 1.675 2.040 ( -0.303 -1.823 -1.276) 2.246 2.043 ( 1.159 1.625 -1.643) 2.585 2.084 ( -1.442 -0.788 -1.973) 2.567 2.094 ( -1.360 -0.350 1.272) 1.895 2.132 ( -1.351 -1.759 1.333) 2.587 2.182 ( -0.816 0.313 2.253) 2.416 2.184 ( -1.149 -0.579 0.891) 1.565 2.223 ( 3.120 3.847 -2.570) 5.581 2.232 ( -0.511 0.712 -1.400) 1.651 2.302 ( 3.980 1.493 0.140) 4.253 2.330 ( 4.393 -1.380 1.539) 4.855 2.355 ( 1.613 1.136 -1.497) 2.476 2.373 ( 2.183 -0.578 -0.657) 2.352 2.439 ( -1.727 5.571 2.378) 6.299 2.510 ( -0.631 0.903 -1.063) 1.531 2.556 ( 0.855 1.290 -0.022) 1.548 2.579 ( -0.079 2.180 -0.647) 2.275 2.615 ( -0.397 0.258 0.537) 0.717 2.660 ( 0.963 1.587 1.201) 2.211 2.697 ( -0.705 1.028 2.567) 2.854 2.732 ( 1.390 -0.672 -2.113) 2.617 2.740 ( -1.232 -0.112 0.373) 1.292 2.804 ( 2.455 -1.606 1.465) 3.280 2.834 ( 2.988 -0.990 -3.410) 4.641 2.870 ( 3.694 -1.473 -3.080) 5.030 3.002 ( -0.397 1.369 -0.584) 1.541 3.024 ( 0.289 1.455 1.931) 2.435 3.138 ( -0.119 0.627 1.476) 1.608 3.152 ( 0.596 1.694 -1.195) 2.157 3.171 ( 0.923 -1.827 0.030) 2.047 3.198 ( 1.677 -2.996 -0.993) 3.574 3.327 ( 0.115 0.345 -0.214) 0.422 3.348 ( 1.209 -1.633 1.412) 2.474 3.500 ( 0.223 -0.922 0.821) 1.255 3.522 ( 1.308 -2.984 -0.388) 3.281 3.622 ( -3.316 1.249 3.172) 4.756 3.654 ( -2.147 -2.268 0.713) 3.203 3.771 ( -1.921 0.538 -0.176) 2.002 3.789 ( -2.144 -0.844 0.647) 2.393 3.958 ( -1.040 0.569 -2.741) 2.986 3.969 ( -0.190 -0.390 -2.280) 2.321 3.980 ( 0.796 1.356 0.522) 1.657 4.018 ( 0.793 -1.856 0.907) 2.212 4.329 ( -1.113 3.304 -1.854) 3.949 4.364 ( 0.239 -0.620 0.330) 0.742 4.384 ( -2.297 -0.110 -0.853) 2.452 4.421 ( -0.703 -2.717 1.643) 3.252 4.624 ( -0.487 1.642 1.028) 1.997 4.662 ( -0.410 -2.209 0.371) 2.277 4.729 ( -0.383 4.332 1.287) 4.535 4.789 ( 1.232 -0.407 -2.123) 2.488 4.814 ( 0.907 -0.876 2.592) 2.883 4.830 ( 3.541 -1.571 -2.298) 4.504 4.994 ( 2.257 1.736 -0.374) 2.872 5.020 ( 3.086 -0.699 -1.926) 3.704 5.028 ( 0.650 1.165 1.608) 2.089 5.044 ( 1.055 -0.547 1.052) 1.587 5.314 ( -0.674 0.927 0.380) 1.207 5.333 ( 0.287 -0.939 -0.703) 1.207 6.248 ( 0.323 -0.210 0.678) 0.780 6.256 ( 0.328 -0.906 0.005) 0.963 6.288 ( 1.017 0.017 -0.289) 1.058 6.292 ( 0.920 -0.321 -0.501) 1.096 6.727 ( -0.011 0.711 -0.111) 0.719 6.732 ( 0.345 0.218 0.189) 0.450 6.754 ( 0.450 0.798 -0.062) 0.918 6.762 ( 0.783 0.064 0.005) 0.785 7.192 ( 0.439 0.576 -0.413) 0.834 7.196 ( 0.677 0.271 0.582) 0.933 7.307 ( -1.061 -0.402 -0.299) 1.173 7.314 ( -0.705 -0.948 0.371) 1.238 7.432 ( -0.827 1.302 -0.202) 1.556 7.446 ( -0.526 0.417 -0.158) 0.690 7.507 ( -1.146 -1.251 -0.792) 1.872 7.523 ( -0.799 -2.482 0.973) 2.783 7.939 ( -0.775 3.699 -0.919) 3.889 7.984 ( -0.442 0.610 0.444) 0.875 8.040 ( -0.806 0.486 -0.389) 1.018 8.063 ( -0.109 -0.904 0.816) 1.222 8.127 ( 3.229 0.166 -0.668) 3.302 8.162 ( 3.808 -2.553 0.641) 4.629 8.335 ( -0.146 0.861 -1.608) 1.830 8.346 ( 0.360 0.056 -1.198) 1.252 8.419 ( -2.894 0.997 1.111) 3.257 8.425 ( -3.472 0.813 1.823) 4.005 8.516 ( 0.632 3.309 0.119) 3.371 8.560 ( 2.391 -0.205 0.273) 2.416 8.593 ( -0.940 0.836 -0.221) 1.277 8.623 ( 0.228 0.006 0.037) 0.231 8.655 ( -0.649 1.146 0.545) 1.425 8.700 ( 1.174 -1.332 -0.767) 1.933 8.731 ( -1.172 1.229 0.355) 1.735 8.764 ( -0.505 -0.719 1.170) 1.463 8.789 ( 0.993 0.685 -0.622) 1.358 8.803 ( 0.616 0.029 -0.750) 0.971 8.854 ( -0.728 0.653 -0.238) 1.007 8.864 ( -0.616 -0.487 -0.443) 0.901 8.930 ( -1.895 -0.364 0.494) 1.992 8.952 ( -0.169 -1.003 -0.371) 1.083 8.974 ( -0.663 0.768 0.052) 1.016 8.976 ( -0.588 2.014 0.463) 2.148 9.069 ( -1.312 -3.577 0.117) 3.811 9.088 ( -0.973 -3.741 -0.109) 3.867 9.196 ( 0.045 -0.636 0.058) 0.640 9.204 ( 0.540 -1.629 0.051) 1.717 9.298 ( -0.265 0.137 -0.463) 0.550 9.310 ( 0.044 -0.863 0.409) 0.956 9.586 ( 0.100 1.770 -1.814) 2.536 9.606 ( 1.194 0.334 0.555) 1.359 9.652 ( -1.222 -1.467 2.985) 3.544 9.672 ( -0.100 -3.195 -1.671) 3.607 9.798 ( -0.704 2.041 -2.220) 3.097 9.824 ( 0.577 0.880 0.562) 1.193 9.844 ( -1.218 0.624 0.154) 1.377 9.882 ( 0.397 -1.663 1.314) 2.156 10.008 ( 0.765 0.890 0.049) 1.175 10.022 ( 1.112 -0.089 -0.502) 1.224 10.034 ( 1.123 -0.005 0.511) 1.234 10.042 ( 1.649 -0.385 -0.317) 1.723 10.150 ( 0.105 0.794 0.932) 1.229 10.156 ( 0.409 0.319 0.202) 0.556 10.203 ( -0.527 1.187 -0.523) 1.400 10.224 ( 0.339 -0.731 -0.493) 0.945 10.432 ( -1.370 0.849 0.781) 1.791 10.450 ( -0.609 -0.732 -0.627) 1.140 10.472 ( -1.213 0.696 -0.013) 1.399 10.490 ( -0.576 -0.907 -0.274) 1.109 10.684 ( 0.315 2.240 0.567) 2.332 10.689 ( 0.416 2.425 -0.427) 2.497 10.723 ( 0.202 -1.607 0.380) 1.664 10.733 ( 0.561 -1.915 -0.350) 2.026 ======================= Grid point 98 (44/45) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 3.480 2.146 -0.822) 4.170 0.819 ( 4.570 -1.287 -4.574) 6.593 0.862 ( 0.210 0.070 -0.619) 0.657 0.915 ( 2.924 -3.682 -0.046) 4.702 0.961 ( -0.972 0.809 -1.239) 1.770 0.976 ( 1.578 -0.358 -0.970) 1.887 1.030 ( 3.468 3.292 5.429) 7.234 1.074 ( 1.494 0.454 4.550) 4.811 1.172 ( -1.019 -1.407 -0.759) 1.895 1.180 ( -0.005 -4.930 0.133) 4.932 1.230 ( -1.177 -1.379 0.246) 1.829 1.276 ( -2.496 -1.254 -1.125) 3.011 1.319 ( -1.110 -1.504 1.039) 2.139 1.340 ( -1.144 -1.885 -1.255) 2.537 1.377 ( 0.378 0.770 -3.799) 3.895 1.428 ( -1.941 0.955 -0.115) 2.166 1.439 ( 0.783 -3.566 -0.528) 3.689 1.480 ( 0.603 -3.175 0.072) 3.232 1.495 ( 0.966 -0.001 0.606) 1.141 1.517 ( -0.007 -0.514 0.200) 0.552 1.599 ( -0.406 2.543 0.195) 2.583 1.606 ( 1.284 0.323 1.162) 1.761 1.620 ( -1.389 -0.605 1.290) 1.990 1.635 ( -1.088 -0.180 -0.397) 1.172 1.644 ( 0.266 -1.908 1.920) 2.720 1.679 ( -0.307 -2.205 -0.774) 2.357 1.706 ( -0.898 -0.844 0.262) 1.260 1.716 ( -0.126 1.579 1.698) 2.322 1.751 ( 0.337 -1.674 0.536) 1.790 1.765 ( 0.032 -1.391 0.418) 1.453 1.795 ( -0.698 -2.637 -0.051) 2.729 1.813 ( -1.294 -2.338 -0.168) 2.678 1.883 ( -0.392 1.168 -1.511) 1.949 1.890 ( -1.014 0.995 -1.469) 2.044 1.935 ( -1.318 3.496 1.557) 4.047 2.003 ( -0.504 0.655 -0.373) 0.907 2.018 ( -1.685 0.421 -0.145) 1.743 2.028 ( 0.052 -1.145 -0.064) 1.147 2.050 ( 0.059 -0.036 -1.043) 1.045 2.071 ( -0.030 2.838 -2.088) 3.524 2.085 ( -0.403 -1.503 0.217) 1.571 2.109 ( -1.564 0.045 2.246) 2.737 2.152 ( -0.447 0.749 3.299) 3.412 2.193 ( 1.995 -3.436 -2.068) 4.479 2.223 ( -0.440 2.749 -2.472) 3.723 2.278 ( 1.306 -1.321 -1.639) 2.478 2.354 ( 1.573 4.381 1.352) 4.847 2.384 ( 1.238 1.573 -1.265) 2.368 2.388 ( -0.178 3.442 1.181) 3.643 2.411 ( 1.873 0.179 -0.525) 1.953 2.462 ( 3.436 0.177 0.824) 3.537 2.485 ( -0.570 0.932 1.269) 1.675 2.549 ( -1.333 1.250 1.086) 2.126 2.590 ( 1.568 3.593 -2.100) 4.447 2.601 ( -1.420 0.165 -0.270) 1.455 2.678 ( 0.225 -0.251 0.096) 0.350 2.697 ( 0.818 0.517 2.946) 3.101 2.715 ( 0.734 -1.201 0.910) 1.676 2.790 ( 2.856 3.555 -1.768) 4.890 2.830 ( 0.441 2.604 -0.503) 2.688 2.888 ( 2.116 1.043 -2.473) 3.418 2.949 ( 3.708 2.759 -1.552) 4.876 2.996 ( -0.426 -4.241 -2.413) 4.898 3.029 ( 0.474 -0.745 2.778) 2.915 3.123 ( -0.566 2.773 3.020) 4.139 3.161 ( 0.259 0.633 -1.029) 1.236 3.221 ( 4.211 0.141 -1.045) 4.341 3.259 ( 4.122 -3.095 -3.371) 6.159 3.330 ( 0.240 0.877 0.049) 0.910 3.365 ( 0.173 -2.016 1.255) 2.381 3.502 ( -0.488 -0.708 0.671) 1.091 3.517 ( -3.123 -1.348 3.851) 5.138 3.586 ( 0.336 -0.272 0.391) 0.583 3.607 ( -1.391 -2.344 1.217) 2.985 3.736 ( -1.473 -0.179 1.185) 1.899 3.746 ( -1.750 -1.308 1.212) 2.499 3.933 ( -1.432 0.996 -3.073) 3.533 3.963 ( -0.666 -1.323 -2.851) 3.213 3.992 ( 0.190 1.089 0.356) 1.162 4.020 ( -0.572 -1.485 0.464) 1.658 4.307 ( -0.901 3.474 -3.191) 4.802 4.339 ( -2.086 -0.274 -0.719) 2.223 4.351 ( -1.605 -1.311 0.495) 2.131 4.387 ( -2.501 -3.512 3.176) 5.356 4.633 ( 1.362 1.490 -0.433) 2.065 4.666 ( 1.015 -1.710 0.143) 1.994 4.728 ( 0.160 4.213 2.086) 4.704 4.795 ( -0.935 -2.304 2.874) 3.800 4.862 ( 3.572 1.825 -3.111) 5.076 4.894 ( 3.237 -1.323 -3.829) 5.185 5.015 ( -0.712 2.147 2.068) 3.065 5.042 ( -0.365 -0.284 2.839) 2.876 5.072 ( 2.600 0.301 -0.493) 2.664 5.081 ( 2.937 -0.251 -1.066) 3.134 5.312 ( 0.654 1.542 -0.308) 1.703 5.342 ( 0.671 -1.454 -0.279) 1.626 6.256 ( 0.322 -0.221 0.765) 0.859 6.260 ( 0.152 -0.573 -0.024) 0.594 6.310 ( 1.088 -0.198 -0.440) 1.190 6.311 ( 0.912 -0.157 -0.385) 1.002 6.728 ( 0.144 0.584 -0.054) 0.604 6.739 ( 0.252 -0.471 0.073) 0.539 6.765 ( 0.671 0.915 0.142) 1.144 6.777 ( 0.639 -0.177 -0.159) 0.681 7.206 ( 0.971 0.549 -0.153) 1.126 7.215 ( 1.210 -0.162 0.477) 1.311 7.283 ( -1.422 0.009 -0.213) 1.438 7.295 ( -1.240 -0.995 0.118) 1.594 7.420 ( -0.436 0.942 0.015) 1.038 7.432 ( -0.680 -0.111 -0.244) 0.731 7.484 ( -1.181 -0.239 -0.386) 1.265 7.498 ( -1.558 -1.520 0.546) 2.244 7.933 ( -0.009 3.206 -1.270) 3.449 7.964 ( -1.241 2.001 1.040) 2.574 8.029 ( -0.261 -1.824 -1.073) 2.133 8.053 ( -0.769 -2.397 1.033) 2.721 8.197 ( 3.224 1.792 -0.130) 3.691 8.233 ( 3.028 -1.234 -0.176) 3.275 8.330 ( -0.832 1.629 -0.753) 1.978 8.356 ( -0.598 -0.497 0.191) 0.800 8.370 ( -0.516 1.227 0.379) 1.384 8.391 ( 0.694 -0.066 -0.014) 0.697 8.522 ( -0.182 2.387 0.223) 2.404 8.557 ( -1.868 -1.275 -0.613) 2.343 8.604 ( 0.871 0.091 0.118) 0.883 8.613 ( 0.473 -0.720 0.668) 1.090 8.667 ( 1.331 2.875 0.785) 3.264 8.711 ( -0.362 -0.047 0.561) 0.670 8.728 ( 1.226 1.531 -0.338) 1.990 8.767 ( 0.668 -1.049 1.039) 1.620 8.791 ( -0.572 1.294 -0.768) 1.609 8.807 ( -0.488 1.166 0.038) 1.265 8.835 ( -1.977 1.159 -0.919) 2.469 8.850 ( -0.134 -1.251 -0.686) 1.433 8.890 ( -1.712 -0.629 1.047) 2.103 8.933 ( -2.513 1.024 -0.323) 2.733 8.952 ( 0.147 -2.757 0.283) 2.775 8.981 ( 0.303 -0.983 0.018) 1.029 9.036 ( -1.979 -2.052 -0.863) 2.978 9.055 ( -2.329 -3.776 0.112) 4.438 9.206 ( 1.030 -0.012 0.165) 1.043 9.222 ( 1.212 -1.531 0.742) 2.089 9.291 ( -0.584 0.471 -0.375) 0.839 9.304 ( -0.684 -0.643 -0.131) 0.948 9.591 ( 0.397 1.968 -1.660) 2.605 9.625 ( -0.438 -0.998 3.142) 3.326 9.635 ( 0.661 0.778 0.148) 1.032 9.671 ( 0.014 -2.937 -1.266) 3.198 9.786 ( -0.423 1.653 -2.201) 2.785 9.817 ( -1.169 -0.391 -0.609) 1.375 9.839 ( 0.644 1.111 0.930) 1.586 9.883 ( -0.282 -2.045 1.359) 2.472 10.030 ( 1.340 0.894 -0.002) 1.611 10.048 ( 1.458 -0.720 -0.230) 1.642 10.056 ( 1.038 1.123 0.368) 1.573 10.074 ( 1.438 -0.383 -0.331) 1.524 10.151 ( 0.020 0.634 0.959) 1.150 10.158 ( -0.309 0.101 0.449) 0.554 10.204 ( 0.644 1.516 -0.762) 1.815 10.228 ( 0.111 -0.917 -0.249) 0.957 10.407 ( -1.093 1.232 0.245) 1.665 10.431 ( -1.141 -1.193 -0.117) 1.655 10.449 ( -1.053 1.124 -0.594) 1.651 10.472 ( -1.227 -1.005 0.085) 1.589 10.691 ( 0.340 2.151 0.350) 2.206 10.695 ( 0.222 2.427 -0.036) 2.438 10.732 ( 0.600 -1.486 -0.115) 1.606 10.743 ( 0.413 -1.923 0.003) 1.967 ======================= Grid point 100 (45/45) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 2.11e-04 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 71 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.828 ( 1.883 4.865 -0.375) 5.230 0.859 ( -0.904 4.155 -0.089) 4.253 0.900 ( 3.033 -3.559 -2.367) 5.241 0.933 ( -0.514 -1.070 0.722) 1.390 0.961 ( 1.361 -1.046 -0.266) 1.737 0.985 ( -0.733 -1.885 -0.310) 2.046 1.113 ( 2.548 -1.075 1.288) 3.051 1.128 ( 2.642 -2.347 2.631) 4.406 1.150 ( 0.127 -1.715 1.206) 2.101 1.188 ( -1.339 -2.147 -0.071) 2.531 1.210 ( 0.986 -3.234 -0.361) 3.400 1.239 ( -1.974 -4.752 -1.153) 5.274 1.303 ( 0.396 -0.724 -0.336) 0.891 1.329 ( -1.099 -2.722 0.111) 2.937 1.397 ( 2.432 1.544 -2.916) 4.099 1.419 ( 0.894 1.964 0.327) 2.182 1.438 ( -0.173 -2.326 -1.004) 2.539 1.474 ( -2.221 -0.382 1.432) 2.670 1.510 ( 0.749 -1.467 -0.158) 1.655 1.516 ( 0.107 -0.213 0.704) 0.743 1.552 ( -2.179 1.582 -0.885) 2.835 1.565 ( -2.265 -0.826 0.026) 2.411 1.592 ( 0.473 0.129 1.290) 1.380 1.630 ( -0.446 -0.471 2.392) 2.478 1.643 ( -2.377 -1.422 0.963) 2.933 1.655 ( -2.699 -3.383 -2.029) 4.780 1.712 ( 0.656 -0.318 -0.035) 0.730 1.721 ( -0.178 -0.973 0.330) 1.043 1.746 ( 1.148 -3.174 -0.670) 3.441 1.762 ( 0.077 -3.292 1.059) 3.459 1.802 ( 1.619 0.722 -0.215) 1.785 1.821 ( 0.518 -0.813 -1.050) 1.425 1.888 ( 0.533 1.463 1.147) 1.934 1.900 ( 0.316 -0.065 -1.638) 1.670 1.933 ( 1.326 0.561 0.405) 1.496 1.970 ( -2.370 -1.623 -0.069) 2.873 1.995 ( 0.173 1.625 -1.173) 2.011 2.023 ( -1.467 -0.792 1.433) 2.199 2.051 ( 0.300 1.905 0.089) 1.930 2.066 ( -1.157 2.380 -0.722) 2.743 2.081 ( 0.118 -0.075 -2.484) 2.488 2.081 ( -0.404 0.266 3.391) 3.425 2.172 ( 2.220 2.925 0.241) 3.680 2.208 ( -1.058 4.116 -0.533) 4.283 2.252 ( 2.754 -4.262 -3.629) 6.238 2.279 ( -0.589 -2.853 2.346) 3.741 2.341 ( -0.857 3.470 -0.474) 3.605 2.367 ( -2.093 1.338 -0.119) 2.487 2.417 ( 1.064 2.189 1.207) 2.716 2.431 ( -0.504 0.632 -1.893) 2.058 2.470 ( 2.167 2.726 3.093) 4.658 2.512 ( -1.137 1.481 0.059) 1.868 2.538 ( 1.037 -1.996 1.705) 2.822 2.567 ( -1.682 -1.422 -1.185) 2.501 2.640 ( 2.812 3.176 -2.542) 4.945 2.674 ( -0.634 1.251 0.870) 1.650 2.722 ( 1.257 0.459 0.552) 1.448 2.734 ( 0.345 -0.598 0.883) 1.121 2.827 ( 1.218 3.617 -2.236) 4.423 2.839 ( 0.369 3.603 0.742) 3.697 2.912 ( 1.157 0.359 -0.699) 1.398 2.953 ( -2.516 -1.218 0.258) 2.807 3.016 ( 2.042 0.089 -1.847) 2.755 3.038 ( -0.114 -0.919 1.530) 1.789 3.136 ( 1.726 3.197 2.246) 4.272 3.162 ( -0.453 1.653 -1.517) 2.289 3.303 ( 1.144 0.596 -0.985) 1.623 3.313 ( 2.970 0.317 -1.146) 3.199 3.348 ( 1.088 0.189 -2.060) 2.337 3.378 ( 3.246 -3.129 -2.025) 4.942 3.437 ( -4.505 0.806 4.189) 6.204 3.460 ( -3.683 -2.217 2.907) 5.190 3.599 ( 2.020 0.768 0.573) 2.236 3.624 ( 0.468 -1.268 -0.418) 1.415 3.721 ( -0.205 -0.366 0.970) 1.057 3.724 ( -0.604 -0.833 0.605) 1.194 3.914 ( 0.036 -0.957 -0.510) 1.085 3.939 ( -1.822 -2.390 -2.366) 3.825 3.990 ( 0.028 -0.034 0.200) 0.205 4.001 ( -1.057 -1.078 -0.049) 1.510 4.303 ( 0.258 1.164 -7.139) 7.238 4.315 ( -0.198 -0.446 4.143) 4.172 4.316 ( -1.203 -0.697 3.053) 3.355 4.342 ( -2.108 -1.924 0.058) 2.855 4.668 ( 1.962 1.559 -0.908) 2.666 4.688 ( 0.455 0.061 0.027) 0.460 4.734 ( 0.759 1.877 1.419) 2.472 4.765 ( -1.980 -0.681 1.235) 2.431 4.926 ( 3.054 1.315 -3.140) 4.573 4.954 ( 2.720 -1.279 -4.485) 5.399 4.983 ( -2.077 1.604 2.896) 3.908 5.012 ( -2.432 -1.256 4.096) 4.927 5.115 ( 1.457 0.911 -0.769) 1.883 5.120 ( 0.963 0.537 0.092) 1.106 5.334 ( 1.355 0.855 -0.715) 1.754 5.350 ( -0.124 -0.646 0.396) 0.768 6.260 ( 0.122 -0.217 0.495) 0.554 6.261 ( -0.032 -0.330 -0.206) 0.390 6.324 ( 0.414 -0.114 -0.194) 0.471 6.325 ( 0.366 -0.217 -0.122) 0.443 6.732 ( 0.336 0.185 -0.029) 0.384 6.739 ( -0.251 -0.362 0.013) 0.441 6.778 ( 0.567 0.390 0.291) 0.747 6.783 ( 0.032 -0.104 -0.280) 0.300 7.228 ( 1.351 0.479 0.082) 1.436 7.241 ( 1.439 -0.481 0.231) 1.534 7.255 ( -1.404 0.194 -0.217) 1.434 7.269 ( -1.441 -0.867 -0.000) 1.682 7.417 ( 0.144 0.327 0.087) 0.367 7.423 ( -0.389 -0.181 -0.102) 0.441 7.467 ( -0.462 -0.041 -0.155) 0.489 7.472 ( -0.992 -0.523 0.159) 1.133 7.935 ( 0.238 3.128 -1.122) 3.332 7.945 ( -0.762 2.972 1.098) 3.259 8.029 ( 0.315 -2.727 -0.981) 2.915 8.039 ( -0.668 -2.902 0.856) 3.099 8.243 ( 1.874 1.905 -0.358) 2.696 8.265 ( 0.220 0.337 0.009) 0.403 8.307 ( -0.516 0.147 -0.152) 0.558 8.325 ( -1.676 -1.164 1.057) 2.298 8.404 ( 2.408 2.382 -1.473) 3.694 8.423 ( 1.042 1.094 0.784) 1.702 8.506 ( -0.740 0.005 0.069) 0.743 8.520 ( -1.772 -0.815 -0.444) 2.000 8.631 ( 1.929 0.494 0.072) 1.993 8.638 ( 1.239 0.125 -0.042) 1.246 8.685 ( 0.713 2.453 0.756) 2.664 8.710 ( -0.207 -0.380 0.045) 0.435 8.756 ( 1.318 1.811 0.631) 2.327 8.766 ( -1.017 0.508 0.459) 1.226 8.771 ( -1.132 1.792 -0.698) 2.232 8.792 ( -1.639 1.477 -0.403) 2.242 8.806 ( 1.028 -0.801 0.802) 1.530 8.838 ( -1.553 -2.137 -1.111) 2.866 8.878 ( 0.240 -0.394 0.701) 0.839 8.892 ( -1.346 -0.232 -0.533) 1.466 8.962 ( 0.992 -3.447 0.541) 3.627 8.982 ( -0.405 -3.372 0.029) 3.397 9.006 ( -0.927 -1.032 -0.758) 1.581 9.010 ( -1.784 -2.066 -0.114) 2.732 9.230 ( 1.347 0.346 -0.105) 1.394 9.242 ( 0.507 -0.632 1.096) 1.363 9.278 ( -0.418 0.221 -0.136) 0.492 9.287 ( -0.966 -0.462 -0.622) 1.238 9.599 ( 0.452 1.715 -1.808) 2.532 9.609 ( -0.714 0.915 2.615) 2.861 9.656 ( 0.989 -0.771 0.203) 1.270 9.669 ( -0.300 -2.086 -0.766) 2.243 9.784 ( 0.258 1.307 -1.650) 2.121 9.796 ( -0.948 0.810 0.688) 1.424 9.855 ( 0.971 -1.040 -0.535) 1.520 9.872 ( -0.808 -1.977 1.187) 2.443 10.053 ( 1.008 1.003 -0.328) 1.459 10.065 ( -0.093 1.040 0.617) 1.213 10.075 ( 1.205 -0.519 -0.185) 1.325 10.089 ( -0.023 -0.574 -0.175) 0.600 10.151 ( -0.027 0.082 0.784) 0.788 10.152 ( -0.169 0.033 -0.280) 0.329 10.218 ( 0.676 1.076 -0.351) 1.318 10.227 ( -0.260 0.136 0.158) 0.334 10.398 ( 0.213 1.218 -0.192) 1.252 10.411 ( -0.981 0.404 0.195) 1.079 10.437 ( -0.040 -0.349 -0.806) 0.879 10.448 ( -1.060 -0.956 0.516) 1.518 10.696 ( 0.157 2.202 0.119) 2.211 10.697 ( 0.013 2.298 0.048) 2.299 10.743 ( 0.466 -1.544 -0.313) 1.643 10.747 ( -0.010 -1.762 0.240) 1.779 =================== 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 3/23520 10.0 6.729 5.864 7.586 0.000 -0.726 0.000 3/23520 20.0 1.341 1.184 1.510 0.000 -0.106 0.000 3/23520 30.0 0.703 0.654 0.798 0.000 -0.050 0.000 3/23520 40.0 0.485 0.465 0.555 0.000 -0.035 0.000 3/23520 50.0 0.375 0.366 0.433 0.000 -0.029 0.000 3/23520 60.0 0.308 0.304 0.358 0.000 -0.025 0.000 3/23520 70.0 0.262 0.260 0.306 0.000 -0.022 0.000 3/23520 80.0 0.229 0.228 0.268 0.000 -0.020 0.000 3/23520 90.0 0.203 0.204 0.239 0.000 -0.018 0.000 3/23520 100.0 0.183 0.185 0.215 0.000 -0.017 0.000 3/23520 110.0 0.167 0.169 0.196 0.000 -0.015 0.000 3/23520 120.0 0.153 0.155 0.181 0.000 -0.014 0.000 3/23520 130.0 0.142 0.144 0.167 0.000 -0.013 0.000 3/23520 140.0 0.132 0.135 0.156 0.000 -0.012 0.000 3/23520 150.0 0.123 0.126 0.146 0.000 -0.012 0.000 3/23520 160.0 0.116 0.119 0.137 0.000 -0.011 0.000 3/23520 170.0 0.109 0.112 0.129 0.000 -0.010 0.000 3/23520 180.0 0.103 0.106 0.122 0.000 -0.010 0.000 3/23520 190.0 0.098 0.101 0.116 0.000 -0.009 0.000 3/23520 200.0 0.093 0.096 0.110 0.000 -0.009 0.000 3/23520 210.0 0.089 0.092 0.105 0.000 -0.008 0.000 3/23520 220.0 0.085 0.088 0.101 0.000 -0.008 0.000 3/23520 230.0 0.082 0.085 0.097 0.000 -0.008 0.000 3/23520 240.0 0.078 0.081 0.093 0.000 -0.007 0.000 3/23520 250.0 0.075 0.078 0.089 0.000 -0.007 0.000 3/23520 260.0 0.072 0.075 0.086 0.000 -0.007 0.000 3/23520 270.0 0.070 0.073 0.083 0.000 -0.007 0.000 3/23520 280.0 0.067 0.070 0.080 0.000 -0.006 0.000 3/23520 290.0 0.065 0.068 0.077 0.000 -0.006 0.000 3/23520 300.0 0.063 0.066 0.075 0.000 -0.006 0.000 3/23520 310.0 0.061 0.064 0.072 0.000 -0.006 0.000 3/23520 320.0 0.059 0.062 0.070 0.000 -0.006 0.000 3/23520 330.0 0.057 0.060 0.068 0.000 -0.005 0.000 3/23520 340.0 0.056 0.058 0.066 0.000 -0.005 0.000 3/23520 350.0 0.054 0.057 0.064 0.000 -0.005 0.000 3/23520 360.0 0.053 0.055 0.062 0.000 -0.005 0.000 3/23520 370.0 0.051 0.054 0.061 0.000 -0.005 0.000 3/23520 380.0 0.050 0.052 0.059 0.000 -0.005 0.000 3/23520 390.0 0.049 0.051 0.058 0.000 -0.005 0.000 3/23520 400.0 0.047 0.050 0.056 0.000 -0.004 0.000 3/23520 410.0 0.046 0.048 0.055 0.000 -0.004 0.000 3/23520 420.0 0.045 0.047 0.054 0.000 -0.004 0.000 3/23520 430.0 0.044 0.046 0.052 0.000 -0.004 0.000 3/23520 440.0 0.043 0.045 0.051 0.000 -0.004 0.000 3/23520 450.0 0.042 0.044 0.050 0.000 -0.004 0.000 3/23520 460.0 0.041 0.043 0.049 0.000 -0.004 0.000 3/23520 470.0 0.040 0.042 0.048 0.000 -0.004 0.000 3/23520 480.0 0.040 0.042 0.047 0.000 -0.004 0.000 3/23520 490.0 0.039 0.041 0.046 0.000 -0.004 0.000 3/23520 500.0 0.038 0.040 0.045 0.000 -0.004 0.000 3/23520 510.0 0.037 0.039 0.044 0.000 -0.003 0.000 3/23520 520.0 0.037 0.038 0.043 0.000 -0.003 0.000 3/23520 530.0 0.036 0.038 0.043 0.000 -0.003 0.000 3/23520 540.0 0.035 0.037 0.042 0.000 -0.003 0.000 3/23520 550.0 0.035 0.036 0.041 0.000 -0.003 0.000 3/23520 560.0 0.034 0.036 0.040 0.000 -0.003 0.000 3/23520 570.0 0.033 0.035 0.040 0.000 -0.003 0.000 3/23520 580.0 0.033 0.035 0.039 0.000 -0.003 0.000 3/23520 590.0 0.032 0.034 0.038 0.000 -0.003 0.000 3/23520 600.0 0.032 0.033 0.038 0.000 -0.003 0.000 3/23520 610.0 0.031 0.033 0.037 0.000 -0.003 0.000 3/23520 620.0 0.031 0.032 0.036 0.000 -0.003 0.000 3/23520 630.0 0.030 0.032 0.036 0.000 -0.003 0.000 3/23520 640.0 0.030 0.031 0.035 0.000 -0.003 0.000 3/23520 650.0 0.029 0.031 0.035 0.000 -0.003 0.000 3/23520 660.0 0.029 0.030 0.034 0.000 -0.003 0.000 3/23520 670.0 0.028 0.030 0.034 0.000 -0.003 0.000 3/23520 680.0 0.028 0.029 0.033 0.000 -0.003 0.000 3/23520 690.0 0.028 0.029 0.033 0.000 -0.003 0.000 3/23520 700.0 0.027 0.029 0.032 0.000 -0.003 0.000 3/23520 710.0 0.027 0.028 0.032 0.000 -0.003 0.000 3/23520 720.0 0.026 0.028 0.031 0.000 -0.002 0.000 3/23520 730.0 0.026 0.028 0.031 0.000 -0.002 0.000 3/23520 740.0 0.026 0.027 0.031 0.000 -0.002 0.000 3/23520 750.0 0.025 0.027 0.030 0.000 -0.002 0.000 3/23520 760.0 0.025 0.026 0.030 0.000 -0.002 0.000 3/23520 770.0 0.025 0.026 0.029 0.000 -0.002 0.000 3/23520 780.0 0.024 0.026 0.029 0.000 -0.002 0.000 3/23520 790.0 0.024 0.025 0.029 0.000 -0.002 0.000 3/23520 800.0 0.024 0.025 0.028 0.000 -0.002 0.000 3/23520 810.0 0.024 0.025 0.028 0.000 -0.002 0.000 3/23520 820.0 0.023 0.025 0.028 0.000 -0.002 0.000 3/23520 830.0 0.023 0.024 0.027 0.000 -0.002 0.000 3/23520 840.0 0.023 0.024 0.027 0.000 -0.002 0.000 3/23520 850.0 0.022 0.024 0.027 0.000 -0.002 0.000 3/23520 860.0 0.022 0.023 0.026 0.000 -0.002 0.000 3/23520 870.0 0.022 0.023 0.026 0.000 -0.002 0.000 3/23520 880.0 0.022 0.023 0.026 0.000 -0.002 0.000 3/23520 890.0 0.021 0.023 0.025 0.000 -0.002 0.000 3/23520 900.0 0.021 0.022 0.025 0.000 -0.002 0.000 3/23520 910.0 0.021 0.022 0.025 0.000 -0.002 0.000 3/23520 920.0 0.021 0.022 0.025 0.000 -0.002 0.000 3/23520 930.0 0.021 0.022 0.024 0.000 -0.002 0.000 3/23520 940.0 0.020 0.021 0.024 0.000 -0.002 0.000 3/23520 950.0 0.020 0.021 0.024 0.000 -0.002 0.000 3/23520 960.0 0.020 0.021 0.024 0.000 -0.002 0.000 3/23520 970.0 0.020 0.021 0.023 0.000 -0.002 0.000 3/23520 980.0 0.019 0.021 0.023 0.000 -0.002 0.000 3/23520 990.0 0.019 0.020 0.023 0.000 -0.002 0.000 3/23520 1000.0 0.019 0.020 0.023 0.000 -0.002 0.000 3/23520 Thermal conductivity related properties were written into "kappa-m754.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:22:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|