----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:06:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.473470309999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.922395119999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582548409999998 Atomic positions (fractional): *1 Cd 0.29661797281635 0.91255863349339 0.92185072316485 112.411 2 Cd 0.29661797281635 0.58744136650661 0.42185072316485 112.411 *3 Cd 0.08779491310884 0.93559848932432 0.70823804606981 112.411 *4 Cd 0.09486448446096 0.01501397571805 0.07196528806655 112.411 5 Cd 0.59486448446096 0.01501397571805 0.42803471193345 112.411 6 Cd 0.41220508689116 0.06440151067568 0.20823804606981 112.411 *7 Cd 0.45728869537484 0.21313003578555 0.93131312886708 112.411 8 Cd 0.45728869537484 0.28686996421445 0.43131312886708 112.411 9 Cd 0.95728869537484 0.21313003578555 0.56868687113292 112.411 10 Cd 0.54271130462516 0.78686996421445 0.06868687113292 112.411 11 Cd 0.58779491310884 0.93559848932432 0.79176195393019 112.411 12 Cd 0.54271130462516 0.71313003578555 0.56868687113292 112.411 13 Cd 0.20338202718365 0.08744136650661 0.42185072316485 112.411 14 Cd 0.04271130462516 0.71313003578555 0.93131312886708 112.411 15 Cd 0.09486448446096 0.48498602428194 0.57196528806655 112.411 16 Cd 0.95728869537484 0.28686996421445 0.06868687113292 112.411 17 Cd 0.90513551553904 0.98498602428195 0.92803471193345 112.411 18 Cd 0.41220508689116 0.43559848932432 0.70823804606981 112.411 19 Cd 0.08779491310884 0.56440151067568 0.20823804606981 112.411 20 Cd 0.40513551553904 0.51501397571805 0.07196528806655 112.411 21 Cd 0.70338202718365 0.08744136650661 0.07814927683515 112.411 22 Cd 0.59486448446096 0.48498602428194 0.92803471193345 112.411 23 Cd 0.91220508689116 0.06440151067568 0.29176195393019 112.411 24 Cd 0.20338202718365 0.41255863349339 0.92185072316485 112.411 25 Cd 0.90513551553904 0.51501397571805 0.42803471193345 112.411 26 Cd 0.91220508689116 0.43559848932432 0.79176195393019 112.411 27 Cd 0.04271130462516 0.78686996421445 0.43131312886708 112.411 28 Cd 0.40513551553904 0.98498602428195 0.57196528806655 112.411 29 Cd 0.79661797281635 0.91255863349339 0.57814927683515 112.411 30 Cd 0.70338202718365 0.41255863349339 0.57814927683515 112.411 31 Cd 0.58779491310884 0.56440151067568 0.29176195393019 112.411 32 Cd 0.79661797281635 0.58744136650661 0.07814927683515 112.411 *33 P 0.05378127253286 0.45366260262215 0.04896947362509 30.974 *34 P 0.59453142183319 0.89605759871811 0.59663355582304 30.974 35 P 0.05378127253286 0.04633739737785 0.54896947362509 30.974 36 P 0.40546857816681 0.39605759871811 0.90336644417696 30.974 37 P 0.94621872746714 0.54633739737785 0.95103052637491 30.974 38 P 0.09453142183319 0.89605759871811 0.90336644417696 30.974 39 P 0.59453142183319 0.60394240128189 0.09663355582304 30.974 40 P 0.09453142183319 0.60394240128189 0.40336644417696 30.974 41 P 0.44621872746714 0.54633739737785 0.54896947362509 30.974 42 P 0.90546857816681 0.10394240128189 0.09663355582304 30.974 43 P 0.94621872746714 0.95366260262215 0.45103052637491 30.974 44 P 0.90546857816681 0.39605759871811 0.59663355582304 30.974 45 P 0.44621872746714 0.95366260262215 0.04896947362509 30.974 46 P 0.55378127253286 0.45366260262215 0.45103052637491 30.974 47 P 0.55378127253286 0.04633739737785 0.95103052637491 30.974 48 P 0.40546857816681 0.10394240128189 0.40336644417696 30.974 *49 I 0.18528477559876 0.57897318458867 0.75470702192379 126.904 *50 I 0.74737379807152 0.31958233286081 0.92892866330735 126.904 51 I 0.68528477559876 0.57897318458867 0.74529297807621 126.904 52 I 0.75262620192848 0.68041766713920 0.42892866330735 126.904 53 I 0.31471522440124 0.42102681541133 0.25470702192379 126.904 *54 I 0.56359714894864 0.25501116888569 0.67507078104790 126.904 55 I 0.81471522440124 0.07897318458867 0.74529297807621 126.904 56 I 0.24737379807152 0.31958233286081 0.57107133669265 126.904 57 I 0.56359714894864 0.24498883111431 0.17507078104790 126.904 58 I 0.06359714894864 0.25501116888569 0.82492921895210 126.904 59 I 0.68528477559876 0.92102681541133 0.24529297807621 126.904 60 I 0.43640285105136 0.74498883111431 0.32492921895210 126.904 61 I 0.81471522440124 0.42102681541133 0.24529297807621 126.904 62 I 0.43640285105136 0.75501116888569 0.82492921895210 126.904 63 I 0.75262620192848 0.81958233286080 0.92892866330735 126.904 64 I 0.25262620192848 0.81958233286080 0.57107133669265 126.904 65 I 0.93640285105136 0.75501116888569 0.67507078104790 126.904 66 I 0.31471522440124 0.07897318458867 0.75470702192379 126.904 67 I 0.25262620192848 0.68041766713920 0.07107133669265 126.904 68 I 0.93640285105136 0.74498883111431 0.17507078104790 126.904 69 I 0.74737379807152 0.18041766713919 0.42892866330735 126.904 70 I 0.18528477559876 0.92102681541133 0.25470702192379 126.904 71 I 0.06359714894864 0.24498883111431 0.32492921895210 126.904 72 I 0.24737379807152 0.18041766713919 0.07107133669265 126.904 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.473470309999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.922395119999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582548409999998 Atomic positions (fractional): *1 Cd 0.29661797281635 0.91255863349339 0.92185072316485 112.411 > 1 2 Cd 0.29661797281635 0.58744136650661 0.42185072316485 112.411 > 2 *3 Cd 0.08779491310884 0.93559848932432 0.70823804606981 112.411 > 3 *4 Cd 0.09486448446096 0.01501397571805 0.07196528806655 112.411 > 4 5 Cd 0.59486448446096 0.01501397571805 0.42803471193345 112.411 > 5 6 Cd 0.41220508689116 0.06440151067568 0.20823804606981 112.411 > 6 *7 Cd 0.45728869537484 0.21313003578555 0.93131312886708 112.411 > 7 8 Cd 0.45728869537484 0.28686996421445 0.43131312886708 112.411 > 8 9 Cd 0.95728869537484 0.21313003578555 0.56868687113292 112.411 > 9 10 Cd 0.54271130462516 0.78686996421445 0.06868687113292 112.411 > 10 11 Cd 0.58779491310884 0.93559848932432 0.79176195393019 112.411 > 11 12 Cd 0.54271130462516 0.71313003578555 0.56868687113292 112.411 > 12 13 Cd 0.20338202718365 0.08744136650661 0.42185072316485 112.411 > 13 14 Cd 0.04271130462516 0.71313003578555 0.93131312886708 112.411 > 14 15 Cd 0.09486448446096 0.48498602428194 0.57196528806655 112.411 > 15 16 Cd 0.95728869537484 0.28686996421445 0.06868687113292 112.411 > 16 17 Cd 0.90513551553904 0.98498602428195 0.92803471193345 112.411 > 17 18 Cd 0.41220508689116 0.43559848932432 0.70823804606981 112.411 > 18 19 Cd 0.08779491310884 0.56440151067568 0.20823804606981 112.411 > 19 20 Cd 0.40513551553904 0.51501397571805 0.07196528806655 112.411 > 20 21 Cd 0.70338202718365 0.08744136650661 0.07814927683515 112.411 > 21 22 Cd 0.59486448446096 0.48498602428194 0.92803471193345 112.411 > 22 23 Cd 0.91220508689116 0.06440151067568 0.29176195393019 112.411 > 23 24 Cd 0.20338202718365 0.41255863349339 0.92185072316485 112.411 > 24 25 Cd 0.90513551553904 0.51501397571805 0.42803471193345 112.411 > 25 26 Cd 0.91220508689116 0.43559848932432 0.79176195393019 112.411 > 26 27 Cd 0.04271130462516 0.78686996421445 0.43131312886708 112.411 > 27 28 Cd 0.40513551553904 0.98498602428195 0.57196528806655 112.411 > 28 29 Cd 0.79661797281635 0.91255863349339 0.57814927683515 112.411 > 29 30 Cd 0.70338202718365 0.41255863349339 0.57814927683515 112.411 > 30 31 Cd 0.58779491310884 0.56440151067568 0.29176195393019 112.411 > 31 32 Cd 0.79661797281635 0.58744136650661 0.07814927683515 112.411 > 32 *33 P 0.05378127253286 0.45366260262215 0.04896947362509 30.974 > 33 *34 P 0.59453142183319 0.89605759871811 0.59663355582304 30.974 > 34 35 P 0.05378127253286 0.04633739737785 0.54896947362509 30.974 > 35 36 P 0.40546857816681 0.39605759871811 0.90336644417696 30.974 > 36 37 P 0.94621872746714 0.54633739737785 0.95103052637491 30.974 > 37 38 P 0.09453142183319 0.89605759871811 0.90336644417696 30.974 > 38 39 P 0.59453142183319 0.60394240128189 0.09663355582304 30.974 > 39 40 P 0.09453142183319 0.60394240128189 0.40336644417696 30.974 > 40 41 P 0.44621872746714 0.54633739737785 0.54896947362509 30.974 > 41 42 P 0.90546857816681 0.10394240128189 0.09663355582304 30.974 > 42 43 P 0.94621872746714 0.95366260262215 0.45103052637491 30.974 > 43 44 P 0.90546857816681 0.39605759871811 0.59663355582304 30.974 > 44 45 P 0.44621872746714 0.95366260262215 0.04896947362509 30.974 > 45 46 P 0.55378127253286 0.45366260262215 0.45103052637491 30.974 > 46 47 P 0.55378127253286 0.04633739737785 0.95103052637491 30.974 > 47 48 P 0.40546857816681 0.10394240128189 0.40336644417696 30.974 > 48 *49 I 0.18528477559876 0.57897318458867 0.75470702192379 126.904 > 49 *50 I 0.74737379807152 0.31958233286081 0.92892866330735 126.904 > 50 51 I 0.68528477559876 0.57897318458867 0.74529297807621 126.904 > 51 52 I 0.75262620192848 0.68041766713920 0.42892866330735 126.904 > 52 53 I 0.31471522440124 0.42102681541133 0.25470702192379 126.904 > 53 *54 I 0.56359714894864 0.25501116888569 0.67507078104790 126.904 > 54 55 I 0.81471522440124 0.07897318458867 0.74529297807621 126.904 > 55 56 I 0.24737379807152 0.31958233286081 0.57107133669265 126.904 > 56 57 I 0.56359714894864 0.24498883111431 0.17507078104790 126.904 > 57 58 I 0.06359714894864 0.25501116888569 0.82492921895210 126.904 > 58 59 I 0.68528477559876 0.92102681541133 0.24529297807621 126.904 > 59 60 I 0.43640285105136 0.74498883111431 0.32492921895210 126.904 > 60 61 I 0.81471522440124 0.42102681541133 0.24529297807621 126.904 > 61 62 I 0.43640285105136 0.75501116888569 0.82492921895210 126.904 > 62 63 I 0.75262620192848 0.81958233286080 0.92892866330735 126.904 > 63 64 I 0.25262620192848 0.81958233286080 0.57107133669265 126.904 > 64 65 I 0.93640285105136 0.75501116888569 0.67507078104790 126.904 > 65 66 I 0.31471522440124 0.07897318458867 0.75470702192379 126.904 > 66 67 I 0.25262620192848 0.68041766713920 0.07107133669265 126.904 > 67 68 I 0.93640285105136 0.74498883111431 0.17507078104790 126.904 > 68 69 I 0.74737379807152 0.18041766713919 0.42892866330735 126.904 > 69 70 I 0.18528477559876 0.92102681541133 0.25470702192379 126.904 > 70 71 I 0.06359714894864 0.24498883111431 0.32492921895210 126.904 > 71 72 I 0.24737379807152 0.18041766713919 0.07107133669265 126.904 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 24.946940619999996 0.000000000000000 0.000000000000000 b 0.000000000000000 12.922395119999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582548409999998 Atomic positions (fractional): *1 Cd 0.14830898640818 0.91255863349339 0.92185072316485 112.411 > 1 2 Cd 0.64830898640818 0.91255863349339 0.92185072316485 112.411 > 1 3 Cd 0.14830898640818 0.58744136650661 0.42185072316485 112.411 > 2 4 Cd 0.64830898640818 0.58744136650661 0.42185072316485 112.411 > 2 *5 Cd 0.04389745655442 0.93559848932432 0.70823804606981 112.411 > 3 6 Cd 0.54389745655442 0.93559848932432 0.70823804606981 112.411 > 3 *7 Cd 0.04743224223048 0.01501397571805 0.07196528806655 112.411 > 4 8 Cd 0.54743224223048 0.01501397571805 0.07196528806655 112.411 > 4 9 Cd 0.29743224223048 0.01501397571805 0.42803471193345 112.411 > 5 10 Cd 0.79743224223048 0.01501397571805 0.42803471193345 112.411 > 5 11 Cd 0.20610254344558 0.06440151067568 0.20823804606981 112.411 > 6 12 Cd 0.70610254344558 0.06440151067568 0.20823804606981 112.411 > 6 *13 Cd 0.22864434768742 0.21313003578555 0.93131312886708 112.411 > 7 14 Cd 0.72864434768742 0.21313003578555 0.93131312886708 112.411 > 7 15 Cd 0.22864434768742 0.28686996421445 0.43131312886708 112.411 > 8 16 Cd 0.72864434768742 0.28686996421445 0.43131312886708 112.411 > 8 17 Cd 0.47864434768742 0.21313003578555 0.56868687113292 112.411 > 9 18 Cd 0.97864434768742 0.21313003578555 0.56868687113292 112.411 > 9 19 Cd 0.27135565231258 0.78686996421445 0.06868687113292 112.411 > 10 20 Cd 0.77135565231258 0.78686996421445 0.06868687113292 112.411 > 10 21 Cd 0.29389745655442 0.93559848932432 0.79176195393019 112.411 > 11 22 Cd 0.79389745655442 0.93559848932432 0.79176195393019 112.411 > 11 23 Cd 0.27135565231258 0.71313003578555 0.56868687113292 112.411 > 12 24 Cd 0.77135565231258 0.71313003578555 0.56868687113292 112.411 > 12 25 Cd 0.10169101359182 0.08744136650661 0.42185072316485 112.411 > 13 26 Cd 0.60169101359182 0.08744136650661 0.42185072316485 112.411 > 13 27 Cd 0.02135565231258 0.71313003578555 0.93131312886708 112.411 > 14 28 Cd 0.52135565231258 0.71313003578555 0.93131312886708 112.411 > 14 29 Cd 0.04743224223048 0.48498602428194 0.57196528806655 112.411 > 15 30 Cd 0.54743224223048 0.48498602428194 0.57196528806655 112.411 > 15 31 Cd 0.47864434768742 0.28686996421445 0.06868687113292 112.411 > 16 32 Cd 0.97864434768742 0.28686996421445 0.06868687113292 112.411 > 16 33 Cd 0.45256775776952 0.98498602428195 0.92803471193345 112.411 > 17 34 Cd 0.95256775776952 0.98498602428195 0.92803471193345 112.411 > 17 35 Cd 0.20610254344558 0.43559848932432 0.70823804606981 112.411 > 18 36 Cd 0.70610254344558 0.43559848932432 0.70823804606981 112.411 > 18 37 Cd 0.04389745655442 0.56440151067568 0.20823804606981 112.411 > 19 38 Cd 0.54389745655442 0.56440151067568 0.20823804606981 112.411 > 19 39 Cd 0.20256775776952 0.51501397571805 0.07196528806655 112.411 > 20 40 Cd 0.70256775776952 0.51501397571805 0.07196528806655 112.411 > 20 41 Cd 0.35169101359182 0.08744136650661 0.07814927683515 112.411 > 21 42 Cd 0.85169101359182 0.08744136650661 0.07814927683515 112.411 > 21 43 Cd 0.29743224223048 0.48498602428194 0.92803471193345 112.411 > 22 44 Cd 0.79743224223048 0.48498602428194 0.92803471193345 112.411 > 22 45 Cd 0.45610254344558 0.06440151067568 0.29176195393019 112.411 > 23 46 Cd 0.95610254344558 0.06440151067568 0.29176195393019 112.411 > 23 47 Cd 0.10169101359182 0.41255863349339 0.92185072316485 112.411 > 24 48 Cd 0.60169101359182 0.41255863349339 0.92185072316485 112.411 > 24 49 Cd 0.45256775776952 0.51501397571805 0.42803471193345 112.411 > 25 50 Cd 0.95256775776952 0.51501397571805 0.42803471193345 112.411 > 25 51 Cd 0.45610254344558 0.43559848932432 0.79176195393019 112.411 > 26 52 Cd 0.95610254344558 0.43559848932432 0.79176195393019 112.411 > 26 53 Cd 0.02135565231258 0.78686996421445 0.43131312886708 112.411 > 27 54 Cd 0.52135565231258 0.78686996421445 0.43131312886708 112.411 > 27 55 Cd 0.20256775776952 0.98498602428195 0.57196528806655 112.411 > 28 56 Cd 0.70256775776952 0.98498602428195 0.57196528806655 112.411 > 28 57 Cd 0.39830898640818 0.91255863349339 0.57814927683515 112.411 > 29 58 Cd 0.89830898640818 0.91255863349339 0.57814927683515 112.411 > 29 59 Cd 0.35169101359182 0.41255863349339 0.57814927683515 112.411 > 30 60 Cd 0.85169101359182 0.41255863349339 0.57814927683515 112.411 > 30 61 Cd 0.29389745655442 0.56440151067568 0.29176195393019 112.411 > 31 62 Cd 0.79389745655442 0.56440151067568 0.29176195393019 112.411 > 31 63 Cd 0.39830898640818 0.58744136650661 0.07814927683515 112.411 > 32 64 Cd 0.89830898640818 0.58744136650661 0.07814927683515 112.411 > 32 *65 P 0.02689063626643 0.45366260262215 0.04896947362509 30.974 > 33 66 P 0.52689063626643 0.45366260262215 0.04896947362509 30.974 > 33 *67 P 0.29726571091660 0.89605759871811 0.59663355582304 30.974 > 34 68 P 0.79726571091660 0.89605759871811 0.59663355582304 30.974 > 34 69 P 0.02689063626643 0.04633739737785 0.54896947362509 30.974 > 35 70 P 0.52689063626643 0.04633739737785 0.54896947362509 30.974 > 35 71 P 0.20273428908340 0.39605759871811 0.90336644417696 30.974 > 36 72 P 0.70273428908340 0.39605759871811 0.90336644417696 30.974 > 36 73 P 0.47310936373357 0.54633739737785 0.95103052637491 30.974 > 37 74 P 0.97310936373357 0.54633739737785 0.95103052637491 30.974 > 37 75 P 0.04726571091660 0.89605759871811 0.90336644417696 30.974 > 38 76 P 0.54726571091660 0.89605759871811 0.90336644417696 30.974 > 38 77 P 0.29726571091660 0.60394240128189 0.09663355582304 30.974 > 39 78 P 0.79726571091660 0.60394240128189 0.09663355582304 30.974 > 39 79 P 0.04726571091660 0.60394240128189 0.40336644417696 30.974 > 40 80 P 0.54726571091660 0.60394240128189 0.40336644417696 30.974 > 40 81 P 0.22310936373357 0.54633739737785 0.54896947362509 30.974 > 41 82 P 0.72310936373357 0.54633739737785 0.54896947362509 30.974 > 41 83 P 0.45273428908340 0.10394240128189 0.09663355582304 30.974 > 42 84 P 0.95273428908340 0.10394240128189 0.09663355582304 30.974 > 42 85 P 0.47310936373357 0.95366260262215 0.45103052637491 30.974 > 43 86 P 0.97310936373357 0.95366260262215 0.45103052637491 30.974 > 43 87 P 0.45273428908340 0.39605759871811 0.59663355582304 30.974 > 44 88 P 0.95273428908340 0.39605759871811 0.59663355582304 30.974 > 44 89 P 0.22310936373357 0.95366260262215 0.04896947362509 30.974 > 45 90 P 0.72310936373357 0.95366260262215 0.04896947362509 30.974 > 45 91 P 0.27689063626643 0.45366260262215 0.45103052637491 30.974 > 46 92 P 0.77689063626643 0.45366260262215 0.45103052637491 30.974 > 46 93 P 0.27689063626643 0.04633739737785 0.95103052637491 30.974 > 47 94 P 0.77689063626643 0.04633739737785 0.95103052637491 30.974 > 47 95 P 0.20273428908340 0.10394240128189 0.40336644417696 30.974 > 48 96 P 0.70273428908340 0.10394240128189 0.40336644417696 30.974 > 48 *97 I 0.09264238779938 0.57897318458867 0.75470702192379 126.904 > 49 98 I 0.59264238779938 0.57897318458867 0.75470702192379 126.904 > 49 *99 I 0.37368689903576 0.31958233286081 0.92892866330735 126.904 > 50 100 I 0.87368689903576 0.31958233286081 0.92892866330735 126.904 > 50 101 I 0.34264238779938 0.57897318458867 0.74529297807621 126.904 > 51 102 I 0.84264238779938 0.57897318458867 0.74529297807621 126.904 > 51 103 I 0.37631310096424 0.68041766713920 0.42892866330735 126.904 > 52 104 I 0.87631310096424 0.68041766713920 0.42892866330735 126.904 > 52 105 I 0.15735761220062 0.42102681541133 0.25470702192379 126.904 > 53 106 I 0.65735761220062 0.42102681541133 0.25470702192379 126.904 > 53 *107 I 0.28179857447432 0.25501116888569 0.67507078104790 126.904 > 54 108 I 0.78179857447432 0.25501116888569 0.67507078104790 126.904 > 54 109 I 0.40735761220062 0.07897318458867 0.74529297807621 126.904 > 55 110 I 0.90735761220062 0.07897318458867 0.74529297807621 126.904 > 55 111 I 0.12368689903576 0.31958233286081 0.57107133669265 126.904 > 56 112 I 0.62368689903576 0.31958233286081 0.57107133669265 126.904 > 56 113 I 0.28179857447432 0.24498883111431 0.17507078104790 126.904 > 57 114 I 0.78179857447432 0.24498883111431 0.17507078104790 126.904 > 57 115 I 0.03179857447432 0.25501116888569 0.82492921895210 126.904 > 58 116 I 0.53179857447432 0.25501116888569 0.82492921895210 126.904 > 58 117 I 0.34264238779938 0.92102681541133 0.24529297807621 126.904 > 59 118 I 0.84264238779938 0.92102681541133 0.24529297807621 126.904 > 59 119 I 0.21820142552568 0.74498883111431 0.32492921895210 126.904 > 60 120 I 0.71820142552568 0.74498883111431 0.32492921895210 126.904 > 60 121 I 0.40735761220062 0.42102681541133 0.24529297807621 126.904 > 61 122 I 0.90735761220062 0.42102681541133 0.24529297807621 126.904 > 61 123 I 0.21820142552568 0.75501116888569 0.82492921895210 126.904 > 62 124 I 0.71820142552568 0.75501116888569 0.82492921895210 126.904 > 62 125 I 0.37631310096424 0.81958233286080 0.92892866330735 126.904 > 63 126 I 0.87631310096424 0.81958233286080 0.92892866330735 126.904 > 63 127 I 0.12631310096424 0.81958233286080 0.57107133669265 126.904 > 64 128 I 0.62631310096424 0.81958233286080 0.57107133669265 126.904 > 64 129 I 0.46820142552568 0.75501116888569 0.67507078104790 126.904 > 65 130 I 0.96820142552568 0.75501116888569 0.67507078104790 126.904 > 65 131 I 0.15735761220062 0.07897318458867 0.75470702192379 126.904 > 66 132 I 0.65735761220062 0.07897318458867 0.75470702192379 126.904 > 66 133 I 0.12631310096424 0.68041766713920 0.07107133669265 126.904 > 67 134 I 0.62631310096424 0.68041766713920 0.07107133669265 126.904 > 67 135 I 0.46820142552568 0.74498883111431 0.17507078104790 126.904 > 68 136 I 0.96820142552568 0.74498883111431 0.17507078104790 126.904 > 68 137 I 0.37368689903576 0.18041766713919 0.42892866330735 126.904 > 69 138 I 0.87368689903576 0.18041766713919 0.42892866330735 126.904 > 69 139 I 0.09264238779938 0.92102681541133 0.25470702192379 126.904 > 70 140 I 0.59264238779938 0.92102681541133 0.25470702192379 126.904 > 70 141 I 0.03179857447432 0.24498883111431 0.32492921895210 126.904 > 71 142 I 0.53179857447432 0.24498883111431 0.32492921895210 126.904 > 71 143 I 0.12368689903576 0.18041766713919 0.07107133669265 126.904 > 72 144 I 0.62368689903576 0.18041766713919 0.07107133669265 126.904 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8783182 0.0000000 0.0000000 0.0000000 8.0375176 0.0000000 0.0000000 0.0000000 8.5265298 -------------------------- Born effective charges -------------------------- 1 Cd 2.8234126 0.0681679 0.0120552 -0.0091890 1.8631803 -0.2204338 -0.0410053 -0.2562452 1.8762636 2 Cd 2.8234126 -0.0681679 0.0120552 0.0091890 1.8631803 0.2204338 -0.0410053 0.2562452 1.8762636 3 Cd 2.1121245 0.2416467 0.0101293 0.1435265 1.6477413 -0.0978367 0.0679900 -0.0246844 2.6427377 4 Cd 2.6347402 -0.0758673 0.0519892 -0.1344964 1.9550180 0.3229173 0.1385388 0.2025965 2.3048328 5 Cd 2.6347402 -0.0758673 -0.0519892 -0.1344964 1.9550180 -0.3229173 -0.1385388 -0.2025965 2.3048328 6 Cd 2.1121245 0.2416467 -0.0101293 0.1435265 1.6477413 0.0978367 -0.0679900 0.0246844 2.6427377 7 Cd 1.7920618 -0.0828300 -0.0835989 0.1056849 2.4084610 -0.4169643 -0.0137562 -0.0977403 2.1212788 8 Cd 1.7920618 0.0828300 -0.0835989 -0.1056849 2.4084610 0.4169643 -0.0137562 0.0977403 2.1212788 9 Cd 1.7920618 -0.0828300 0.0835989 0.1056849 2.4084610 0.4169643 0.0137562 0.0977403 2.1212788 10 Cd 1.7920618 -0.0828300 -0.0835989 0.1056849 2.4084610 -0.4169643 -0.0137562 -0.0977403 2.1212788 11 Cd 2.1121245 0.2416467 -0.0101293 0.1435265 1.6477413 0.0978367 -0.0679900 0.0246844 2.6427377 12 Cd 1.7920618 0.0828300 -0.0835989 -0.1056849 2.4084610 0.4169643 -0.0137562 0.0977403 2.1212788 13 Cd 2.8234126 0.0681679 -0.0120552 -0.0091890 1.8631803 0.2204338 0.0410053 0.2562452 1.8762636 14 Cd 1.7920618 0.0828300 0.0835989 -0.1056849 2.4084610 -0.4169643 0.0137562 -0.0977403 2.1212788 15 Cd 2.6347402 0.0758673 0.0519892 0.1344964 1.9550180 -0.3229173 0.1385388 -0.2025965 2.3048328 16 Cd 1.7920618 0.0828300 0.0835989 -0.1056849 2.4084610 -0.4169643 0.0137562 -0.0977403 2.1212788 17 Cd 2.6347402 -0.0758673 0.0519892 -0.1344964 1.9550180 0.3229173 0.1385388 0.2025965 2.3048328 18 Cd 2.1121245 -0.2416467 -0.0101293 -0.1435265 1.6477413 -0.0978367 -0.0679900 -0.0246844 2.6427377 19 Cd 2.1121245 -0.2416467 0.0101293 -0.1435265 1.6477413 0.0978367 0.0679900 0.0246844 2.6427377 20 Cd 2.6347402 0.0758673 -0.0519892 0.1344964 1.9550180 0.3229173 -0.1385388 0.2025965 2.3048328 21 Cd 2.8234126 0.0681679 0.0120552 -0.0091890 1.8631803 -0.2204338 -0.0410053 -0.2562452 1.8762636 22 Cd 2.6347402 0.0758673 -0.0519892 0.1344964 1.9550180 0.3229173 -0.1385388 0.2025965 2.3048328 23 Cd 2.1121245 0.2416467 0.0101293 0.1435265 1.6477413 -0.0978367 0.0679900 -0.0246844 2.6427377 24 Cd 2.8234126 -0.0681679 -0.0120552 0.0091890 1.8631803 -0.2204338 0.0410053 -0.2562452 1.8762636 25 Cd 2.6347402 0.0758673 0.0519892 0.1344964 1.9550180 -0.3229173 0.1385388 -0.2025965 2.3048328 26 Cd 2.1121245 -0.2416467 0.0101293 -0.1435265 1.6477413 0.0978367 0.0679900 0.0246844 2.6427377 27 Cd 1.7920618 -0.0828300 0.0835989 0.1056849 2.4084610 0.4169643 0.0137562 0.0977403 2.1212788 28 Cd 2.6347402 -0.0758673 -0.0519892 -0.1344964 1.9550180 -0.3229173 -0.1385388 -0.2025965 2.3048328 29 Cd 2.8234126 0.0681679 -0.0120552 -0.0091890 1.8631803 0.2204338 0.0410053 0.2562452 1.8762636 30 Cd 2.8234126 -0.0681679 0.0120552 0.0091890 1.8631803 0.2204338 -0.0410053 0.2562452 1.8762636 31 Cd 2.1121245 -0.2416467 -0.0101293 -0.1435265 1.6477413 -0.0978367 -0.0679900 -0.0246844 2.6427377 32 Cd 2.8234126 -0.0681679 -0.0120552 0.0091890 1.8631803 -0.2204338 0.0410053 -0.2562452 1.8762636 33 P -1.1149919 -0.2187176 0.0541722 -0.0459729 -1.0828004 -0.2854794 0.2392055 -0.1238480 -1.2117171 34 P -2.9115965 0.2706281 -0.0226723 0.1584583 -1.8768654 0.1857050 -0.1779273 0.1192736 -2.2773332 35 P -1.1149919 0.2187176 0.0541722 0.0459729 -1.0828004 0.2854794 0.2392055 0.1238480 -1.2117171 36 P -2.9115965 -0.2706281 -0.0226723 -0.1584583 -1.8768654 -0.1857050 -0.1779273 -0.1192736 -2.2773332 37 P -1.1149919 -0.2187176 0.0541722 -0.0459729 -1.0828004 -0.2854794 0.2392055 -0.1238480 -1.2117171 38 P -2.9115965 0.2706281 0.0226723 0.1584583 -1.8768654 -0.1857050 0.1779273 -0.1192736 -2.2773332 39 P -2.9115965 -0.2706281 -0.0226723 -0.1584583 -1.8768654 -0.1857050 -0.1779273 -0.1192736 -2.2773332 40 P -2.9115965 -0.2706281 0.0226723 -0.1584583 -1.8768654 0.1857050 0.1779273 0.1192736 -2.2773332 41 P -1.1149919 -0.2187176 -0.0541722 -0.0459729 -1.0828004 0.2854794 -0.2392055 0.1238480 -1.2117171 42 P -2.9115965 0.2706281 0.0226723 0.1584583 -1.8768654 -0.1857050 0.1779273 -0.1192736 -2.2773332 43 P -1.1149919 0.2187176 0.0541722 0.0459729 -1.0828004 0.2854794 0.2392055 0.1238480 -1.2117171 44 P -2.9115965 -0.2706281 0.0226723 -0.1584583 -1.8768654 0.1857050 0.1779273 0.1192736 -2.2773332 45 P -1.1149919 0.2187176 -0.0541722 0.0459729 -1.0828004 -0.2854794 -0.2392055 -0.1238480 -1.2117171 46 P -1.1149919 -0.2187176 -0.0541722 -0.0459729 -1.0828004 0.2854794 -0.2392055 0.1238480 -1.2117171 47 P -1.1149919 0.2187176 -0.0541722 0.0459729 -1.0828004 -0.2854794 -0.2392055 -0.1238480 -1.2117171 48 P -2.9115965 0.2706281 -0.0226723 0.1584583 -1.8768654 0.1857050 -0.1779273 0.1192736 -2.2773332 49 I -1.4522652 0.4217159 -0.0679128 0.2372911 -1.3352518 -0.0504334 -0.1380692 -0.0918049 -2.3015972 50 I -2.3574059 0.2740561 0.0786083 0.3036977 -1.7828767 0.4703065 -0.1425261 0.3676563 -1.1707262 51 I -1.4522652 0.4217159 0.0679128 0.2372911 -1.3352518 0.0504334 0.1380692 0.0918049 -2.3015972 52 I -2.3574059 0.2740561 -0.0786083 0.3036977 -1.7828767 -0.4703065 0.1425261 -0.3676563 -1.1707262 53 I -1.4522652 0.4217159 0.0679128 0.2372911 -1.3352518 0.0504334 0.1380692 0.0918049 -2.3015972 54 I -1.5260796 0.1321535 0.2477981 -0.0150553 -1.7966064 0.2164056 0.4195255 0.2185549 -1.9837392 55 I -1.4522652 -0.4217159 -0.0679128 -0.2372911 -1.3352518 0.0504334 -0.1380692 0.0918049 -2.3015972 56 I -2.3574059 0.2740561 -0.0786083 0.3036977 -1.7828767 -0.4703065 0.1425261 -0.3676563 -1.1707262 57 I -1.5260796 -0.1321535 0.2477981 0.0150553 -1.7966064 -0.2164056 0.4195255 -0.2185549 -1.9837392 58 I -1.5260796 0.1321535 -0.2477981 -0.0150553 -1.7966064 -0.2164056 -0.4195255 -0.2185549 -1.9837392 59 I -1.4522652 -0.4217159 0.0679128 -0.2372911 -1.3352518 -0.0504334 0.1380692 -0.0918049 -2.3015972 60 I -1.5260796 0.1321535 0.2477981 -0.0150553 -1.7966064 0.2164056 0.4195255 0.2185549 -1.9837392 61 I -1.4522652 0.4217159 -0.0679128 0.2372911 -1.3352518 -0.0504334 -0.1380692 -0.0918049 -2.3015972 62 I -1.5260796 -0.1321535 0.2477981 0.0150553 -1.7966064 -0.2164056 0.4195255 -0.2185549 -1.9837392 63 I -2.3574059 -0.2740561 -0.0786083 -0.3036977 -1.7828767 0.4703065 0.1425261 0.3676563 -1.1707262 64 I -2.3574059 -0.2740561 0.0786083 -0.3036977 -1.7828767 -0.4703065 -0.1425261 -0.3676563 -1.1707262 65 I -1.5260796 -0.1321535 -0.2477981 0.0150553 -1.7966064 0.2164056 -0.4195255 0.2185549 -1.9837392 66 I -1.4522652 -0.4217159 0.0679128 -0.2372911 -1.3352518 -0.0504334 0.1380692 -0.0918049 -2.3015972 67 I -2.3574059 0.2740561 0.0786083 0.3036977 -1.7828767 0.4703065 -0.1425261 0.3676563 -1.1707262 68 I -1.5260796 0.1321535 -0.2477981 -0.0150553 -1.7966064 -0.2164056 -0.4195255 -0.2185549 -1.9837392 69 I -2.3574059 -0.2740561 0.0786083 -0.3036977 -1.7828767 -0.4703065 -0.1425261 -0.3676563 -1.1707262 70 I -1.4522652 -0.4217159 -0.0679128 -0.2372911 -1.3352518 0.0504334 -0.1380692 0.0918049 -2.3015972 71 I -1.5260796 -0.1321535 -0.2477981 0.0150553 -1.7966064 0.2164056 -0.4195255 0.2185549 -1.9837392 72 I -2.3574059 -0.2740561 -0.0786083 -0.3036977 -1.7828767 0.4703065 0.1425261 0.3676563 -1.1707262 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 196 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 196 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 196 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. Tree of FC basis block matrices: - (5994, 5913), data: False |-- (702, 693), data: False |-- (702, 6), data: (702, 15) @ (15, 6) |-- (202, 196), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 6), data: (702, 15) @ (15, 6) |-- (202, 196), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 6), data: (702, 15) @ (15, 6) |-- (202, 196), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 36), data: (1296, 54) @ (54, 36) |-- (296, 278), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 36), data: (1296, 54) @ (54, 36) |-- (296, 278), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.015 Solver_block: 200 / 1120 - Time: 1.803 Solver_block: 300 / 1120 - Time: 1.809 Solver_block: 400 / 1120 - Time: 1.805 Solver_block: 500 / 1120 - Time: 1.805 Solver_block: 600 / 1120 - Time: 1.808 Solver_block: 700 / 1120 - Time: 1.807 Solver_block: 800 / 1120 - Time: 1.807 Solver_block: 900 / 1120 - Time: 1.812 Solver_block: 1000 / 1120 - Time: 1.808 Solver_block: 1100 / 1120 - Time: 1.808 Solver_block: 1120 / 1120 - Time: 0.591 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.197 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 52 (1) Compute compressed projector. (1) Use standard solver. (1) 34 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 54 (1) Compute compressed projector. (1) Use standard solver. (1) 36 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 196 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 196 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 196 eigenvectors found. (1) Complementary block size: 15 (1) Compute compressed projector. (1) Use standard solver. (1) 6 eigenvectors found. Tree of FC basis block matrices: - (5994, 5913), data: False |-- (702, 693), data: False |-- (702, 6), data: (702, 15) @ (15, 6) |-- (202, 196), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 6), data: (702, 15) @ (15, 6) |-- (202, 196), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 6), data: (702, 15) @ (15, 6) |-- (202, 196), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1278), data: False |-- (1296, 36), data: (1296, 54) @ (54, 36) |-- (296, 278), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 34), data: (1296, 52) @ (52, 34) |-- (296, 280), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 36), data: (1296, 54) @ (54, 36) |-- (296, 278), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:07:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:07:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.473470309999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.922395119999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582548409999998 Atomic positions (fractional): 1 Cd 0.29661797281635 0.91255863349339 0.92185072316485 112.411 2 Cd 0.29661797281635 0.58744136650661 0.42185072316485 112.411 3 Cd 0.08779491310884 0.93559848932432 0.70823804606981 112.411 4 Cd 0.09486448446096 0.01501397571805 0.07196528806655 112.411 5 Cd 0.59486448446096 0.01501397571805 0.42803471193345 112.411 6 Cd 0.41220508689116 0.06440151067568 0.20823804606981 112.411 7 Cd 0.45728869537484 0.21313003578555 0.93131312886708 112.411 8 Cd 0.45728869537484 0.28686996421445 0.43131312886708 112.411 9 Cd 0.95728869537484 0.21313003578555 0.56868687113292 112.411 10 Cd 0.54271130462516 0.78686996421445 0.06868687113292 112.411 11 Cd 0.58779491310884 0.93559848932432 0.79176195393019 112.411 12 Cd 0.54271130462516 0.71313003578555 0.56868687113292 112.411 13 Cd 0.20338202718365 0.08744136650661 0.42185072316485 112.411 14 Cd 0.04271130462516 0.71313003578555 0.93131312886708 112.411 15 Cd 0.09486448446096 0.48498602428194 0.57196528806655 112.411 16 Cd 0.95728869537484 0.28686996421445 0.06868687113292 112.411 17 Cd 0.90513551553904 0.98498602428195 0.92803471193345 112.411 18 Cd 0.41220508689116 0.43559848932432 0.70823804606981 112.411 19 Cd 0.08779491310884 0.56440151067568 0.20823804606981 112.411 20 Cd 0.40513551553904 0.51501397571805 0.07196528806655 112.411 21 Cd 0.70338202718365 0.08744136650661 0.07814927683515 112.411 22 Cd 0.59486448446096 0.48498602428194 0.92803471193345 112.411 23 Cd 0.91220508689116 0.06440151067568 0.29176195393019 112.411 24 Cd 0.20338202718365 0.41255863349339 0.92185072316485 112.411 25 Cd 0.90513551553904 0.51501397571805 0.42803471193345 112.411 26 Cd 0.91220508689116 0.43559848932432 0.79176195393019 112.411 27 Cd 0.04271130462516 0.78686996421445 0.43131312886708 112.411 28 Cd 0.40513551553904 0.98498602428195 0.57196528806655 112.411 29 Cd 0.79661797281635 0.91255863349339 0.57814927683515 112.411 30 Cd 0.70338202718365 0.41255863349339 0.57814927683515 112.411 31 Cd 0.58779491310884 0.56440151067568 0.29176195393019 112.411 32 Cd 0.79661797281635 0.58744136650661 0.07814927683515 112.411 33 P 0.05378127253286 0.45366260262215 0.04896947362509 30.974 34 P 0.59453142183319 0.89605759871811 0.59663355582304 30.974 35 P 0.05378127253286 0.04633739737785 0.54896947362509 30.974 36 P 0.40546857816681 0.39605759871811 0.90336644417696 30.974 37 P 0.94621872746714 0.54633739737785 0.95103052637491 30.974 38 P 0.09453142183319 0.89605759871811 0.90336644417696 30.974 39 P 0.59453142183319 0.60394240128189 0.09663355582304 30.974 40 P 0.09453142183319 0.60394240128189 0.40336644417696 30.974 41 P 0.44621872746714 0.54633739737785 0.54896947362509 30.974 42 P 0.90546857816681 0.10394240128189 0.09663355582304 30.974 43 P 0.94621872746714 0.95366260262215 0.45103052637491 30.974 44 P 0.90546857816681 0.39605759871811 0.59663355582304 30.974 45 P 0.44621872746714 0.95366260262215 0.04896947362509 30.974 46 P 0.55378127253286 0.45366260262215 0.45103052637491 30.974 47 P 0.55378127253286 0.04633739737785 0.95103052637491 30.974 48 P 0.40546857816681 0.10394240128189 0.40336644417696 30.974 49 I 0.18528477559876 0.57897318458867 0.75470702192379 126.904 50 I 0.74737379807152 0.31958233286081 0.92892866330735 126.904 51 I 0.68528477559876 0.57897318458867 0.74529297807621 126.904 52 I 0.75262620192848 0.68041766713920 0.42892866330735 126.904 53 I 0.31471522440124 0.42102681541133 0.25470702192379 126.904 54 I 0.56359714894864 0.25501116888569 0.67507078104790 126.904 55 I 0.81471522440124 0.07897318458867 0.74529297807621 126.904 56 I 0.24737379807152 0.31958233286081 0.57107133669265 126.904 57 I 0.56359714894864 0.24498883111431 0.17507078104790 126.904 58 I 0.06359714894864 0.25501116888569 0.82492921895210 126.904 59 I 0.68528477559876 0.92102681541133 0.24529297807621 126.904 60 I 0.43640285105136 0.74498883111431 0.32492921895210 126.904 61 I 0.81471522440124 0.42102681541133 0.24529297807621 126.904 62 I 0.43640285105136 0.75501116888569 0.82492921895210 126.904 63 I 0.75262620192848 0.81958233286080 0.92892866330735 126.904 64 I 0.25262620192848 0.81958233286080 0.57107133669265 126.904 65 I 0.93640285105136 0.75501116888569 0.67507078104790 126.904 66 I 0.31471522440124 0.07897318458867 0.75470702192379 126.904 67 I 0.25262620192848 0.68041766713920 0.07107133669265 126.904 68 I 0.93640285105136 0.74498883111431 0.17507078104790 126.904 69 I 0.74737379807152 0.18041766713919 0.42892866330735 126.904 70 I 0.18528477559876 0.92102681541133 0.25470702192379 126.904 71 I 0.06359714894864 0.24498883111431 0.32492921895210 126.904 72 I 0.24737379807152 0.18041766713919 0.07107133669265 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 24.946940619999996 0.000000000000000 0.000000000000000 b 0.000000000000000 12.922395119999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582548409999998 Atomic positions (fractional): 1 Cd 0.14830898640818 0.91255863349339 0.92185072316485 112.411 > 1 2 Cd 0.64830898640818 0.91255863349339 0.92185072316485 112.411 > 1 3 Cd 0.14830898640818 0.58744136650661 0.42185072316485 112.411 > 3 4 Cd 0.64830898640818 0.58744136650661 0.42185072316485 112.411 > 3 5 Cd 0.04389745655442 0.93559848932432 0.70823804606981 112.411 > 5 6 Cd 0.54389745655442 0.93559848932432 0.70823804606981 112.411 > 5 7 Cd 0.04743224223048 0.01501397571805 0.07196528806655 112.411 > 7 8 Cd 0.54743224223048 0.01501397571805 0.07196528806655 112.411 > 7 9 Cd 0.29743224223048 0.01501397571805 0.42803471193345 112.411 > 9 10 Cd 0.79743224223048 0.01501397571805 0.42803471193345 112.411 > 9 11 Cd 0.20610254344558 0.06440151067568 0.20823804606981 112.411 > 11 12 Cd 0.70610254344558 0.06440151067568 0.20823804606981 112.411 > 11 13 Cd 0.22864434768742 0.21313003578555 0.93131312886708 112.411 > 13 14 Cd 0.72864434768742 0.21313003578555 0.93131312886708 112.411 > 13 15 Cd 0.22864434768742 0.28686996421445 0.43131312886708 112.411 > 15 16 Cd 0.72864434768742 0.28686996421445 0.43131312886708 112.411 > 15 17 Cd 0.47864434768742 0.21313003578555 0.56868687113292 112.411 > 17 18 Cd 0.97864434768742 0.21313003578555 0.56868687113292 112.411 > 17 19 Cd 0.27135565231258 0.78686996421445 0.06868687113292 112.411 > 19 20 Cd 0.77135565231258 0.78686996421445 0.06868687113292 112.411 > 19 21 Cd 0.29389745655442 0.93559848932432 0.79176195393019 112.411 > 21 22 Cd 0.79389745655442 0.93559848932432 0.79176195393019 112.411 > 21 23 Cd 0.27135565231258 0.71313003578555 0.56868687113292 112.411 > 23 24 Cd 0.77135565231258 0.71313003578555 0.56868687113292 112.411 > 23 25 Cd 0.10169101359182 0.08744136650661 0.42185072316485 112.411 > 25 26 Cd 0.60169101359182 0.08744136650661 0.42185072316485 112.411 > 25 27 Cd 0.02135565231258 0.71313003578555 0.93131312886708 112.411 > 27 28 Cd 0.52135565231258 0.71313003578555 0.93131312886708 112.411 > 27 29 Cd 0.04743224223048 0.48498602428194 0.57196528806655 112.411 > 29 30 Cd 0.54743224223048 0.48498602428194 0.57196528806655 112.411 > 29 31 Cd 0.47864434768742 0.28686996421445 0.06868687113292 112.411 > 31 32 Cd 0.97864434768742 0.28686996421445 0.06868687113292 112.411 > 31 33 Cd 0.45256775776952 0.98498602428195 0.92803471193345 112.411 > 33 34 Cd 0.95256775776952 0.98498602428195 0.92803471193345 112.411 > 33 35 Cd 0.20610254344558 0.43559848932432 0.70823804606981 112.411 > 35 36 Cd 0.70610254344558 0.43559848932432 0.70823804606981 112.411 > 35 37 Cd 0.04389745655442 0.56440151067568 0.20823804606981 112.411 > 37 38 Cd 0.54389745655442 0.56440151067568 0.20823804606981 112.411 > 37 39 Cd 0.20256775776952 0.51501397571805 0.07196528806655 112.411 > 39 40 Cd 0.70256775776952 0.51501397571805 0.07196528806655 112.411 > 39 41 Cd 0.35169101359182 0.08744136650661 0.07814927683515 112.411 > 41 42 Cd 0.85169101359182 0.08744136650661 0.07814927683515 112.411 > 41 43 Cd 0.29743224223048 0.48498602428194 0.92803471193345 112.411 > 43 44 Cd 0.79743224223048 0.48498602428194 0.92803471193345 112.411 > 43 45 Cd 0.45610254344558 0.06440151067568 0.29176195393019 112.411 > 45 46 Cd 0.95610254344558 0.06440151067568 0.29176195393019 112.411 > 45 47 Cd 0.10169101359182 0.41255863349339 0.92185072316485 112.411 > 47 48 Cd 0.60169101359182 0.41255863349339 0.92185072316485 112.411 > 47 49 Cd 0.45256775776952 0.51501397571805 0.42803471193345 112.411 > 49 50 Cd 0.95256775776952 0.51501397571805 0.42803471193345 112.411 > 49 51 Cd 0.45610254344558 0.43559848932432 0.79176195393019 112.411 > 51 52 Cd 0.95610254344558 0.43559848932432 0.79176195393019 112.411 > 51 53 Cd 0.02135565231258 0.78686996421445 0.43131312886708 112.411 > 53 54 Cd 0.52135565231258 0.78686996421445 0.43131312886708 112.411 > 53 55 Cd 0.20256775776952 0.98498602428195 0.57196528806655 112.411 > 55 56 Cd 0.70256775776952 0.98498602428195 0.57196528806655 112.411 > 55 57 Cd 0.39830898640818 0.91255863349339 0.57814927683515 112.411 > 57 58 Cd 0.89830898640818 0.91255863349339 0.57814927683515 112.411 > 57 59 Cd 0.35169101359182 0.41255863349339 0.57814927683515 112.411 > 59 60 Cd 0.85169101359182 0.41255863349339 0.57814927683515 112.411 > 59 61 Cd 0.29389745655442 0.56440151067568 0.29176195393019 112.411 > 61 62 Cd 0.79389745655442 0.56440151067568 0.29176195393019 112.411 > 61 63 Cd 0.39830898640818 0.58744136650661 0.07814927683515 112.411 > 63 64 Cd 0.89830898640818 0.58744136650661 0.07814927683515 112.411 > 63 65 P 0.02689063626643 0.45366260262215 0.04896947362509 30.974 > 65 66 P 0.52689063626643 0.45366260262215 0.04896947362509 30.974 > 65 67 P 0.29726571091660 0.89605759871811 0.59663355582304 30.974 > 67 68 P 0.79726571091660 0.89605759871811 0.59663355582304 30.974 > 67 69 P 0.02689063626643 0.04633739737785 0.54896947362509 30.974 > 69 70 P 0.52689063626643 0.04633739737785 0.54896947362509 30.974 > 69 71 P 0.20273428908340 0.39605759871811 0.90336644417696 30.974 > 71 72 P 0.70273428908340 0.39605759871811 0.90336644417696 30.974 > 71 73 P 0.47310936373357 0.54633739737785 0.95103052637491 30.974 > 73 74 P 0.97310936373357 0.54633739737785 0.95103052637491 30.974 > 73 75 P 0.04726571091660 0.89605759871811 0.90336644417696 30.974 > 75 76 P 0.54726571091660 0.89605759871811 0.90336644417696 30.974 > 75 77 P 0.29726571091660 0.60394240128189 0.09663355582304 30.974 > 77 78 P 0.79726571091660 0.60394240128189 0.09663355582304 30.974 > 77 79 P 0.04726571091660 0.60394240128189 0.40336644417696 30.974 > 79 80 P 0.54726571091660 0.60394240128189 0.40336644417696 30.974 > 79 81 P 0.22310936373357 0.54633739737785 0.54896947362509 30.974 > 81 82 P 0.72310936373357 0.54633739737785 0.54896947362509 30.974 > 81 83 P 0.45273428908340 0.10394240128189 0.09663355582304 30.974 > 83 84 P 0.95273428908340 0.10394240128189 0.09663355582304 30.974 > 83 85 P 0.47310936373357 0.95366260262215 0.45103052637491 30.974 > 85 86 P 0.97310936373357 0.95366260262215 0.45103052637491 30.974 > 85 87 P 0.45273428908340 0.39605759871811 0.59663355582304 30.974 > 87 88 P 0.95273428908340 0.39605759871811 0.59663355582304 30.974 > 87 89 P 0.22310936373357 0.95366260262215 0.04896947362509 30.974 > 89 90 P 0.72310936373357 0.95366260262215 0.04896947362509 30.974 > 89 91 P 0.27689063626643 0.45366260262215 0.45103052637491 30.974 > 91 92 P 0.77689063626643 0.45366260262215 0.45103052637491 30.974 > 91 93 P 0.27689063626643 0.04633739737785 0.95103052637491 30.974 > 93 94 P 0.77689063626643 0.04633739737785 0.95103052637491 30.974 > 93 95 P 0.20273428908340 0.10394240128189 0.40336644417696 30.974 > 95 96 P 0.70273428908340 0.10394240128189 0.40336644417696 30.974 > 95 97 I 0.09264238779938 0.57897318458867 0.75470702192379 126.904 > 97 98 I 0.59264238779938 0.57897318458867 0.75470702192379 126.904 > 97 99 I 0.37368689903576 0.31958233286081 0.92892866330735 126.904 > 99 100 I 0.87368689903576 0.31958233286081 0.92892866330735 126.904 > 99 101 I 0.34264238779938 0.57897318458867 0.74529297807621 126.904 > 101 102 I 0.84264238779938 0.57897318458867 0.74529297807621 126.904 > 101 103 I 0.37631310096424 0.68041766713920 0.42892866330735 126.904 > 103 104 I 0.87631310096424 0.68041766713920 0.42892866330735 126.904 > 103 105 I 0.15735761220062 0.42102681541133 0.25470702192379 126.904 > 105 106 I 0.65735761220062 0.42102681541133 0.25470702192379 126.904 > 105 107 I 0.28179857447432 0.25501116888569 0.67507078104790 126.904 > 107 108 I 0.78179857447432 0.25501116888569 0.67507078104790 126.904 > 107 109 I 0.40735761220062 0.07897318458867 0.74529297807621 126.904 > 109 110 I 0.90735761220062 0.07897318458867 0.74529297807621 126.904 > 109 111 I 0.12368689903576 0.31958233286081 0.57107133669265 126.904 > 111 112 I 0.62368689903576 0.31958233286081 0.57107133669265 126.904 > 111 113 I 0.28179857447432 0.24498883111431 0.17507078104790 126.904 > 113 114 I 0.78179857447432 0.24498883111431 0.17507078104790 126.904 > 113 115 I 0.03179857447432 0.25501116888569 0.82492921895210 126.904 > 115 116 I 0.53179857447432 0.25501116888569 0.82492921895210 126.904 > 115 117 I 0.34264238779938 0.92102681541133 0.24529297807621 126.904 > 117 118 I 0.84264238779938 0.92102681541133 0.24529297807621 126.904 > 117 119 I 0.21820142552568 0.74498883111431 0.32492921895210 126.904 > 119 120 I 0.71820142552568 0.74498883111431 0.32492921895210 126.904 > 119 121 I 0.40735761220062 0.42102681541133 0.24529297807621 126.904 > 121 122 I 0.90735761220062 0.42102681541133 0.24529297807621 126.904 > 121 123 I 0.21820142552568 0.75501116888569 0.82492921895210 126.904 > 123 124 I 0.71820142552568 0.75501116888569 0.82492921895210 126.904 > 123 125 I 0.37631310096424 0.81958233286080 0.92892866330735 126.904 > 125 126 I 0.87631310096424 0.81958233286080 0.92892866330735 126.904 > 125 127 I 0.12631310096424 0.81958233286080 0.57107133669265 126.904 > 127 128 I 0.62631310096424 0.81958233286080 0.57107133669265 126.904 > 127 129 I 0.46820142552568 0.75501116888569 0.67507078104790 126.904 > 129 130 I 0.96820142552568 0.75501116888569 0.67507078104790 126.904 > 129 131 I 0.15735761220062 0.07897318458867 0.75470702192379 126.904 > 131 132 I 0.65735761220062 0.07897318458867 0.75470702192379 126.904 > 131 133 I 0.12631310096424 0.68041766713920 0.07107133669265 126.904 > 133 134 I 0.62631310096424 0.68041766713920 0.07107133669265 126.904 > 133 135 I 0.46820142552568 0.74498883111431 0.17507078104790 126.904 > 135 136 I 0.96820142552568 0.74498883111431 0.17507078104790 126.904 > 135 137 I 0.37368689903576 0.18041766713919 0.42892866330735 126.904 > 137 138 I 0.87368689903576 0.18041766713919 0.42892866330735 126.904 > 137 139 I 0.09264238779938 0.92102681541133 0.25470702192379 126.904 > 139 140 I 0.59264238779938 0.92102681541133 0.25470702192379 126.904 > 139 141 I 0.03179857447432 0.24498883111431 0.32492921895210 126.904 > 141 142 I 0.53179857447432 0.24498883111431 0.32492921895210 126.904 > 141 143 I 0.12368689903576 0.18041766713919 0.07107133669265 126.904 > 143 144 I 0.62368689903576 0.18041766713919 0.07107133669265 126.904 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 8.8783182 0.0000000 0.0000000 0.0000000 8.0375176 0.0000000 0.0000000 0.0000000 8.5265298 -------------------------- Born effective charges -------------------------- 1 Cd 2.8234126 0.0681679 0.0120552 -0.0091890 1.8631803 -0.2204338 -0.0410053 -0.2562452 1.8762636 2 Cd 2.8234126 -0.0681679 0.0120552 0.0091890 1.8631803 0.2204338 -0.0410053 0.2562452 1.8762636 3 Cd 2.1121245 0.2416467 0.0101293 0.1435265 1.6477413 -0.0978367 0.0679900 -0.0246844 2.6427377 4 Cd 2.6347402 -0.0758673 0.0519892 -0.1344964 1.9550180 0.3229173 0.1385388 0.2025965 2.3048328 5 Cd 2.6347402 -0.0758673 -0.0519892 -0.1344964 1.9550180 -0.3229173 -0.1385388 -0.2025965 2.3048328 6 Cd 2.1121245 0.2416467 -0.0101293 0.1435265 1.6477413 0.0978367 -0.0679900 0.0246844 2.6427377 7 Cd 1.7920618 -0.0828300 -0.0835989 0.1056849 2.4084610 -0.4169643 -0.0137562 -0.0977403 2.1212788 8 Cd 1.7920618 0.0828300 -0.0835989 -0.1056849 2.4084610 0.4169643 -0.0137562 0.0977403 2.1212788 9 Cd 1.7920618 -0.0828300 0.0835989 0.1056849 2.4084610 0.4169643 0.0137562 0.0977403 2.1212788 10 Cd 1.7920618 -0.0828300 -0.0835989 0.1056849 2.4084610 -0.4169643 -0.0137562 -0.0977403 2.1212788 11 Cd 2.1121245 0.2416467 -0.0101293 0.1435265 1.6477413 0.0978367 -0.0679900 0.0246844 2.6427377 12 Cd 1.7920618 0.0828300 -0.0835989 -0.1056849 2.4084610 0.4169643 -0.0137562 0.0977403 2.1212788 13 Cd 2.8234126 0.0681679 -0.0120552 -0.0091890 1.8631803 0.2204338 0.0410053 0.2562452 1.8762636 14 Cd 1.7920618 0.0828300 0.0835989 -0.1056849 2.4084610 -0.4169643 0.0137562 -0.0977403 2.1212788 15 Cd 2.6347402 0.0758673 0.0519892 0.1344964 1.9550180 -0.3229173 0.1385388 -0.2025965 2.3048328 16 Cd 1.7920618 0.0828300 0.0835989 -0.1056849 2.4084610 -0.4169643 0.0137562 -0.0977403 2.1212788 17 Cd 2.6347402 -0.0758673 0.0519892 -0.1344964 1.9550180 0.3229173 0.1385388 0.2025965 2.3048328 18 Cd 2.1121245 -0.2416467 -0.0101293 -0.1435265 1.6477413 -0.0978367 -0.0679900 -0.0246844 2.6427377 19 Cd 2.1121245 -0.2416467 0.0101293 -0.1435265 1.6477413 0.0978367 0.0679900 0.0246844 2.6427377 20 Cd 2.6347402 0.0758673 -0.0519892 0.1344964 1.9550180 0.3229173 -0.1385388 0.2025965 2.3048328 21 Cd 2.8234126 0.0681679 0.0120552 -0.0091890 1.8631803 -0.2204338 -0.0410053 -0.2562452 1.8762636 22 Cd 2.6347402 0.0758673 -0.0519892 0.1344964 1.9550180 0.3229173 -0.1385388 0.2025965 2.3048328 23 Cd 2.1121245 0.2416467 0.0101293 0.1435265 1.6477413 -0.0978367 0.0679900 -0.0246844 2.6427377 24 Cd 2.8234126 -0.0681679 -0.0120552 0.0091890 1.8631803 -0.2204338 0.0410053 -0.2562452 1.8762636 25 Cd 2.6347402 0.0758673 0.0519892 0.1344964 1.9550180 -0.3229173 0.1385388 -0.2025965 2.3048328 26 Cd 2.1121245 -0.2416467 0.0101293 -0.1435265 1.6477413 0.0978367 0.0679900 0.0246844 2.6427377 27 Cd 1.7920618 -0.0828300 0.0835989 0.1056849 2.4084610 0.4169643 0.0137562 0.0977403 2.1212788 28 Cd 2.6347402 -0.0758673 -0.0519892 -0.1344964 1.9550180 -0.3229173 -0.1385388 -0.2025965 2.3048328 29 Cd 2.8234126 0.0681679 -0.0120552 -0.0091890 1.8631803 0.2204338 0.0410053 0.2562452 1.8762636 30 Cd 2.8234126 -0.0681679 0.0120552 0.0091890 1.8631803 0.2204338 -0.0410053 0.2562452 1.8762636 31 Cd 2.1121245 -0.2416467 -0.0101293 -0.1435265 1.6477413 -0.0978367 -0.0679900 -0.0246844 2.6427377 32 Cd 2.8234126 -0.0681679 -0.0120552 0.0091890 1.8631803 -0.2204338 0.0410053 -0.2562452 1.8762636 33 P -1.1149919 -0.2187176 0.0541722 -0.0459729 -1.0828004 -0.2854794 0.2392055 -0.1238480 -1.2117171 34 P -2.9115965 0.2706281 -0.0226723 0.1584583 -1.8768654 0.1857050 -0.1779273 0.1192736 -2.2773332 35 P -1.1149919 0.2187176 0.0541722 0.0459729 -1.0828004 0.2854794 0.2392055 0.1238480 -1.2117171 36 P -2.9115965 -0.2706281 -0.0226723 -0.1584583 -1.8768654 -0.1857050 -0.1779273 -0.1192736 -2.2773332 37 P -1.1149919 -0.2187176 0.0541722 -0.0459729 -1.0828004 -0.2854794 0.2392055 -0.1238480 -1.2117171 38 P -2.9115965 0.2706281 0.0226723 0.1584583 -1.8768654 -0.1857050 0.1779273 -0.1192736 -2.2773332 39 P -2.9115965 -0.2706281 -0.0226723 -0.1584583 -1.8768654 -0.1857050 -0.1779273 -0.1192736 -2.2773332 40 P -2.9115965 -0.2706281 0.0226723 -0.1584583 -1.8768654 0.1857050 0.1779273 0.1192736 -2.2773332 41 P -1.1149919 -0.2187176 -0.0541722 -0.0459729 -1.0828004 0.2854794 -0.2392055 0.1238480 -1.2117171 42 P -2.9115965 0.2706281 0.0226723 0.1584583 -1.8768654 -0.1857050 0.1779273 -0.1192736 -2.2773332 43 P -1.1149919 0.2187176 0.0541722 0.0459729 -1.0828004 0.2854794 0.2392055 0.1238480 -1.2117171 44 P -2.9115965 -0.2706281 0.0226723 -0.1584583 -1.8768654 0.1857050 0.1779273 0.1192736 -2.2773332 45 P -1.1149919 0.2187176 -0.0541722 0.0459729 -1.0828004 -0.2854794 -0.2392055 -0.1238480 -1.2117171 46 P -1.1149919 -0.2187176 -0.0541722 -0.0459729 -1.0828004 0.2854794 -0.2392055 0.1238480 -1.2117171 47 P -1.1149919 0.2187176 -0.0541722 0.0459729 -1.0828004 -0.2854794 -0.2392055 -0.1238480 -1.2117171 48 P -2.9115965 0.2706281 -0.0226723 0.1584583 -1.8768654 0.1857050 -0.1779273 0.1192736 -2.2773332 49 I -1.4522652 0.4217159 -0.0679128 0.2372911 -1.3352518 -0.0504334 -0.1380692 -0.0918049 -2.3015972 50 I -2.3574059 0.2740561 0.0786083 0.3036977 -1.7828767 0.4703065 -0.1425261 0.3676563 -1.1707262 51 I -1.4522652 0.4217159 0.0679128 0.2372911 -1.3352518 0.0504334 0.1380692 0.0918049 -2.3015972 52 I -2.3574059 0.2740561 -0.0786083 0.3036977 -1.7828767 -0.4703065 0.1425261 -0.3676563 -1.1707262 53 I -1.4522652 0.4217159 0.0679128 0.2372911 -1.3352518 0.0504334 0.1380692 0.0918049 -2.3015972 54 I -1.5260796 0.1321535 0.2477981 -0.0150553 -1.7966064 0.2164056 0.4195255 0.2185549 -1.9837392 55 I -1.4522652 -0.4217159 -0.0679128 -0.2372911 -1.3352518 0.0504334 -0.1380692 0.0918049 -2.3015972 56 I -2.3574059 0.2740561 -0.0786083 0.3036977 -1.7828767 -0.4703065 0.1425261 -0.3676563 -1.1707262 57 I -1.5260796 -0.1321535 0.2477981 0.0150553 -1.7966064 -0.2164056 0.4195255 -0.2185549 -1.9837392 58 I -1.5260796 0.1321535 -0.2477981 -0.0150553 -1.7966064 -0.2164056 -0.4195255 -0.2185549 -1.9837392 59 I -1.4522652 -0.4217159 0.0679128 -0.2372911 -1.3352518 -0.0504334 0.1380692 -0.0918049 -2.3015972 60 I -1.5260796 0.1321535 0.2477981 -0.0150553 -1.7966064 0.2164056 0.4195255 0.2185549 -1.9837392 61 I -1.4522652 0.4217159 -0.0679128 0.2372911 -1.3352518 -0.0504334 -0.1380692 -0.0918049 -2.3015972 62 I -1.5260796 -0.1321535 0.2477981 0.0150553 -1.7966064 -0.2164056 0.4195255 -0.2185549 -1.9837392 63 I -2.3574059 -0.2740561 -0.0786083 -0.3036977 -1.7828767 0.4703065 0.1425261 0.3676563 -1.1707262 64 I -2.3574059 -0.2740561 0.0786083 -0.3036977 -1.7828767 -0.4703065 -0.1425261 -0.3676563 -1.1707262 65 I -1.5260796 -0.1321535 -0.2477981 0.0150553 -1.7966064 0.2164056 -0.4195255 0.2185549 -1.9837392 66 I -1.4522652 -0.4217159 0.0679128 -0.2372911 -1.3352518 -0.0504334 0.1380692 -0.0918049 -2.3015972 67 I -2.3574059 0.2740561 0.0786083 0.3036977 -1.7828767 0.4703065 -0.1425261 0.3676563 -1.1707262 68 I -1.5260796 0.1321535 -0.2477981 -0.0150553 -1.7966064 -0.2164056 -0.4195255 -0.2185549 -1.9837392 69 I -2.3574059 -0.2740561 0.0786083 -0.3036977 -1.7828767 -0.4703065 -0.1425261 -0.3676563 -1.1707262 70 I -1.4522652 -0.4217159 -0.0679128 -0.2372911 -1.3352518 0.0504334 -0.1380692 0.0918049 -2.3015972 71 I -1.5260796 -0.1321535 -0.2477981 0.0150553 -1.7966064 0.2164056 -0.4195255 0.2185549 -1.9837392 72 I -2.3574059 -0.2740561 -0.0786083 -0.3036977 -1.7828767 0.4703065 0.1425261 0.3676563 -1.1707262 ---------------------------------------------------------------------------- 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[ 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[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 99, 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[ 107, 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 18:08:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:08:42]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.473470309999998 0.000000000000000 0.000000000000000 b 0.000000000000000 12.922395119999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582548409999998 Atomic positions (fractional): 1 Cd 0.29661797281635 0.91255863349339 0.92185072316485 112.411 2 Cd 0.29661797281635 0.58744136650661 0.42185072316485 112.411 3 Cd 0.08779491310884 0.93559848932432 0.70823804606981 112.411 4 Cd 0.09486448446096 0.01501397571805 0.07196528806655 112.411 5 Cd 0.59486448446096 0.01501397571805 0.42803471193345 112.411 6 Cd 0.41220508689116 0.06440151067568 0.20823804606981 112.411 7 Cd 0.45728869537484 0.21313003578555 0.93131312886708 112.411 8 Cd 0.45728869537484 0.28686996421445 0.43131312886708 112.411 9 Cd 0.95728869537484 0.21313003578555 0.56868687113292 112.411 10 Cd 0.54271130462516 0.78686996421445 0.06868687113292 112.411 11 Cd 0.58779491310884 0.93559848932432 0.79176195393019 112.411 12 Cd 0.54271130462516 0.71313003578555 0.56868687113292 112.411 13 Cd 0.20338202718365 0.08744136650661 0.42185072316485 112.411 14 Cd 0.04271130462516 0.71313003578555 0.93131312886708 112.411 15 Cd 0.09486448446096 0.48498602428194 0.57196528806655 112.411 16 Cd 0.95728869537484 0.28686996421445 0.06868687113292 112.411 17 Cd 0.90513551553904 0.98498602428195 0.92803471193345 112.411 18 Cd 0.41220508689116 0.43559848932432 0.70823804606981 112.411 19 Cd 0.08779491310884 0.56440151067568 0.20823804606981 112.411 20 Cd 0.40513551553904 0.51501397571805 0.07196528806655 112.411 21 Cd 0.70338202718365 0.08744136650661 0.07814927683515 112.411 22 Cd 0.59486448446096 0.48498602428194 0.92803471193345 112.411 23 Cd 0.91220508689116 0.06440151067568 0.29176195393019 112.411 24 Cd 0.20338202718365 0.41255863349339 0.92185072316485 112.411 25 Cd 0.90513551553904 0.51501397571805 0.42803471193345 112.411 26 Cd 0.91220508689116 0.43559848932432 0.79176195393019 112.411 27 Cd 0.04271130462516 0.78686996421445 0.43131312886708 112.411 28 Cd 0.40513551553904 0.98498602428195 0.57196528806655 112.411 29 Cd 0.79661797281635 0.91255863349339 0.57814927683515 112.411 30 Cd 0.70338202718365 0.41255863349339 0.57814927683515 112.411 31 Cd 0.58779491310884 0.56440151067568 0.29176195393019 112.411 32 Cd 0.79661797281635 0.58744136650661 0.07814927683515 112.411 33 P 0.05378127253286 0.45366260262215 0.04896947362509 30.974 34 P 0.59453142183319 0.89605759871811 0.59663355582304 30.974 35 P 0.05378127253286 0.04633739737785 0.54896947362509 30.974 36 P 0.40546857816681 0.39605759871811 0.90336644417696 30.974 37 P 0.94621872746714 0.54633739737785 0.95103052637491 30.974 38 P 0.09453142183319 0.89605759871811 0.90336644417696 30.974 39 P 0.59453142183319 0.60394240128189 0.09663355582304 30.974 40 P 0.09453142183319 0.60394240128189 0.40336644417696 30.974 41 P 0.44621872746714 0.54633739737785 0.54896947362509 30.974 42 P 0.90546857816681 0.10394240128189 0.09663355582304 30.974 43 P 0.94621872746714 0.95366260262215 0.45103052637491 30.974 44 P 0.90546857816681 0.39605759871811 0.59663355582304 30.974 45 P 0.44621872746714 0.95366260262215 0.04896947362509 30.974 46 P 0.55378127253286 0.45366260262215 0.45103052637491 30.974 47 P 0.55378127253286 0.04633739737785 0.95103052637491 30.974 48 P 0.40546857816681 0.10394240128189 0.40336644417696 30.974 49 I 0.18528477559876 0.57897318458867 0.75470702192379 126.904 50 I 0.74737379807152 0.31958233286081 0.92892866330735 126.904 51 I 0.68528477559876 0.57897318458867 0.74529297807621 126.904 52 I 0.75262620192848 0.68041766713920 0.42892866330735 126.904 53 I 0.31471522440124 0.42102681541133 0.25470702192379 126.904 54 I 0.56359714894864 0.25501116888569 0.67507078104790 126.904 55 I 0.81471522440124 0.07897318458867 0.74529297807621 126.904 56 I 0.24737379807152 0.31958233286081 0.57107133669265 126.904 57 I 0.56359714894864 0.24498883111431 0.17507078104790 126.904 58 I 0.06359714894864 0.25501116888569 0.82492921895210 126.904 59 I 0.68528477559876 0.92102681541133 0.24529297807621 126.904 60 I 0.43640285105136 0.74498883111431 0.32492921895210 126.904 61 I 0.81471522440124 0.42102681541133 0.24529297807621 126.904 62 I 0.43640285105136 0.75501116888569 0.82492921895210 126.904 63 I 0.75262620192848 0.81958233286080 0.92892866330735 126.904 64 I 0.25262620192848 0.81958233286080 0.57107133669265 126.904 65 I 0.93640285105136 0.75501116888569 0.67507078104790 126.904 66 I 0.31471522440124 0.07897318458867 0.75470702192379 126.904 67 I 0.25262620192848 0.68041766713920 0.07107133669265 126.904 68 I 0.93640285105136 0.74498883111431 0.17507078104790 126.904 69 I 0.74737379807152 0.18041766713919 0.42892866330735 126.904 70 I 0.18528477559876 0.92102681541133 0.25470702192379 126.904 71 I 0.06359714894864 0.24498883111431 0.32492921895210 126.904 72 I 0.24737379807152 0.18041766713919 0.07107133669265 126.904 -------------------------------- supercell --------------------------------- Lattice vectors: a 24.946940619999996 0.000000000000000 0.000000000000000 b 0.000000000000000 12.922395119999997 0.000000000000000 c 0.000000000000000 0.000000000000000 12.582548409999998 Atomic positions (fractional): 1 Cd 0.14830898640818 0.91255863349339 0.92185072316485 112.411 > 1 2 Cd 0.64830898640818 0.91255863349339 0.92185072316485 112.411 > 1 3 Cd 0.14830898640818 0.58744136650661 0.42185072316485 112.411 > 3 4 Cd 0.64830898640818 0.58744136650661 0.42185072316485 112.411 > 3 5 Cd 0.04389745655442 0.93559848932432 0.70823804606981 112.411 > 5 6 Cd 0.54389745655442 0.93559848932432 0.70823804606981 112.411 > 5 7 Cd 0.04743224223048 0.01501397571805 0.07196528806655 112.411 > 7 8 Cd 0.54743224223048 0.01501397571805 0.07196528806655 112.411 > 7 9 Cd 0.29743224223048 0.01501397571805 0.42803471193345 112.411 > 9 10 Cd 0.79743224223048 0.01501397571805 0.42803471193345 112.411 > 9 11 Cd 0.20610254344558 0.06440151067568 0.20823804606981 112.411 > 11 12 Cd 0.70610254344558 0.06440151067568 0.20823804606981 112.411 > 11 13 Cd 0.22864434768742 0.21313003578555 0.93131312886708 112.411 > 13 14 Cd 0.72864434768742 0.21313003578555 0.93131312886708 112.411 > 13 15 Cd 0.22864434768742 0.28686996421445 0.43131312886708 112.411 > 15 16 Cd 0.72864434768742 0.28686996421445 0.43131312886708 112.411 > 15 17 Cd 0.47864434768742 0.21313003578555 0.56868687113292 112.411 > 17 18 Cd 0.97864434768742 0.21313003578555 0.56868687113292 112.411 > 17 19 Cd 0.27135565231258 0.78686996421445 0.06868687113292 112.411 > 19 20 Cd 0.77135565231258 0.78686996421445 0.06868687113292 112.411 > 19 21 Cd 0.29389745655442 0.93559848932432 0.79176195393019 112.411 > 21 22 Cd 0.79389745655442 0.93559848932432 0.79176195393019 112.411 > 21 23 Cd 0.27135565231258 0.71313003578555 0.56868687113292 112.411 > 23 24 Cd 0.77135565231258 0.71313003578555 0.56868687113292 112.411 > 23 25 Cd 0.10169101359182 0.08744136650661 0.42185072316485 112.411 > 25 26 Cd 0.60169101359182 0.08744136650661 0.42185072316485 112.411 > 25 27 Cd 0.02135565231258 0.71313003578555 0.93131312886708 112.411 > 27 28 Cd 0.52135565231258 0.71313003578555 0.93131312886708 112.411 > 27 29 Cd 0.04743224223048 0.48498602428194 0.57196528806655 112.411 > 29 30 Cd 0.54743224223048 0.48498602428194 0.57196528806655 112.411 > 29 31 Cd 0.47864434768742 0.28686996421445 0.06868687113292 112.411 > 31 32 Cd 0.97864434768742 0.28686996421445 0.06868687113292 112.411 > 31 33 Cd 0.45256775776952 0.98498602428195 0.92803471193345 112.411 > 33 34 Cd 0.95256775776952 0.98498602428195 0.92803471193345 112.411 > 33 35 Cd 0.20610254344558 0.43559848932432 0.70823804606981 112.411 > 35 36 Cd 0.70610254344558 0.43559848932432 0.70823804606981 112.411 > 35 37 Cd 0.04389745655442 0.56440151067568 0.20823804606981 112.411 > 37 38 Cd 0.54389745655442 0.56440151067568 0.20823804606981 112.411 > 37 39 Cd 0.20256775776952 0.51501397571805 0.07196528806655 112.411 > 39 40 Cd 0.70256775776952 0.51501397571805 0.07196528806655 112.411 > 39 41 Cd 0.35169101359182 0.08744136650661 0.07814927683515 112.411 > 41 42 Cd 0.85169101359182 0.08744136650661 0.07814927683515 112.411 > 41 43 Cd 0.29743224223048 0.48498602428194 0.92803471193345 112.411 > 43 44 Cd 0.79743224223048 0.48498602428194 0.92803471193345 112.411 > 43 45 Cd 0.45610254344558 0.06440151067568 0.29176195393019 112.411 > 45 46 Cd 0.95610254344558 0.06440151067568 0.29176195393019 112.411 > 45 47 Cd 0.10169101359182 0.41255863349339 0.92185072316485 112.411 > 47 48 Cd 0.60169101359182 0.41255863349339 0.92185072316485 112.411 > 47 49 Cd 0.45256775776952 0.51501397571805 0.42803471193345 112.411 > 49 50 Cd 0.95256775776952 0.51501397571805 0.42803471193345 112.411 > 49 51 Cd 0.45610254344558 0.43559848932432 0.79176195393019 112.411 > 51 52 Cd 0.95610254344558 0.43559848932432 0.79176195393019 112.411 > 51 53 Cd 0.02135565231258 0.78686996421445 0.43131312886708 112.411 > 53 54 Cd 0.52135565231258 0.78686996421445 0.43131312886708 112.411 > 53 55 Cd 0.20256775776952 0.98498602428195 0.57196528806655 112.411 > 55 56 Cd 0.70256775776952 0.98498602428195 0.57196528806655 112.411 > 55 57 Cd 0.39830898640818 0.91255863349339 0.57814927683515 112.411 > 57 58 Cd 0.89830898640818 0.91255863349339 0.57814927683515 112.411 > 57 59 Cd 0.35169101359182 0.41255863349339 0.57814927683515 112.411 > 59 60 Cd 0.85169101359182 0.41255863349339 0.57814927683515 112.411 > 59 61 Cd 0.29389745655442 0.56440151067568 0.29176195393019 112.411 > 61 62 Cd 0.79389745655442 0.56440151067568 0.29176195393019 112.411 > 61 63 Cd 0.39830898640818 0.58744136650661 0.07814927683515 112.411 > 63 64 Cd 0.89830898640818 0.58744136650661 0.07814927683515 112.411 > 63 65 P 0.02689063626643 0.45366260262215 0.04896947362509 30.974 > 65 66 P 0.52689063626643 0.45366260262215 0.04896947362509 30.974 > 65 67 P 0.29726571091660 0.89605759871811 0.59663355582304 30.974 > 67 68 P 0.79726571091660 0.89605759871811 0.59663355582304 30.974 > 67 69 P 0.02689063626643 0.04633739737785 0.54896947362509 30.974 > 69 70 P 0.52689063626643 0.04633739737785 0.54896947362509 30.974 > 69 71 P 0.20273428908340 0.39605759871811 0.90336644417696 30.974 > 71 72 P 0.70273428908340 0.39605759871811 0.90336644417696 30.974 > 71 73 P 0.47310936373357 0.54633739737785 0.95103052637491 30.974 > 73 74 P 0.97310936373357 0.54633739737785 0.95103052637491 30.974 > 73 75 P 0.04726571091660 0.89605759871811 0.90336644417696 30.974 > 75 76 P 0.54726571091660 0.89605759871811 0.90336644417696 30.974 > 75 77 P 0.29726571091660 0.60394240128189 0.09663355582304 30.974 > 77 78 P 0.79726571091660 0.60394240128189 0.09663355582304 30.974 > 77 79 P 0.04726571091660 0.60394240128189 0.40336644417696 30.974 > 79 80 P 0.54726571091660 0.60394240128189 0.40336644417696 30.974 > 79 81 P 0.22310936373357 0.54633739737785 0.54896947362509 30.974 > 81 82 P 0.72310936373357 0.54633739737785 0.54896947362509 30.974 > 81 83 P 0.45273428908340 0.10394240128189 0.09663355582304 30.974 > 83 84 P 0.95273428908340 0.10394240128189 0.09663355582304 30.974 > 83 85 P 0.47310936373357 0.95366260262215 0.45103052637491 30.974 > 85 86 P 0.97310936373357 0.95366260262215 0.45103052637491 30.974 > 85 87 P 0.45273428908340 0.39605759871811 0.59663355582304 30.974 > 87 88 P 0.95273428908340 0.39605759871811 0.59663355582304 30.974 > 87 89 P 0.22310936373357 0.95366260262215 0.04896947362509 30.974 > 89 90 P 0.72310936373357 0.95366260262215 0.04896947362509 30.974 > 89 91 P 0.27689063626643 0.45366260262215 0.45103052637491 30.974 > 91 92 P 0.77689063626643 0.45366260262215 0.45103052637491 30.974 > 91 93 P 0.27689063626643 0.04633739737785 0.95103052637491 30.974 > 93 94 P 0.77689063626643 0.04633739737785 0.95103052637491 30.974 > 93 95 P 0.20273428908340 0.10394240128189 0.40336644417696 30.974 > 95 96 P 0.70273428908340 0.10394240128189 0.40336644417696 30.974 > 95 97 I 0.09264238779938 0.57897318458867 0.75470702192379 126.904 > 97 98 I 0.59264238779938 0.57897318458867 0.75470702192379 126.904 > 97 99 I 0.37368689903576 0.31958233286081 0.92892866330735 126.904 > 99 100 I 0.87368689903576 0.31958233286081 0.92892866330735 126.904 > 99 101 I 0.34264238779938 0.57897318458867 0.74529297807621 126.904 > 101 102 I 0.84264238779938 0.57897318458867 0.74529297807621 126.904 > 101 103 I 0.37631310096424 0.68041766713920 0.42892866330735 126.904 > 103 104 I 0.87631310096424 0.68041766713920 0.42892866330735 126.904 > 103 105 I 0.15735761220062 0.42102681541133 0.25470702192379 126.904 > 105 106 I 0.65735761220062 0.42102681541133 0.25470702192379 126.904 > 105 107 I 0.28179857447432 0.25501116888569 0.67507078104790 126.904 > 107 108 I 0.78179857447432 0.25501116888569 0.67507078104790 126.904 > 107 109 I 0.40735761220062 0.07897318458867 0.74529297807621 126.904 > 109 110 I 0.90735761220062 0.07897318458867 0.74529297807621 126.904 > 109 111 I 0.12368689903576 0.31958233286081 0.57107133669265 126.904 > 111 112 I 0.62368689903576 0.31958233286081 0.57107133669265 126.904 > 111 113 I 0.28179857447432 0.24498883111431 0.17507078104790 126.904 > 113 114 I 0.78179857447432 0.24498883111431 0.17507078104790 126.904 > 113 115 I 0.03179857447432 0.25501116888569 0.82492921895210 126.904 > 115 116 I 0.53179857447432 0.25501116888569 0.82492921895210 126.904 > 115 117 I 0.34264238779938 0.92102681541133 0.24529297807621 126.904 > 117 118 I 0.84264238779938 0.92102681541133 0.24529297807621 126.904 > 117 119 I 0.21820142552568 0.74498883111431 0.32492921895210 126.904 > 119 120 I 0.71820142552568 0.74498883111431 0.32492921895210 126.904 > 119 121 I 0.40735761220062 0.42102681541133 0.24529297807621 126.904 > 121 122 I 0.90735761220062 0.42102681541133 0.24529297807621 126.904 > 121 123 I 0.21820142552568 0.75501116888569 0.82492921895210 126.904 > 123 124 I 0.71820142552568 0.75501116888569 0.82492921895210 126.904 > 123 125 I 0.37631310096424 0.81958233286080 0.92892866330735 126.904 > 125 126 I 0.87631310096424 0.81958233286080 0.92892866330735 126.904 > 125 127 I 0.12631310096424 0.81958233286080 0.57107133669265 126.904 > 127 128 I 0.62631310096424 0.81958233286080 0.57107133669265 126.904 > 127 129 I 0.46820142552568 0.75501116888569 0.67507078104790 126.904 > 129 130 I 0.96820142552568 0.75501116888569 0.67507078104790 126.904 > 129 131 I 0.15735761220062 0.07897318458867 0.75470702192379 126.904 > 131 132 I 0.65735761220062 0.07897318458867 0.75470702192379 126.904 > 131 133 I 0.12631310096424 0.68041766713920 0.07107133669265 126.904 > 133 134 I 0.62631310096424 0.68041766713920 0.07107133669265 126.904 > 133 135 I 0.46820142552568 0.74498883111431 0.17507078104790 126.904 > 135 136 I 0.96820142552568 0.74498883111431 0.17507078104790 126.904 > 135 137 I 0.37368689903576 0.18041766713919 0.42892866330735 126.904 > 137 138 I 0.87368689903576 0.18041766713919 0.42892866330735 126.904 > 137 139 I 0.09264238779938 0.92102681541133 0.25470702192379 126.904 > 139 140 I 0.59264238779938 0.92102681541133 0.25470702192379 126.904 > 139 141 I 0.03179857447432 0.24498883111431 0.32492921895210 126.904 > 141 142 I 0.53179857447432 0.24498883111431 0.32492921895210 126.904 > 141 143 I 0.12368689903576 0.18041766713919 0.07107133669265 126.904 > 143 144 I 0.62368689903576 0.18041766713919 0.07107133669265 126.904 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 8.8783182 0.0000000 0.0000000 0.0000000 8.0375176 0.0000000 0.0000000 0.0000000 8.5265298 -------------------------- Born effective charges -------------------------- 1 Cd 2.8234126 0.0681679 0.0120552 -0.0091890 1.8631803 -0.2204338 -0.0410053 -0.2562452 1.8762636 2 Cd 2.8234126 -0.0681679 0.0120552 0.0091890 1.8631803 0.2204338 -0.0410053 0.2562452 1.8762636 3 Cd 2.1121245 0.2416467 0.0101293 0.1435265 1.6477413 -0.0978367 0.0679900 -0.0246844 2.6427377 4 Cd 2.6347402 -0.0758673 0.0519892 -0.1344964 1.9550180 0.3229173 0.1385388 0.2025965 2.3048328 5 Cd 2.6347402 -0.0758673 -0.0519892 -0.1344964 1.9550180 -0.3229173 -0.1385388 -0.2025965 2.3048328 6 Cd 2.1121245 0.2416467 -0.0101293 0.1435265 1.6477413 0.0978367 -0.0679900 0.0246844 2.6427377 7 Cd 1.7920618 -0.0828300 -0.0835989 0.1056849 2.4084610 -0.4169643 -0.0137562 -0.0977403 2.1212788 8 Cd 1.7920618 0.0828300 -0.0835989 -0.1056849 2.4084610 0.4169643 -0.0137562 0.0977403 2.1212788 9 Cd 1.7920618 -0.0828300 0.0835989 0.1056849 2.4084610 0.4169643 0.0137562 0.0977403 2.1212788 10 Cd 1.7920618 -0.0828300 -0.0835989 0.1056849 2.4084610 -0.4169643 -0.0137562 -0.0977403 2.1212788 11 Cd 2.1121245 0.2416467 -0.0101293 0.1435265 1.6477413 0.0978367 -0.0679900 0.0246844 2.6427377 12 Cd 1.7920618 0.0828300 -0.0835989 -0.1056849 2.4084610 0.4169643 -0.0137562 0.0977403 2.1212788 13 Cd 2.8234126 0.0681679 -0.0120552 -0.0091890 1.8631803 0.2204338 0.0410053 0.2562452 1.8762636 14 Cd 1.7920618 0.0828300 0.0835989 -0.1056849 2.4084610 -0.4169643 0.0137562 -0.0977403 2.1212788 15 Cd 2.6347402 0.0758673 0.0519892 0.1344964 1.9550180 -0.3229173 0.1385388 -0.2025965 2.3048328 16 Cd 1.7920618 0.0828300 0.0835989 -0.1056849 2.4084610 -0.4169643 0.0137562 -0.0977403 2.1212788 17 Cd 2.6347402 -0.0758673 0.0519892 -0.1344964 1.9550180 0.3229173 0.1385388 0.2025965 2.3048328 18 Cd 2.1121245 -0.2416467 -0.0101293 -0.1435265 1.6477413 -0.0978367 -0.0679900 -0.0246844 2.6427377 19 Cd 2.1121245 -0.2416467 0.0101293 -0.1435265 1.6477413 0.0978367 0.0679900 0.0246844 2.6427377 20 Cd 2.6347402 0.0758673 -0.0519892 0.1344964 1.9550180 0.3229173 -0.1385388 0.2025965 2.3048328 21 Cd 2.8234126 0.0681679 0.0120552 -0.0091890 1.8631803 -0.2204338 -0.0410053 -0.2562452 1.8762636 22 Cd 2.6347402 0.0758673 -0.0519892 0.1344964 1.9550180 0.3229173 -0.1385388 0.2025965 2.3048328 23 Cd 2.1121245 0.2416467 0.0101293 0.1435265 1.6477413 -0.0978367 0.0679900 -0.0246844 2.6427377 24 Cd 2.8234126 -0.0681679 -0.0120552 0.0091890 1.8631803 -0.2204338 0.0410053 -0.2562452 1.8762636 25 Cd 2.6347402 0.0758673 0.0519892 0.1344964 1.9550180 -0.3229173 0.1385388 -0.2025965 2.3048328 26 Cd 2.1121245 -0.2416467 0.0101293 -0.1435265 1.6477413 0.0978367 0.0679900 0.0246844 2.6427377 27 Cd 1.7920618 -0.0828300 0.0835989 0.1056849 2.4084610 0.4169643 0.0137562 0.0977403 2.1212788 28 Cd 2.6347402 -0.0758673 -0.0519892 -0.1344964 1.9550180 -0.3229173 -0.1385388 -0.2025965 2.3048328 29 Cd 2.8234126 0.0681679 -0.0120552 -0.0091890 1.8631803 0.2204338 0.0410053 0.2562452 1.8762636 30 Cd 2.8234126 -0.0681679 0.0120552 0.0091890 1.8631803 0.2204338 -0.0410053 0.2562452 1.8762636 31 Cd 2.1121245 -0.2416467 -0.0101293 -0.1435265 1.6477413 -0.0978367 -0.0679900 -0.0246844 2.6427377 32 Cd 2.8234126 -0.0681679 -0.0120552 0.0091890 1.8631803 -0.2204338 0.0410053 -0.2562452 1.8762636 33 P -1.1149919 -0.2187176 0.0541722 -0.0459729 -1.0828004 -0.2854794 0.2392055 -0.1238480 -1.2117171 34 P -2.9115965 0.2706281 -0.0226723 0.1584583 -1.8768654 0.1857050 -0.1779273 0.1192736 -2.2773332 35 P -1.1149919 0.2187176 0.0541722 0.0459729 -1.0828004 0.2854794 0.2392055 0.1238480 -1.2117171 36 P -2.9115965 -0.2706281 -0.0226723 -0.1584583 -1.8768654 -0.1857050 -0.1779273 -0.1192736 -2.2773332 37 P -1.1149919 -0.2187176 0.0541722 -0.0459729 -1.0828004 -0.2854794 0.2392055 -0.1238480 -1.2117171 38 P -2.9115965 0.2706281 0.0226723 0.1584583 -1.8768654 -0.1857050 0.1779273 -0.1192736 -2.2773332 39 P -2.9115965 -0.2706281 -0.0226723 -0.1584583 -1.8768654 -0.1857050 -0.1779273 -0.1192736 -2.2773332 40 P -2.9115965 -0.2706281 0.0226723 -0.1584583 -1.8768654 0.1857050 0.1779273 0.1192736 -2.2773332 41 P -1.1149919 -0.2187176 -0.0541722 -0.0459729 -1.0828004 0.2854794 -0.2392055 0.1238480 -1.2117171 42 P -2.9115965 0.2706281 0.0226723 0.1584583 -1.8768654 -0.1857050 0.1779273 -0.1192736 -2.2773332 43 P -1.1149919 0.2187176 0.0541722 0.0459729 -1.0828004 0.2854794 0.2392055 0.1238480 -1.2117171 44 P -2.9115965 -0.2706281 0.0226723 -0.1584583 -1.8768654 0.1857050 0.1779273 0.1192736 -2.2773332 45 P -1.1149919 0.2187176 -0.0541722 0.0459729 -1.0828004 -0.2854794 -0.2392055 -0.1238480 -1.2117171 46 P -1.1149919 -0.2187176 -0.0541722 -0.0459729 -1.0828004 0.2854794 -0.2392055 0.1238480 -1.2117171 47 P -1.1149919 0.2187176 -0.0541722 0.0459729 -1.0828004 -0.2854794 -0.2392055 -0.1238480 -1.2117171 48 P -2.9115965 0.2706281 -0.0226723 0.1584583 -1.8768654 0.1857050 -0.1779273 0.1192736 -2.2773332 49 I -1.4522652 0.4217159 -0.0679128 0.2372911 -1.3352518 -0.0504334 -0.1380692 -0.0918049 -2.3015972 50 I -2.3574059 0.2740561 0.0786083 0.3036977 -1.7828767 0.4703065 -0.1425261 0.3676563 -1.1707262 51 I -1.4522652 0.4217159 0.0679128 0.2372911 -1.3352518 0.0504334 0.1380692 0.0918049 -2.3015972 52 I -2.3574059 0.2740561 -0.0786083 0.3036977 -1.7828767 -0.4703065 0.1425261 -0.3676563 -1.1707262 53 I -1.4522652 0.4217159 0.0679128 0.2372911 -1.3352518 0.0504334 0.1380692 0.0918049 -2.3015972 54 I -1.5260796 0.1321535 0.2477981 -0.0150553 -1.7966064 0.2164056 0.4195255 0.2185549 -1.9837392 55 I -1.4522652 -0.4217159 -0.0679128 -0.2372911 -1.3352518 0.0504334 -0.1380692 0.0918049 -2.3015972 56 I -2.3574059 0.2740561 -0.0786083 0.3036977 -1.7828767 -0.4703065 0.1425261 -0.3676563 -1.1707262 57 I -1.5260796 -0.1321535 0.2477981 0.0150553 -1.7966064 -0.2164056 0.4195255 -0.2185549 -1.9837392 58 I -1.5260796 0.1321535 -0.2477981 -0.0150553 -1.7966064 -0.2164056 -0.4195255 -0.2185549 -1.9837392 59 I -1.4522652 -0.4217159 0.0679128 -0.2372911 -1.3352518 -0.0504334 0.1380692 -0.0918049 -2.3015972 60 I -1.5260796 0.1321535 0.2477981 -0.0150553 -1.7966064 0.2164056 0.4195255 0.2185549 -1.9837392 61 I -1.4522652 0.4217159 -0.0679128 0.2372911 -1.3352518 -0.0504334 -0.1380692 -0.0918049 -2.3015972 62 I -1.5260796 -0.1321535 0.2477981 0.0150553 -1.7966064 -0.2164056 0.4195255 -0.2185549 -1.9837392 63 I -2.3574059 -0.2740561 -0.0786083 -0.3036977 -1.7828767 0.4703065 0.1425261 0.3676563 -1.1707262 64 I -2.3574059 -0.2740561 0.0786083 -0.3036977 -1.7828767 -0.4703065 -0.1425261 -0.3676563 -1.1707262 65 I -1.5260796 -0.1321535 -0.2477981 0.0150553 -1.7966064 0.2164056 -0.4195255 0.2185549 -1.9837392 66 I -1.4522652 -0.4217159 0.0679128 -0.2372911 -1.3352518 -0.0504334 0.1380692 -0.0918049 -2.3015972 67 I -2.3574059 0.2740561 0.0786083 0.3036977 -1.7828767 0.4703065 -0.1425261 0.3676563 -1.1707262 68 I -1.5260796 0.1321535 -0.2477981 -0.0150553 -1.7966064 -0.2164056 -0.4195255 -0.2185549 -1.9837392 69 I -2.3574059 -0.2740561 0.0786083 -0.3036977 -1.7828767 -0.4703065 -0.1425261 -0.3676563 -1.1707262 70 I -1.4522652 -0.4217159 -0.0679128 -0.2372911 -1.3352518 0.0504334 -0.1380692 0.0918049 -2.3015972 71 I -1.5260796 -0.1321535 -0.2477981 0.0150553 -1.7966064 0.2164056 -0.4195255 0.2185549 -1.9837392 72 I -2.3574059 -0.2740561 -0.0786083 -0.3036977 -1.7828767 0.4703065 0.1425261 0.3676563 -1.1707262 ---------------------------------------------------------------------------- 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 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 4 4 4 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.33, Number of G-points: 297, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/27) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 27 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.651 ( 0.000 0.000 0.000) 0.000 0.736 ( 0.000 0.000 0.000) 0.000 0.738 ( 0.000 0.000 0.000) 0.000 0.746 ( 0.000 0.000 0.000) 0.000 0.753 ( 0.000 0.000 0.000) 0.000 0.777 ( 0.000 0.000 0.000) 0.000 0.802 ( 0.000 0.000 0.000) 0.000 0.804 ( 0.000 0.000 0.000) 0.000 0.818 ( 0.000 0.000 0.000) 0.000 0.828 ( 0.000 0.000 0.000) 0.000 0.873 ( 0.000 0.000 0.000) 0.000 0.896 ( 0.000 0.000 0.000) 0.000 0.903 ( 0.000 0.000 0.000) 0.000 0.918 ( 0.000 0.000 0.000) 0.000 0.960 ( 0.000 0.000 0.000) 0.000 0.965 ( 0.000 0.000 0.000) 0.000 0.986 ( 0.000 0.000 0.000) 0.000 0.989 ( 0.000 0.000 0.000) 0.000 0.992 ( 0.000 0.000 0.000) 0.000 1.004 ( 0.000 0.000 0.000) 0.000 1.007 ( 0.000 0.000 0.000) 0.000 1.015 ( 0.000 0.000 0.000) 0.000 1.093 ( 0.000 0.000 0.000) 0.000 1.103 ( 0.000 0.000 0.000) 0.000 1.104 ( 0.000 0.000 0.000) 0.000 1.126 ( 0.000 0.000 0.000) 0.000 1.130 ( 0.000 0.000 0.000) 0.000 1.143 ( 0.000 0.000 0.000) 0.000 1.193 ( 0.000 0.000 0.000) 0.000 1.197 ( 0.000 0.000 0.000) 0.000 1.200 ( 0.000 0.000 0.000) 0.000 1.208 ( 0.000 0.000 0.000) 0.000 1.251 ( 0.000 0.000 0.000) 0.000 1.254 ( 0.000 0.000 0.000) 0.000 1.306 ( 0.000 0.000 0.000) 0.000 1.315 ( 0.000 0.000 0.000) 0.000 1.325 ( 0.000 0.000 0.000) 0.000 1.337 ( 0.000 0.000 0.000) 0.000 1.341 ( 0.000 0.000 0.000) 0.000 1.385 ( 0.000 0.000 0.000) 0.000 1.390 ( 0.000 0.000 0.000) 0.000 1.394 ( 0.000 0.000 0.000) 0.000 1.410 ( 0.000 0.000 0.000) 0.000 1.465 ( 0.000 0.000 0.000) 0.000 1.476 ( 0.000 0.000 0.000) 0.000 1.499 ( 0.000 0.000 0.000) 0.000 1.519 ( 0.000 0.000 0.000) 0.000 1.519 ( 0.000 0.000 0.000) 0.000 1.527 ( 0.000 0.000 0.000) 0.000 1.534 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.566 ( 0.000 0.000 0.000) 0.000 1.568 ( 0.000 0.000 0.000) 0.000 1.586 ( 0.000 0.000 0.000) 0.000 1.590 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 0.000) 0.000 1.615 ( 0.000 0.000 0.000) 0.000 1.679 ( 0.000 0.000 0.000) 0.000 1.694 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.716 ( 0.000 0.000 0.000) 0.000 1.739 ( 0.000 0.000 0.000) 0.000 1.755 ( 0.000 0.000 0.000) 0.000 1.755 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.788 ( 0.000 0.000 0.000) 0.000 1.805 ( 0.000 0.000 0.000) 0.000 1.819 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.840 ( 0.000 0.000 0.000) 0.000 1.841 ( 0.000 0.000 0.000) 0.000 1.871 ( 0.000 0.000 0.000) 0.000 1.874 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 1.916 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 1.934 ( 0.000 0.000 0.000) 0.000 1.978 ( 0.000 0.000 0.000) 0.000 2.001 ( 0.000 0.000 0.000) 0.000 2.006 ( 0.000 0.000 0.000) 0.000 2.012 ( 0.000 0.000 0.000) 0.000 2.042 ( 0.000 0.000 0.000) 0.000 2.063 ( 0.000 0.000 0.000) 0.000 2.104 ( 0.000 0.000 0.000) 0.000 2.112 ( 0.000 0.000 0.000) 0.000 2.118 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.202 ( 0.000 0.000 0.000) 0.000 2.215 ( 0.000 0.000 0.000) 0.000 2.276 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.316 ( 0.000 0.000 0.000) 0.000 2.375 ( 0.000 0.000 0.000) 0.000 2.383 ( 0.000 0.000 0.000) 0.000 2.423 ( 0.000 0.000 0.000) 0.000 2.428 ( 0.000 0.000 0.000) 0.000 2.455 ( 0.000 0.000 0.000) 0.000 2.471 ( 0.000 0.000 0.000) 0.000 2.492 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.502 ( 0.000 0.000 0.000) 0.000 2.540 ( 0.000 0.000 0.000) 0.000 2.551 ( 0.000 0.000 0.000) 0.000 2.567 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.644 ( 0.000 0.000 0.000) 0.000 2.659 ( 0.000 0.000 0.000) 0.000 2.693 ( 0.000 0.000 0.000) 0.000 2.696 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.740 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.770 ( 0.000 0.000 0.000) 0.000 2.771 ( 0.000 0.000 0.000) 0.000 2.793 ( 0.000 0.000 0.000) 0.000 2.815 ( 0.000 0.000 0.000) 0.000 2.843 ( 0.000 0.000 0.000) 0.000 2.881 ( 0.000 0.000 0.000) 0.000 2.885 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 2.998 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.147 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.199 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.256 ( 0.000 0.000 0.000) 0.000 3.440 ( 0.000 0.000 0.000) 0.000 3.471 ( 0.000 0.000 0.000) 0.000 3.513 ( 0.000 0.000 0.000) 0.000 3.520 ( 0.000 0.000 0.000) 0.000 3.543 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.565 ( 0.000 0.000 0.000) 0.000 3.615 ( 0.000 0.000 0.000) 0.000 3.644 ( 0.000 0.000 0.000) 0.000 3.669 ( 0.000 0.000 0.000) 0.000 3.673 ( 0.000 0.000 0.000) 0.000 3.811 ( 0.000 0.000 0.000) 0.000 3.814 ( 0.000 0.000 0.000) 0.000 3.817 ( 0.000 0.000 0.000) 0.000 3.836 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.873 ( 0.000 0.000 0.000) 0.000 3.904 ( 0.000 0.000 0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 3.996 ( 0.000 0.000 0.000) 0.000 4.007 ( 0.000 0.000 0.000) 0.000 4.045 ( 0.000 0.000 0.000) 0.000 4.147 ( 0.000 0.000 0.000) 0.000 4.691 ( 0.000 0.000 0.000) 0.000 4.696 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 0.000) 0.000 5.094 ( 0.000 0.000 0.000) 0.000 5.478 ( 0.000 0.000 0.000) 0.000 5.497 ( 0.000 0.000 0.000) 0.000 5.599 ( 0.000 0.000 0.000) 0.000 5.843 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 7.854 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 7.917 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.266 ( 0.000 0.000 0.000) 0.000 8.278 ( 0.000 0.000 0.000) 0.000 8.312 ( 0.000 0.000 0.000) 0.000 8.659 ( 0.000 0.000 0.000) 0.000 8.703 ( 0.000 0.000 0.000) 0.000 8.715 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.765 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 8.822 ( 0.000 0.000 0.000) 0.000 8.851 ( 0.000 0.000 0.000) 0.000 8.862 ( 0.000 0.000 0.000) 0.000 8.989 ( 0.000 0.000 0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.241 ( 0.000 0.000 0.000) 0.000 9.353 ( 0.000 0.000 0.000) 0.000 9.382 ( 0.000 0.000 0.000) 0.000 9.519 ( 0.000 0.000 0.000) 0.000 9.599 ( 0.000 0.000 0.000) 0.000 9.766 ( 0.000 0.000 0.000) 0.000 9.806 ( 0.000 0.000 0.000) 0.000 9.953 ( 0.000 0.000 0.000) 0.000 10.293 ( 0.000 0.000 0.000) 0.000 10.316 ( 0.000 0.000 0.000) 0.000 10.326 ( 0.000 0.000 0.000) 0.000 10.366 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.402 ( 0.000 0.000 0.000) 0.000 10.425 ( 0.000 0.000 0.000) 0.000 10.460 ( 0.000 0.000 0.000) 0.000 11.280 ( 0.000 0.000 0.000) 0.000 11.283 ( 0.000 0.000 0.000) 0.000 11.294 ( 0.000 0.000 0.000) 0.000 11.334 ( 0.000 0.000 0.000) 0.000 13.543 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 13.545 ( 0.000 0.000 0.000) 0.000 13.548 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/27) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( 16.058 0.000 0.000) 16.058 0.344 ( 16.217 0.000 0.000) 16.217 0.613 ( 27.820 0.000 0.000) 27.820 0.653 ( 0.504 0.000 0.000) 0.504 0.712 ( -2.816 0.000 0.000) 2.816 0.740 ( -1.012 0.000 0.000) 1.012 0.742 ( 1.691 0.000 0.000) 1.691 0.770 ( 1.723 0.000 0.000) 1.723 0.786 ( 0.054 0.000 0.000) 0.054 0.794 ( -3.566 0.000 0.000) 3.566 0.801 ( 0.512 0.000 0.000) 0.512 0.813 ( -1.121 0.000 0.000) 1.121 0.826 ( 1.180 0.000 0.000) 1.180 0.846 ( -2.568 0.000 0.000) 2.568 0.894 ( -0.567 0.000 0.000) 0.567 0.895 ( -1.352 0.000 0.000) 1.352 0.923 ( 0.609 0.000 0.000) 0.609 0.929 ( -1.124 0.000 0.000) 1.124 0.961 ( -3.249 0.000 0.000) 3.249 0.961 ( 0.315 0.000 0.000) 0.315 1.001 ( -5.889 0.000 0.000) 5.889 1.004 ( 2.171 0.000 0.000) 2.171 1.030 ( 2.145 0.000 0.000) 2.145 1.041 ( 2.368 0.000 0.000) 2.368 1.061 ( 1.888 0.000 0.000) 1.888 1.070 ( 5.108 0.000 0.000) 5.108 1.086 ( 1.252 0.000 0.000) 1.252 1.090 ( -3.280 0.000 0.000) 3.280 1.123 ( 1.597 0.000 0.000) 1.597 1.132 ( -3.630 0.000 0.000) 3.630 1.147 ( -2.590 0.000 0.000) 2.590 1.163 ( 0.163 0.000 0.000) 0.163 1.194 ( -0.566 0.000 0.000) 0.566 1.203 ( 4.770 0.000 0.000) 4.770 1.234 ( -2.966 0.000 0.000) 2.966 1.240 ( -3.826 0.000 0.000) 3.826 1.290 ( 3.098 0.000 0.000) 3.098 1.299 ( 0.741 0.000 0.000) 0.741 1.303 ( 1.283 0.000 0.000) 1.283 1.315 ( 0.917 0.000 0.000) 0.917 1.320 ( 2.181 0.000 0.000) 2.181 1.342 ( -2.119 0.000 0.000) 2.119 1.372 ( -1.569 0.000 0.000) 1.569 1.374 ( -1.092 0.000 0.000) 1.092 1.417 ( -0.161 0.000 0.000) 0.161 1.443 ( -1.924 0.000 0.000) 1.924 1.443 ( -3.328 0.000 0.000) 3.328 1.464 ( 2.365 0.000 0.000) 2.365 1.483 ( 0.069 0.000 0.000) 0.069 1.499 ( 0.424 0.000 0.000) 0.424 1.531 ( -0.074 0.000 0.000) 0.074 1.536 ( 1.450 0.000 0.000) 1.450 1.539 ( 0.210 0.000 0.000) 0.210 1.564 ( 0.773 0.000 0.000) 0.773 1.565 ( 1.698 0.000 0.000) 1.698 1.599 ( -4.198 0.000 0.000) 4.198 1.608 ( 1.252 0.000 0.000) 1.252 1.614 ( 1.012 0.000 0.000) 1.012 1.618 ( 1.112 0.000 0.000) 1.112 1.631 ( -4.628 0.000 0.000) 4.628 1.634 ( -2.425 0.000 0.000) 2.425 1.650 ( -6.098 0.000 0.000) 6.098 1.669 ( -1.865 0.000 0.000) 1.865 1.690 ( 0.404 0.000 0.000) 0.404 1.739 ( 2.044 0.000 0.000) 2.044 1.754 ( -1.781 0.000 0.000) 1.781 1.759 ( -2.111 0.000 0.000) 2.111 1.767 ( 1.040 0.000 0.000) 1.040 1.776 ( 2.589 0.000 0.000) 2.589 1.799 ( 2.877 0.000 0.000) 2.877 1.802 ( -0.364 0.000 0.000) 0.364 1.815 ( -0.651 0.000 0.000) 0.651 1.823 ( 0.521 0.000 0.000) 0.521 1.834 ( -1.116 0.000 0.000) 1.116 1.844 ( 0.538 0.000 0.000) 0.538 1.860 ( 0.377 0.000 0.000) 0.377 1.891 ( -0.853 0.000 0.000) 0.853 1.892 ( -1.096 0.000 0.000) 1.096 1.935 ( -0.194 0.000 0.000) 0.194 1.940 ( 2.713 0.000 0.000) 2.713 1.946 ( -1.737 0.000 0.000) 1.737 1.982 ( -0.744 0.000 0.000) 0.744 1.997 ( -0.268 0.000 0.000) 0.268 2.002 ( 4.287 0.000 0.000) 4.287 2.019 ( -0.468 0.000 0.000) 0.468 2.027 ( -0.861 0.000 0.000) 0.861 2.050 ( -3.990 0.000 0.000) 3.990 2.078 ( -3.784 0.000 0.000) 3.784 2.111 ( -0.170 0.000 0.000) 0.170 2.152 ( 0.478 0.000 0.000) 0.478 2.152 ( 0.716 0.000 0.000) 0.716 2.152 ( 5.936 0.000 0.000) 5.936 2.174 ( 0.919 0.000 0.000) 0.919 2.178 ( 0.788 0.000 0.000) 0.788 2.205 ( -1.112 0.000 0.000) 1.112 2.260 ( 3.681 0.000 0.000) 3.681 2.261 ( -0.585 0.000 0.000) 0.585 2.265 ( 0.970 0.000 0.000) 0.970 2.302 ( 0.512 0.000 0.000) 0.512 2.349 ( 0.478 0.000 0.000) 0.478 2.357 ( 3.163 0.000 0.000) 3.163 2.372 ( -1.705 0.000 0.000) 1.705 2.375 ( -3.660 0.000 0.000) 3.660 2.409 ( -4.091 0.000 0.000) 4.091 2.426 ( 1.702 0.000 0.000) 1.702 2.442 ( -2.139 0.000 0.000) 2.139 2.484 ( -1.953 0.000 0.000) 1.953 2.497 ( -1.904 0.000 0.000) 1.904 2.536 ( -0.162 0.000 0.000) 0.162 2.557 ( 1.959 0.000 0.000) 1.959 2.562 ( 5.930 0.000 0.000) 5.930 2.585 ( -2.294 0.000 0.000) 2.294 2.620 ( 3.910 0.000 0.000) 3.910 2.639 ( 5.702 0.000 0.000) 5.702 2.649 ( 0.675 0.000 0.000) 0.675 2.674 ( 2.490 0.000 0.000) 2.490 2.674 ( 2.263 0.000 0.000) 2.263 2.678 ( -0.216 0.000 0.000) 0.216 2.690 ( -2.155 0.000 0.000) 2.155 2.710 ( 0.523 0.000 0.000) 0.523 2.738 ( -2.457 0.000 0.000) 2.457 2.746 ( 1.413 0.000 0.000) 1.413 2.748 ( 2.266 0.000 0.000) 2.266 2.771 ( 0.439 0.000 0.000) 0.439 2.774 ( 3.207 0.000 0.000) 3.207 2.791 ( -3.466 0.000 0.000) 3.466 2.800 ( 1.788 0.000 0.000) 1.788 2.810 ( -0.724 0.000 0.000) 0.724 2.818 ( -0.217 0.000 0.000) 0.217 2.870 ( -1.370 0.000 0.000) 1.370 2.883 ( -0.623 0.000 0.000) 0.623 2.936 ( -3.413 0.000 0.000) 3.413 2.959 ( -4.070 0.000 0.000) 4.070 2.994 ( -4.118 0.000 0.000) 4.118 3.112 ( 0.572 0.000 0.000) 0.572 3.149 ( 0.216 0.000 0.000) 0.216 3.152 ( -2.821 0.000 0.000) 2.821 3.186 ( -1.312 0.000 0.000) 1.312 3.212 ( 2.049 0.000 0.000) 2.049 3.256 ( 0.138 0.000 0.000) 0.138 3.288 ( 2.002 0.000 0.000) 2.002 3.423 ( -4.258 0.000 0.000) 4.258 3.451 ( 1.319 0.000 0.000) 1.319 3.511 ( -0.398 0.000 0.000) 0.398 3.518 ( 0.504 0.000 0.000) 0.504 3.532 ( -1.059 0.000 0.000) 1.059 3.549 ( -0.583 0.000 0.000) 0.583 3.584 ( 1.393 0.000 0.000) 1.393 3.604 ( -4.757 0.000 0.000) 4.757 3.613 ( -0.907 0.000 0.000) 0.907 3.640 ( 0.349 0.000 0.000) 0.349 3.699 ( -1.429 0.000 0.000) 1.429 3.731 ( -2.812 0.000 0.000) 2.812 3.757 ( -4.129 0.000 0.000) 4.129 3.834 ( 0.764 0.000 0.000) 0.764 3.840 ( -0.442 0.000 0.000) 0.442 3.856 ( -0.087 0.000 0.000) 0.087 3.872 ( -0.208 0.000 0.000) 0.208 3.932 ( -1.806 0.000 0.000) 1.806 3.942 ( -3.484 0.000 0.000) 3.484 4.073 ( 9.284 0.000 0.000) 9.284 4.122 ( 5.630 0.000 0.000) 5.630 4.125 ( 7.254 0.000 0.000) 7.254 4.236 ( 4.508 0.000 0.000) 4.508 4.656 ( -2.823 0.000 0.000) 2.823 4.663 ( -2.814 0.000 0.000) 2.814 4.805 ( 1.080 0.000 0.000) 1.080 5.025 ( -6.261 0.000 0.000) 6.261 5.490 ( 1.005 0.000 0.000) 1.005 5.510 ( 0.395 0.000 0.000) 0.395 5.647 ( 4.270 0.000 0.000) 4.270 5.819 ( -2.498 0.000 0.000) 2.498 7.867 ( 1.660 0.000 0.000) 1.660 7.906 ( 0.207 0.000 0.000) 0.207 7.946 ( 2.776 0.000 0.000) 2.776 8.084 ( -2.000 0.000 0.000) 2.000 8.215 ( -0.198 0.000 0.000) 0.198 8.251 ( -0.945 0.000 0.000) 0.945 8.265 ( -1.138 0.000 0.000) 1.138 8.285 ( -2.310 0.000 0.000) 2.310 8.686 ( 2.283 0.000 0.000) 2.283 8.712 ( 0.786 0.000 0.000) 0.786 8.747 ( -0.770 0.000 0.000) 0.770 8.747 ( 0.086 0.000 0.000) 0.086 8.786 ( 1.255 0.000 0.000) 1.255 8.814 ( 0.946 0.000 0.000) 0.946 8.823 ( 0.099 0.000 0.000) 0.099 8.832 ( -0.970 0.000 0.000) 0.970 8.928 ( 5.032 0.000 0.000) 5.032 9.058 ( -0.859 0.000 0.000) 0.859 9.103 ( -2.169 0.000 0.000) 2.169 9.110 ( -1.899 0.000 0.000) 1.899 9.272 ( 2.522 0.000 0.000) 2.522 9.365 ( -1.549 0.000 0.000) 1.549 9.368 ( 1.461 0.000 0.000) 1.461 9.470 ( -3.234 0.000 0.000) 3.234 9.660 ( 4.282 0.000 0.000) 4.282 9.791 ( -1.551 0.000 0.000) 1.551 9.809 ( 3.983 0.000 0.000) 3.983 10.000 ( -3.684 0.000 0.000) 3.684 10.297 ( -0.358 0.000 0.000) 0.358 10.303 ( -0.836 0.000 0.000) 0.836 10.332 ( 0.610 0.000 0.000) 0.610 10.373 ( -1.018 0.000 0.000) 1.018 10.378 ( 0.870 0.000 0.000) 0.870 10.401 ( -0.186 0.000 0.000) 0.186 10.433 ( 0.626 0.000 0.000) 0.626 10.456 ( -0.366 0.000 0.000) 0.366 11.280 ( 0.070 0.000 0.000) 0.070 11.283 ( -0.018 0.000 0.000) 0.018 11.300 ( 0.567 0.000 0.000) 0.567 11.328 ( -0.566 0.000 0.000) 0.566 13.543 ( 0.001 0.000 0.000) 0.001 13.544 ( -0.031 0.000 0.000) 0.031 13.544 ( -0.024 0.000 0.000) 0.024 13.546 ( -0.099 0.000 0.000) 0.099 ======================= Grid point 2 (3/27) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -11.379 0.000 0.000) 11.379 0.623 ( 11.379 0.000 0.000) 11.379 0.623 ( -10.170 0.000 0.000) 10.170 0.623 ( 10.170 0.000 0.000) 10.170 0.680 ( -3.059 0.000 0.000) 3.059 0.680 ( 3.059 0.000 0.000) 3.059 0.782 ( -1.199 0.000 0.000) 1.199 0.782 ( 1.199 0.000 0.000) 1.199 0.789 ( -0.477 0.000 0.000) 0.477 0.789 ( 0.477 0.000 0.000) 0.477 0.810 ( -4.070 0.000 0.000) 4.070 0.810 ( 4.070 0.000 0.000) 4.070 0.853 ( -3.886 0.000 0.000) 3.886 0.853 ( 3.886 0.000 0.000) 3.886 0.863 ( -2.077 0.000 0.000) 2.077 0.863 ( 2.077 0.000 0.000) 2.077 0.933 ( -0.194 0.000 0.000) 0.194 0.933 ( 0.194 0.000 0.000) 0.194 0.970 ( -0.162 0.000 0.000) 0.162 0.970 ( 0.162 0.000 0.000) 0.162 1.035 ( -0.900 0.000 0.000) 0.900 1.035 ( 0.900 0.000 0.000) 0.900 1.051 ( -2.820 0.000 0.000) 2.820 1.051 ( 2.820 0.000 0.000) 2.820 1.078 ( -1.200 0.000 0.000) 1.200 1.078 ( 1.200 0.000 0.000) 1.200 1.122 ( -1.884 0.000 0.000) 1.884 1.122 ( 1.884 0.000 0.000) 1.884 1.134 ( -5.535 0.000 0.000) 5.535 1.134 ( 5.535 0.000 0.000) 5.535 1.161 ( -3.414 0.000 0.000) 3.414 1.161 ( 3.414 0.000 0.000) 3.414 1.178 ( -2.119 0.000 0.000) 2.119 1.178 ( 2.119 0.000 0.000) 2.119 1.200 ( -8.651 0.000 0.000) 8.651 1.200 ( 8.651 0.000 0.000) 8.651 1.288 ( -0.457 0.000 0.000) 0.457 1.288 ( 0.457 0.000 0.000) 0.457 1.331 ( -0.267 0.000 0.000) 0.267 1.331 ( 0.267 0.000 0.000) 0.267 1.335 ( -2.435 0.000 0.000) 2.435 1.335 ( 2.435 0.000 0.000) 2.435 1.378 ( -0.025 0.000 0.000) 0.025 1.378 ( 0.025 0.000 0.000) 0.025 1.392 ( -1.255 0.000 0.000) 1.255 1.392 ( 1.255 0.000 0.000) 1.255 1.416 ( -2.383 0.000 0.000) 2.383 1.416 ( 2.383 0.000 0.000) 2.383 1.517 ( -2.199 0.000 0.000) 2.199 1.517 ( 2.199 0.000 0.000) 2.199 1.533 ( -1.274 0.000 0.000) 1.274 1.533 ( 1.274 0.000 0.000) 1.274 1.537 ( -0.515 0.000 0.000) 0.515 1.537 ( 0.515 0.000 0.000) 0.515 1.573 ( -0.518 0.000 0.000) 0.518 1.573 ( 0.518 0.000 0.000) 0.518 1.583 ( -0.732 0.000 0.000) 0.732 1.583 ( 0.732 0.000 0.000) 0.732 1.624 ( -0.705 0.000 0.000) 0.705 1.624 ( 0.705 0.000 0.000) 0.705 1.629 ( -0.802 0.000 0.000) 0.802 1.629 ( 0.802 0.000 0.000) 0.802 1.680 ( -3.705 0.000 0.000) 3.705 1.680 ( 3.705 0.000 0.000) 3.705 1.712 ( -2.016 0.000 0.000) 2.016 1.712 ( 2.016 0.000 0.000) 2.016 1.779 ( -1.922 0.000 0.000) 1.922 1.779 ( 1.922 0.000 0.000) 1.922 1.786 ( -0.759 0.000 0.000) 0.759 1.786 ( 0.759 0.000 0.000) 0.759 1.810 ( -0.575 0.000 0.000) 0.575 1.810 ( 0.575 0.000 0.000) 0.575 1.831 ( -0.051 0.000 0.000) 0.051 1.831 ( 0.051 0.000 0.000) 0.051 1.863 ( -1.366 0.000 0.000) 1.366 1.863 ( 1.366 0.000 0.000) 1.366 1.912 ( -1.400 0.000 0.000) 1.400 1.912 ( 1.400 0.000 0.000) 1.400 1.913 ( -1.846 0.000 0.000) 1.846 1.913 ( 1.846 0.000 0.000) 1.846 1.960 ( -3.722 0.000 0.000) 3.722 1.960 ( 3.722 0.000 0.000) 3.722 1.989 ( -0.695 0.000 0.000) 0.695 1.989 ( 0.695 0.000 0.000) 0.695 2.022 ( -1.601 0.000 0.000) 1.601 2.022 ( 1.601 0.000 0.000) 1.601 2.075 ( -2.646 0.000 0.000) 2.646 2.075 ( 2.646 0.000 0.000) 2.646 2.108 ( -4.089 0.000 0.000) 4.089 2.108 ( 4.089 0.000 0.000) 4.089 2.179 ( -0.560 0.000 0.000) 0.560 2.179 ( 0.560 0.000 0.000) 0.560 2.180 ( -1.180 0.000 0.000) 1.180 2.180 ( 1.180 0.000 0.000) 1.180 2.251 ( -1.683 0.000 0.000) 1.683 2.251 ( 1.683 0.000 0.000) 1.683 2.315 ( -3.087 0.000 0.000) 3.087 2.315 ( 3.087 0.000 0.000) 3.087 2.324 ( -2.651 0.000 0.000) 2.651 2.324 ( 2.651 0.000 0.000) 2.651 2.332 ( -1.578 0.000 0.000) 1.578 2.332 ( 1.578 0.000 0.000) 1.578 2.366 ( -3.749 0.000 0.000) 3.749 2.366 ( 3.749 0.000 0.000) 3.749 2.426 ( -3.529 0.000 0.000) 3.529 2.426 ( 3.529 0.000 0.000) 3.529 2.474 ( -2.162 0.000 0.000) 2.162 2.474 ( 2.162 0.000 0.000) 2.162 2.532 ( -1.914 0.000 0.000) 1.914 2.532 ( 1.914 0.000 0.000) 1.914 2.627 ( -3.783 0.000 0.000) 3.783 2.627 ( 3.783 0.000 0.000) 3.783 2.656 ( -1.585 0.000 0.000) 1.585 2.656 ( 1.585 0.000 0.000) 1.585 2.683 ( -1.791 0.000 0.000) 1.791 2.683 ( 1.791 0.000 0.000) 1.791 2.698 ( -2.432 0.000 0.000) 2.432 2.698 ( 2.432 0.000 0.000) 2.432 2.704 ( -0.820 0.000 0.000) 0.820 2.704 ( 0.820 0.000 0.000) 0.820 2.758 ( -3.626 0.000 0.000) 3.626 2.758 ( 3.626 0.000 0.000) 3.626 2.763 ( -1.458 0.000 0.000) 1.458 2.763 ( 1.458 0.000 0.000) 1.458 2.785 ( -0.466 0.000 0.000) 0.466 2.785 ( 0.466 0.000 0.000) 0.466 2.815 ( -0.036 0.000 0.000) 0.036 2.815 ( 0.036 0.000 0.000) 0.036 2.856 ( -0.356 0.000 0.000) 0.356 2.856 ( 0.356 0.000 0.000) 0.356 2.872 ( -0.964 0.000 0.000) 0.964 2.872 ( 0.964 0.000 0.000) 0.964 2.891 ( -4.148 0.000 0.000) 4.148 2.891 ( 4.148 0.000 0.000) 4.148 3.120 ( -0.563 0.000 0.000) 0.563 3.120 ( 0.563 0.000 0.000) 0.563 3.158 ( -0.929 0.000 0.000) 0.929 3.158 ( 0.929 0.000 0.000) 0.929 3.249 ( -1.186 0.000 0.000) 1.186 3.249 ( 1.186 0.000 0.000) 1.186 3.340 ( -3.417 0.000 0.000) 3.417 3.340 ( 3.417 0.000 0.000) 3.417 3.493 ( -2.391 0.000 0.000) 2.391 3.493 ( 2.391 0.000 0.000) 2.391 3.526 ( -1.945 0.000 0.000) 1.945 3.526 ( 1.945 0.000 0.000) 1.945 3.533 ( -0.922 0.000 0.000) 0.922 3.533 ( 0.922 0.000 0.000) 0.922 3.605 ( -0.569 0.000 0.000) 0.569 3.605 ( 0.569 0.000 0.000) 0.569 3.664 ( -1.784 0.000 0.000) 1.784 3.664 ( 1.784 0.000 0.000) 1.784 3.705 ( -0.416 0.000 0.000) 0.416 3.705 ( 0.416 0.000 0.000) 0.416 3.849 ( -0.634 0.000 0.000) 0.634 3.849 ( 0.634 0.000 0.000) 0.634 3.854 ( -1.476 0.000 0.000) 1.476 3.854 ( 1.476 0.000 0.000) 1.476 3.909 ( -0.240 0.000 0.000) 0.240 3.909 ( 0.240 0.000 0.000) 0.240 4.188 ( -0.878 0.000 0.000) 0.878 4.188 ( 0.878 0.000 0.000) 0.878 4.245 ( -3.693 0.000 0.000) 3.693 4.245 ( 3.693 0.000 0.000) 3.693 4.620 ( -0.321 0.000 0.000) 0.321 4.620 ( 0.321 0.000 0.000) 0.321 4.883 ( -6.575 0.000 0.000) 6.575 4.883 ( 6.575 0.000 0.000) 6.575 5.509 ( -0.597 0.000 0.000) 0.597 5.509 ( 0.597 0.000 0.000) 0.597 5.744 ( -4.741 0.000 0.000) 4.741 5.744 ( 4.741 0.000 0.000) 4.741 7.898 ( -1.143 0.000 0.000) 1.143 7.898 ( 1.143 0.000 0.000) 1.143 8.018 ( -4.000 0.000 0.000) 4.000 8.018 ( 4.000 0.000 0.000) 4.000 8.236 ( -2.147 0.000 0.000) 2.147 8.236 ( 2.147 0.000 0.000) 2.147 8.245 ( -0.476 0.000 0.000) 0.476 8.245 ( 0.476 0.000 0.000) 0.476 8.730 ( -0.913 0.000 0.000) 0.913 8.730 ( 0.913 0.000 0.000) 0.913 8.731 ( -1.769 0.000 0.000) 1.769 8.731 ( 1.769 0.000 0.000) 1.769 8.811 ( -1.157 0.000 0.000) 1.157 8.811 ( 1.157 0.000 0.000) 1.157 8.825 ( -0.044 0.000 0.000) 0.044 8.825 ( 0.044 0.000 0.000) 0.044 9.033 ( -4.745 0.000 0.000) 4.745 9.033 ( 4.745 0.000 0.000) 4.745 9.068 ( -1.762 0.000 0.000) 1.762 9.068 ( 1.762 0.000 0.000) 1.762 9.324 ( -2.452 0.000 0.000) 2.452 9.324 ( 2.452 0.000 0.000) 2.452 9.410 ( -2.652 0.000 0.000) 2.652 9.410 ( 2.652 0.000 0.000) 2.652 9.741 ( -3.461 0.000 0.000) 3.461 9.741 ( 3.461 0.000 0.000) 3.461 9.906 ( -5.207 0.000 0.000) 5.207 9.906 ( 5.207 0.000 0.000) 5.207 10.293 ( -0.082 0.000 0.000) 0.082 10.293 ( 0.082 0.000 0.000) 0.082 10.350 ( -1.144 0.000 0.000) 1.144 10.350 ( 1.144 0.000 0.000) 1.144 10.393 ( -0.567 0.000 0.000) 0.567 10.393 ( 0.567 0.000 0.000) 0.567 10.446 ( -0.628 0.000 0.000) 0.628 10.446 ( 0.628 0.000 0.000) 0.628 11.282 ( -0.084 0.000 0.000) 0.084 11.282 ( 0.084 0.000 0.000) 0.084 11.314 ( -0.791 0.000 0.000) 0.791 11.314 ( 0.791 0.000 0.000) 0.791 13.543 ( -0.023 0.000 0.000) 0.023 13.543 ( 0.023 0.000 0.000) 0.023 13.545 ( -0.054 0.000 0.000) 0.054 13.545 ( 0.054 0.000 0.000) 0.054 ======================= Grid point 5 (4/27) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.262 ( 0.000 13.267 0.000) 13.267 0.328 ( 0.000 16.534 0.000) 16.534 0.550 ( 0.000 25.896 0.000) 25.896 0.675 ( 0.000 1.725 0.000) 1.725 0.684 ( 0.000 -6.453 0.000) 6.453 0.696 ( 0.000 -1.757 0.000) 1.757 0.727 ( 0.000 -1.098 0.000) 1.098 0.741 ( 0.000 1.577 0.000) 1.577 0.770 ( 0.000 -2.967 0.000) 2.967 0.785 ( 0.000 -1.074 0.000) 1.074 0.820 ( 0.000 1.976 0.000) 1.976 0.845 ( 0.000 -4.434 0.000) 4.434 0.850 ( 0.000 1.284 0.000) 1.284 0.868 ( 0.000 2.472 0.000) 2.472 0.898 ( 0.000 -1.780 0.000) 1.780 0.906 ( 0.000 -0.987 0.000) 0.987 0.921 ( 0.000 -5.837 0.000) 5.837 0.932 ( 0.000 -0.911 0.000) 0.911 0.948 ( 0.000 -2.482 0.000) 2.482 0.952 ( 0.000 -1.067 0.000) 1.067 0.975 ( 0.000 -1.073 0.000) 1.073 0.976 ( 0.000 -1.115 0.000) 1.115 0.984 ( 0.000 3.278 0.000) 3.278 1.048 ( 0.000 2.214 0.000) 2.214 1.058 ( 0.000 4.211 0.000) 4.211 1.063 ( 0.000 -2.874 0.000) 2.874 1.075 ( 0.000 -0.961 0.000) 0.961 1.108 ( 0.000 0.781 0.000) 0.781 1.150 ( 0.000 1.279 0.000) 1.279 1.153 ( 0.000 3.139 0.000) 3.139 1.179 ( 0.000 -1.257 0.000) 1.257 1.201 ( 0.000 2.608 0.000) 2.608 1.202 ( 0.000 -3.052 0.000) 3.052 1.204 ( 0.000 2.643 0.000) 2.643 1.223 ( 0.000 0.151 0.000) 0.151 1.241 ( 0.000 -3.597 0.000) 3.597 1.262 ( 0.000 -2.262 0.000) 2.262 1.263 ( 0.000 0.238 0.000) 0.238 1.277 ( 0.000 -3.993 0.000) 3.993 1.297 ( 0.000 -1.024 0.000) 1.024 1.298 ( 0.000 0.122 0.000) 0.122 1.303 ( 0.000 -2.895 0.000) 2.895 1.325 ( 0.000 -2.809 0.000) 2.809 1.377 ( 0.000 -3.886 0.000) 3.886 1.427 ( 0.000 2.209 0.000) 2.209 1.456 ( 0.000 2.151 0.000) 2.151 1.470 ( 0.000 -0.758 0.000) 0.758 1.476 ( 0.000 1.698 0.000) 1.698 1.508 ( 0.000 0.588 0.000) 0.588 1.512 ( 0.000 -0.739 0.000) 0.739 1.517 ( 0.000 0.305 0.000) 0.305 1.539 ( 0.000 -0.040 0.000) 0.040 1.551 ( 0.000 1.056 0.000) 1.056 1.556 ( 0.000 2.108 0.000) 2.108 1.572 ( 0.000 -2.388 0.000) 2.388 1.587 ( 0.000 1.610 0.000) 1.610 1.596 ( 0.000 1.264 0.000) 1.264 1.611 ( 0.000 2.585 0.000) 2.585 1.612 ( 0.000 1.650 0.000) 1.650 1.639 ( 0.000 1.019 0.000) 1.019 1.661 ( 0.000 -1.935 0.000) 1.935 1.681 ( 0.000 1.312 0.000) 1.312 1.706 ( 0.000 -0.612 0.000) 0.612 1.710 ( 0.000 -0.112 0.000) 0.112 1.727 ( 0.000 0.428 0.000) 0.428 1.748 ( 0.000 -0.583 0.000) 0.583 1.750 ( 0.000 1.179 0.000) 1.179 1.767 ( 0.000 1.204 0.000) 1.204 1.779 ( 0.000 0.507 0.000) 0.507 1.796 ( 0.000 0.373 0.000) 0.373 1.806 ( 0.000 -0.456 0.000) 0.456 1.814 ( 0.000 0.335 0.000) 0.335 1.830 ( 0.000 0.739 0.000) 0.739 1.842 ( 0.000 0.167 0.000) 0.167 1.863 ( 0.000 -0.958 0.000) 0.958 1.888 ( 0.000 -0.936 0.000) 0.936 1.894 ( 0.000 -0.945 0.000) 0.945 1.895 ( 0.000 -1.666 0.000) 1.666 1.895 ( 0.000 3.078 0.000) 3.078 1.935 ( 0.000 0.783 0.000) 0.783 1.953 ( 0.000 -0.545 0.000) 0.545 1.965 ( 0.000 -1.033 0.000) 1.033 1.999 ( 0.000 -1.321 0.000) 1.321 2.014 ( 0.000 0.336 0.000) 0.336 2.021 ( 0.000 1.916 0.000) 1.916 2.042 ( 0.000 -0.321 0.000) 0.321 2.066 ( 0.000 0.534 0.000) 0.534 2.077 ( 0.000 -3.203 0.000) 3.203 2.089 ( 0.000 -0.281 0.000) 0.281 2.109 ( 0.000 0.133 0.000) 0.133 2.122 ( 0.000 -1.869 0.000) 1.869 2.152 ( 0.000 1.203 0.000) 1.203 2.155 ( 0.000 -2.407 0.000) 2.407 2.204 ( 0.000 0.710 0.000) 0.710 2.234 ( 0.000 5.335 0.000) 5.335 2.248 ( 0.000 1.815 0.000) 1.815 2.268 ( 0.000 0.022 0.000) 0.022 2.275 ( 0.000 0.082 0.000) 0.082 2.316 ( 0.000 0.509 0.000) 0.509 2.321 ( 0.000 1.872 0.000) 1.872 2.335 ( 0.000 1.344 0.000) 1.344 2.347 ( 0.000 -2.430 0.000) 2.430 2.363 ( 0.000 0.226 0.000) 0.226 2.410 ( 0.000 -3.602 0.000) 3.602 2.424 ( 0.000 -0.557 0.000) 0.557 2.430 ( 0.000 1.953 0.000) 1.953 2.477 ( 0.000 2.526 0.000) 2.526 2.492 ( 0.000 -0.985 0.000) 0.985 2.495 ( 0.000 -3.585 0.000) 3.585 2.527 ( 0.000 0.675 0.000) 0.675 2.539 ( 0.000 -0.272 0.000) 0.272 2.559 ( 0.000 2.075 0.000) 2.075 2.584 ( 0.000 1.315 0.000) 1.315 2.603 ( 0.000 2.020 0.000) 2.020 2.614 ( 0.000 -1.941 0.000) 1.941 2.628 ( 0.000 0.551 0.000) 0.551 2.639 ( 0.000 2.064 0.000) 2.064 2.670 ( 0.000 1.064 0.000) 1.064 2.687 ( 0.000 -1.481 0.000) 1.481 2.698 ( 0.000 -0.953 0.000) 0.953 2.724 ( 0.000 -0.035 0.000) 0.035 2.749 ( 0.000 0.149 0.000) 0.149 2.755 ( 0.000 0.464 0.000) 0.464 2.775 ( 0.000 0.299 0.000) 0.299 2.778 ( 0.000 -1.760 0.000) 1.760 2.797 ( 0.000 1.110 0.000) 1.110 2.802 ( 0.000 -0.987 0.000) 0.987 2.830 ( 0.000 -1.082 0.000) 1.082 2.856 ( 0.000 -1.086 0.000) 1.086 2.870 ( 0.000 -0.768 0.000) 0.768 2.882 ( 0.000 -0.444 0.000) 0.444 2.941 ( 0.000 -3.943 0.000) 3.943 3.006 ( 0.000 0.632 0.000) 0.632 3.055 ( 0.000 1.104 0.000) 1.104 3.081 ( 0.000 -1.159 0.000) 1.159 3.121 ( 0.000 -8.904 0.000) 8.904 3.160 ( 0.000 0.759 0.000) 0.759 3.181 ( 0.000 -0.610 0.000) 0.610 3.209 ( 0.000 1.608 0.000) 1.608 3.287 ( 0.000 0.716 0.000) 0.716 3.289 ( 0.000 0.292 0.000) 0.292 3.364 ( 0.000 -5.479 0.000) 5.479 3.467 ( 0.000 -0.150 0.000) 0.150 3.506 ( 0.000 -1.356 0.000) 1.356 3.521 ( 0.000 0.753 0.000) 0.753 3.543 ( 0.000 -0.725 0.000) 0.725 3.545 ( 0.000 -0.103 0.000) 0.103 3.586 ( 0.000 1.685 0.000) 1.685 3.596 ( 0.000 -4.365 0.000) 4.365 3.637 ( 0.000 -0.621 0.000) 0.621 3.691 ( 0.000 1.233 0.000) 1.233 3.726 ( 0.000 -0.298 0.000) 0.298 3.749 ( 0.000 -1.159 0.000) 1.159 3.767 ( 0.000 -3.868 0.000) 3.868 3.788 ( 0.000 -2.708 0.000) 2.708 3.802 ( 0.000 -7.932 0.000) 7.932 3.844 ( 0.000 0.026 0.000) 0.026 3.849 ( 0.000 0.266 0.000) 0.266 3.852 ( 0.000 -1.336 0.000) 1.336 3.871 ( 0.000 -0.424 0.000) 0.424 4.132 ( 0.000 9.317 0.000) 9.317 4.214 ( 0.000 13.625 0.000) 13.625 4.243 ( 0.000 7.772 0.000) 7.772 4.292 ( 0.000 11.975 0.000) 11.975 4.642 ( 0.000 -4.361 0.000) 4.361 4.681 ( 0.000 0.809 0.000) 0.809 4.757 ( 0.000 -4.761 0.000) 4.761 5.015 ( 0.000 -7.906 0.000) 7.906 5.516 ( 0.000 1.773 0.000) 1.773 5.544 ( 0.000 6.059 0.000) 6.059 5.588 ( 0.000 -1.226 0.000) 1.226 5.798 ( 0.000 -4.526 0.000) 4.526 7.865 ( 0.000 0.999 0.000) 0.999 7.904 ( 0.000 0.194 0.000) 0.194 7.908 ( 0.000 -0.688 0.000) 0.688 7.914 ( 0.000 -0.285 0.000) 0.285 8.228 ( 0.000 0.476 0.000) 0.476 8.267 ( 0.000 -1.037 0.000) 1.037 8.268 ( 0.000 0.266 0.000) 0.266 8.299 ( 0.000 -1.094 0.000) 1.094 8.666 ( 0.000 0.620 0.000) 0.620 8.696 ( 0.000 -0.625 0.000) 0.625 8.713 ( 0.000 -0.074 0.000) 0.074 8.744 ( 0.000 -1.759 0.000) 1.759 8.768 ( 0.000 0.568 0.000) 0.568 8.797 ( 0.000 -0.580 0.000) 0.580 8.826 ( 0.000 0.449 0.000) 0.449 8.847 ( 0.000 -0.401 0.000) 0.401 8.878 ( 0.000 1.764 0.000) 1.764 9.001 ( 0.000 1.286 0.000) 1.286 9.046 ( 0.000 -6.240 0.000) 6.240 9.087 ( 0.000 -2.925 0.000) 2.925 9.333 ( 0.000 6.788 0.000) 6.788 9.424 ( 0.000 3.751 0.000) 3.751 9.431 ( 0.000 5.316 0.000) 5.316 9.503 ( 0.000 -1.710 0.000) 1.710 9.652 ( 0.000 2.777 0.000) 2.777 9.743 ( 0.000 -1.869 0.000) 1.869 9.778 ( 0.000 -2.602 0.000) 2.602 9.881 ( 0.000 -6.490 0.000) 6.490 10.305 ( 0.000 1.837 0.000) 1.837 10.327 ( 0.000 1.014 0.000) 1.014 10.362 ( 0.000 -0.446 0.000) 0.446 10.385 ( 0.000 4.663 0.000) 4.663 10.389 ( 0.000 -1.341 0.000) 1.341 10.391 ( 0.000 0.577 0.000) 0.577 10.419 ( 0.000 -0.573 0.000) 0.573 10.565 ( 0.000 -3.382 0.000) 3.382 11.286 ( 0.000 0.288 0.000) 0.288 11.287 ( 0.000 0.741 0.000) 0.741 11.294 ( 0.000 0.005 0.000) 0.005 11.326 ( 0.000 -0.821 0.000) 0.821 13.543 ( 0.000 0.032 0.000) 0.032 13.545 ( 0.000 -0.029 0.000) 0.029 13.545 ( 0.000 0.058 0.000) 0.058 13.547 ( 0.000 -0.047 0.000) 0.047 ======================= Grid point 6 (5/27) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.393 ( 9.981 8.451 0.000) 13.078 0.413 ( 11.587 6.898 0.000) 13.485 0.659 ( -0.520 0.929 0.000) 1.065 0.670 ( -1.608 -1.242 0.000) 2.032 0.709 ( 1.630 -5.739 0.000) 5.966 0.727 ( -0.704 -0.854 0.000) 1.107 0.741 ( 0.717 0.584 0.000) 0.925 0.763 ( -2.131 -3.854 0.000) 4.404 0.778 ( -0.240 -0.510 0.000) 0.563 0.810 ( 5.982 5.934 0.000) 8.425 0.821 ( -0.382 1.795 0.000) 1.835 0.827 ( 3.249 0.405 0.000) 3.274 0.874 ( -2.969 -4.021 0.000) 4.999 0.880 ( 1.181 3.635 0.000) 3.822 0.884 ( 9.051 7.513 0.000) 11.762 0.887 ( 0.632 -0.670 0.000) 0.921 0.916 ( -1.622 0.476 0.000) 1.690 0.928 ( 0.142 -2.044 0.000) 2.049 0.933 ( 0.962 -0.576 0.000) 1.121 0.962 ( -0.249 -0.713 0.000) 0.755 0.994 ( 1.518 0.147 0.000) 1.525 1.002 ( 1.463 0.218 0.000) 1.479 1.027 ( -3.263 -0.026 0.000) 3.263 1.032 ( 0.843 0.488 0.000) 0.974 1.061 ( 0.716 -0.417 0.000) 0.828 1.063 ( 0.205 -0.538 0.000) 0.575 1.081 ( 0.622 -0.478 0.000) 0.785 1.086 ( -4.387 2.750 0.000) 5.178 1.112 ( 0.440 0.544 0.000) 0.700 1.146 ( 1.208 -1.239 0.000) 1.731 1.162 ( -1.877 -0.711 0.000) 2.007 1.179 ( -0.003 4.460 0.000) 4.460 1.193 ( -1.623 -0.629 0.000) 1.741 1.200 ( 1.253 -1.651 0.000) 2.073 1.205 ( -0.640 -1.351 0.000) 1.495 1.233 ( -3.064 0.286 0.000) 3.077 1.280 ( 1.326 -1.853 0.000) 2.278 1.297 ( 2.688 -0.882 0.000) 2.829 1.297 ( 2.645 -0.731 0.000) 2.744 1.308 ( 0.645 -1.208 0.000) 1.369 1.316 ( 3.398 -0.178 0.000) 3.403 1.325 ( -0.995 -0.141 0.000) 1.005 1.330 ( 1.380 -3.359 0.000) 3.631 1.372 ( -0.819 -1.026 0.000) 1.313 1.434 ( -1.586 0.130 0.000) 1.591 1.439 ( -3.555 -0.098 0.000) 3.556 1.447 ( 1.624 1.702 0.000) 2.352 1.477 ( -1.693 0.192 0.000) 1.704 1.480 ( 0.718 -2.161 0.000) 2.277 1.497 ( 0.137 2.783 0.000) 2.787 1.524 ( 0.384 0.482 0.000) 0.616 1.550 ( 1.078 -0.213 0.000) 1.099 1.559 ( 0.940 1.638 0.000) 1.889 1.568 ( 0.739 -0.093 0.000) 0.744 1.585 ( 1.596 1.570 0.000) 2.239 1.601 ( 0.045 0.781 0.000) 0.782 1.601 ( -0.773 0.346 0.000) 0.847 1.620 ( 0.970 -0.070 0.000) 0.972 1.634 ( -1.798 1.266 0.000) 2.199 1.642 ( -3.976 0.787 0.000) 4.053 1.644 ( -2.234 -1.100 0.000) 2.490 1.672 ( -0.436 1.898 0.000) 1.947 1.678 ( 0.608 -0.038 0.000) 0.609 1.689 ( -2.553 1.353 0.000) 2.890 1.729 ( 1.882 -0.597 0.000) 1.975 1.742 ( 0.923 -0.929 0.000) 1.310 1.751 ( -1.355 -0.314 0.000) 1.391 1.753 ( -3.153 -0.088 0.000) 3.154 1.776 ( -0.866 -0.259 0.000) 0.904 1.791 ( -0.776 0.751 0.000) 1.079 1.811 ( 1.078 -0.423 0.000) 1.158 1.816 ( 0.004 0.495 0.000) 0.495 1.827 ( 2.987 0.543 0.000) 3.036 1.839 ( 0.217 -0.284 0.000) 0.358 1.862 ( -1.171 -0.059 0.000) 1.172 1.876 ( -0.817 1.638 0.000) 1.830 1.887 ( -0.690 -0.600 0.000) 0.914 1.894 ( -0.757 1.220 0.000) 1.436 1.904 ( 0.492 -0.443 0.000) 0.662 1.918 ( -1.094 -2.242 0.000) 2.495 1.960 ( -2.568 -0.286 0.000) 2.584 1.968 ( 1.470 -1.584 0.000) 2.161 1.971 ( 2.084 -1.552 0.000) 2.598 2.018 ( -2.345 -1.623 0.000) 2.851 2.022 ( 0.313 0.873 0.000) 0.928 2.037 ( 1.036 1.453 0.000) 1.785 2.046 ( -0.712 0.867 0.000) 1.122 2.076 ( -2.608 -0.651 0.000) 2.688 2.112 ( -0.326 -0.659 0.000) 0.735 2.116 ( 3.413 -0.742 0.000) 3.493 2.158 ( 2.055 -1.372 0.000) 2.471 2.160 ( 0.474 -0.494 0.000) 0.685 2.195 ( -0.471 -0.059 0.000) 0.474 2.205 ( -1.098 5.135 0.000) 5.251 2.219 ( 2.839 0.620 0.000) 2.905 2.261 ( 3.225 1.429 0.000) 3.528 2.269 ( 0.186 0.792 0.000) 0.814 2.273 ( 0.348 0.766 0.000) 0.841 2.307 ( 0.315 0.444 0.000) 0.544 2.350 ( 0.790 -0.331 0.000) 0.857 2.350 ( -1.205 -2.325 0.000) 2.619 2.360 ( 2.108 0.813 0.000) 2.260 2.371 ( -2.893 -0.185 0.000) 2.899 2.406 ( -2.515 2.820 0.000) 3.779 2.412 ( -0.345 -2.257 0.000) 2.283 2.435 ( 0.264 -1.288 0.000) 1.314 2.493 ( 3.647 -5.067 0.000) 6.243 2.494 ( -1.274 -0.767 0.000) 1.487 2.507 ( -0.421 1.554 0.000) 1.610 2.514 ( -0.516 -2.829 0.000) 2.876 2.547 ( 1.598 -1.087 0.000) 1.933 2.591 ( 3.076 1.636 0.000) 3.484 2.604 ( 0.316 -0.317 0.000) 0.448 2.631 ( 1.486 -0.251 0.000) 1.507 2.633 ( 4.767 1.157 0.000) 4.905 2.651 ( 1.229 -0.108 0.000) 1.234 2.679 ( 5.301 0.149 0.000) 5.303 2.682 ( -1.401 -0.971 0.000) 1.705 2.698 ( 1.867 2.153 0.000) 2.850 2.702 ( 0.250 -1.929 0.000) 1.945 2.728 ( -0.363 2.167 0.000) 2.198 2.736 ( -1.413 0.966 0.000) 1.712 2.756 ( 0.650 -2.971 0.000) 3.042 2.759 ( -2.329 -0.357 0.000) 2.357 2.780 ( 2.434 0.272 0.000) 2.449 2.799 ( -1.211 0.127 0.000) 1.218 2.820 ( 2.175 0.784 0.000) 2.313 2.820 ( -0.283 0.598 0.000) 0.662 2.848 ( -0.473 0.578 0.000) 0.747 2.863 ( -1.108 -1.124 0.000) 1.578 2.871 ( -0.536 -0.840 0.000) 0.996 2.923 ( -1.714 -2.198 0.000) 2.787 2.960 ( -4.291 0.626 0.000) 4.337 3.013 ( -3.813 1.551 0.000) 4.116 3.059 ( -3.404 -6.889 0.000) 7.684 3.071 ( -1.113 -2.448 0.000) 2.689 3.170 ( 0.778 1.105 0.000) 1.351 3.205 ( 2.115 -0.696 0.000) 2.227 3.214 ( -1.281 1.371 0.000) 1.876 3.268 ( 0.312 1.414 0.000) 1.448 3.296 ( 0.506 0.042 0.000) 0.508 3.398 ( 2.766 -5.859 0.000) 6.479 3.418 ( -4.256 -0.038 0.000) 4.256 3.494 ( -1.007 -2.088 0.000) 2.319 3.521 ( 0.157 0.691 0.000) 0.709 3.540 ( -0.252 0.455 0.000) 0.520 3.556 ( 0.264 0.204 0.000) 0.334 3.584 ( -1.619 -2.738 0.000) 3.181 3.589 ( 0.556 0.854 0.000) 1.019 3.633 ( 0.150 -0.776 0.000) 0.790 3.643 ( -2.453 2.645 0.000) 3.607 3.667 ( -3.087 0.712 0.000) 3.168 3.709 ( -4.127 -3.054 0.000) 5.134 3.712 ( -1.937 -0.086 0.000) 1.939 3.787 ( -0.299 -3.184 0.000) 3.198 3.793 ( -0.597 -6.460 0.000) 6.488 3.853 ( 0.426 -0.253 0.000) 0.496 3.861 ( 0.421 -0.105 0.000) 0.434 3.876 ( 0.413 -0.725 0.000) 0.834 3.884 ( 0.628 -2.371 0.000) 2.453 4.189 ( 4.682 7.485 0.000) 8.828 4.268 ( 2.146 8.183 0.000) 8.460 4.291 ( 6.168 11.070 0.000) 12.672 4.357 ( 4.185 10.078 0.000) 10.912 4.613 ( -2.281 -3.960 0.000) 4.570 4.644 ( -3.211 0.712 0.000) 3.289 4.764 ( 1.351 -4.386 0.000) 4.589 4.960 ( -5.151 -6.696 0.000) 8.448 5.528 ( 0.834 1.885 0.000) 2.061 5.544 ( 0.004 5.142 0.000) 5.142 5.626 ( 3.459 -2.070 0.000) 4.031 5.775 ( -2.298 -4.327 0.000) 4.899 7.878 ( 1.598 1.252 0.000) 2.030 7.911 ( 0.424 0.423 0.000) 0.598 7.938 ( 2.187 -0.761 0.000) 2.316 7.993 ( 2.553 -5.468 0.000) 6.035 8.219 ( -0.407 0.558 0.000) 0.691 8.252 ( -1.113 0.102 0.000) 1.118 8.259 ( -0.902 -0.872 0.000) 1.254 8.275 ( -2.100 -0.894 0.000) 2.283 8.683 ( 1.485 -0.004 0.000) 1.485 8.707 ( 0.909 -0.592 0.000) 1.085 8.723 ( 0.264 -1.123 0.000) 1.154 8.738 ( -0.438 -1.082 0.000) 1.167 8.783 ( 1.305 0.017 0.000) 1.305 8.803 ( 0.646 -0.619 0.000) 0.895 8.824 ( -0.292 0.143 0.000) 0.325 8.832 ( -0.874 -0.087 0.000) 0.879 8.935 ( 4.528 0.976 0.000) 4.632 9.040 ( 1.461 -0.548 0.000) 1.560 9.052 ( 0.435 -4.494 0.000) 4.515 9.077 ( -1.038 -1.911 0.000) 2.175 9.346 ( 1.152 6.053 0.000) 6.162 9.403 ( -1.443 4.179 0.000) 4.421 9.439 ( 0.422 4.503 0.000) 4.523 9.486 ( -1.674 0.319 0.000) 1.704 9.673 ( 2.447 1.773 0.000) 3.022 9.760 ( -0.275 -2.479 0.000) 2.495 9.786 ( 2.255 -2.391 0.000) 3.287 9.895 ( -0.427 -7.698 0.000) 7.710 10.308 ( 0.170 1.616 0.000) 1.625 10.318 ( -0.580 1.399 0.000) 1.515 10.370 ( 0.604 -0.767 0.000) 0.977 10.378 ( -0.559 3.710 0.000) 3.752 10.383 ( -0.620 0.930 0.000) 1.118 10.386 ( -0.262 -1.274 0.000) 1.301 10.426 ( 0.580 -0.750 0.000) 0.948 10.493 ( -3.826 0.158 0.000) 3.830 11.287 ( 0.034 0.339 0.000) 0.341 11.287 ( 0.007 0.669 0.000) 0.669 11.298 ( 0.434 -0.125 0.000) 0.451 11.321 ( -0.451 -0.704 0.000) 0.836 13.543 ( -0.001 0.027 0.000) 0.027 13.544 ( -0.041 0.047 0.000) 0.062 13.544 ( -0.019 -0.023 0.000) 0.030 13.546 ( -0.089 -0.035 0.000) 0.096 ======================= Grid point 7 (6/27) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.580 ( -2.253 -0.011 0.000) 2.253 0.580 ( 2.253 -0.011 0.000) 2.253 0.660 ( -1.462 -0.492 0.000) 1.542 0.660 ( 1.462 -0.492 0.000) 1.542 0.690 ( -4.495 3.740 0.000) 5.848 0.690 ( 4.495 3.740 0.000) 5.848 0.730 ( -0.445 -4.309 0.000) 4.332 0.730 ( 0.445 -4.309 0.000) 4.332 0.786 ( -1.127 -0.103 0.000) 1.132 0.786 ( 1.127 -0.103 0.000) 1.132 0.830 ( -1.436 0.272 0.000) 1.461 0.830 ( 1.436 0.272 0.000) 1.461 0.875 ( -2.405 1.394 0.000) 2.780 0.875 ( 2.405 1.394 0.000) 2.780 0.907 ( -1.127 -0.824 0.000) 1.396 0.907 ( 1.127 -0.824 0.000) 1.396 0.933 ( -0.092 -0.795 0.000) 0.800 0.933 ( 0.092 -0.795 0.000) 0.800 0.945 ( -3.641 0.902 0.000) 3.750 0.945 ( 3.641 0.902 0.000) 3.750 1.022 ( -0.116 -0.971 0.000) 0.978 1.022 ( 0.116 -0.971 0.000) 0.978 1.033 ( -0.008 -0.430 0.000) 0.430 1.033 ( 0.008 -0.430 0.000) 0.430 1.048 ( -0.827 -2.307 0.000) 2.450 1.048 ( 0.827 -2.307 0.000) 2.450 1.122 ( -0.693 1.148 0.000) 1.341 1.122 ( 0.693 1.148 0.000) 1.341 1.129 ( -3.238 -2.294 0.000) 3.969 1.129 ( 3.238 -2.294 0.000) 3.969 1.169 ( -0.270 2.356 0.000) 2.372 1.169 ( 0.270 2.356 0.000) 2.372 1.201 ( -0.806 1.440 0.000) 1.650 1.201 ( 0.806 1.440 0.000) 1.650 1.246 ( -4.589 2.519 0.000) 5.235 1.246 ( 4.589 2.519 0.000) 5.235 1.296 ( -0.536 0.720 0.000) 0.898 1.296 ( 0.536 0.720 0.000) 0.898 1.312 ( -0.595 -1.463 0.000) 1.580 1.312 ( 0.595 -1.463 0.000) 1.580 1.342 ( -0.329 0.155 0.000) 0.364 1.342 ( 0.329 0.155 0.000) 0.364 1.364 ( -2.070 -1.395 0.000) 2.496 1.364 ( 2.070 -1.395 0.000) 2.496 1.396 ( -2.721 2.289 0.000) 3.556 1.396 ( 2.721 2.289 0.000) 3.556 1.425 ( -2.717 1.750 0.000) 3.232 1.425 ( 2.717 1.750 0.000) 3.232 1.503 ( -2.531 -1.827 0.000) 3.122 1.503 ( 2.531 -1.827 0.000) 3.122 1.538 ( -3.272 0.291 0.000) 3.285 1.538 ( 3.272 0.291 0.000) 3.285 1.565 ( -1.018 1.718 0.000) 1.997 1.565 ( 1.018 1.718 0.000) 1.997 1.587 ( -1.222 1.864 0.000) 2.229 1.587 ( 1.222 1.864 0.000) 2.229 1.594 ( -0.886 0.773 0.000) 1.176 1.594 ( 0.886 0.773 0.000) 1.176 1.647 ( -2.276 1.893 0.000) 2.960 1.647 ( 2.276 1.893 0.000) 2.960 1.658 ( -2.473 0.390 0.000) 2.503 1.658 ( 2.473 0.390 0.000) 2.503 1.674 ( -0.338 -2.035 0.000) 2.063 1.674 ( 0.338 -2.035 0.000) 2.063 1.685 ( -2.229 0.650 0.000) 2.322 1.685 ( 2.229 0.650 0.000) 2.322 1.756 ( -0.471 -1.952 0.000) 2.007 1.756 ( 0.471 -1.952 0.000) 2.007 1.774 ( -1.495 -0.188 0.000) 1.507 1.774 ( 1.495 -0.188 0.000) 1.507 1.818 ( -0.391 0.549 0.000) 0.674 1.818 ( 0.391 0.549 0.000) 0.674 1.850 ( -0.320 0.393 0.000) 0.507 1.850 ( 0.320 0.393 0.000) 0.507 1.861 ( -0.171 0.586 0.000) 0.611 1.861 ( 0.171 0.586 0.000) 0.611 1.896 ( -0.592 -0.970 0.000) 1.136 1.896 ( 0.592 -0.970 0.000) 1.136 1.909 ( -2.472 -0.315 0.000) 2.492 1.909 ( 2.472 -0.315 0.000) 2.492 1.941 ( -3.972 -1.885 0.000) 4.397 1.941 ( 3.972 -1.885 0.000) 4.397 1.988 ( -0.261 -1.456 0.000) 1.479 1.988 ( 0.261 -1.456 0.000) 1.479 2.035 ( -1.068 1.862 0.000) 2.147 2.035 ( 1.068 1.862 0.000) 2.147 2.075 ( -2.334 -0.277 0.000) 2.350 2.075 ( 2.334 -0.277 0.000) 2.350 2.104 ( -3.198 0.084 0.000) 3.199 2.104 ( 3.198 0.084 0.000) 3.199 2.165 ( -0.327 -1.080 0.000) 1.129 2.165 ( 0.327 -1.080 0.000) 1.129 2.204 ( -0.375 2.056 0.000) 2.090 2.204 ( 0.375 2.056 0.000) 2.090 2.261 ( -1.460 1.118 0.000) 1.839 2.261 ( 1.460 1.118 0.000) 1.839 2.303 ( -2.270 -1.546 0.000) 2.747 2.303 ( 2.270 -1.546 0.000) 2.747 2.323 ( -0.780 0.213 0.000) 0.809 2.323 ( 0.780 0.213 0.000) 0.809 2.351 ( -1.020 1.655 0.000) 1.944 2.351 ( 1.020 1.655 0.000) 1.944 2.368 ( -0.839 0.562 0.000) 1.010 2.368 ( 0.839 0.562 0.000) 1.010 2.422 ( -2.022 -0.015 0.000) 2.022 2.422 ( 2.022 -0.015 0.000) 2.022 2.485 ( -0.605 0.902 0.000) 1.086 2.485 ( 0.605 0.902 0.000) 1.086 2.504 ( -0.227 -2.061 0.000) 2.074 2.504 ( 0.227 -2.061 0.000) 2.074 2.597 ( -2.614 -2.240 0.000) 3.442 2.597 ( 2.614 -2.240 0.000) 3.442 2.657 ( -1.829 -3.026 0.000) 3.535 2.657 ( 1.829 -3.026 0.000) 3.535 2.669 ( -2.483 -2.069 0.000) 3.232 2.669 ( 2.483 -2.069 0.000) 3.232 2.699 ( -2.466 -0.190 0.000) 2.473 2.699 ( 2.466 -0.190 0.000) 2.473 2.708 ( -0.181 1.096 0.000) 1.111 2.708 ( 0.181 1.096 0.000) 1.111 2.723 ( -1.087 1.011 0.000) 1.484 2.723 ( 1.087 1.011 0.000) 1.484 2.768 ( -0.710 0.769 0.000) 1.047 2.768 ( 0.710 0.769 0.000) 1.047 2.801 ( -0.442 -0.529 0.000) 0.689 2.801 ( 0.442 -0.529 0.000) 0.689 2.823 ( -0.658 1.002 0.000) 1.199 2.823 ( 0.658 1.002 0.000) 1.199 2.861 ( -3.579 -0.269 0.000) 3.589 2.861 ( 3.579 -0.269 0.000) 3.589 2.876 ( -1.480 -0.130 0.000) 1.486 2.876 ( 1.480 -0.130 0.000) 1.486 2.914 ( -5.347 2.702 0.000) 5.991 2.914 ( 5.347 2.702 0.000) 5.991 3.042 ( -1.246 -5.100 0.000) 5.250 3.042 ( 1.246 -5.100 0.000) 5.250 3.188 ( -1.039 1.589 0.000) 1.899 3.188 ( 1.039 1.589 0.000) 1.899 3.249 ( -1.908 -0.444 0.000) 1.959 3.249 ( 1.908 -0.444 0.000) 1.959 3.336 ( -3.269 0.178 0.000) 3.273 3.336 ( 3.269 0.178 0.000) 3.273 3.461 ( -2.756 -5.019 0.000) 5.726 3.461 ( 2.756 -5.019 0.000) 5.726 3.528 ( -0.629 1.091 0.000) 1.259 3.528 ( 0.629 1.091 0.000) 1.259 3.556 ( -0.427 1.106 0.000) 1.186 3.556 ( 0.427 1.106 0.000) 1.186 3.605 ( -1.183 0.439 0.000) 1.262 3.605 ( 1.183 0.439 0.000) 1.262 3.644 ( -0.100 -0.502 0.000) 0.512 3.644 ( 0.100 -0.502 0.000) 0.512 3.671 ( -1.394 -1.193 0.000) 1.835 3.671 ( 1.394 -1.193 0.000) 1.835 3.784 ( -0.209 -4.679 0.000) 4.683 3.784 ( 0.209 -4.679 0.000) 4.683 3.861 ( -0.323 0.120 0.000) 0.344 3.861 ( 0.323 0.120 0.000) 0.344 3.884 ( -0.290 -1.221 0.000) 1.255 3.884 ( 0.290 -1.221 0.000) 1.255 4.273 ( -2.552 6.261 0.000) 6.761 4.273 ( 2.552 6.261 0.000) 6.761 4.390 ( -2.005 10.137 0.000) 10.333 4.390 ( 2.005 10.137 0.000) 10.333 4.589 ( -0.977 -1.575 0.000) 1.853 4.589 ( 0.977 -1.575 0.000) 1.853 4.838 ( -5.893 -4.795 0.000) 7.597 4.838 ( 5.893 -4.795 0.000) 7.597 5.541 ( -0.397 3.216 0.000) 3.241 5.541 ( 0.397 3.216 0.000) 3.241 5.708 ( -4.172 -3.508 0.000) 5.451 5.708 ( 4.172 -3.508 0.000) 5.451 7.907 ( -0.922 0.986 0.000) 1.350 7.907 ( 0.922 0.986 0.000) 1.350 7.987 ( -2.175 -2.654 0.000) 3.431 7.987 ( 2.175 -2.654 0.000) 3.431 8.232 ( -1.688 -0.185 0.000) 1.698 8.232 ( 1.688 -0.185 0.000) 1.698 8.243 ( -0.308 -0.384 0.000) 0.492 8.243 ( 0.308 -0.384 0.000) 0.492 8.712 ( -1.158 -0.902 0.000) 1.468 8.712 ( 1.158 -0.902 0.000) 1.468 8.726 ( -0.855 -0.787 0.000) 1.162 8.726 ( 0.855 -0.787 0.000) 1.162 8.809 ( -1.116 -0.062 0.000) 1.118 8.809 ( 1.116 -0.062 0.000) 1.118 8.818 ( -0.640 -0.524 0.000) 0.827 8.818 ( 0.640 -0.524 0.000) 0.827 9.023 ( -3.433 -0.300 0.000) 3.446 9.023 ( 3.433 -0.300 0.000) 3.446 9.059 ( -0.249 -1.253 0.000) 1.278 9.059 ( 0.249 -1.253 0.000) 1.278 9.373 ( -1.465 4.680 0.000) 4.904 9.373 ( 1.465 4.680 0.000) 4.904 9.454 ( -1.222 3.010 0.000) 3.249 9.454 ( 1.222 3.010 0.000) 3.249 9.728 ( -2.470 -0.730 0.000) 2.576 9.728 ( 2.470 -0.730 0.000) 2.576 9.852 ( -3.367 -4.922 0.000) 5.963 9.852 ( 3.367 -4.922 0.000) 5.963 10.311 ( -0.170 1.685 0.000) 1.694 10.311 ( 0.170 1.685 0.000) 1.694 10.373 ( -0.207 2.056 0.000) 2.066 10.373 ( 0.207 2.056 0.000) 2.066 10.380 ( -0.346 -1.197 0.000) 1.246 10.380 ( 0.346 -1.197 0.000) 1.246 10.444 ( -1.406 -0.601 0.000) 1.530 10.444 ( 1.406 -0.601 0.000) 1.530 11.287 ( -0.004 0.494 0.000) 0.494 11.287 ( 0.004 0.494 0.000) 0.494 11.310 ( -0.629 -0.422 0.000) 0.758 11.310 ( 0.629 -0.422 0.000) 0.758 13.543 ( -0.030 0.030 0.000) 0.042 13.543 ( 0.030 0.030 0.000) 0.042 13.544 ( -0.051 -0.020 0.000) 0.055 13.544 ( 0.051 -0.020 0.000) 0.055 ======================= Grid point 10 (7/27) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.504 ( 0.000 -11.438 0.000) 11.438 0.504 ( 0.000 11.438 0.000) 11.438 0.630 ( 0.000 -14.222 0.000) 14.222 0.630 ( 0.000 14.222 0.000) 14.222 0.695 ( 0.000 -1.554 0.000) 1.554 0.695 ( 0.000 1.554 0.000) 1.554 0.710 ( 0.000 -2.650 0.000) 2.650 0.710 ( 0.000 2.650 0.000) 2.650 0.804 ( 0.000 -2.721 0.000) 2.721 0.804 ( 0.000 2.721 0.000) 2.721 0.827 ( 0.000 -5.772 0.000) 5.772 0.827 ( 0.000 5.772 0.000) 5.772 0.856 ( 0.000 -1.269 0.000) 1.269 0.856 ( 0.000 1.269 0.000) 1.269 0.892 ( 0.000 -0.102 0.000) 0.102 0.892 ( 0.000 0.102 0.000) 0.102 0.910 ( 0.000 -0.649 0.000) 0.649 0.910 ( 0.000 0.649 0.000) 0.649 0.950 ( 0.000 -2.825 0.000) 2.825 0.950 ( 0.000 2.825 0.000) 2.825 0.995 ( 0.000 -3.069 0.000) 3.069 0.995 ( 0.000 3.069 0.000) 3.069 1.017 ( 0.000 -11.804 0.000) 11.804 1.017 ( 0.000 11.804 0.000) 11.804 1.074 ( 0.000 -1.793 0.000) 1.793 1.074 ( 0.000 1.793 0.000) 1.793 1.094 ( 0.000 -5.216 0.000) 5.216 1.094 ( 0.000 5.216 0.000) 5.216 1.126 ( 0.000 -1.426 0.000) 1.426 1.126 ( 0.000 1.426 0.000) 1.426 1.184 ( 0.000 -5.047 0.000) 5.047 1.184 ( 0.000 5.047 0.000) 5.047 1.195 ( 0.000 -1.162 0.000) 1.162 1.195 ( 0.000 1.162 0.000) 1.162 1.221 ( 0.000 -1.237 0.000) 1.237 1.221 ( 0.000 1.237 0.000) 1.237 1.254 ( 0.000 -0.075 0.000) 0.075 1.254 ( 0.000 0.075 0.000) 0.075 1.268 ( 0.000 -1.877 0.000) 1.877 1.268 ( 0.000 1.877 0.000) 1.877 1.286 ( 0.000 -1.559 0.000) 1.559 1.286 ( 0.000 1.559 0.000) 1.559 1.323 ( 0.000 -2.054 0.000) 2.054 1.323 ( 0.000 2.054 0.000) 2.054 1.467 ( 0.000 -1.715 0.000) 1.715 1.467 ( 0.000 1.715 0.000) 1.715 1.477 ( 0.000 -0.055 0.000) 0.055 1.477 ( 0.000 0.055 0.000) 0.055 1.508 ( 0.000 -0.810 0.000) 0.810 1.508 ( 0.000 0.810 0.000) 0.810 1.532 ( 0.000 -0.325 0.000) 0.325 1.532 ( 0.000 0.325 0.000) 0.325 1.545 ( 0.000 -1.708 0.000) 1.708 1.545 ( 0.000 1.708 0.000) 1.708 1.603 ( 0.000 -1.805 0.000) 1.805 1.603 ( 0.000 1.805 0.000) 1.805 1.618 ( 0.000 -0.828 0.000) 0.828 1.618 ( 0.000 0.828 0.000) 0.828 1.639 ( 0.000 -0.258 0.000) 0.258 1.639 ( 0.000 0.258 0.000) 0.258 1.659 ( 0.000 -2.282 0.000) 2.282 1.659 ( 0.000 2.282 0.000) 2.282 1.724 ( 0.000 -0.177 0.000) 0.177 1.724 ( 0.000 0.177 0.000) 0.177 1.732 ( 0.000 -0.661 0.000) 0.661 1.732 ( 0.000 0.661 0.000) 0.661 1.785 ( 0.000 -0.273 0.000) 0.273 1.785 ( 0.000 0.273 0.000) 0.273 1.787 ( 0.000 -0.953 0.000) 0.953 1.787 ( 0.000 0.953 0.000) 0.953 1.811 ( 0.000 -2.415 0.000) 2.415 1.811 ( 0.000 2.415 0.000) 2.415 1.845 ( 0.000 -0.399 0.000) 0.399 1.845 ( 0.000 0.399 0.000) 0.399 1.845 ( 0.000 -0.792 0.000) 0.792 1.845 ( 0.000 0.792 0.000) 0.792 1.881 ( 0.000 -0.085 0.000) 0.085 1.881 ( 0.000 0.085 0.000) 0.085 1.946 ( 0.000 -0.510 0.000) 0.510 1.946 ( 0.000 0.510 0.000) 0.510 1.961 ( 0.000 -1.879 0.000) 1.879 1.961 ( 0.000 1.879 0.000) 1.879 1.995 ( 0.000 -5.080 0.000) 5.080 1.995 ( 0.000 5.080 0.000) 5.080 2.026 ( 0.000 -0.889 0.000) 0.889 2.026 ( 0.000 0.889 0.000) 0.889 2.071 ( 0.000 -2.920 0.000) 2.920 2.071 ( 0.000 2.920 0.000) 2.920 2.095 ( 0.000 -2.586 0.000) 2.586 2.095 ( 0.000 2.586 0.000) 2.586 2.102 ( 0.000 -0.920 0.000) 0.920 2.102 ( 0.000 0.920 0.000) 0.920 2.181 ( 0.000 -1.700 0.000) 1.700 2.181 ( 0.000 1.700 0.000) 1.700 2.277 ( 0.000 -0.171 0.000) 0.171 2.277 ( 0.000 0.171 0.000) 0.171 2.297 ( 0.000 -2.549 0.000) 2.549 2.297 ( 0.000 2.549 0.000) 2.549 2.336 ( 0.000 -1.174 0.000) 1.174 2.336 ( 0.000 1.174 0.000) 1.174 2.350 ( 0.000 -0.492 0.000) 0.492 2.350 ( 0.000 0.492 0.000) 0.492 2.369 ( 0.000 -6.161 0.000) 6.161 2.369 ( 0.000 6.161 0.000) 6.161 2.401 ( 0.000 -1.940 0.000) 1.940 2.401 ( 0.000 1.940 0.000) 1.940 2.466 ( 0.000 -1.655 0.000) 1.655 2.466 ( 0.000 1.655 0.000) 1.655 2.533 ( 0.000 -0.316 0.000) 0.316 2.533 ( 0.000 0.316 0.000) 0.316 2.590 ( 0.000 -1.026 0.000) 1.026 2.590 ( 0.000 1.026 0.000) 1.026 2.591 ( 0.000 -6.038 0.000) 6.038 2.591 ( 0.000 6.038 0.000) 6.038 2.638 ( 0.000 -3.284 0.000) 3.284 2.638 ( 0.000 3.284 0.000) 3.284 2.638 ( 0.000 -3.361 0.000) 3.361 2.638 ( 0.000 3.361 0.000) 3.361 2.690 ( 0.000 -1.008 0.000) 1.008 2.690 ( 0.000 1.008 0.000) 1.008 2.728 ( 0.000 -1.061 0.000) 1.061 2.728 ( 0.000 1.061 0.000) 1.061 2.755 ( 0.000 -0.359 0.000) 0.359 2.755 ( 0.000 0.359 0.000) 0.359 2.779 ( 0.000 -1.445 0.000) 1.445 2.779 ( 0.000 1.445 0.000) 1.445 2.812 ( 0.000 -0.671 0.000) 0.671 2.812 ( 0.000 0.671 0.000) 0.671 2.857 ( 0.000 -1.900 0.000) 1.900 2.857 ( 0.000 1.900 0.000) 1.900 2.869 ( 0.000 -0.675 0.000) 0.675 2.869 ( 0.000 0.675 0.000) 0.675 3.024 ( 0.000 -1.788 0.000) 1.788 3.024 ( 0.000 1.788 0.000) 1.788 3.068 ( 0.000 -0.330 0.000) 0.330 3.068 ( 0.000 0.330 0.000) 0.330 3.170 ( 0.000 -0.393 0.000) 0.393 3.170 ( 0.000 0.393 0.000) 0.393 3.269 ( 0.000 -4.278 0.000) 4.278 3.269 ( 0.000 4.278 0.000) 4.278 3.292 ( 0.000 -0.057 0.000) 0.057 3.292 ( 0.000 0.057 0.000) 0.057 3.476 ( 0.000 -1.246 0.000) 1.246 3.476 ( 0.000 1.246 0.000) 1.246 3.538 ( 0.000 -0.280 0.000) 0.280 3.538 ( 0.000 0.280 0.000) 0.280 3.543 ( 0.000 -1.659 0.000) 1.659 3.543 ( 0.000 1.659 0.000) 1.659 3.619 ( 0.000 -1.415 0.000) 1.415 3.619 ( 0.000 1.415 0.000) 1.415 3.718 ( 0.000 -1.721 0.000) 1.721 3.718 ( 0.000 1.721 0.000) 1.721 3.725 ( 0.000 -0.366 0.000) 0.366 3.725 ( 0.000 0.366 0.000) 0.366 3.744 ( 0.000 -1.637 0.000) 1.637 3.744 ( 0.000 1.637 0.000) 1.637 3.844 ( 0.000 -0.009 0.000) 0.009 3.844 ( 0.000 0.009 0.000) 0.009 3.860 ( 0.000 -0.688 0.000) 0.688 3.860 ( 0.000 0.688 0.000) 0.688 4.288 ( 0.000 -4.969 0.000) 4.969 4.288 ( 0.000 4.969 0.000) 4.969 4.381 ( 0.000 -4.345 0.000) 4.345 4.381 ( 0.000 4.345 0.000) 4.345 4.639 ( 0.000 -5.769 0.000) 5.769 4.639 ( 0.000 5.769 0.000) 5.769 4.813 ( 0.000 -11.518 0.000) 11.518 4.813 ( 0.000 11.518 0.000) 11.518 5.556 ( 0.000 -2.043 0.000) 2.043 5.556 ( 0.000 2.043 0.000) 2.043 5.680 ( 0.000 -7.198 0.000) 7.198 5.680 ( 0.000 7.198 0.000) 7.198 7.888 ( 0.000 -1.270 0.000) 1.270 7.888 ( 0.000 1.270 0.000) 1.270 7.908 ( 0.000 -0.290 0.000) 0.290 7.908 ( 0.000 0.290 0.000) 0.290 8.244 ( 0.000 -1.145 0.000) 1.145 8.244 ( 0.000 1.145 0.000) 1.145 8.278 ( 0.000 -0.858 0.000) 0.858 8.278 ( 0.000 0.858 0.000) 0.858 8.681 ( 0.000 -0.879 0.000) 0.879 8.681 ( 0.000 0.879 0.000) 0.879 8.718 ( 0.000 -0.745 0.000) 0.745 8.718 ( 0.000 0.745 0.000) 0.745 8.782 ( 0.000 -0.875 0.000) 0.875 8.782 ( 0.000 0.875 0.000) 0.875 8.837 ( 0.000 -0.595 0.000) 0.595 8.837 ( 0.000 0.595 0.000) 0.595 8.938 ( 0.000 -4.532 0.000) 4.532 8.938 ( 0.000 4.532 0.000) 4.532 9.036 ( 0.000 -2.275 0.000) 2.275 9.036 ( 0.000 2.275 0.000) 2.275 9.447 ( 0.000 -4.357 0.000) 4.357 9.447 ( 0.000 4.357 0.000) 4.357 9.484 ( 0.000 -0.867 0.000) 0.867 9.484 ( 0.000 0.867 0.000) 0.867 9.730 ( 0.000 -1.369 0.000) 1.369 9.730 ( 0.000 1.369 0.000) 1.369 9.744 ( 0.000 -6.658 0.000) 6.658 9.744 ( 0.000 6.658 0.000) 6.658 10.348 ( 0.000 -0.982 0.000) 0.982 10.348 ( 0.000 0.982 0.000) 0.982 10.351 ( 0.000 -2.471 0.000) 2.471 10.351 ( 0.000 2.471 0.000) 2.471 10.405 ( 0.000 -0.837 0.000) 0.837 10.405 ( 0.000 0.837 0.000) 0.837 10.481 ( 0.000 -4.949 0.000) 4.949 10.481 ( 0.000 4.949 0.000) 4.949 11.292 ( 0.000 -0.231 0.000) 0.231 11.292 ( 0.000 0.231 0.000) 0.231 11.306 ( 0.000 -1.118 0.000) 1.118 11.306 ( 0.000 1.118 0.000) 1.118 13.544 ( 0.000 -0.043 0.000) 0.043 13.544 ( 0.000 0.043 0.000) 0.043 13.546 ( 0.000 -0.075 0.000) 0.075 13.546 ( 0.000 0.075 0.000) 0.075 ======================= Grid point 12 (8/27) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 5.081 -8.261 0.000) 9.699 0.568 ( 5.081 8.261 0.000) 9.699 0.612 ( 0.181 -11.652 0.000) 11.654 0.612 ( 0.181 11.652 0.000) 11.654 0.689 ( 0.073 -2.851 0.000) 2.852 0.689 ( 0.073 2.851 0.000) 2.852 0.701 ( -0.173 -3.646 0.000) 3.650 0.701 ( -0.173 3.646 0.000) 3.650 0.801 ( -0.927 -3.304 0.000) 3.432 0.801 ( -0.927 3.304 0.000) 3.432 0.806 ( -0.401 -2.822 0.000) 2.851 0.806 ( -0.401 2.822 0.000) 2.851 0.882 ( 0.137 -2.093 0.000) 2.098 0.882 ( 0.137 2.093 0.000) 2.098 0.892 ( 1.258 -1.643 0.000) 2.069 0.892 ( 1.258 1.643 0.000) 2.069 0.928 ( 0.845 -1.337 0.000) 1.582 0.928 ( 0.845 1.337 0.000) 1.582 0.967 ( 0.041 -2.570 0.000) 2.570 0.967 ( 0.041 2.570 0.000) 2.570 1.024 ( -0.349 -2.227 0.000) 2.254 1.024 ( -0.349 2.227 0.000) 2.254 1.031 ( -1.901 -1.621 0.000) 2.498 1.031 ( -1.901 1.621 0.000) 2.498 1.072 ( -0.759 -1.535 0.000) 1.713 1.072 ( -0.759 1.535 0.000) 1.713 1.121 ( 1.489 -5.040 0.000) 5.255 1.121 ( 1.489 5.040 0.000) 5.255 1.143 ( 0.568 -1.063 0.000) 1.205 1.143 ( 0.568 1.063 0.000) 1.205 1.172 ( 1.050 -2.062 0.000) 2.314 1.172 ( 1.050 2.062 0.000) 2.314 1.194 ( 2.833 -4.182 0.000) 5.051 1.194 ( 2.833 4.182 0.000) 5.051 1.218 ( 2.028 -6.927 0.000) 7.218 1.218 ( 2.028 6.927 0.000) 7.218 1.256 ( 0.285 -3.083 0.000) 3.096 1.256 ( 0.285 3.083 0.000) 3.096 1.268 ( 1.660 -1.971 0.000) 2.577 1.268 ( 1.660 1.971 0.000) 2.577 1.301 ( 1.943 -0.501 0.000) 2.007 1.301 ( 1.943 0.501 0.000) 2.007 1.340 ( -0.282 -1.242 0.000) 1.274 1.340 ( -0.282 1.242 0.000) 1.274 1.446 ( -1.600 -1.103 0.000) 1.943 1.446 ( -1.600 1.103 0.000) 1.943 1.474 ( -0.122 -0.881 0.000) 0.889 1.474 ( -0.122 0.881 0.000) 0.889 1.483 ( -1.776 -3.405 0.000) 3.840 1.483 ( -1.776 3.405 0.000) 3.840 1.560 ( 1.466 -2.577 0.000) 2.964 1.560 ( 1.466 2.577 0.000) 2.964 1.563 ( 2.258 -0.835 0.000) 2.408 1.563 ( 2.258 0.835 0.000) 2.408 1.605 ( -0.064 -0.845 0.000) 0.847 1.605 ( -0.064 0.845 0.000) 0.847 1.618 ( 0.072 -0.216 0.000) 0.228 1.618 ( 0.072 0.216 0.000) 0.228 1.629 ( -0.497 -1.003 0.000) 1.120 1.629 ( -0.497 1.003 0.000) 1.120 1.678 ( -3.939 -1.787 0.000) 4.325 1.678 ( -3.939 1.787 0.000) 4.325 1.679 ( 0.358 -0.743 0.000) 0.824 1.679 ( 0.358 0.743 0.000) 0.824 1.737 ( -0.238 -0.800 0.000) 0.835 1.737 ( -0.238 0.800 0.000) 0.835 1.759 ( -2.742 -0.482 0.000) 2.784 1.759 ( -2.742 0.482 0.000) 2.784 1.775 ( 1.287 -2.995 0.000) 3.260 1.775 ( 1.287 2.995 0.000) 3.260 1.826 ( 0.199 -1.096 0.000) 1.114 1.826 ( 0.199 1.096 0.000) 1.114 1.844 ( -0.178 -1.763 0.000) 1.772 1.844 ( -0.178 1.763 0.000) 1.772 1.849 ( 0.444 -2.600 0.000) 2.638 1.849 ( 0.444 2.600 0.000) 2.638 1.881 ( -1.477 -0.746 0.000) 1.655 1.881 ( -1.477 0.746 0.000) 1.655 1.935 ( 1.222 -2.279 0.000) 2.586 1.935 ( 1.222 2.279 0.000) 2.586 1.948 ( -0.614 -0.623 0.000) 0.875 1.948 ( -0.614 0.623 0.000) 0.875 1.962 ( -3.218 -3.348 0.000) 4.644 1.962 ( -3.218 3.348 0.000) 4.644 2.041 ( 0.986 -0.964 0.000) 1.379 2.041 ( 0.986 0.964 0.000) 1.379 2.065 ( -0.066 -0.742 0.000) 0.745 2.065 ( -0.066 0.742 0.000) 0.745 2.118 ( 0.827 -1.882 0.000) 2.055 2.118 ( 0.827 1.882 0.000) 2.055 2.135 ( 1.424 -1.981 0.000) 2.440 2.135 ( 1.424 1.981 0.000) 2.440 2.197 ( 2.031 -0.845 0.000) 2.200 2.197 ( 2.031 0.845 0.000) 2.200 2.281 ( -0.364 -0.567 0.000) 0.673 2.281 ( -0.364 0.567 0.000) 0.673 2.305 ( -1.252 -1.754 0.000) 2.154 2.305 ( -1.252 1.754 0.000) 2.154 2.319 ( 1.443 -2.752 0.000) 3.108 2.319 ( 1.443 2.752 0.000) 3.108 2.372 ( -1.551 -1.209 0.000) 1.966 2.372 ( -1.551 1.209 0.000) 1.966 2.372 ( 1.620 -1.688 0.000) 2.340 2.372 ( 1.620 1.688 0.000) 2.340 2.395 ( 2.205 -4.154 0.000) 4.703 2.395 ( 2.205 4.154 0.000) 4.703 2.470 ( 0.048 -0.945 0.000) 0.947 2.470 ( 0.048 0.945 0.000) 0.947 2.512 ( -0.922 -1.310 0.000) 1.602 2.512 ( -0.922 1.310 0.000) 1.602 2.570 ( -1.848 -5.209 0.000) 5.527 2.570 ( -1.848 5.209 0.000) 5.527 2.629 ( -1.108 -1.820 0.000) 2.131 2.629 ( -1.108 1.820 0.000) 2.131 2.646 ( 0.492 -3.100 0.000) 3.139 2.646 ( 0.492 3.100 0.000) 3.139 2.666 ( 5.063 -1.330 0.000) 5.235 2.666 ( 5.063 1.330 0.000) 5.235 2.687 ( 0.611 -1.550 0.000) 1.666 2.687 ( 0.611 1.550 0.000) 1.666 2.758 ( -1.518 -0.344 0.000) 1.556 2.758 ( -1.518 0.344 0.000) 1.556 2.766 ( 2.165 -1.798 0.000) 2.814 2.766 ( 2.165 1.798 0.000) 2.814 2.777 ( 1.359 -3.830 0.000) 4.064 2.777 ( 1.359 3.830 0.000) 4.064 2.812 ( 0.312 -1.640 0.000) 1.669 2.812 ( 0.312 1.640 0.000) 1.669 2.854 ( -1.373 -0.907 0.000) 1.645 2.854 ( -1.373 0.907 0.000) 1.645 2.864 ( 1.552 -1.819 0.000) 2.391 2.864 ( 1.552 1.819 0.000) 2.391 2.985 ( -3.447 -1.795 0.000) 3.886 2.985 ( -3.447 1.795 0.000) 3.886 3.039 ( -2.731 -1.128 0.000) 2.955 3.039 ( -2.731 1.128 0.000) 2.955 3.189 ( 1.540 -0.912 0.000) 1.790 3.189 ( 1.540 0.912 0.000) 1.790 3.255 ( -1.376 -2.815 0.000) 3.134 3.255 ( -1.376 2.815 0.000) 3.134 3.311 ( 1.890 -2.113 0.000) 2.835 3.311 ( 1.890 2.113 0.000) 2.835 3.440 ( -3.309 -2.468 0.000) 4.128 3.440 ( -3.309 2.468 0.000) 4.128 3.543 ( 0.125 -1.550 0.000) 1.555 3.543 ( 0.125 1.550 0.000) 1.555 3.550 ( 0.860 -0.618 0.000) 1.059 3.550 ( 0.860 0.618 0.000) 1.059 3.612 ( -0.378 -1.229 0.000) 1.286 3.612 ( -0.378 1.229 0.000) 1.286 3.686 ( -2.676 -1.214 0.000) 2.938 3.686 ( -2.676 1.214 0.000) 2.938 3.704 ( -1.192 -2.527 0.000) 2.795 3.704 ( -1.192 2.527 0.000) 2.795 3.722 ( -1.580 -2.801 0.000) 3.216 3.722 ( -1.580 2.801 0.000) 3.216 3.856 ( 0.754 -0.664 0.000) 1.005 3.856 ( 0.754 0.664 0.000) 1.005 3.866 ( 0.305 -0.454 0.000) 0.547 3.866 ( 0.305 0.454 0.000) 0.547 4.330 ( 3.655 -5.529 0.000) 6.628 4.330 ( 3.655 5.529 0.000) 6.628 4.411 ( 1.767 -5.677 0.000) 5.946 4.411 ( 1.767 5.677 0.000) 5.946 4.641 ( 0.892 -7.335 0.000) 7.389 4.641 ( 0.892 7.335 0.000) 7.389 4.778 ( -3.267 -11.012 0.000) 11.487 4.778 ( -3.267 11.012 0.000) 11.487 5.576 ( 1.888 -2.803 0.000) 3.380 5.576 ( 1.888 2.803 0.000) 3.380 5.664 ( -1.505 -6.594 0.000) 6.763 5.664 ( -1.505 6.594 0.000) 6.763 7.916 ( 1.924 -2.752 0.000) 3.358 7.916 ( 1.924 2.752 0.000) 3.358 7.922 ( 1.128 -0.756 0.000) 1.358 7.922 ( 1.128 0.756 0.000) 1.358 8.237 ( -0.579 -1.215 0.000) 1.346 8.237 ( -0.579 1.215 0.000) 1.346 8.258 ( -1.591 -0.650 0.000) 1.719 8.258 ( -1.591 0.650 0.000) 1.719 8.692 ( 0.891 -0.789 0.000) 1.190 8.692 ( 0.891 0.789 0.000) 1.190 8.718 ( -0.114 -0.549 0.000) 0.560 8.718 ( -0.114 0.549 0.000) 0.560 8.791 ( 0.826 -0.625 0.000) 1.036 8.791 ( 0.826 0.625 0.000) 1.036 8.828 ( -0.745 -0.271 0.000) 0.793 8.828 ( -0.745 0.271 0.000) 0.793 8.974 ( 3.054 -3.141 0.000) 4.381 8.974 ( 3.054 3.141 0.000) 4.381 9.046 ( 0.404 -1.048 0.000) 1.123 9.046 ( 0.404 1.048 0.000) 1.123 9.452 ( 0.384 -3.982 0.000) 4.001 9.452 ( 0.384 3.982 0.000) 4.001 9.476 ( -0.704 -1.708 0.000) 1.847 9.476 ( -0.704 1.708 0.000) 1.847 9.739 ( 0.832 -1.268 0.000) 1.517 9.739 ( 0.832 1.268 0.000) 1.517 9.752 ( 0.528 -6.375 0.000) 6.396 9.752 ( 0.528 6.375 0.000) 6.396 10.348 ( 0.028 -1.472 0.000) 1.472 10.348 ( 0.028 1.472 0.000) 1.472 10.350 ( -0.078 -2.275 0.000) 2.277 10.350 ( -0.078 2.275 0.000) 2.277 10.405 ( 0.127 -1.238 0.000) 1.244 10.405 ( 0.127 1.238 0.000) 1.244 10.452 ( -2.222 -3.554 0.000) 4.192 10.452 ( -2.222 3.554 0.000) 4.192 11.294 ( 0.190 -0.335 0.000) 0.385 11.294 ( 0.190 0.335 0.000) 0.385 11.304 ( -0.197 -0.975 0.000) 0.995 11.304 ( -0.197 0.975 0.000) 0.995 13.544 ( -0.009 -0.035 0.000) 0.036 13.544 ( -0.009 0.035 0.000) 0.036 13.545 ( -0.065 -0.057 0.000) 0.086 13.545 ( -0.065 0.057 0.000) 0.086 ======================= Grid point 14 (9/27) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -0.223 -3.866 0.000) 3.872 0.624 ( 0.223 -3.866 0.000) 3.872 0.624 ( -0.223 3.866 0.000) 3.872 0.624 ( 0.223 3.866 0.000) 3.872 0.719 ( -0.040 -3.971 0.000) 3.971 0.719 ( 0.040 -3.971 0.000) 3.971 0.719 ( -0.040 3.971 0.000) 3.971 0.719 ( 0.040 3.971 0.000) 3.971 0.786 ( -1.353 -3.154 0.000) 3.432 0.786 ( 1.353 -3.154 0.000) 3.432 0.786 ( -1.353 3.154 0.000) 3.432 0.786 ( 1.353 3.154 0.000) 3.432 0.888 ( -1.960 -0.414 0.000) 2.003 0.888 ( -1.960 0.414 0.000) 2.003 0.888 ( 1.960 -0.414 0.000) 2.003 0.888 ( 1.960 0.414 0.000) 2.003 0.945 ( -1.451 -1.757 0.000) 2.278 0.945 ( 1.451 -1.757 0.000) 2.278 0.945 ( -1.451 1.757 0.000) 2.278 0.945 ( 1.451 1.757 0.000) 2.278 1.005 ( -0.480 -0.738 0.000) 0.881 1.005 ( 0.480 -0.738 0.000) 0.881 1.005 ( -0.480 0.738 0.000) 0.881 1.005 ( 0.480 0.738 0.000) 0.881 1.078 ( -1.758 -3.037 0.000) 3.509 1.078 ( 1.758 -3.037 0.000) 3.509 1.078 ( -1.758 3.037 0.000) 3.509 1.078 ( 1.758 3.037 0.000) 3.509 1.166 ( -1.144 -2.495 0.000) 2.745 1.166 ( 1.144 -2.495 0.000) 2.745 1.166 ( -1.144 2.495 0.000) 2.745 1.166 ( 1.144 2.495 0.000) 2.745 1.248 ( -0.577 -2.763 0.000) 2.823 1.248 ( 0.577 -2.763 0.000) 2.823 1.248 ( -0.577 2.763 0.000) 2.823 1.248 ( 0.577 2.763 0.000) 2.823 1.287 ( -3.353 -0.677 0.000) 3.421 1.287 ( -3.353 0.677 0.000) 3.421 1.287 ( 3.353 -0.677 0.000) 3.421 1.287 ( 3.353 0.677 0.000) 3.421 1.351 ( -1.435 -0.443 0.000) 1.502 1.351 ( -1.435 0.443 0.000) 1.502 1.351 ( 1.435 -0.443 0.000) 1.502 1.351 ( 1.435 0.443 0.000) 1.502 1.457 ( -2.087 -2.237 0.000) 3.059 1.457 ( 2.087 -2.237 0.000) 3.059 1.457 ( -2.087 2.237 0.000) 3.059 1.457 ( 2.087 2.237 0.000) 3.059 1.506 ( -6.999 -4.477 0.000) 8.308 1.506 ( 6.999 -4.477 0.000) 8.308 1.506 ( -6.999 4.477 0.000) 8.308 1.506 ( 6.999 4.477 0.000) 8.308 1.591 ( -0.913 -1.577 0.000) 1.823 1.591 ( 0.913 -1.577 0.000) 1.823 1.591 ( -0.913 1.577 0.000) 1.823 1.591 ( 0.913 1.577 0.000) 1.823 1.615 ( -1.186 -0.966 0.000) 1.530 1.615 ( 1.186 -0.966 0.000) 1.530 1.615 ( -1.186 0.966 0.000) 1.530 1.615 ( 1.186 0.966 0.000) 1.530 1.667 ( -1.672 -0.530 0.000) 1.754 1.667 ( -1.672 0.530 0.000) 1.754 1.667 ( 1.672 -0.530 0.000) 1.754 1.667 ( 1.672 0.530 0.000) 1.754 1.717 ( -0.056 -1.733 0.000) 1.734 1.717 ( 0.056 -1.733 0.000) 1.734 1.717 ( -0.056 1.733 0.000) 1.734 1.717 ( 0.056 1.733 0.000) 1.734 1.809 ( -1.187 -2.258 0.000) 2.551 1.809 ( 1.187 -2.258 0.000) 2.551 1.809 ( -1.187 2.258 0.000) 2.551 1.809 ( 1.187 2.258 0.000) 2.551 1.858 ( -0.471 -1.281 0.000) 1.365 1.858 ( 0.471 -1.281 0.000) 1.365 1.858 ( -0.471 1.281 0.000) 1.365 1.858 ( 0.471 1.281 0.000) 1.365 1.889 ( -3.009 -0.881 0.000) 3.135 1.889 ( -3.009 0.881 0.000) 3.135 1.889 ( 3.009 -0.881 0.000) 3.135 1.889 ( 3.009 0.881 0.000) 3.135 1.945 ( -0.087 -2.312 0.000) 2.314 1.945 ( 0.087 -2.312 0.000) 2.314 1.945 ( -0.087 2.312 0.000) 2.314 1.945 ( 0.087 2.312 0.000) 2.314 2.062 ( -0.599 -1.028 0.000) 1.190 2.062 ( 0.599 -1.028 0.000) 1.190 2.062 ( -0.599 1.028 0.000) 1.190 2.062 ( 0.599 1.028 0.000) 1.190 2.131 ( -0.667 -2.203 0.000) 2.302 2.131 ( 0.667 -2.203 0.000) 2.302 2.131 ( -0.667 2.203 0.000) 2.302 2.131 ( 0.667 2.203 0.000) 2.302 2.249 ( -2.369 -2.264 0.000) 3.277 2.249 ( 2.369 -2.264 0.000) 3.277 2.249 ( -2.369 2.264 0.000) 3.277 2.249 ( 2.369 2.264 0.000) 3.277 2.307 ( -1.190 -1.577 0.000) 1.976 2.307 ( 1.190 -1.577 0.000) 1.976 2.307 ( -1.190 1.577 0.000) 1.976 2.307 ( 1.190 1.577 0.000) 1.976 2.385 ( -0.991 -2.588 0.000) 2.772 2.385 ( 0.991 -2.588 0.000) 2.772 2.385 ( -0.991 2.588 0.000) 2.772 2.385 ( 0.991 2.588 0.000) 2.772 2.448 ( -2.450 -4.757 0.000) 5.351 2.448 ( 2.450 -4.757 0.000) 5.351 2.448 ( -2.450 4.757 0.000) 5.351 2.448 ( 2.450 4.757 0.000) 5.351 2.524 ( -2.154 -3.481 0.000) 4.093 2.524 ( 2.154 -3.481 0.000) 4.093 2.524 ( -2.154 3.481 0.000) 4.093 2.524 ( 2.154 3.481 0.000) 4.093 2.628 ( -1.219 -1.284 0.000) 1.771 2.628 ( 1.219 -1.284 0.000) 1.771 2.628 ( -1.219 1.284 0.000) 1.771 2.628 ( 1.219 1.284 0.000) 1.771 2.708 ( -1.288 -0.505 0.000) 1.383 2.708 ( -1.288 0.505 0.000) 1.383 2.708 ( 1.288 -0.505 0.000) 1.383 2.708 ( 1.288 0.505 0.000) 1.383 2.764 ( -1.636 -2.083 0.000) 2.648 2.764 ( 1.636 -2.083 0.000) 2.648 2.764 ( -1.636 2.083 0.000) 2.648 2.764 ( 1.636 2.083 0.000) 2.648 2.815 ( -1.775 -1.920 0.000) 2.615 2.815 ( 1.775 -1.920 0.000) 2.615 2.815 ( -1.775 1.920 0.000) 2.615 2.815 ( 1.775 1.920 0.000) 2.615 2.861 ( -3.658 -0.919 0.000) 3.771 2.861 ( -3.658 0.919 0.000) 3.771 2.861 ( 3.658 -0.919 0.000) 3.771 2.861 ( 3.658 0.919 0.000) 3.771 2.969 ( -3.482 -2.735 0.000) 4.428 2.969 ( 3.482 -2.735 0.000) 4.428 2.969 ( -3.482 2.735 0.000) 4.428 2.969 ( 3.482 2.735 0.000) 4.428 3.223 ( -1.736 -2.034 0.000) 2.675 3.223 ( 1.736 -2.034 0.000) 2.675 3.223 ( -1.736 2.034 0.000) 2.675 3.223 ( 1.736 2.034 0.000) 2.675 3.366 ( -3.540 -3.301 0.000) 4.840 3.366 ( 3.540 -3.301 0.000) 4.840 3.366 ( -3.540 3.301 0.000) 4.840 3.366 ( 3.540 3.301 0.000) 4.840 3.552 ( -0.617 -1.137 0.000) 1.294 3.552 ( 0.617 -1.137 0.000) 1.294 3.552 ( -0.617 1.137 0.000) 1.294 3.552 ( 0.617 1.137 0.000) 1.294 3.631 ( -2.374 -1.755 0.000) 2.952 3.631 ( 2.374 -1.755 0.000) 2.952 3.631 ( -2.374 1.755 0.000) 2.952 3.631 ( 2.374 1.755 0.000) 2.952 3.698 ( -0.598 -3.837 0.000) 3.883 3.698 ( 0.598 -3.837 0.000) 3.883 3.698 ( -0.598 3.837 0.000) 3.883 3.698 ( 0.598 3.837 0.000) 3.883 3.867 ( -0.295 -0.522 0.000) 0.600 3.867 ( 0.295 -0.522 0.000) 0.600 3.867 ( -0.295 0.522 0.000) 0.600 3.867 ( 0.295 0.522 0.000) 0.600 4.403 ( -2.724 -6.090 0.000) 6.671 4.403 ( 2.724 -6.090 0.000) 6.671 4.403 ( -2.724 6.090 0.000) 6.671 4.403 ( 2.724 6.090 0.000) 6.671 4.697 ( -4.249 -9.414 0.000) 10.329 4.697 ( 4.249 -9.414 0.000) 10.329 4.697 ( -4.249 9.414 0.000) 10.329 4.697 ( 4.249 9.414 0.000) 10.329 5.623 ( -2.483 -4.801 0.000) 5.405 5.623 ( 2.483 -4.801 0.000) 5.405 5.623 ( -2.483 4.801 0.000) 5.405 5.623 ( 2.483 4.801 0.000) 5.405 7.938 ( -0.019 -2.166 0.000) 2.166 7.938 ( 0.019 -2.166 0.000) 2.166 7.938 ( -0.019 2.166 0.000) 2.166 7.938 ( 0.019 2.166 0.000) 2.166 8.234 ( -0.557 -0.392 0.000) 0.681 8.234 ( 0.557 -0.392 0.000) 0.681 8.234 ( -0.557 0.392 0.000) 0.681 8.234 ( 0.557 0.392 0.000) 0.681 8.709 ( -0.751 -0.631 0.000) 0.981 8.709 ( 0.751 -0.631 0.000) 0.981 8.709 ( -0.751 0.631 0.000) 0.981 8.709 ( 0.751 0.631 0.000) 0.981 8.810 ( -0.982 -0.225 0.000) 1.008 8.810 ( -0.982 0.225 0.000) 1.008 8.810 ( 0.982 -0.225 0.000) 1.008 8.810 ( 0.982 0.225 0.000) 1.008 9.031 ( -2.055 -1.137 0.000) 2.349 9.031 ( 2.055 -1.137 0.000) 2.349 9.031 ( -2.055 1.137 0.000) 2.349 9.031 ( 2.055 1.137 0.000) 2.349 9.461 ( -0.599 -2.942 0.000) 3.002 9.461 ( 0.599 -2.942 0.000) 3.002 9.461 ( -0.599 2.942 0.000) 3.002 9.461 ( 0.599 2.942 0.000) 3.002 9.754 ( -0.405 -3.992 0.000) 4.012 9.754 ( 0.405 -3.992 0.000) 4.012 9.754 ( -0.405 3.992 0.000) 4.012 9.754 ( 0.405 3.992 0.000) 4.012 10.349 ( -0.039 -1.981 0.000) 1.982 10.349 ( 0.039 -1.981 0.000) 1.982 10.349 ( -0.039 1.981 0.000) 1.982 10.349 ( 0.039 1.981 0.000) 1.982 10.416 ( -1.141 -2.123 0.000) 2.410 10.416 ( 1.141 -2.123 0.000) 2.410 10.416 ( -1.141 2.123 0.000) 2.410 10.416 ( 1.141 2.123 0.000) 2.410 11.299 ( -0.276 -0.641 0.000) 0.698 11.299 ( 0.276 -0.641 0.000) 0.698 11.299 ( -0.276 0.641 0.000) 0.698 11.299 ( 0.276 0.641 0.000) 0.698 13.544 ( -0.042 -0.034 0.000) 0.054 13.544 ( 0.042 -0.034 0.000) 0.054 13.544 ( -0.042 0.034 0.000) 0.054 13.544 ( 0.042 0.034 0.000) 0.054 ======================= Grid point 25 (10/27) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.288 ( 0.000 0.000 14.171) 14.171 0.305 ( 0.000 0.000 14.898) 14.898 0.589 ( 0.000 0.000 27.111) 27.111 0.606 ( 0.000 0.000 -1.763) 1.763 0.724 ( 0.000 0.000 -4.882) 4.882 0.730 ( 0.000 0.000 -3.473) 3.473 0.738 ( 0.000 0.000 -0.101) 0.101 0.740 ( 0.000 0.000 -0.961) 0.961 0.753 ( 0.000 0.000 -1.452) 1.452 0.781 ( 0.000 0.000 -5.830) 5.830 0.787 ( 0.000 0.000 0.033) 0.033 0.787 ( 0.000 0.000 -0.519) 0.519 0.812 ( 0.000 0.000 -3.904) 3.904 0.816 ( 0.000 0.000 -1.352) 1.352 0.894 ( 0.000 0.000 -2.121) 2.121 0.927 ( 0.000 0.000 -2.901) 2.901 0.943 ( 0.000 0.000 2.150) 2.150 0.950 ( 0.000 0.000 1.436) 1.436 0.956 ( 0.000 0.000 -0.065) 0.065 0.962 ( 0.000 0.000 -1.296) 1.296 0.981 ( 0.000 0.000 1.758) 1.758 1.006 ( 0.000 0.000 0.525) 0.525 1.014 ( 0.000 0.000 0.475) 0.475 1.067 ( 0.000 0.000 4.133) 4.133 1.069 ( 0.000 0.000 -0.469) 0.469 1.069 ( 0.000 0.000 0.591) 0.591 1.070 ( 0.000 0.000 5.534) 5.534 1.096 ( 0.000 0.000 -2.069) 2.069 1.145 ( 0.000 0.000 -2.886) 2.886 1.167 ( 0.000 0.000 -2.554) 2.554 1.167 ( 0.000 0.000 2.134) 2.134 1.196 ( 0.000 0.000 2.354) 2.354 1.198 ( 0.000 0.000 0.729) 0.729 1.200 ( 0.000 0.000 0.788) 0.788 1.225 ( 0.000 0.000 1.622) 1.622 1.250 ( 0.000 0.000 -0.381) 0.381 1.279 ( 0.000 0.000 -1.139) 1.139 1.294 ( 0.000 0.000 0.232) 0.232 1.304 ( 0.000 0.000 -2.098) 2.098 1.324 ( 0.000 0.000 0.252) 0.252 1.350 ( 0.000 0.000 0.906) 0.906 1.358 ( 0.000 0.000 -3.890) 3.890 1.369 ( 0.000 0.000 -3.430) 3.430 1.385 ( 0.000 0.000 -0.370) 0.370 1.397 ( 0.000 0.000 2.858) 2.858 1.404 ( 0.000 0.000 -2.343) 2.343 1.423 ( 0.000 0.000 -3.510) 3.510 1.448 ( 0.000 0.000 -2.560) 2.560 1.487 ( 0.000 0.000 -2.276) 2.276 1.495 ( 0.000 0.000 -2.636) 2.636 1.507 ( 0.000 0.000 -2.368) 2.368 1.524 ( 0.000 0.000 -0.867) 0.867 1.554 ( 0.000 0.000 -0.515) 0.515 1.566 ( 0.000 0.000 -1.693) 1.693 1.571 ( 0.000 0.000 2.417) 2.417 1.588 ( 0.000 0.000 2.593) 2.593 1.597 ( 0.000 0.000 1.629) 1.629 1.598 ( 0.000 0.000 3.092) 3.092 1.635 ( 0.000 0.000 -0.555) 0.555 1.649 ( 0.000 0.000 0.458) 0.458 1.681 ( 0.000 0.000 -2.234) 2.234 1.695 ( 0.000 0.000 -0.484) 0.484 1.695 ( 0.000 0.000 0.438) 0.438 1.704 ( 0.000 0.000 1.222) 1.222 1.738 ( 0.000 0.000 0.003) 0.003 1.744 ( 0.000 0.000 -1.729) 1.729 1.759 ( 0.000 0.000 -2.151) 2.151 1.783 ( 0.000 0.000 2.018) 2.018 1.799 ( 0.000 0.000 -2.775) 2.775 1.803 ( 0.000 0.000 2.559) 2.559 1.804 ( 0.000 0.000 0.640) 0.640 1.825 ( 0.000 0.000 0.368) 0.368 1.828 ( 0.000 0.000 0.983) 0.983 1.832 ( 0.000 0.000 1.692) 1.692 1.832 ( 0.000 0.000 0.309) 0.309 1.880 ( 0.000 0.000 0.758) 0.758 1.884 ( 0.000 0.000 0.383) 0.383 1.885 ( 0.000 0.000 0.759) 0.759 1.894 ( 0.000 0.000 1.233) 1.233 1.937 ( 0.000 0.000 -0.095) 0.095 1.943 ( 0.000 0.000 -0.383) 0.383 1.946 ( 0.000 0.000 -2.614) 2.614 1.998 ( 0.000 0.000 -1.057) 1.057 2.021 ( 0.000 0.000 1.855) 1.855 2.040 ( 0.000 0.000 2.356) 2.356 2.044 ( 0.000 0.000 0.662) 0.662 2.053 ( 0.000 0.000 -0.414) 0.414 2.081 ( 0.000 0.000 -3.084) 3.084 2.091 ( 0.000 0.000 -2.592) 2.592 2.107 ( 0.000 0.000 -0.553) 0.553 2.137 ( 0.000 0.000 0.673) 0.673 2.164 ( 0.000 0.000 1.064) 1.064 2.176 ( 0.000 0.000 0.218) 0.218 2.185 ( 0.000 0.000 -0.280) 0.280 2.228 ( 0.000 0.000 1.784) 1.784 2.240 ( 0.000 0.000 -2.746) 2.746 2.245 ( 0.000 0.000 2.631) 2.631 2.251 ( 0.000 0.000 -2.230) 2.230 2.275 ( 0.000 0.000 -0.016) 0.016 2.305 ( 0.000 0.000 -3.747) 3.747 2.319 ( 0.000 0.000 0.753) 0.753 2.371 ( 0.000 0.000 -1.198) 1.198 2.417 ( 0.000 0.000 3.373) 3.373 2.440 ( 0.000 0.000 1.165) 1.165 2.462 ( 0.000 0.000 0.542) 0.542 2.467 ( 0.000 0.000 2.462) 2.462 2.476 ( 0.000 0.000 0.491) 0.491 2.482 ( 0.000 0.000 -0.635) 0.635 2.518 ( 0.000 0.000 1.520) 1.520 2.540 ( 0.000 0.000 0.317) 0.317 2.553 ( 0.000 0.000 -1.014) 1.014 2.561 ( 0.000 0.000 0.936) 0.936 2.602 ( 0.000 0.000 -1.408) 1.408 2.603 ( 0.000 0.000 1.149) 1.149 2.644 ( 0.000 0.000 0.028) 0.028 2.644 ( 0.000 0.000 -0.149) 0.149 2.648 ( 0.000 0.000 1.187) 1.187 2.664 ( 0.000 0.000 -2.361) 2.361 2.692 ( 0.000 0.000 -0.135) 0.135 2.704 ( 0.000 0.000 0.699) 0.699 2.705 ( 0.000 0.000 -0.480) 0.480 2.722 ( 0.000 0.000 -2.232) 2.232 2.745 ( 0.000 0.000 -1.899) 1.899 2.751 ( 0.000 0.000 -2.259) 2.259 2.764 ( 0.000 0.000 3.267) 3.267 2.785 ( 0.000 0.000 0.806) 0.806 2.813 ( 0.000 0.000 -0.182) 0.182 2.822 ( 0.000 0.000 3.134) 3.134 2.848 ( 0.000 0.000 -2.811) 2.811 2.866 ( 0.000 0.000 1.680) 1.680 2.935 ( 0.000 0.000 -2.363) 2.363 2.949 ( 0.000 0.000 -2.202) 2.202 2.961 ( 0.000 0.000 1.863) 1.863 3.104 ( 0.000 0.000 0.450) 0.450 3.131 ( 0.000 0.000 4.467) 4.467 3.138 ( 0.000 0.000 -0.804) 0.804 3.160 ( 0.000 0.000 -2.755) 2.755 3.200 ( 0.000 0.000 0.027) 0.027 3.203 ( 0.000 0.000 0.561) 0.561 3.257 ( 0.000 0.000 0.615) 0.615 3.262 ( 0.000 0.000 0.435) 0.435 3.393 ( 0.000 0.000 -9.552) 9.552 3.459 ( 0.000 0.000 2.140) 2.140 3.474 ( 0.000 0.000 0.352) 0.352 3.521 ( 0.000 0.000 0.708) 0.708 3.537 ( 0.000 0.000 -1.550) 1.550 3.556 ( 0.000 0.000 -0.766) 0.766 3.600 ( 0.000 0.000 0.393) 0.393 3.608 ( 0.000 0.000 -3.223) 3.223 3.618 ( 0.000 0.000 -0.121) 0.121 3.643 ( 0.000 0.000 -2.966) 2.966 3.665 ( 0.000 0.000 -0.467) 0.467 3.678 ( 0.000 0.000 -1.216) 1.216 3.796 ( 0.000 0.000 -5.594) 5.594 3.799 ( 0.000 0.000 0.117) 0.117 3.851 ( 0.000 0.000 -1.250) 1.250 3.851 ( 0.000 0.000 0.710) 0.710 3.881 ( 0.000 0.000 1.125) 1.125 3.902 ( 0.000 0.000 -4.247) 4.247 3.969 ( 0.000 0.000 -1.935) 1.935 4.103 ( 0.000 0.000 13.529) 13.529 4.142 ( 0.000 0.000 7.839) 7.839 4.235 ( 0.000 0.000 10.260) 10.260 4.269 ( 0.000 0.000 7.501) 7.501 4.658 ( 0.000 0.000 -3.025) 3.025 4.678 ( 0.000 0.000 -0.149) 0.149 4.716 ( 0.000 0.000 -7.473) 7.473 4.993 ( 0.000 0.000 -9.036) 9.036 5.525 ( 0.000 0.000 3.326) 3.326 5.568 ( 0.000 0.000 6.120) 6.120 5.599 ( 0.000 0.000 -0.203) 0.203 5.804 ( 0.000 0.000 -3.780) 3.780 7.860 ( 0.000 0.000 0.520) 0.520 7.862 ( 0.000 0.000 1.429) 1.429 7.893 ( 0.000 0.000 -0.792) 0.792 7.946 ( 0.000 0.000 -1.937) 1.937 8.229 ( 0.000 0.000 0.458) 0.458 8.258 ( 0.000 0.000 -0.713) 0.713 8.280 ( 0.000 0.000 0.235) 0.235 8.303 ( 0.000 0.000 -0.720) 0.720 8.714 ( 0.000 0.000 0.871) 0.871 8.720 ( 0.000 0.000 0.419) 0.419 8.753 ( 0.000 0.000 -0.459) 0.459 8.768 ( 0.000 0.000 0.648) 0.648 8.770 ( 0.000 0.000 0.177) 0.177 8.813 ( 0.000 0.000 -0.896) 0.896 8.826 ( 0.000 0.000 1.198) 1.198 8.840 ( 0.000 0.000 -0.745) 0.745 8.874 ( 0.000 0.000 1.241) 1.241 8.963 ( 0.000 0.000 -2.321) 2.321 9.124 ( 0.000 0.000 0.078) 0.078 9.132 ( 0.000 0.000 -0.349) 0.349 9.257 ( 0.000 0.000 1.425) 1.425 9.331 ( 0.000 0.000 -1.845) 1.845 9.405 ( 0.000 0.000 2.102) 2.102 9.500 ( 0.000 0.000 -1.815) 1.815 9.650 ( 0.000 0.000 4.512) 4.512 9.833 ( 0.000 0.000 2.412) 2.412 9.843 ( 0.000 0.000 -3.405) 3.405 9.935 ( 0.000 0.000 -1.722) 1.722 10.305 ( 0.000 0.000 0.991) 0.991 10.319 ( 0.000 0.000 0.510) 0.510 10.323 ( 0.000 0.000 -0.222) 0.222 10.374 ( 0.000 0.000 -1.067) 1.067 10.393 ( 0.000 0.000 -0.201) 0.201 10.416 ( 0.000 0.000 -0.805) 0.805 10.427 ( 0.000 0.000 0.930) 0.930 10.455 ( 0.000 0.000 -0.433) 0.433 11.283 ( 0.000 0.000 0.293) 0.293 11.289 ( 0.000 0.000 0.601) 0.601 11.293 ( 0.000 0.000 -0.086) 0.086 11.326 ( 0.000 0.000 -0.812) 0.812 13.543 ( 0.000 0.000 0.072) 0.072 13.544 ( 0.000 0.000 0.015) 0.015 13.545 ( 0.000 0.000 -0.011) 0.011 13.547 ( 0.000 0.000 -0.063) 0.063 ======================= Grid point 26 (11/27) ======================= q-point: ( 0.25 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 10.753 0.000 9.396) 14.280 0.439 ( 11.742 0.000 8.356) 14.412 0.626 ( 1.775 0.000 -0.906) 1.993 0.700 ( -2.281 0.000 -0.800) 2.417 0.718 ( 0.139 0.000 -2.064) 2.069 0.746 ( 1.543 0.000 -2.173) 2.665 0.751 ( 1.294 0.000 0.173) 1.306 0.756 ( -0.613 0.000 -2.097) 2.185 0.772 ( 0.463 0.000 -0.902) 1.014 0.786 ( 0.887 0.000 -0.505) 1.021 0.796 ( -0.331 0.000 -2.059) 2.085 0.801 ( -0.872 0.000 -1.290) 1.557 0.822 ( 10.866 0.000 9.363) 14.343 0.843 ( 1.782 0.000 -0.069) 1.783 0.910 ( 2.740 0.000 2.861) 3.962 0.920 ( -4.497 0.000 1.518) 4.746 0.929 ( 1.122 0.000 -4.213) 4.360 0.946 ( 0.302 0.000 1.376) 1.408 0.964 ( 0.926 0.000 0.135) 0.936 0.965 ( -1.568 0.000 -1.821) 2.403 0.973 ( -5.294 0.000 1.035) 5.394 0.986 ( 2.077 0.000 -0.776) 2.218 1.031 ( -0.615 0.000 -2.674) 2.744 1.036 ( 0.866 0.000 -1.941) 2.125 1.071 ( -0.059 0.000 0.282) 0.288 1.072 ( 0.997 0.000 2.934) 3.099 1.086 ( 0.427 0.000 3.155) 3.183 1.087 ( 1.052 0.000 3.127) 3.300 1.134 ( -1.836 0.000 0.503) 1.903 1.144 ( -0.208 0.000 0.191) 0.283 1.155 ( -1.185 0.000 -2.139) 2.445 1.183 ( -1.294 0.000 3.929) 4.137 1.191 ( -1.437 0.000 2.111) 2.554 1.205 ( 0.330 0.000 -1.882) 1.911 1.213 ( -1.615 0.000 -0.592) 1.720 1.240 ( 2.070 0.000 0.153) 2.076 1.259 ( 0.064 0.000 0.505) 0.509 1.287 ( 1.470 0.000 -1.302) 1.963 1.305 ( 0.374 0.000 -1.023) 1.090 1.323 ( 0.582 0.000 1.009) 1.164 1.332 ( 0.356 0.000 0.366) 0.510 1.346 ( -1.768 0.000 -0.926) 1.995 1.349 ( 0.384 0.000 -2.417) 2.448 1.398 ( -0.963 0.000 0.684) 1.182 1.416 ( -0.437 0.000 -0.752) 0.870 1.421 ( 0.587 0.000 -3.446) 3.495 1.456 ( 3.000 0.000 -1.219) 3.238 1.457 ( -1.349 0.000 1.281) 1.860 1.468 ( -1.572 0.000 1.172) 1.961 1.486 ( 2.351 0.000 -2.801) 3.657 1.512 ( 0.682 0.000 -0.356) 0.770 1.532 ( 1.488 0.000 -1.129) 1.867 1.545 ( -0.698 0.000 -0.936) 1.167 1.558 ( 0.421 0.000 -0.596) 0.729 1.570 ( -2.096 0.000 0.250) 2.111 1.586 ( 0.034 0.000 0.108) 0.113 1.608 ( 1.627 0.000 0.014) 1.627 1.614 ( 0.886 0.000 1.291) 1.566 1.622 ( -3.516 0.000 -1.702) 3.906 1.629 ( -3.489 0.000 1.080) 3.652 1.660 ( -2.393 0.000 -0.058) 2.394 1.673 ( -0.011 0.000 2.109) 2.109 1.691 ( -1.909 0.000 2.240) 2.943 1.704 ( 1.028 0.000 -3.752) 3.890 1.730 ( -2.796 0.000 2.647) 3.850 1.747 ( 0.414 0.000 -1.097) 1.172 1.749 ( -2.496 0.000 2.444) 3.494 1.763 ( 1.205 0.000 0.231) 1.227 1.779 ( -0.188 0.000 0.847) 0.867 1.801 ( 0.858 0.000 -2.006) 2.181 1.809 ( 1.048 0.000 -0.778) 1.305 1.818 ( -0.202 0.000 0.234) 0.309 1.831 ( -0.257 0.000 1.962) 1.979 1.832 ( 0.796 0.000 0.077) 0.799 1.842 ( 0.615 0.000 1.030) 1.200 1.874 ( -0.842 0.000 0.657) 1.068 1.892 ( 0.347 0.000 1.142) 1.194 1.908 ( 0.782 0.000 1.515) 1.705 1.915 ( -1.673 0.000 -1.048) 1.974 1.933 ( 2.433 0.000 0.599) 2.506 1.957 ( 1.008 0.000 -2.942) 3.110 1.959 ( 0.146 0.000 -1.784) 1.790 1.988 ( -2.055 0.000 0.906) 2.246 2.002 ( 1.088 0.000 -0.032) 1.088 2.012 ( -1.018 0.000 -0.326) 1.068 2.037 ( -2.324 0.000 -1.175) 2.605 2.057 ( 0.586 0.000 1.496) 1.607 2.093 ( 0.731 0.000 0.808) 1.090 2.107 ( -0.554 0.000 -0.820) 0.990 2.128 ( 1.322 0.000 -2.819) 3.113 2.138 ( -1.555 0.000 1.117) 1.915 2.165 ( 0.539 0.000 0.563) 0.779 2.166 ( 2.064 0.000 -0.232) 2.076 2.191 ( -0.891 0.000 -1.102) 1.417 2.219 ( -0.786 0.000 0.902) 1.196 2.234 ( -0.629 0.000 -1.550) 1.673 2.246 ( 0.098 0.000 -1.189) 1.193 2.262 ( 2.579 0.000 1.801) 3.146 2.289 ( 1.683 0.000 -3.531) 3.912 2.303 ( 0.490 0.000 0.164) 0.517 2.336 ( 2.511 0.000 -0.491) 2.559 2.388 ( 1.814 0.000 -0.386) 1.855 2.411 ( -0.800 0.000 0.223) 0.830 2.415 ( -3.151 0.000 2.479) 4.009 2.422 ( -3.404 0.000 0.957) 3.536 2.439 ( -1.513 0.000 -0.048) 1.513 2.465 ( -0.001 0.000 -1.064) 1.064 2.475 ( -1.762 0.000 -0.908) 1.982 2.499 ( -2.827 0.000 -0.680) 2.908 2.556 ( 4.337 0.000 -0.659) 4.387 2.575 ( -0.035 0.000 0.323) 0.325 2.610 ( 2.233 0.000 -0.413) 2.271 2.610 ( 1.322 0.000 -0.071) 1.323 2.628 ( 0.327 0.000 -1.692) 1.723 2.640 ( 2.871 0.000 -0.399) 2.899 2.669 ( 0.631 0.000 -0.814) 1.030 2.681 ( -0.162 0.000 -0.095) 0.187 2.682 ( 1.267 0.000 0.586) 1.396 2.700 ( 3.174 0.000 1.595) 3.552 2.708 ( 1.803 0.000 -0.421) 1.851 2.715 ( -2.110 0.000 -2.489) 3.263 2.734 ( 1.828 0.000 -1.044) 2.105 2.754 ( -0.423 0.000 1.958) 2.003 2.759 ( 1.942 0.000 -0.594) 2.031 2.772 ( 0.636 0.000 -0.690) 0.938 2.793 ( 0.251 0.000 0.120) 0.278 2.804 ( -1.040 0.000 -0.963) 1.418 2.825 ( -2.239 0.000 1.532) 2.713 2.844 ( 2.161 0.000 3.711) 4.294 2.856 ( 0.342 0.000 -2.447) 2.470 2.896 ( -2.916 0.000 -1.248) 3.172 2.931 ( -1.922 0.000 -0.670) 2.035 2.937 ( -1.964 0.000 3.154) 3.716 3.053 ( -3.965 0.000 3.244) 5.123 3.136 ( -0.309 0.000 2.076) 2.099 3.138 ( 0.091 0.000 -1.171) 1.175 3.162 ( -2.389 0.000 0.969) 2.578 3.177 ( -0.651 0.000 -2.621) 2.700 3.186 ( 0.545 0.000 -1.142) 1.266 3.245 ( -1.154 0.000 -1.446) 1.851 3.292 ( 2.344 0.000 0.643) 2.431 3.400 ( 0.974 0.000 -6.527) 6.599 3.429 ( -4.043 0.000 0.369) 4.060 3.480 ( 1.729 0.000 0.982) 1.988 3.497 ( -2.735 0.000 -2.553) 3.742 3.524 ( 0.515 0.000 0.528) 0.738 3.576 ( -1.516 0.000 1.679) 2.262 3.582 ( 1.606 0.000 -0.536) 1.693 3.608 ( -0.172 0.000 0.502) 0.531 3.611 ( -3.559 0.000 0.221) 3.565 3.616 ( 0.671 0.000 -2.193) 2.293 3.672 ( -0.450 0.000 -1.818) 1.873 3.685 ( 0.709 0.000 -1.464) 1.627 3.758 ( -3.149 0.000 0.978) 3.297 3.798 ( 0.556 0.000 -4.509) 4.543 3.853 ( -0.217 0.000 -1.607) 1.621 3.857 ( 0.425 0.000 0.959) 1.049 3.871 ( -0.405 0.000 1.540) 1.592 3.884 ( -0.995 0.000 -2.988) 3.149 3.934 ( -2.324 0.000 -0.595) 2.399 4.194 ( 5.089 0.000 6.040) 7.899 4.196 ( 7.037 0.000 10.307) 12.480 4.280 ( 3.735 0.000 9.989) 10.664 4.323 ( 2.713 0.000 6.576) 7.114 4.614 ( -3.108 0.000 -2.819) 4.197 4.654 ( -2.775 0.000 -0.683) 2.857 4.719 ( 1.354 0.000 -7.657) 7.776 4.936 ( -5.357 0.000 -8.199) 9.794 5.535 ( 0.963 0.000 3.597) 3.723 5.569 ( -0.181 0.000 5.246) 5.249 5.638 ( 3.476 0.000 -1.043) 3.629 5.783 ( -2.197 0.000 -3.509) 4.140 7.877 ( 1.346 0.000 0.965) 1.656 7.904 ( 0.636 0.000 -0.105) 0.645 7.916 ( 3.191 0.000 -2.111) 3.826 7.990 ( 1.887 0.000 -4.668) 5.035 8.218 ( -0.386 0.000 0.433) 0.580 8.244 ( -0.817 0.000 -0.615) 1.023 8.266 ( -1.246 0.000 0.149) 1.255 8.281 ( -2.062 0.000 -0.468) 2.115 8.724 ( 0.803 0.000 1.554) 1.749 8.725 ( 0.922 0.000 1.047) 1.395 8.754 ( 0.243 0.000 0.433) 0.497 8.759 ( -0.585 0.000 1.059) 1.210 8.783 ( 0.926 0.000 -0.421) 1.017 8.812 ( 0.083 0.000 -0.961) 0.964 8.827 ( -0.870 0.000 -0.131) 0.880 8.827 ( 0.206 0.000 0.990) 1.012 8.933 ( 4.858 0.000 0.578) 4.893 9.009 ( 2.339 0.000 -3.297) 4.043 9.104 ( -2.158 0.000 0.055) 2.159 9.108 ( -2.098 0.000 -0.208) 2.109 9.278 ( 2.216 0.000 1.063) 2.458 9.348 ( 1.643 0.000 -1.723) 2.381 9.383 ( -2.067 0.000 1.617) 2.624 9.458 ( -3.225 0.000 -1.301) 3.478 9.697 ( 3.771 0.000 3.445) 5.107 9.820 ( -1.371 0.000 2.678) 3.009 9.823 ( 1.547 0.000 -0.485) 1.622 9.956 ( -1.291 0.000 -3.365) 3.604 10.308 ( 0.040 0.000 0.968) 0.969 10.313 ( -0.488 0.000 0.719) 0.869 10.328 ( 0.506 0.000 -0.330) 0.605 10.364 ( -0.880 0.000 -0.862) 1.232 10.395 ( 0.114 0.000 0.182) 0.215 10.405 ( -0.917 0.000 1.414) 1.686 10.423 ( 0.604 0.000 -0.886) 1.072 10.450 ( -0.513 0.000 -0.622) 0.806 11.283 ( 0.069 0.000 0.279) 0.288 11.289 ( -0.075 0.000 0.541) 0.547 11.296 ( 0.410 0.000 -0.258) 0.485 11.321 ( -0.486 0.000 -0.713) 0.863 13.543 ( -0.013 0.000 0.055) 0.057 13.544 ( -0.028 0.000 0.018) 0.034 13.544 ( -0.023 0.000 -0.009) 0.024 13.546 ( -0.083 0.000 -0.046) 0.095 ======================= Grid point 27 (12/27) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( -4.506 0.000 1.214) 4.667 0.639 ( 4.506 0.000 1.214) 4.667 0.645 ( -8.763 0.000 2.993) 9.260 0.645 ( 8.763 0.000 2.993) 9.260 0.696 ( -5.755 0.000 2.654) 6.338 0.696 ( 5.755 0.000 2.654) 6.338 0.760 ( -1.088 0.000 -2.755) 2.962 0.760 ( 1.088 0.000 -2.755) 2.962 0.781 ( -0.553 0.000 -1.009) 1.151 0.781 ( 0.553 0.000 -1.009) 1.151 0.798 ( -3.029 0.000 -0.095) 3.031 0.798 ( 3.029 0.000 -0.095) 3.031 0.852 ( -0.809 0.000 -0.194) 0.832 0.852 ( 0.809 0.000 -0.194) 0.832 0.863 ( -2.497 0.000 0.289) 2.514 0.863 ( 2.497 0.000 0.289) 2.514 0.945 ( -0.863 0.000 -2.701) 2.836 0.945 ( 0.863 0.000 -2.701) 2.836 0.966 ( -1.019 0.000 0.153) 1.030 0.966 ( 1.019 0.000 0.153) 1.030 1.019 ( -1.551 0.000 -1.957) 2.496 1.019 ( 1.551 0.000 -1.957) 2.496 1.024 ( -1.690 0.000 -2.346) 2.892 1.024 ( 1.690 0.000 -2.346) 2.892 1.093 ( -2.442 0.000 0.054) 2.443 1.093 ( 2.442 0.000 0.054) 2.443 1.112 ( -3.106 0.000 -1.465) 3.434 1.112 ( 3.106 0.000 -1.465) 3.434 1.114 ( -1.978 0.000 2.320) 3.049 1.114 ( 1.978 0.000 2.320) 3.049 1.150 ( -2.077 0.000 0.725) 2.200 1.150 ( 2.077 0.000 0.725) 2.200 1.184 ( -2.805 0.000 0.490) 2.847 1.184 ( 2.805 0.000 0.490) 2.847 1.272 ( -2.919 0.000 1.416) 3.245 1.272 ( 2.919 0.000 1.416) 3.245 1.313 ( -5.421 0.000 2.913) 6.154 1.313 ( 5.421 0.000 2.913) 6.154 1.320 ( -1.188 0.000 -1.165) 1.664 1.320 ( 1.188 0.000 -1.165) 1.664 1.354 ( -4.311 0.000 2.795) 5.138 1.354 ( 4.311 0.000 2.795) 5.138 1.382 ( -0.811 0.000 0.545) 0.977 1.382 ( 0.811 0.000 0.545) 0.977 1.405 ( -3.609 0.000 2.096) 4.173 1.405 ( 3.609 0.000 2.096) 4.173 1.431 ( -4.725 0.000 1.024) 4.835 1.431 ( 4.725 0.000 1.024) 4.835 1.475 ( -2.756 0.000 -2.385) 3.645 1.475 ( 2.756 0.000 -2.385) 3.645 1.524 ( -2.256 0.000 -1.493) 2.706 1.524 ( 2.256 0.000 -1.493) 2.706 1.532 ( -2.291 0.000 -1.492) 2.734 1.532 ( 2.291 0.000 -1.492) 2.734 1.575 ( -1.161 0.000 1.103) 1.601 1.575 ( 1.161 0.000 1.103) 1.601 1.583 ( -2.382 0.000 -0.416) 2.418 1.583 ( 2.382 0.000 -0.416) 2.418 1.608 ( -1.801 0.000 -0.519) 1.874 1.608 ( 1.801 0.000 -0.519) 1.874 1.661 ( -0.544 0.000 2.440) 2.500 1.661 ( 0.544 0.000 2.440) 2.500 1.675 ( -3.199 0.000 0.018) 3.199 1.675 ( 3.199 0.000 0.018) 3.199 1.717 ( -1.514 0.000 0.423) 1.572 1.717 ( 1.514 0.000 0.423) 1.572 1.780 ( -0.832 0.000 -0.868) 1.202 1.780 ( 0.832 0.000 -0.868) 1.202 1.801 ( -1.516 0.000 0.355) 1.557 1.801 ( 1.516 0.000 0.355) 1.557 1.824 ( -0.228 0.000 1.027) 1.051 1.824 ( 0.228 0.000 1.027) 1.051 1.830 ( -1.287 0.000 -0.129) 1.293 1.830 ( 1.287 0.000 -0.129) 1.293 1.860 ( -0.994 0.000 -0.553) 1.137 1.860 ( 0.994 0.000 -0.553) 1.137 1.890 ( -0.849 0.000 -0.242) 0.883 1.890 ( 0.849 0.000 -0.242) 0.883 1.929 ( -1.674 0.000 1.110) 2.009 1.929 ( 1.674 0.000 1.110) 2.009 1.951 ( -2.191 0.000 -1.193) 2.495 1.951 ( 2.191 0.000 -1.193) 2.495 1.978 ( -1.700 0.000 -0.966) 1.955 1.978 ( 1.700 0.000 -0.966) 1.955 2.052 ( -2.823 0.000 1.642) 3.266 2.052 ( 2.823 0.000 1.642) 3.266 2.058 ( -3.590 0.000 -0.727) 3.663 2.058 ( 3.590 0.000 -0.727) 3.663 2.106 ( -2.329 0.000 0.384) 2.361 2.106 ( 2.329 0.000 0.384) 2.361 2.150 ( -1.470 0.000 -2.032) 2.508 2.150 ( 1.470 0.000 -2.032) 2.508 2.200 ( -1.018 0.000 1.069) 1.476 2.200 ( 1.018 0.000 1.069) 1.476 2.219 ( -1.399 0.000 -1.761) 2.249 2.219 ( 1.399 0.000 -1.761) 2.249 2.276 ( -2.721 0.000 -1.548) 3.131 2.276 ( 2.721 0.000 -1.548) 3.131 2.326 ( -2.333 0.000 -1.614) 2.837 2.326 ( 2.333 0.000 -1.614) 2.837 2.371 ( -0.480 0.000 2.479) 2.525 2.371 ( 0.480 0.000 2.479) 2.525 2.379 ( -2.472 0.000 -0.213) 2.481 2.379 ( 2.472 0.000 -0.213) 2.481 2.418 ( -3.225 0.000 -0.596) 3.279 2.418 ( 3.225 0.000 -0.596) 3.279 2.436 ( -3.036 0.000 -0.024) 3.036 2.436 ( 3.036 0.000 -0.024) 3.036 2.525 ( -3.691 0.000 -0.788) 3.774 2.525 ( 3.691 0.000 -0.788) 3.774 2.638 ( -2.119 0.000 -2.615) 3.366 2.638 ( 2.119 0.000 -2.615) 3.366 2.644 ( -2.483 0.000 0.720) 2.585 2.644 ( 2.483 0.000 0.720) 2.585 2.662 ( -2.476 0.000 -1.569) 2.931 2.662 ( 2.476 0.000 -1.569) 2.931 2.694 ( -1.461 0.000 -0.465) 1.533 2.694 ( 1.461 0.000 -0.465) 1.533 2.702 ( -1.079 0.000 -0.641) 1.255 2.702 ( 1.079 0.000 -0.641) 1.255 2.751 ( -1.908 0.000 -0.560) 1.988 2.751 ( 1.908 0.000 -0.560) 1.988 2.753 ( -1.984 0.000 0.002) 1.984 2.753 ( 1.984 0.000 0.002) 1.984 2.789 ( -0.709 0.000 0.080) 0.713 2.789 ( 0.709 0.000 0.080) 0.713 2.796 ( -1.300 0.000 -0.710) 1.481 2.796 ( 1.300 0.000 -0.710) 1.481 2.866 ( -1.156 0.000 0.986) 1.519 2.866 ( 1.156 0.000 0.986) 1.519 2.885 ( -2.223 0.000 0.481) 2.274 2.885 ( 2.223 0.000 0.481) 2.274 2.954 ( -5.070 0.000 5.594) 7.550 2.954 ( 5.070 0.000 5.594) 7.550 3.134 ( -0.552 0.000 1.224) 1.343 3.134 ( 0.552 0.000 1.224) 1.343 3.146 ( -0.986 0.000 -1.401) 1.714 3.146 ( 0.986 0.000 -1.401) 1.714 3.219 ( -1.544 0.000 -2.976) 3.353 3.219 ( 1.544 0.000 -2.976) 3.353 3.347 ( -3.476 0.000 0.738) 3.553 3.347 ( 3.476 0.000 0.738) 3.553 3.437 ( -2.599 0.000 -4.442) 5.147 3.437 ( 2.599 0.000 -4.442) 5.147 3.535 ( -3.375 0.000 1.251) 3.599 3.535 ( 3.375 0.000 1.251) 3.599 3.544 ( -1.389 0.000 0.874) 1.641 3.544 ( 1.389 0.000 0.874) 1.641 3.608 ( -0.597 0.000 0.335) 0.684 3.608 ( 0.597 0.000 0.335) 0.684 3.645 ( -1.798 0.000 -1.571) 2.388 3.645 ( 1.798 0.000 -1.571) 2.388 3.703 ( -1.757 0.000 0.592) 1.854 3.703 ( 1.757 0.000 0.592) 1.854 3.824 ( -1.855 0.000 -3.263) 3.753 3.824 ( 1.855 0.000 -3.263) 3.753 3.865 ( -0.335 0.000 1.106) 1.156 3.865 ( 0.335 0.000 1.106) 1.156 3.895 ( -1.524 0.000 -0.746) 1.697 3.895 ( 1.524 0.000 -0.746) 1.697 4.303 ( -4.464 0.000 5.118) 6.791 4.303 ( 4.464 0.000 5.118) 6.791 4.310 ( -2.620 0.000 9.520) 9.874 4.310 ( 2.620 0.000 9.520) 9.874 4.591 ( -1.947 0.000 -2.225) 2.957 4.591 ( 1.947 0.000 -2.225) 2.957 4.805 ( -6.650 0.000 -7.298) 9.873 4.805 ( 6.650 0.000 -7.298) 9.873 5.557 ( -1.000 0.000 4.185) 4.303 5.557 ( 1.000 0.000 4.185) 4.303 5.718 ( -4.034 0.000 -2.529) 4.761 5.718 ( 4.034 0.000 -2.529) 4.761 7.903 ( -0.854 0.000 0.529) 1.005 7.903 ( 0.854 0.000 0.529) 1.005 7.977 ( -2.580 0.000 -3.167) 4.085 7.977 ( 2.580 0.000 -3.167) 4.085 8.235 ( -1.987 0.000 0.004) 1.987 8.235 ( 1.987 0.000 0.004) 1.987 8.243 ( -0.735 0.000 -0.237) 0.772 8.243 ( 0.735 0.000 -0.237) 0.772 8.744 ( -0.894 0.000 1.184) 1.484 8.744 ( 0.894 0.000 1.184) 1.484 8.747 ( -1.029 0.000 1.081) 1.493 8.747 ( 1.029 0.000 1.081) 1.493 8.805 ( -1.231 0.000 -0.348) 1.279 8.805 ( 1.231 0.000 -0.348) 1.279 8.821 ( -0.707 0.000 -0.397) 0.811 8.821 ( 0.707 0.000 -0.397) 0.811 9.035 ( -4.639 0.000 0.192) 4.643 9.035 ( 4.639 0.000 0.192) 4.643 9.057 ( -2.694 0.000 -0.895) 2.839 9.057 ( 2.694 0.000 -0.895) 2.839 9.332 ( -2.802 0.000 0.902) 2.943 9.332 ( 2.802 0.000 0.902) 2.943 9.394 ( -2.891 0.000 -1.446) 3.232 9.394 ( 2.891 0.000 -1.446) 3.232 9.773 ( -3.339 0.000 2.916) 4.433 9.773 ( 3.339 0.000 2.916) 4.433 9.892 ( -4.247 0.000 -1.632) 4.550 9.892 ( 4.247 0.000 -1.632) 4.550 10.307 ( -0.037 0.000 1.103) 1.104 10.307 ( 0.037 0.000 1.103) 1.104 10.344 ( -1.012 0.000 -0.579) 1.166 10.344 ( 1.012 0.000 -0.579) 1.166 10.397 ( -0.135 0.000 0.538) 0.555 10.397 ( 0.135 0.000 0.538) 0.555 10.437 ( -0.724 0.000 -0.854) 1.120 10.437 ( 0.724 0.000 -0.854) 1.120 11.286 ( -0.171 0.000 0.378) 0.415 11.286 ( 0.171 0.000 0.378) 0.415 11.308 ( -0.718 0.000 -0.524) 0.888 11.308 ( 0.718 0.000 -0.524) 0.888 13.543 ( -0.012 0.000 0.029) 0.032 13.543 ( 0.012 0.000 0.029) 0.032 13.544 ( -0.042 0.000 -0.017) 0.045 13.544 ( 0.042 0.000 -0.017) 0.045 ======================= Grid point 30 (13/27) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 0.000 7.531 9.647) 12.239 0.438 ( 0.000 11.392 9.360) 14.744 0.622 ( 0.000 -0.155 -1.498) 1.506 0.676 ( 0.000 -1.454 -1.818) 2.328 0.695 ( 0.000 -2.706 -1.039) 2.899 0.705 ( 0.000 4.508 4.726) 6.531 0.707 ( 0.000 -1.458 -1.469) 2.070 0.718 ( 0.000 -0.956 -1.913) 2.139 0.787 ( 0.000 1.743 -0.697) 1.877 0.802 ( 0.000 2.545 -0.776) 2.661 0.804 ( 0.000 1.244 0.027) 1.245 0.838 ( 0.000 3.749 -4.319) 5.719 0.840 ( 0.000 1.842 3.433) 3.896 0.841 ( 0.000 1.580 -1.125) 1.940 0.874 ( 0.000 -0.746 -1.973) 2.109 0.908 ( 0.000 -0.022 0.331) 0.332 0.925 ( 0.000 -6.256 0.165) 6.258 0.932 ( 0.000 -1.874 1.598) 2.463 0.953 ( 0.000 -0.332 3.294) 3.311 0.960 ( 0.000 -0.223 -0.669) 0.705 0.969 ( 0.000 1.217 1.801) 2.173 1.023 ( 0.000 -1.894 3.918) 4.351 1.033 ( 0.000 0.891 1.975) 2.167 1.048 ( 0.000 2.103 0.801) 2.251 1.051 ( 0.000 -3.067 0.106) 3.069 1.066 ( 0.000 1.626 0.545) 1.715 1.069 ( 0.000 -0.381 0.790) 0.877 1.085 ( 0.000 3.054 0.962) 3.202 1.131 ( 0.000 -2.562 -1.942) 3.215 1.136 ( 0.000 -2.121 -2.682) 3.420 1.157 ( 0.000 -1.547 -0.355) 1.587 1.164 ( 0.000 0.698 -2.173) 2.283 1.200 ( 0.000 -2.087 -0.722) 2.208 1.218 ( 0.000 -0.038 -1.462) 1.463 1.228 ( 0.000 0.456 1.323) 1.400 1.243 ( 0.000 0.444 1.162) 1.244 1.261 ( 0.000 0.682 0.835) 1.078 1.293 ( 0.000 -1.975 1.828) 2.691 1.295 ( 0.000 -1.290 0.527) 1.394 1.307 ( 0.000 -0.268 1.125) 1.156 1.337 ( 0.000 0.805 1.898) 2.061 1.345 ( 0.000 -3.533 0.011) 3.533 1.380 ( 0.000 -1.726 1.088) 2.040 1.380 ( 0.000 -0.454 1.105) 1.194 1.404 ( 0.000 1.080 -1.047) 1.504 1.422 ( 0.000 3.201 -3.739) 4.922 1.438 ( 0.000 2.622 -1.822) 3.192 1.464 ( 0.000 -1.716 -2.369) 2.925 1.493 ( 0.000 0.284 -1.844) 1.866 1.494 ( 0.000 0.185 -2.256) 2.264 1.513 ( 0.000 0.320 -0.144) 0.351 1.517 ( 0.000 -0.921 -1.171) 1.490 1.573 ( 0.000 -0.563 2.634) 2.694 1.575 ( 0.000 2.298 -2.453) 3.361 1.580 ( 0.000 1.623 -2.584) 3.052 1.584 ( 0.000 0.984 1.188) 1.542 1.595 ( 0.000 -0.812 2.101) 2.252 1.605 ( 0.000 0.876 2.300) 2.461 1.615 ( 0.000 -0.221 0.986) 1.011 1.627 ( 0.000 -0.572 -1.570) 1.671 1.670 ( 0.000 -1.451 0.120) 1.456 1.680 ( 0.000 -0.587 -2.289) 2.363 1.702 ( 0.000 -0.725 2.235) 2.350 1.708 ( 0.000 0.440 -0.075) 0.446 1.718 ( 0.000 0.139 -0.141) 0.198 1.758 ( 0.000 0.376 0.986) 1.055 1.761 ( 0.000 -0.282 -1.773) 1.795 1.788 ( 0.000 0.177 -0.311) 0.358 1.793 ( 0.000 -0.233 0.871) 0.901 1.803 ( 0.000 -0.338 1.388) 1.428 1.810 ( 0.000 0.513 -2.411) 2.465 1.813 ( 0.000 0.599 -0.585) 0.837 1.836 ( 0.000 0.139 1.707) 1.712 1.842 ( 0.000 0.598 1.872) 1.966 1.854 ( 0.000 2.176 0.106) 2.179 1.876 ( 0.000 -0.427 1.774) 1.824 1.885 ( 0.000 -1.114 0.814) 1.380 1.894 ( 0.000 0.653 -1.030) 1.219 1.903 ( 0.000 0.262 -0.140) 0.297 1.922 ( 0.000 -1.063 0.869) 1.373 1.942 ( 0.000 0.577 -1.409) 1.523 1.955 ( 0.000 0.754 -1.349) 1.546 1.981 ( 0.000 -1.594 -1.380) 2.109 2.016 ( 0.000 0.388 0.262) 0.468 2.038 ( 0.000 0.469 0.111) 0.482 2.038 ( 0.000 0.063 2.261) 2.261 2.067 ( 0.000 -2.221 -2.166) 3.102 2.088 ( 0.000 2.286 0.794) 2.420 2.104 ( 0.000 -0.941 -0.944) 1.333 2.110 ( 0.000 -1.181 1.735) 2.099 2.119 ( 0.000 1.835 -2.182) 2.851 2.129 ( 0.000 -3.432 2.028) 3.986 2.166 ( 0.000 -0.672 -1.323) 1.484 2.204 ( 0.000 -2.594 0.985) 2.775 2.218 ( 0.000 1.678 -3.082) 3.509 2.242 ( 0.000 -0.297 0.542) 0.618 2.243 ( 0.000 0.473 -1.965) 2.021 2.255 ( 0.000 -2.087 -2.572) 3.312 2.256 ( 0.000 0.546 -2.612) 2.668 2.279 ( 0.000 0.895 -1.804) 2.013 2.337 ( 0.000 -0.348 -0.357) 0.499 2.358 ( 0.000 0.819 -0.253) 0.857 2.398 ( 0.000 -1.455 2.724) 3.088 2.424 ( 0.000 -3.031 1.073) 3.216 2.458 ( 0.000 1.800 2.245) 2.877 2.473 ( 0.000 1.009 0.290) 1.050 2.476 ( 0.000 0.308 3.584) 3.598 2.501 ( 0.000 -0.870 0.929) 1.273 2.524 ( 0.000 1.324 -0.167) 1.335 2.542 ( 0.000 -0.734 3.061) 3.148 2.559 ( 0.000 2.078 0.399) 2.116 2.562 ( 0.000 0.455 1.156) 1.243 2.596 ( 0.000 2.386 0.307) 2.406 2.622 ( 0.000 -0.048 -0.105) 0.116 2.623 ( 0.000 -0.514 1.527) 1.611 2.639 ( 0.000 0.909 0.308) 0.959 2.643 ( 0.000 -0.935 -0.070) 0.938 2.676 ( 0.000 0.493 1.393) 1.477 2.681 ( 0.000 -1.049 -0.342) 1.104 2.702 ( 0.000 -0.877 -0.088) 0.881 2.711 ( 0.000 0.335 -1.818) 1.849 2.716 ( 0.000 1.664 -2.474) 2.982 2.752 ( 0.000 -0.459 -0.483) 0.666 2.764 ( 0.000 -0.117 0.155) 0.194 2.771 ( 0.000 1.373 -1.957) 2.391 2.780 ( 0.000 -0.849 0.402) 0.939 2.816 ( 0.000 -0.170 -1.466) 1.476 2.820 ( 0.000 0.022 0.714) 0.715 2.851 ( 0.000 -0.249 0.565) 0.618 2.857 ( 0.000 -0.823 2.025) 2.186 2.935 ( 0.000 -1.268 -0.874) 1.540 2.938 ( 0.000 -0.559 0.063) 0.562 2.977 ( 0.000 1.255 1.193) 1.732 3.084 ( 0.000 -2.537 0.829) 2.669 3.126 ( 0.000 -0.129 4.007) 4.010 3.146 ( 0.000 0.380 -1.346) 1.399 3.148 ( 0.000 -0.677 -2.607) 2.694 3.173 ( 0.000 -5.888 4.161) 7.210 3.218 ( 0.000 1.712 0.253) 1.731 3.252 ( 0.000 2.561 -1.628) 3.034 3.280 ( 0.000 0.220 -0.761) 0.793 3.381 ( 0.000 -5.924 1.778) 6.185 3.408 ( 0.000 1.419 -8.055) 8.179 3.473 ( 0.000 -0.400 0.590) 0.712 3.527 ( 0.000 0.544 0.439) 0.699 3.546 ( 0.000 0.192 -0.461) 0.500 3.550 ( 0.000 -0.761 -0.053) 0.763 3.555 ( 0.000 -3.766 -3.374) 5.056 3.595 ( 0.000 1.217 1.022) 1.589 3.633 ( 0.000 0.329 -3.244) 3.261 3.651 ( 0.000 -0.506 -0.924) 1.054 3.668 ( 0.000 2.039 -3.285) 3.866 3.677 ( 0.000 0.732 -1.247) 1.445 3.724 ( 0.000 -4.684 -4.789) 6.699 3.728 ( 0.000 -5.617 -0.927) 5.693 3.807 ( 0.000 -6.489 -2.133) 6.830 3.851 ( 0.000 0.471 0.818) 0.944 3.859 ( 0.000 0.823 0.756) 1.118 3.869 ( 0.000 -0.558 1.816) 1.900 3.928 ( 0.000 -2.886 0.769) 2.987 4.214 ( 0.000 6.811 6.650) 9.519 4.268 ( 0.000 9.418 7.262) 11.893 4.380 ( 0.000 9.256 8.515) 12.577 4.388 ( 0.000 10.695 5.469) 12.012 4.627 ( 0.000 -4.660 0.838) 4.735 4.631 ( 0.000 -1.115 -4.838) 4.965 4.703 ( 0.000 -1.432 -4.688) 4.902 4.945 ( 0.000 -5.448 -6.796) 8.710 5.561 ( 0.000 3.786 1.394) 4.035 5.568 ( 0.000 0.082 4.642) 4.643 5.591 ( 0.000 -0.772 0.117) 0.780 5.763 ( 0.000 -4.064 -3.339) 5.260 7.867 ( 0.000 0.715 0.310) 0.779 7.876 ( 0.000 0.799 0.003) 0.799 7.895 ( 0.000 0.265 -0.746) 0.791 7.928 ( 0.000 -1.358 -0.968) 1.667 8.233 ( 0.000 0.473 0.466) 0.664 8.262 ( 0.000 0.371 -0.650) 0.749 8.270 ( 0.000 -0.982 0.280) 1.021 8.292 ( 0.000 -0.976 -0.613) 1.152 8.708 ( 0.000 -0.252 1.017) 1.047 8.725 ( 0.000 0.264 0.886) 0.925 8.727 ( 0.000 -1.623 2.883) 3.309 8.755 ( 0.000 -1.562 0.864) 1.785 8.766 ( 0.000 -0.092 0.051) 0.105 8.793 ( 0.000 -1.490 0.034) 1.491 8.815 ( 0.000 0.171 -1.150) 1.162 8.828 ( 0.000 -0.740 -1.709) 1.862 8.891 ( 0.000 1.872 1.355) 2.310 8.979 ( 0.000 1.618 -2.078) 2.634 9.053 ( 0.000 -5.867 0.623) 5.900 9.082 ( 0.000 -3.202 -0.471) 3.236 9.343 ( 0.000 6.919 1.238) 7.029 9.413 ( 0.000 5.861 -1.573) 6.068 9.441 ( 0.000 3.096 1.477) 3.430 9.496 ( 0.000 -0.584 -0.712) 0.921 9.676 ( 0.000 2.213 2.692) 3.485 9.775 ( 0.000 -3.946 0.247) 3.953 9.796 ( 0.000 -3.260 1.643) 3.651 9.868 ( 0.000 -6.027 -1.253) 6.156 10.318 ( 0.000 1.630 1.276) 2.070 10.333 ( 0.000 1.492 0.576) 1.599 10.372 ( 0.000 2.433 -0.976) 2.622 10.378 ( 0.000 -1.040 0.723) 1.267 10.386 ( 0.000 2.297 -0.807) 2.435 10.400 ( 0.000 -1.155 1.412) 1.824 10.411 ( 0.000 -0.750 -0.686) 1.017 10.503 ( 0.000 0.155 -3.796) 3.799 11.288 ( 0.000 0.275 0.087) 0.288 11.290 ( 0.000 0.054 0.397) 0.401 11.290 ( 0.000 0.200 -0.128) 0.238 11.319 ( 0.000 -0.664 -0.671) 0.944 13.544 ( 0.000 0.021 0.063) 0.066 13.545 ( 0.000 -0.015 0.003) 0.015 13.545 ( 0.000 0.047 0.004) 0.047 13.547 ( 0.000 -0.035 -0.051) 0.062 ======================= Grid point 31 (14/27) ======================= q-point: ( 0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 7.468 4.960 6.658) 11.167 0.503 ( 7.482 5.729 7.824) 12.248 0.635 ( 1.107 0.004 -0.650) 1.284 0.654 ( -1.491 -1.104 -1.225) 2.223 0.700 ( 0.328 -3.195 -1.347) 3.483 0.708 ( -0.013 -2.995 -1.178) 3.218 0.728 ( 0.328 -1.157 -2.462) 2.740 0.762 ( 2.118 -1.420 -1.219) 2.826 0.764 ( -1.910 -0.071 -1.424) 2.383 0.788 ( -1.907 -0.473 -0.375) 2.000 0.806 ( 0.919 3.191 -2.210) 3.989 0.836 ( 0.473 0.981 -0.529) 1.211 0.865 ( 0.696 1.504 -1.500) 2.235 0.875 ( -0.933 -1.741 0.748) 2.112 0.902 ( 0.681 0.024 -2.203) 2.306 0.920 ( 0.605 -0.707 2.783) 2.935 0.929 ( 2.936 1.443 1.623) 3.652 0.953 ( 3.136 -0.635 1.378) 3.483 0.966 ( 0.797 1.065 2.030) 2.427 0.973 ( -1.014 0.280 0.362) 1.112 0.983 ( 0.237 -0.870 -1.422) 1.683 1.009 ( -2.098 2.074 -0.861) 3.073 1.024 ( 2.237 2.770 2.897) 4.591 1.039 ( -1.151 -0.271 -0.103) 1.186 1.055 ( 0.022 -1.659 1.329) 2.126 1.070 ( 1.051 -0.103 1.592) 1.910 1.089 ( -0.490 1.307 0.813) 1.615 1.093 ( 1.550 0.038 2.661) 3.079 1.108 ( 0.877 1.426 -0.438) 1.731 1.140 ( -0.148 -0.921 1.083) 1.430 1.148 ( 0.141 0.489 -0.018) 0.509 1.163 ( 0.536 0.144 -0.942) 1.093 1.180 ( -0.183 -1.226 -1.629) 2.047 1.211 ( -0.534 -0.289 0.866) 1.058 1.225 ( -1.945 1.702 1.116) 2.815 1.236 ( 0.737 0.440 0.272) 0.900 1.281 ( -0.395 -0.517 0.492) 0.816 1.290 ( 1.218 -2.235 -0.558) 2.606 1.299 ( -0.121 -0.051 -1.195) 1.202 1.309 ( 1.091 -0.172 0.199) 1.122 1.325 ( 0.941 -0.846 2.588) 2.881 1.335 ( -0.615 -0.996 0.231) 1.193 1.344 ( -0.838 -1.005 -0.829) 1.549 1.378 ( -0.556 -1.058 -0.144) 1.204 1.409 ( -0.248 0.105 -1.462) 1.487 1.429 ( -0.878 0.113 -1.374) 1.634 1.445 ( 0.981 1.966 -1.977) 2.956 1.466 ( 0.744 -0.217 -0.466) 0.905 1.487 ( 0.380 0.511 0.158) 0.656 1.503 ( 0.482 0.579 -0.787) 1.090 1.520 ( 1.333 0.898 0.653) 1.735 1.538 ( 1.644 -0.477 -0.321) 1.741 1.554 ( -1.141 0.982 -1.723) 2.288 1.564 ( 0.107 0.112 -0.012) 0.156 1.578 ( -0.629 2.146 -0.863) 2.397 1.595 ( -0.414 0.092 0.137) 0.446 1.601 ( -0.167 0.035 -0.442) 0.474 1.617 ( 1.459 0.738 1.726) 2.377 1.624 ( -2.037 -0.538 -1.488) 2.580 1.643 ( 0.052 0.377 1.172) 1.232 1.654 ( -0.597 0.381 -0.122) 0.719 1.683 ( -0.242 0.052 -0.168) 0.299 1.693 ( -0.572 -0.316 2.532) 2.615 1.703 ( -0.043 0.356 -2.329) 2.357 1.735 ( -1.610 -0.349 -0.768) 1.817 1.738 ( -1.945 -0.146 2.769) 3.387 1.750 ( 0.911 -0.483 1.157) 1.550 1.766 ( -1.633 0.953 1.465) 2.392 1.781 ( 0.656 -1.138 -0.640) 1.462 1.792 ( -0.031 1.121 -0.646) 1.294 1.799 ( -1.060 -0.797 0.748) 1.523 1.822 ( 0.041 0.393 -0.705) 0.808 1.828 ( -0.748 0.720 -0.933) 1.395 1.832 ( 0.408 0.199 0.346) 0.571 1.857 ( -0.152 0.219 0.938) 0.975 1.881 ( -0.459 0.413 0.321) 0.696 1.891 ( 0.052 -0.425 0.835) 0.938 1.906 ( -0.090 -1.428 0.104) 1.435 1.914 ( -0.309 0.512 0.399) 0.719 1.922 ( 0.909 0.531 1.547) 1.871 1.955 ( 1.764 -0.917 -1.752) 2.650 1.962 ( -0.392 -0.405 -1.003) 1.150 1.981 ( -1.736 -0.215 -0.612) 1.853 1.985 ( 1.841 0.204 -0.293) 1.875 2.015 ( -2.044 -0.439 -0.861) 2.261 2.029 ( -0.777 -0.702 0.618) 1.216 2.075 ( 1.190 0.345 0.116) 1.245 2.084 ( -0.170 -0.364 1.347) 1.406 2.103 ( -1.747 -0.329 0.318) 1.806 2.120 ( -0.084 -0.794 -0.396) 0.891 2.130 ( 2.214 -0.428 -0.353) 2.282 2.163 ( 0.293 1.498 -2.126) 2.617 2.173 ( 1.002 -1.655 -0.214) 1.947 2.194 ( -1.822 0.104 -2.443) 3.050 2.198 ( 0.456 -0.591 -0.261) 0.791 2.236 ( -0.478 0.038 -2.407) 2.454 2.242 ( 1.037 -0.610 -0.175) 1.216 2.263 ( 2.082 -1.278 -1.887) 3.087 2.281 ( 1.049 1.180 -1.662) 2.292 2.320 ( 2.206 0.994 -0.789) 2.545 2.329 ( 1.003 0.394 -1.145) 1.573 2.360 ( -0.122 -1.433 -1.330) 1.959 2.389 ( -1.469 -1.826 0.490) 2.394 2.409 ( -0.545 -1.401 -0.188) 1.515 2.441 ( -2.288 1.136 1.517) 2.971 2.454 ( -1.677 0.184 0.944) 1.933 2.461 ( -0.485 0.212 0.648) 0.837 2.495 ( -1.446 0.072 -0.410) 1.505 2.503 ( -1.436 1.174 0.155) 1.861 2.546 ( -0.997 -0.008 2.725) 2.902 2.565 ( 2.276 -0.429 0.805) 2.452 2.594 ( 2.022 -0.866 0.675) 2.301 2.610 ( 1.083 0.802 -0.470) 1.428 2.635 ( 0.447 0.276 0.797) 0.955 2.645 ( 1.238 1.339 -0.506) 1.893 2.666 ( 3.094 0.760 0.746) 3.272 2.684 ( 0.256 -0.657 0.771) 1.045 2.691 ( 2.688 -0.149 0.363) 2.716 2.701 ( 1.420 -0.536 0.424) 1.576 2.703 ( 1.495 1.130 0.000) 1.874 2.720 ( 1.427 0.729 -0.624) 1.719 2.741 ( -1.097 -0.122 0.178) 1.118 2.752 ( 1.566 1.057 0.339) 1.920 2.759 ( 0.858 -0.396 -0.764) 1.215 2.782 ( 0.473 0.520 -1.328) 1.502 2.789 ( 0.676 0.043 -0.433) 0.803 2.814 ( -0.321 0.045 -1.187) 1.231 2.827 ( -1.942 0.064 0.733) 2.076 2.835 ( 1.590 -0.578 0.960) 1.945 2.864 ( 1.334 0.045 1.389) 1.927 2.896 ( -3.068 -0.039 -1.099) 3.259 2.922 ( -1.824 -1.339 0.366) 2.292 2.954 ( -1.976 1.471 2.316) 3.381 3.057 ( -3.059 -0.048 2.490) 3.945 3.085 ( -2.766 -4.139 2.449) 5.548 3.105 ( -2.422 -2.453 2.172) 4.074 3.158 ( 0.541 0.523 -0.878) 1.157 3.180 ( 1.501 -0.826 -2.003) 2.635 3.203 ( -1.692 1.384 -1.159) 2.474 3.259 ( -1.208 0.591 -1.543) 2.047 3.293 ( 2.154 0.424 0.491) 2.250 3.407 ( 0.940 -3.784 1.029) 4.032 3.415 ( 1.125 -0.170 -5.138) 5.262 3.443 ( -1.701 -0.538 0.751) 1.935 3.513 ( -1.810 0.769 -2.038) 2.832 3.532 ( -0.182 0.874 -0.302) 0.942 3.558 ( 0.192 -1.884 -0.333) 1.923 3.571 ( 0.750 -1.633 0.001) 1.798 3.590 ( -0.020 0.336 -0.467) 0.576 3.613 ( -2.205 0.302 -1.311) 2.583 3.623 ( -2.013 0.067 -0.996) 2.247 3.645 ( -0.067 -0.587 -0.389) 0.708 3.672 ( -1.418 -0.636 -2.164) 2.664 3.698 ( -1.298 -2.772 -0.756) 3.153 3.736 ( 0.187 -5.304 -3.753) 6.500 3.788 ( -1.564 -5.483 -1.969) 6.032 3.861 ( 0.768 0.139 0.363) 0.861 3.865 ( 0.535 0.275 0.342) 0.692 3.870 ( 0.051 -0.314 1.308) 1.347 3.910 ( -1.371 -1.801 0.468) 2.311 4.254 ( 3.741 5.918 5.592) 8.961 4.319 ( 3.790 7.363 6.114) 10.294 4.412 ( 2.909 8.538 8.369) 12.304 4.438 ( 3.337 9.930 4.781) 11.515 4.586 ( -3.246 -2.738 -0.833) 4.327 4.611 ( -1.829 -1.403 -2.877) 3.686 4.711 ( 1.374 -1.626 -4.730) 5.186 4.901 ( -4.271 -4.225 -5.876) 8.404 5.563 ( 0.264 2.973 1.816) 3.494 5.571 ( 0.101 0.437 3.770) 3.797 5.620 ( 2.728 -1.605 -0.625) 3.226 5.744 ( -1.992 -3.854 -3.058) 5.308 7.884 ( 1.397 0.761 0.584) 1.695 7.906 ( 0.730 0.260 -0.345) 0.848 7.913 ( 2.481 -0.288 -1.609) 2.971 7.959 ( 1.730 -2.475 -2.383) 3.847 8.223 ( -0.490 0.522 0.423) 0.832 8.246 ( -0.992 0.187 -0.484) 1.120 8.259 ( -1.092 -0.761 0.052) 1.332 8.272 ( -1.823 -0.819 -0.374) 2.033 8.715 ( 0.606 -0.300 1.614) 1.750 8.728 ( 0.694 -0.389 1.709) 1.885 8.738 ( 0.307 -0.878 1.391) 1.673 8.750 ( -0.372 -0.968 1.112) 1.521 8.776 ( 1.001 -0.385 -0.653) 1.256 8.802 ( 0.647 -1.479 0.055) 1.616 8.811 ( -0.255 -0.149 -1.259) 1.293 8.820 ( -0.571 -0.578 -0.943) 1.245 8.942 ( 4.243 1.151 0.751) 4.460 9.012 ( 2.162 0.554 -2.294) 3.201 9.054 ( -0.018 -4.153 0.223) 4.159 9.073 ( -1.058 -2.290 -0.382) 2.552 9.355 ( 1.146 6.270 1.059) 6.461 9.411 ( -0.561 4.698 -0.061) 4.731 9.430 ( -0.506 4.105 -0.053) 4.137 9.477 ( -1.768 1.085 -0.882) 2.254 9.702 ( 2.315 0.764 2.586) 3.554 9.777 ( 0.345 -3.035 1.064) 3.235 9.797 ( 0.550 -2.850 0.709) 2.988 9.878 ( -0.330 -6.570 -1.695) 6.793 10.320 ( 0.098 1.421 1.113) 1.808 10.328 ( -0.349 1.592 0.810) 1.820 10.368 ( -0.302 2.430 -0.814) 2.580 10.377 ( -0.698 1.672 -0.723) 1.951 10.381 ( 0.274 -0.926 0.556) 1.114 10.394 ( -0.479 -0.993 1.304) 1.708 10.416 ( 0.559 -0.747 -0.893) 1.291 10.469 ( -2.271 0.155 -1.910) 2.972 11.288 ( 0.015 0.431 0.131) 0.450 11.290 ( 0.003 0.163 0.325) 0.363 11.294 ( 0.398 -0.060 -0.249) 0.473 11.315 ( -0.383 -0.575 -0.586) 0.906 13.544 ( -0.015 0.020 0.049) 0.055 13.544 ( -0.036 0.037 0.007) 0.053 13.544 ( -0.020 -0.013 0.002) 0.024 13.546 ( -0.076 -0.026 -0.036) 0.088 ======================= Grid point 32 (15/27) ======================= q-point: (-0.50 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -2.566 -0.797 2.316) 3.547 0.605 ( 2.566 -0.797 2.316) 3.547 0.644 ( -1.666 -0.763 -0.559) 1.916 0.644 ( 1.666 -0.763 -0.559) 1.916 0.698 ( -1.425 -1.248 -0.499) 1.959 0.698 ( 1.425 -1.248 -0.499) 1.959 0.738 ( -1.306 -1.856 0.009) 2.270 0.738 ( 1.306 -1.856 0.009) 2.270 0.770 ( -1.528 0.804 -0.349) 1.762 0.770 ( 1.528 0.804 -0.349) 1.762 0.827 ( -1.874 1.940 0.008) 2.698 0.827 ( 1.874 1.940 0.008) 2.698 0.865 ( -1.928 1.470 -0.001) 2.425 0.865 ( 1.928 1.470 -0.001) 2.425 0.908 ( -2.293 1.946 -0.113) 3.010 0.908 ( 2.293 1.946 -0.113) 3.010 0.941 ( -1.923 -1.018 0.796) 2.316 0.941 ( 1.923 -1.018 0.796) 2.316 0.971 ( -0.729 -0.774 -0.606) 1.224 0.971 ( 0.729 -0.774 -0.606) 1.224 0.989 ( -1.493 0.815 -1.063) 2.006 0.989 ( 1.493 0.815 -1.063) 2.006 1.037 ( -2.075 -1.711 0.779) 2.800 1.037 ( 2.075 -1.711 0.779) 2.800 1.061 ( -1.707 -1.585 -0.012) 2.330 1.061 ( 1.707 -1.585 -0.012) 2.330 1.100 ( -1.050 -0.399 -0.367) 1.182 1.100 ( 1.050 -0.399 -0.367) 1.182 1.129 ( -1.697 1.162 -0.427) 2.101 1.129 ( 1.697 1.162 -0.427) 2.101 1.165 ( -0.701 0.756 -1.130) 1.529 1.165 ( 0.701 0.756 -1.130) 1.529 1.186 ( -1.821 2.004 0.265) 2.721 1.186 ( 1.821 2.004 0.265) 2.721 1.265 ( -1.094 -0.933 -0.187) 1.450 1.265 ( 1.094 -0.933 -0.187) 1.450 1.298 ( -2.227 -1.803 -0.335) 2.885 1.298 ( 2.227 -1.803 -0.335) 2.885 1.311 ( -1.199 -2.163 -0.408) 2.506 1.311 ( 1.199 -2.163 -0.408) 2.506 1.348 ( -1.285 0.076 0.784) 1.507 1.348 ( 1.285 0.076 0.784) 1.507 1.370 ( -0.781 -0.587 1.135) 1.498 1.370 ( 0.781 -0.587 1.135) 1.498 1.427 ( -6.692 3.134 3.210) 8.056 1.427 ( 6.692 3.134 3.210) 8.056 1.450 ( -4.132 1.329 0.449) 4.363 1.450 ( 4.132 1.329 0.449) 4.363 1.499 ( -1.787 0.133 -0.698) 1.923 1.499 ( 1.787 0.133 -0.698) 1.923 1.525 ( -0.953 1.814 -0.327) 2.075 1.525 ( 0.953 1.814 -0.327) 2.075 1.547 ( -0.792 0.446 -0.525) 1.049 1.547 ( 0.792 0.446 -0.525) 1.049 1.579 ( -1.292 1.191 -0.608) 1.859 1.579 ( 1.292 1.191 -0.608) 1.859 1.594 ( -1.422 0.880 0.437) 1.729 1.594 ( 1.422 0.880 0.437) 1.729 1.635 ( -2.953 1.283 -1.146) 3.417 1.635 ( 2.953 1.283 -1.146) 3.417 1.666 ( -1.541 0.361 0.407) 1.634 1.666 ( 1.541 0.361 0.407) 1.634 1.688 ( -0.788 -1.860 1.230) 2.365 1.688 ( 0.788 -1.860 1.230) 2.365 1.700 ( -0.643 1.602 2.210) 2.804 1.700 ( 0.643 1.602 2.210) 2.804 1.761 ( -1.208 -0.435 -0.331) 1.326 1.761 ( 1.208 -0.435 -0.331) 1.326 1.792 ( -0.591 -1.902 1.567) 2.535 1.792 ( 0.591 -1.902 1.567) 2.535 1.815 ( -1.129 -0.264 -0.946) 1.497 1.815 ( 1.129 -0.264 -0.946) 1.497 1.838 ( -1.113 0.624 -1.196) 1.748 1.838 ( 1.113 0.624 -1.196) 1.748 1.863 ( -1.465 0.105 -0.829) 1.687 1.863 ( 1.465 0.105 -0.829) 1.687 1.888 ( -1.479 -0.104 0.043) 1.484 1.888 ( 1.479 -0.104 0.043) 1.484 1.923 ( -0.782 -0.683 1.586) 1.896 1.923 ( 0.782 -0.683 1.586) 1.896 1.944 ( -1.918 -0.613 0.384) 2.049 1.944 ( 1.918 -0.613 0.384) 2.049 1.979 ( -0.655 -0.298 -1.210) 1.408 1.979 ( 0.655 -0.298 -1.210) 1.408 2.051 ( -2.349 0.144 0.180) 2.360 2.051 ( 2.349 0.144 0.180) 2.360 2.061 ( -1.718 0.218 -0.019) 1.732 2.061 ( 1.718 0.218 -0.019) 1.732 2.108 ( -1.771 0.142 0.357) 1.813 2.108 ( 1.771 0.142 0.357) 1.813 2.142 ( -1.533 -0.328 -1.058) 1.891 2.142 ( 1.533 -0.328 -1.058) 1.891 2.193 ( -0.927 -0.696 -0.772) 1.393 2.193 ( 0.927 -0.696 -0.772) 1.393 2.213 ( -1.068 -0.518 -3.354) 3.558 2.213 ( 1.068 -0.518 -3.354) 3.558 2.280 ( -1.343 0.289 -0.965) 1.679 2.280 ( 1.343 0.289 -0.965) 1.679 2.313 ( -2.117 -0.971 -0.669) 2.423 2.313 ( 2.117 -0.971 -0.669) 2.423 2.360 ( -2.374 0.230 -0.345) 2.410 2.360 ( 2.374 0.230 -0.345) 2.410 2.396 ( -2.065 -0.199 -0.681) 2.183 2.396 ( 2.065 -0.199 -0.681) 2.183 2.416 ( -1.257 1.139 -0.012) 1.696 2.416 ( 1.257 1.139 -0.012) 1.696 2.455 ( -0.833 -0.727 -1.917) 2.213 2.455 ( 0.833 -0.727 -1.917) 2.213 2.509 ( -1.988 0.678 2.726) 3.442 2.509 ( 1.988 0.678 2.726) 3.442 2.611 ( -1.620 -1.983 0.395) 2.591 2.611 ( 1.620 -1.983 0.395) 2.591 2.636 ( -1.521 -0.752 -1.025) 1.983 2.636 ( 1.521 -0.752 -1.025) 1.983 2.673 ( -1.084 0.417 0.235) 1.185 2.673 ( 1.084 0.417 0.235) 1.185 2.706 ( -0.298 1.438 -0.360) 1.512 2.706 ( 0.298 1.438 -0.360) 1.512 2.712 ( -1.827 -0.642 0.338) 1.966 2.712 ( 1.827 -0.642 0.338) 1.966 2.740 ( -1.571 1.636 0.688) 2.370 2.740 ( 1.571 1.636 0.688) 2.370 2.777 ( -0.952 0.136 0.832) 1.271 2.777 ( 0.952 0.136 0.832) 1.271 2.791 ( -1.832 0.858 -1.003) 2.258 2.791 ( 1.832 0.858 -1.003) 2.258 2.815 ( -1.278 1.061 -1.012) 1.945 2.815 ( 1.278 1.061 -1.012) 1.945 2.862 ( -1.713 -0.161 0.716) 1.863 2.862 ( 1.713 -0.161 0.716) 1.863 2.877 ( -1.671 -1.079 0.176) 1.997 2.877 ( 1.671 -1.079 0.176) 1.997 2.968 ( -4.581 1.487 4.839) 6.827 2.968 ( 4.581 1.487 4.839) 6.827 3.068 ( -0.902 -4.035 2.189) 4.678 3.068 ( 0.902 -4.035 2.189) 4.678 3.173 ( -1.103 0.988 -1.472) 2.088 3.173 ( 1.103 0.988 -1.472) 2.088 3.219 ( -2.184 -0.522 -3.017) 3.761 3.219 ( 2.184 -0.522 -3.017) 3.761 3.349 ( -3.454 0.595 1.242) 3.718 3.349 ( 3.454 0.595 1.242) 3.718 3.453 ( -1.818 -0.390 -2.871) 3.420 3.453 ( 1.818 -0.390 -2.871) 3.420 3.504 ( -3.028 -1.848 0.341) 3.563 3.504 ( 3.028 -1.848 0.341) 3.563 3.555 ( -0.387 0.654 0.040) 0.761 3.555 ( 0.387 0.654 0.040) 0.761 3.598 ( -0.551 -0.607 -0.143) 0.832 3.598 ( 0.551 -0.607 -0.143) 0.832 3.630 ( -1.760 -1.010 -1.388) 2.459 3.630 ( 1.760 -1.010 -1.388) 2.459 3.663 ( -1.442 -1.650 0.011) 2.191 3.663 ( 1.442 -1.650 0.011) 2.191 3.755 ( -1.508 -5.212 -3.077) 6.238 3.755 ( 1.508 -5.212 -3.077) 6.238 3.870 ( -0.157 0.145 0.725) 0.756 3.870 ( 0.157 0.145 0.725) 0.756 3.884 ( -1.167 -0.695 0.062) 1.360 3.884 ( 1.167 -0.695 0.062) 1.360 4.335 ( -3.046 4.721 5.234) 7.678 4.335 ( 3.046 4.721 5.234) 7.678 4.469 ( -2.542 9.203 6.293) 11.435 4.469 ( 2.542 9.203 6.293) 11.435 4.558 ( -2.589 -1.483 -2.148) 3.676 4.558 ( 2.589 -1.483 -2.148) 3.676 4.790 ( -5.940 -2.194 -4.775) 7.931 4.790 ( 5.940 -2.194 -4.775) 7.931 5.569 ( -0.250 1.471 2.603) 3.001 5.569 ( 0.250 1.471 2.603) 3.001 5.687 ( -3.467 -3.025 -2.071) 5.046 5.687 ( 3.467 -3.025 -2.071) 5.046 7.908 ( -0.681 0.606 0.186) 0.931 7.908 ( 0.681 0.606 0.186) 0.931 7.959 ( -1.620 -1.626 -2.253) 3.216 7.959 ( 1.620 -1.626 -2.253) 3.216 8.232 ( -1.420 -0.146 0.089) 1.430 8.232 ( 1.420 -0.146 0.089) 1.430 8.240 ( -0.557 -0.304 -0.218) 0.671 8.240 ( 0.557 -0.304 -0.218) 0.671 8.731 ( -0.799 -0.774 1.535) 1.896 8.731 ( 0.799 -0.774 1.535) 1.896 8.742 ( -0.532 -0.622 1.234) 1.481 8.742 ( 0.532 -0.622 1.234) 1.481 8.800 ( -1.161 -0.433 -0.750) 1.449 8.800 ( 1.161 -0.433 -0.750) 1.449 8.810 ( -0.218 -0.849 -0.716) 1.131 8.810 ( 0.218 -0.849 -0.716) 1.131 9.025 ( -3.074 -0.418 0.171) 3.107 9.025 ( 3.074 -0.418 0.171) 3.107 9.047 ( -0.556 -1.030 -0.935) 1.499 9.047 ( 0.556 -1.030 -0.935) 1.499 9.384 ( -1.631 4.725 1.063) 5.110 9.384 ( 1.631 4.725 1.063) 5.110 9.441 ( -1.434 3.514 -1.180) 3.975 9.441 ( 1.434 3.514 -1.180) 3.975 9.753 ( -2.303 -1.507 2.276) 3.572 9.753 ( 2.303 -1.507 2.276) 3.572 9.842 ( -2.794 -4.495 -1.135) 5.413 9.842 ( 2.794 -4.495 -1.135) 5.413 10.322 ( -0.200 1.527 1.040) 1.858 10.322 ( 0.200 1.527 1.040) 1.858 10.366 ( -0.245 1.886 -0.722) 2.034 10.366 ( 0.245 1.886 -0.722) 2.034 10.387 ( -0.273 -0.971 0.738) 1.250 10.387 ( 0.273 -0.971 0.738) 1.250 10.434 ( -1.251 -0.630 -0.997) 1.719 10.434 ( 1.251 -0.630 -0.997) 1.719 11.289 ( -0.080 0.326 0.215) 0.398 11.289 ( 0.080 0.326 0.215) 0.398 11.305 ( -0.577 -0.317 -0.426) 0.784 11.305 ( 0.577 -0.317 -0.426) 0.784 13.543 ( -0.017 0.023 0.023) 0.037 13.543 ( 0.017 0.023 0.023) 0.037 13.544 ( -0.039 -0.013 -0.010) 0.042 13.544 ( 0.039 -0.013 -0.010) 0.042 ======================= Grid point 35 (16/27) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 0.000 -7.617 3.156) 8.245 0.532 ( 0.000 7.617 3.156) 8.245 0.659 ( 0.000 -4.193 0.322) 4.205 0.659 ( 0.000 4.193 0.322) 4.205 0.692 ( 0.000 -6.906 2.165) 7.237 0.692 ( 0.000 6.906 2.165) 7.237 0.705 ( 0.000 -1.510 -1.418) 2.071 0.705 ( 0.000 1.510 -1.418) 2.071 0.734 ( 0.000 -3.826 -3.397) 5.117 0.734 ( 0.000 3.826 -3.397) 5.117 0.841 ( 0.000 -1.387 0.417) 1.448 0.841 ( 0.000 1.387 0.417) 1.448 0.875 ( 0.000 -2.953 0.881) 3.081 0.875 ( 0.000 2.953 0.881) 3.081 0.902 ( 0.000 -1.448 -1.746) 2.268 0.902 ( 0.000 1.448 -1.746) 2.268 0.928 ( 0.000 -0.378 -1.067) 1.132 0.928 ( 0.000 0.378 -1.067) 1.132 0.951 ( 0.000 -1.535 -0.455) 1.601 0.951 ( 0.000 1.535 -0.455) 1.601 0.988 ( 0.000 -2.386 2.744) 3.636 0.988 ( 0.000 2.386 2.744) 3.636 1.018 ( 0.000 -2.345 0.598) 2.420 1.018 ( 0.000 2.345 0.598) 2.420 1.084 ( 0.000 -1.660 -2.406) 2.923 1.084 ( 0.000 1.660 -2.406) 2.923 1.093 ( 0.000 -0.323 0.153) 0.357 1.093 ( 0.000 0.323 0.153) 0.357 1.133 ( 0.000 -2.367 3.075) 3.881 1.133 ( 0.000 2.367 3.075) 3.881 1.176 ( 0.000 -6.111 3.031) 6.821 1.176 ( 0.000 6.111 3.031) 6.821 1.183 ( 0.000 -4.155 0.185) 4.159 1.183 ( 0.000 4.155 0.185) 4.159 1.223 ( 0.000 -2.250 0.214) 2.260 1.223 ( 0.000 2.250 0.214) 2.260 1.253 ( 0.000 -2.202 0.824) 2.351 1.253 ( 0.000 2.202 0.824) 2.351 1.286 ( 0.000 -1.614 -0.230) 1.630 1.286 ( 0.000 1.614 -0.230) 1.630 1.350 ( 0.000 -1.601 3.106) 3.494 1.350 ( 0.000 1.601 3.106) 3.494 1.361 ( 0.000 -0.007 2.742) 2.742 1.361 ( 0.000 0.007 2.742) 2.742 1.421 ( 0.000 -1.401 -3.754) 4.007 1.421 ( 0.000 1.401 -3.754) 4.007 1.477 ( 0.000 -1.346 -0.427) 1.412 1.477 ( 0.000 1.346 -0.427) 1.412 1.483 ( 0.000 -2.163 -2.916) 3.630 1.483 ( 0.000 2.163 -2.916) 3.630 1.512 ( 0.000 -0.966 -0.822) 1.268 1.512 ( 0.000 0.966 -0.822) 1.268 1.572 ( 0.000 -0.202 1.763) 1.774 1.572 ( 0.000 0.202 1.763) 1.774 1.600 ( 0.000 -1.059 -1.776) 2.068 1.600 ( 0.000 1.059 -1.776) 2.068 1.609 ( 0.000 -0.605 -1.080) 1.238 1.609 ( 0.000 0.605 -1.080) 1.238 1.629 ( 0.000 -0.177 0.453) 0.487 1.629 ( 0.000 0.177 0.453) 0.487 1.669 ( 0.000 -0.437 -1.879) 1.929 1.669 ( 0.000 0.437 -1.879) 1.929 1.687 ( 0.000 -1.058 1.744) 2.040 1.687 ( 0.000 1.058 1.744) 2.040 1.742 ( 0.000 -1.247 0.059) 1.248 1.742 ( 0.000 1.247 0.059) 1.248 1.766 ( 0.000 -1.868 -1.246) 2.246 1.766 ( 0.000 1.868 -1.246) 2.246 1.819 ( 0.000 -0.916 -1.374) 1.651 1.819 ( 0.000 0.916 -1.374) 1.651 1.824 ( 0.000 -1.330 2.455) 2.792 1.824 ( 0.000 1.330 2.455) 2.792 1.838 ( 0.000 -1.442 1.643) 2.186 1.838 ( 0.000 1.442 1.643) 2.186 1.857 ( 0.000 -0.141 -0.352) 0.379 1.857 ( 0.000 0.141 -0.352) 0.379 1.893 ( 0.000 -1.216 -0.893) 1.509 1.893 ( 0.000 1.216 -0.893) 1.509 1.907 ( 0.000 -0.355 0.723) 0.805 1.907 ( 0.000 0.355 0.723) 0.805 1.957 ( 0.000 -0.860 -1.080) 1.381 1.957 ( 0.000 0.860 -1.080) 1.381 1.996 ( 0.000 -3.888 -0.672) 3.945 1.996 ( 0.000 3.888 -0.672) 3.945 2.037 ( 0.000 -0.864 1.335) 1.590 2.037 ( 0.000 0.864 1.335) 1.590 2.051 ( 0.000 -1.559 -0.239) 1.577 2.051 ( 0.000 1.559 -0.239) 1.577 2.103 ( 0.000 -0.599 0.505) 0.784 2.103 ( 0.000 0.599 0.505) 0.784 2.137 ( 0.000 -2.446 0.400) 2.478 2.137 ( 0.000 2.446 0.400) 2.478 2.157 ( 0.000 -2.086 -1.110) 2.363 2.157 ( 0.000 2.086 -1.110) 2.363 2.224 ( 0.000 -0.109 -3.791) 3.793 2.224 ( 0.000 0.109 -3.791) 3.793 2.250 ( 0.000 -0.187 -2.345) 2.353 2.250 ( 0.000 0.187 -2.345) 2.353 2.282 ( 0.000 -1.386 -3.595) 3.853 2.282 ( 0.000 1.386 -3.595) 3.853 2.364 ( 0.000 -2.778 1.344) 3.086 2.364 ( 0.000 2.778 1.344) 3.086 2.374 ( 0.000 -0.951 1.123) 1.472 2.374 ( 0.000 0.951 1.123) 1.472 2.475 ( 0.000 -0.185 2.697) 2.703 2.475 ( 0.000 0.185 2.697) 2.703 2.483 ( 0.000 -0.876 1.587) 1.812 2.483 ( 0.000 0.876 1.587) 1.812 2.543 ( 0.000 -0.426 0.856) 0.956 2.543 ( 0.000 0.426 0.856) 0.956 2.597 ( 0.000 -0.055 0.505) 0.508 2.597 ( 0.000 0.055 0.505) 0.508 2.606 ( 0.000 -0.077 0.697) 0.701 2.606 ( 0.000 0.077 0.697) 0.701 2.627 ( 0.000 -1.544 -0.283) 1.569 2.627 ( 0.000 1.544 -0.283) 1.569 2.676 ( 0.000 -2.449 1.839) 3.063 2.676 ( 0.000 2.449 1.839) 3.063 2.686 ( 0.000 -0.353 -0.308) 0.468 2.686 ( 0.000 0.353 -0.308) 0.468 2.730 ( 0.000 -1.587 -1.109) 1.936 2.730 ( 0.000 1.587 -1.109) 1.936 2.748 ( 0.000 -1.171 0.272) 1.202 2.748 ( 0.000 1.171 0.272) 1.202 2.784 ( 0.000 -3.520 0.747) 3.599 2.784 ( 0.000 3.520 0.747) 3.599 2.802 ( 0.000 -1.020 -2.455) 2.658 2.802 ( 0.000 1.020 -2.455) 2.658 2.842 ( 0.000 -0.488 3.139) 3.176 2.842 ( 0.000 0.488 3.139) 3.176 2.922 ( 0.000 -0.514 1.475) 1.562 2.922 ( 0.000 0.514 1.475) 1.562 3.009 ( 0.000 -2.747 0.787) 2.858 3.009 ( 0.000 2.747 0.787) 2.858 3.125 ( 0.000 -0.107 4.153) 4.154 3.125 ( 0.000 0.107 4.153) 4.154 3.145 ( 0.000 -0.330 -2.372) 2.395 3.145 ( 0.000 0.330 -2.372) 2.395 3.265 ( 0.000 -2.401 -1.393) 2.775 3.265 ( 0.000 2.401 -1.393) 2.775 3.291 ( 0.000 -2.566 0.907) 2.722 3.291 ( 0.000 2.566 0.907) 2.722 3.444 ( 0.000 -2.187 -4.487) 4.991 3.444 ( 0.000 2.187 -4.487) 4.991 3.527 ( 0.000 -0.553 -0.032) 0.554 3.527 ( 0.000 0.553 -0.032) 0.554 3.543 ( 0.000 -0.301 0.236) 0.383 3.543 ( 0.000 0.301 0.236) 0.383 3.625 ( 0.000 -1.475 0.305) 1.506 3.625 ( 0.000 1.475 0.305) 1.506 3.661 ( 0.000 -0.418 -3.322) 3.349 3.661 ( 0.000 0.418 -3.322) 3.349 3.687 ( 0.000 -0.053 -2.479) 2.480 3.687 ( 0.000 0.053 -2.479) 2.480 3.700 ( 0.000 -3.952 -3.449) 5.245 3.700 ( 0.000 3.952 -3.449) 5.245 3.860 ( 0.000 -0.460 1.340) 1.417 3.860 ( 0.000 0.460 1.340) 1.417 3.884 ( 0.000 -1.708 1.055) 2.007 3.884 ( 0.000 1.708 1.055) 2.007 4.335 ( 0.000 -3.551 4.938) 6.082 4.335 ( 0.000 3.551 4.938) 6.082 4.500 ( 0.000 -4.051 9.228) 10.078 4.500 ( 0.000 4.051 9.228) 10.078 4.586 ( 0.000 -5.327 -4.928) 7.257 4.586 ( 0.000 5.327 -4.928) 7.257 4.782 ( 0.000 -10.065 -3.245) 10.575 4.782 ( 0.000 10.065 -3.245) 10.575 5.575 ( 0.000 -0.665 1.791) 1.910 5.575 ( 0.000 0.665 1.791) 1.910 5.661 ( 0.000 -5.921 -1.723) 6.167 5.661 ( 0.000 5.921 -1.723) 6.167 7.880 ( 0.000 -0.369 -0.199) 0.419 7.880 ( 0.000 0.369 -0.199) 0.419 7.905 ( 0.000 -0.859 -0.595) 1.045 7.905 ( 0.000 0.859 -0.595) 1.045 8.248 ( 0.000 -1.079 0.401) 1.151 8.248 ( 0.000 1.079 0.401) 1.151 8.273 ( 0.000 -0.833 -0.533) 0.988 8.273 ( 0.000 0.833 -0.533) 0.988 8.709 ( 0.000 -0.369 2.174) 2.205 8.709 ( 0.000 0.369 2.174) 2.205 8.731 ( 0.000 -0.639 1.341) 1.486 8.731 ( 0.000 0.639 1.341) 1.486 8.771 ( 0.000 -0.744 -0.921) 1.184 8.771 ( 0.000 0.744 -0.921) 1.184 8.819 ( 0.000 -0.266 -1.753) 1.773 8.819 ( 0.000 0.266 -1.753) 1.773 8.951 ( 0.000 -4.352 1.328) 4.550 8.951 ( 0.000 4.352 1.328) 4.550 9.022 ( 0.000 -2.795 -1.363) 3.110 9.022 ( 0.000 2.795 -1.363) 3.110 9.458 ( 0.000 -3.991 0.925) 4.097 9.458 ( 0.000 3.991 0.925) 4.097 9.483 ( 0.000 -0.205 -0.129) 0.242 9.483 ( 0.000 0.205 -0.129) 0.242 9.740 ( 0.000 -2.192 0.673) 2.293 9.740 ( 0.000 2.192 0.673) 2.293 9.748 ( 0.000 -4.365 0.354) 4.379 9.748 ( 0.000 4.365 0.354) 4.379 10.352 ( 0.000 -1.626 0.533) 1.711 10.352 ( 0.000 1.626 0.533) 1.711 10.370 ( 0.000 -1.984 1.715) 2.623 10.370 ( 0.000 1.984 1.715) 2.623 10.393 ( 0.000 -0.937 -1.032) 1.394 10.393 ( 0.000 0.937 -1.032) 1.394 10.460 ( 0.000 -3.739 -1.942) 4.213 10.460 ( 0.000 3.739 -1.942) 4.213 11.290 ( 0.000 -0.058 -0.009) 0.059 11.290 ( 0.000 0.058 -0.009) 0.059 11.303 ( 0.000 -0.838 -0.318) 0.896 11.303 ( 0.000 0.838 -0.318) 0.896 13.544 ( 0.000 -0.024 0.035) 0.042 13.544 ( 0.000 0.024 0.035) 0.042 13.546 ( 0.000 -0.059 -0.023) 0.063 13.546 ( 0.000 0.059 -0.023) 0.063 ======================= Grid point 37 (17/27) ======================= q-point: ( 0.25 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( 3.363 -5.058 1.536) 6.265 0.578 ( 3.363 5.058 1.536) 6.265 0.642 ( -0.596 -4.144 0.687) 4.242 0.642 ( -0.596 4.144 0.687) 4.242 0.672 ( -0.625 -3.514 -0.340) 3.586 0.672 ( -0.625 3.514 -0.340) 3.586 0.706 ( -1.262 -2.466 -2.060) 3.452 0.706 ( -1.262 2.466 -2.060) 3.452 0.758 ( 3.608 -2.881 0.962) 4.716 0.758 ( 3.608 2.881 0.962) 4.716 0.828 ( -1.186 -2.794 0.753) 3.127 0.828 ( -1.186 2.794 0.753) 3.127 0.880 ( 0.451 -2.433 0.057) 2.475 0.880 ( 0.451 2.433 0.057) 2.475 0.921 ( 0.681 -1.992 0.945) 2.307 0.921 ( 0.681 1.992 0.945) 2.307 0.950 ( 0.758 -0.734 0.253) 1.085 0.950 ( 0.758 0.734 0.253) 1.085 0.956 ( 0.787 -1.919 -2.429) 3.194 0.956 ( 0.787 1.919 -2.429) 3.194 0.998 ( 0.462 -1.420 -0.078) 1.495 0.998 ( 0.462 1.420 -0.078) 1.495 1.006 ( -1.335 -1.651 1.413) 2.550 1.006 ( -1.335 1.651 1.413) 2.550 1.081 ( -0.132 -1.722 -1.543) 2.316 1.081 ( -0.132 1.722 -1.543) 2.316 1.105 ( -0.795 -2.532 0.634) 2.729 1.105 ( -0.795 2.532 0.634) 2.729 1.154 ( -0.423 -0.043 -1.486) 1.546 1.154 ( -0.423 0.043 -1.486) 1.546 1.175 ( 0.556 -1.302 -0.228) 1.434 1.175 ( 0.556 1.302 -0.228) 1.434 1.191 ( 0.490 -1.716 0.369) 1.822 1.191 ( 0.490 1.716 0.369) 1.822 1.234 ( 2.720 -4.087 2.853) 5.679 1.234 ( 2.720 4.087 2.853) 5.679 1.274 ( -0.663 -2.353 0.386) 2.474 1.274 ( -0.663 2.353 0.386) 2.474 1.290 ( 4.069 -1.853 2.045) 4.916 1.290 ( 4.069 1.853 2.045) 4.916 1.312 ( -0.990 -0.152 0.960) 1.387 1.312 ( -0.990 0.152 0.960) 1.387 1.350 ( -1.179 -1.454 0.443) 1.924 1.350 ( -1.179 1.454 0.443) 1.924 1.423 ( -0.411 -1.062 -2.108) 2.396 1.423 ( -0.411 1.062 -2.108) 2.396 1.471 ( -0.246 -0.946 -1.345) 1.663 1.471 ( -0.246 0.946 -1.345) 1.663 1.488 ( 0.860 -0.598 1.219) 1.607 1.488 ( 0.860 0.598 1.219) 1.607 1.539 ( 1.783 -0.206 -1.667) 2.450 1.539 ( 1.783 0.206 -1.667) 2.450 1.576 ( 1.051 -0.835 0.420) 1.407 1.576 ( 1.051 0.835 0.420) 1.407 1.588 ( -1.090 -1.239 -0.568) 1.745 1.588 ( -1.090 1.239 -0.568) 1.745 1.612 ( -0.684 -0.451 -1.581) 1.780 1.612 ( -0.684 0.451 -1.581) 1.780 1.644 ( 1.007 -1.232 2.026) 2.576 1.644 ( 1.007 1.232 2.026) 2.576 1.658 ( -0.968 -0.936 -0.327) 1.386 1.658 ( -0.968 0.936 -0.327) 1.386 1.698 ( -0.413 -1.244 0.471) 1.392 1.698 ( -0.413 1.244 0.471) 1.392 1.737 ( 0.240 -0.689 0.300) 0.789 1.737 ( 0.240 0.689 0.300) 0.789 1.752 ( -0.032 -1.743 -0.352) 1.779 1.752 ( -0.032 1.743 -0.352) 1.779 1.787 ( -1.766 -1.484 0.625) 2.390 1.787 ( -1.766 1.484 0.625) 2.390 1.825 ( -1.664 -1.681 0.442) 2.406 1.825 ( -1.664 1.681 0.442) 2.406 1.840 ( 0.455 -1.033 -0.149) 1.139 1.840 ( 0.455 1.033 -0.149) 1.139 1.859 ( -0.900 -2.367 -0.023) 2.532 1.859 ( -0.900 2.367 -0.023) 2.532 1.887 ( 0.499 -1.239 -0.595) 1.462 1.887 ( 0.499 1.239 -0.595) 1.462 1.932 ( 1.015 -1.614 0.688) 2.027 1.932 ( 1.015 1.614 0.688) 2.027 1.960 ( -1.044 -1.237 0.202) 1.632 1.960 ( -1.044 1.237 0.202) 1.632 1.970 ( -0.744 -2.200 0.130) 2.326 1.970 ( -0.744 2.200 0.130) 2.326 2.015 ( -0.129 -1.689 0.062) 1.695 2.015 ( -0.129 1.689 0.062) 1.695 2.073 ( 0.637 -0.548 0.067) 0.843 2.073 ( 0.637 0.548 0.067) 0.843 2.111 ( 0.764 -0.571 -0.200) 0.975 2.111 ( 0.764 0.571 -0.200) 0.975 2.136 ( 0.078 -1.437 -0.162) 1.448 2.136 ( 0.078 1.437 -0.162) 1.448 2.187 ( 1.205 -0.558 -1.496) 2.001 2.187 ( 1.205 0.558 -1.496) 2.001 2.207 ( -0.890 -1.252 -4.059) 4.340 2.207 ( -0.890 1.252 -4.059) 4.340 2.249 ( 0.741 -0.673 -2.287) 2.497 2.249 ( 0.741 0.673 -2.287) 2.497 2.318 ( 2.231 -2.063 -3.187) 4.404 2.318 ( 2.231 2.063 -3.187) 4.404 2.350 ( -0.501 -1.908 0.504) 2.036 2.350 ( -0.501 1.908 0.504) 2.036 2.365 ( -0.313 -2.014 0.217) 2.050 2.365 ( -0.313 2.014 0.217) 2.050 2.455 ( -1.539 -0.408 1.361) 2.094 2.455 ( -1.539 0.408 1.361) 2.094 2.470 ( -1.465 -1.341 0.824) 2.150 2.470 ( -1.465 1.341 0.824) 2.150 2.536 ( 0.124 -1.465 1.193) 1.893 2.536 ( 0.124 1.465 1.193) 1.893 2.580 ( -1.037 -1.258 1.050) 1.940 2.580 ( -1.037 1.258 1.050) 1.940 2.649 ( 0.639 -0.548 1.533) 1.749 2.649 ( 0.639 0.548 1.533) 1.749 2.658 ( 0.444 -2.406 0.748) 2.558 2.658 ( 0.444 2.406 0.748) 2.558 2.687 ( 2.023 -0.761 0.398) 2.198 2.687 ( 2.023 0.761 0.398) 2.198 2.694 ( 3.335 -0.749 1.569) 3.761 2.694 ( 3.335 0.749 1.569) 3.761 2.745 ( 0.366 -0.830 -0.535) 1.053 2.745 ( 0.366 0.830 -0.535) 1.053 2.762 ( 0.989 -2.041 -0.567) 2.338 2.762 ( 0.989 2.041 -0.567) 2.338 2.792 ( 0.242 -0.717 -0.957) 1.220 2.792 ( 0.242 0.717 -0.957) 1.220 2.812 ( 1.223 -1.339 -0.319) 1.841 2.812 ( 1.223 1.339 -0.319) 1.841 2.838 ( 0.093 -1.330 2.310) 2.667 2.838 ( 0.093 1.330 2.310) 2.667 2.898 ( -1.704 -0.348 0.757) 1.897 2.898 ( -1.704 0.348 0.757) 1.897 2.995 ( -1.135 -2.991 2.290) 3.934 2.995 ( -1.135 2.991 2.290) 3.934 3.078 ( -3.475 -0.872 2.928) 4.626 3.078 ( -3.475 0.872 2.928) 4.626 3.165 ( 1.119 -0.476 -1.935) 2.285 3.165 ( 1.119 0.476 -1.935) 2.285 3.238 ( -2.129 -2.264 -1.905) 3.645 3.238 ( -2.129 2.264 -1.905) 3.645 3.321 ( 2.538 -2.630 1.262) 3.866 3.321 ( 2.538 2.630 1.262) 3.866 3.440 ( -1.071 -1.119 -1.293) 2.018 3.440 ( -1.071 1.119 -1.293) 2.018 3.516 ( -0.602 -1.317 -1.557) 2.127 3.516 ( -0.602 1.317 -1.557) 2.127 3.553 ( 0.646 -0.830 0.143) 1.062 3.553 ( 0.646 0.830 0.143) 1.062 3.606 ( -1.494 -1.052 -0.794) 1.993 3.606 ( -1.494 1.052 -0.794) 1.993 3.639 ( -0.742 -2.320 -3.675) 4.409 3.639 ( -0.742 2.320 -3.675) 4.409 3.678 ( -1.407 -1.089 -1.298) 2.202 3.678 ( -1.407 1.089 -1.298) 2.202 3.691 ( -0.926 -3.902 -2.274) 4.610 3.691 ( -0.926 3.902 -2.274) 4.610 3.864 ( 0.409 -0.241 0.896) 1.014 3.864 ( 0.409 0.241 0.896) 1.014 3.881 ( -0.269 -1.162 0.723) 1.395 3.881 ( -0.269 1.162 0.723) 1.395 4.369 ( 3.111 -4.157 4.042) 6.580 4.369 ( 3.111 4.157 4.042) 6.580 4.495 ( -1.456 -4.800 5.087) 7.144 4.495 ( -1.456 4.800 5.087) 7.144 4.612 ( 3.099 -6.469 -1.436) 7.316 4.612 ( 3.099 6.469 -1.436) 7.316 4.760 ( -2.256 -9.535 -2.160) 10.033 4.760 ( -2.256 9.535 -2.160) 10.033 5.587 ( 1.175 -1.446 1.094) 2.160 5.587 ( 1.175 1.446 1.094) 2.160 5.649 ( -1.167 -5.289 -1.399) 5.594 5.649 ( -1.167 5.289 -1.399) 5.594 7.903 ( 1.708 -0.864 -0.599) 2.005 7.903 ( 1.708 0.864 -0.599) 2.005 7.918 ( 0.985 -1.327 -0.678) 1.786 7.918 ( 0.985 1.327 -0.678) 1.786 8.239 ( -0.718 -1.009 0.246) 1.263 8.239 ( -0.718 1.009 0.246) 1.263 8.256 ( -1.420 -0.675 -0.331) 1.607 8.256 ( -1.420 0.675 -0.331) 1.607 8.717 ( 0.619 -0.423 1.991) 2.128 8.717 ( 0.619 0.423 1.991) 2.128 8.733 ( -0.000 -0.332 1.434) 1.472 8.733 ( -0.000 0.332 1.434) 1.472 8.780 ( 0.808 -0.758 -0.980) 1.479 8.780 ( 0.808 0.758 -0.980) 1.479 8.812 ( -0.591 -0.253 -1.519) 1.650 8.812 ( -0.591 0.253 -1.519) 1.650 8.982 ( 2.591 -2.959 0.780) 4.009 8.982 ( 2.591 2.959 0.780) 4.009 9.033 ( 0.646 -1.608 -1.193) 2.104 9.033 ( 0.646 1.608 -1.193) 2.104 9.460 ( 0.179 -3.455 0.695) 3.529 9.460 ( 0.179 3.455 0.695) 3.529 9.477 ( -0.576 -0.817 0.020) 0.999 9.477 ( -0.576 0.817 0.020) 0.999 9.747 ( 0.597 -1.413 0.528) 1.623 9.747 ( 0.597 1.413 0.528) 1.623 9.755 ( 0.452 -4.682 0.218) 4.709 9.755 ( 0.452 4.682 0.218) 4.709 10.353 ( 0.105 -1.736 0.580) 1.833 10.353 ( 0.105 1.736 0.580) 1.833 10.365 ( -0.393 -1.912 1.384) 2.393 10.365 ( -0.393 1.912 1.384) 2.393 10.395 ( 0.244 -1.210 -0.915) 1.536 10.395 ( 0.244 1.210 -0.915) 1.536 10.438 ( -1.740 -2.919 -1.364) 3.662 10.438 ( -1.740 2.919 -1.364) 3.662 11.292 ( 0.204 -0.081 -0.040) 0.223 11.292 ( 0.204 0.081 -0.040) 0.223 11.302 ( -0.166 -0.722 -0.259) 0.785 11.302 ( -0.166 0.722 -0.259) 0.785 13.544 ( -0.017 -0.021 0.027) 0.038 13.544 ( -0.017 0.021 0.027) 0.038 13.545 ( -0.056 -0.045 -0.015) 0.073 13.545 ( -0.056 0.045 -0.015) 0.073 ======================= Grid point 39 (18/27) ======================= q-point: (-0.50 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( -1.409 -2.421 -0.048) 2.801 0.623 ( 1.157 -2.387 -0.048) 2.653 0.623 ( -1.157 2.387 -0.048) 2.653 0.623 ( 1.409 2.421 -0.048) 2.801 0.688 ( -0.837 -2.695 -2.592) 3.832 0.688 ( 0.675 -2.684 -2.592) 3.792 0.688 ( -0.675 2.684 -2.592) 3.792 0.688 ( 0.837 2.695 -2.592) 3.832 0.822 ( -1.527 -3.036 2.508) 4.224 0.822 ( 1.509 -3.034 2.508) 4.216 0.822 ( -1.509 3.034 2.508) 4.216 0.822 ( 1.527 3.036 2.508) 4.224 0.901 ( -3.790 -1.899 1.676) 4.558 0.901 ( -0.764 -0.400 1.676) 1.885 0.901 ( 0.764 0.400 1.676) 1.885 0.901 ( 3.790 1.899 1.676) 4.558 0.942 ( -1.107 -1.854 -0.224) 2.171 0.942 ( 1.107 -1.854 -0.224) 2.171 0.942 ( -1.107 1.854 -0.224) 2.171 0.942 ( 1.107 1.854 -0.224) 2.171 1.002 ( -0.703 -1.086 -0.211) 1.311 1.002 ( -0.570 -1.067 -0.211) 1.228 1.002 ( 0.570 1.067 -0.211) 1.228 1.002 ( 0.703 1.086 -0.211) 1.311 1.076 ( -0.611 -2.034 0.162) 2.130 1.076 ( 0.559 -2.030 0.162) 2.112 1.076 ( -0.559 2.030 0.162) 2.112 1.076 ( 0.611 2.034 0.162) 2.130 1.170 ( -2.074 -1.286 -0.273) 2.455 1.170 ( 1.059 -0.927 -0.273) 1.434 1.170 ( -1.059 0.927 -0.273) 1.434 1.170 ( 2.074 1.286 -0.273) 2.455 1.234 ( -1.903 -2.435 -1.228) 3.326 1.234 ( 1.672 -2.393 -1.228) 3.167 1.234 ( -1.672 2.393 -1.228) 3.167 1.234 ( 1.903 2.435 -1.228) 3.326 1.268 ( -3.015 -0.304 -1.439) 3.355 1.268 ( -2.954 -0.034 -1.439) 3.286 1.268 ( 2.954 0.034 -1.439) 3.286 1.268 ( 3.015 0.304 -1.439) 3.355 1.358 ( -1.214 -0.586 0.429) 1.414 1.358 ( -0.771 -0.351 0.429) 0.950 1.358 ( 0.771 0.351 0.429) 0.950 1.358 ( 1.214 0.586 0.429) 1.414 1.470 ( -2.114 -0.445 0.327) 2.185 1.470 ( -2.105 0.435 0.327) 2.175 1.470 ( 2.105 -0.435 0.327) 2.175 1.470 ( 2.114 0.445 0.327) 2.185 1.521 ( -4.953 -1.928 0.769) 5.371 1.521 ( -3.455 0.755 0.769) 3.619 1.521 ( 3.455 -0.755 0.769) 3.619 1.521 ( 4.953 1.928 0.769) 5.371 1.576 ( -1.629 -2.935 -0.205) 3.363 1.576 ( 1.513 -2.919 -0.205) 3.294 1.576 ( -1.513 2.919 -0.205) 3.294 1.576 ( 1.629 2.935 -0.205) 3.363 1.612 ( -2.024 -0.750 -0.104) 2.161 1.612 ( -1.657 0.473 -0.104) 1.726 1.612 ( 1.657 -0.473 -0.104) 1.726 1.612 ( 2.024 0.750 -0.104) 2.161 1.677 ( -1.691 -0.781 1.481) 2.380 1.677 ( -0.861 0.284 1.481) 1.737 1.677 ( 0.861 -0.284 1.481) 1.737 1.677 ( 1.691 0.781 1.481) 2.380 1.743 ( -0.211 -2.382 1.505) 2.825 1.743 ( 0.199 -2.381 1.505) 2.824 1.743 ( -0.199 2.381 1.505) 2.824 1.743 ( 0.211 2.382 1.505) 2.825 1.788 ( -1.532 -1.735 -0.977) 2.512 1.788 ( 0.705 -1.596 -0.977) 2.000 1.788 ( -0.705 1.596 -0.977) 2.000 1.788 ( 1.532 1.735 -0.977) 2.512 1.856 ( -1.099 -0.780 -1.915) 2.342 1.856 ( 0.921 -0.720 -1.915) 2.244 1.856 ( -0.921 0.720 -1.915) 2.244 1.856 ( 1.099 0.780 -1.915) 2.342 1.896 ( -1.833 -1.331 1.133) 2.533 1.896 ( 1.638 -1.266 1.133) 2.361 1.896 ( -1.638 1.266 1.133) 2.361 1.896 ( 1.833 1.331 1.133) 2.533 1.957 ( -0.713 -1.624 1.120) 2.098 1.957 ( 0.634 -1.616 1.120) 2.066 1.957 ( -0.634 1.616 1.120) 2.066 1.957 ( 0.713 1.624 1.120) 2.098 2.057 ( -2.005 -0.396 -0.421) 2.087 2.057 ( -1.849 -0.084 -0.421) 1.899 2.057 ( 1.849 0.084 -0.421) 1.899 2.057 ( 2.005 0.396 -0.421) 2.087 2.128 ( -0.590 -1.475 0.037) 1.589 2.128 ( 0.254 -1.451 0.037) 1.473 2.128 ( -0.254 1.451 0.037) 1.473 2.128 ( 0.590 1.475 0.037) 1.589 2.193 ( -0.616 -1.051 -3.609) 3.809 2.193 ( 0.287 -1.015 -3.609) 3.760 2.193 ( -0.287 1.015 -3.609) 3.760 2.193 ( 0.616 1.051 -3.609) 3.809 2.295 ( -2.479 -0.818 -1.001) 2.796 2.295 ( -2.069 -0.449 -1.001) 2.342 2.295 ( 2.069 0.449 -1.001) 2.342 2.295 ( 2.479 0.818 -1.001) 2.796 2.376 ( -0.898 -1.421 -1.861) 2.508 2.376 ( 0.551 -1.376 -1.861) 2.379 2.376 ( -0.551 1.376 -1.861) 2.379 2.376 ( 0.898 1.421 -1.861) 2.508 2.435 ( -0.720 -0.795 0.221) 1.095 2.435 ( 0.067 -0.709 0.221) 0.746 2.435 ( -0.067 0.709 0.221) 0.746 2.435 ( 0.720 0.795 0.221) 1.095 2.555 ( -1.416 -3.148 1.334) 3.701 2.555 ( 1.412 -3.148 1.334) 3.699 2.555 ( -1.412 3.148 1.334) 3.699 2.555 ( 1.416 3.148 1.334) 3.701 2.654 ( -0.657 -1.806 2.282) 2.984 2.654 ( 0.628 -1.804 2.282) 2.976 2.654 ( -0.628 1.804 2.282) 2.976 2.654 ( 0.657 1.806 2.282) 2.984 2.716 ( -1.486 -0.708 0.224) 1.661 2.716 ( -0.604 -0.201 0.224) 0.675 2.716 ( 0.604 0.201 0.224) 0.675 2.716 ( 1.486 0.708 0.224) 1.661 2.769 ( -1.508 -1.474 0.173) 2.116 2.769 ( 1.459 -1.461 0.173) 2.072 2.769 ( -1.459 1.461 0.173) 2.072 2.769 ( 1.508 1.474 0.173) 2.116 2.815 ( -1.402 -1.612 0.253) 2.152 2.815 ( 0.863 -1.515 0.253) 1.762 2.815 ( -0.863 1.515 0.253) 1.762 2.815 ( 1.402 1.612 0.253) 2.152 2.858 ( -3.201 -0.097 -0.254) 3.213 2.858 ( -3.201 0.096 -0.254) 3.213 2.858 ( 3.201 -0.096 -0.254) 3.213 2.858 ( 3.201 0.097 -0.254) 3.213 3.007 ( -2.961 -2.376 3.647) 5.264 3.007 ( 2.926 -2.365 3.647) 5.240 3.007 ( -2.926 2.365 3.647) 5.240 3.007 ( 2.961 2.376 3.647) 5.264 3.195 ( -1.936 -1.538 -2.663) 3.634 3.195 ( 1.935 -1.537 -2.663) 3.633 3.195 ( -1.935 1.537 -2.663) 3.633 3.195 ( 1.936 1.538 -2.663) 3.634 3.385 ( -3.538 -3.329 1.782) 5.175 3.385 ( 3.078 -3.213 1.782) 4.793 3.385 ( -3.078 3.213 1.782) 4.793 3.385 ( 3.538 3.329 1.782) 5.175 3.534 ( -1.975 -2.491 -2.111) 3.816 3.534 ( 1.886 -2.474 -2.111) 3.759 3.534 ( -1.886 2.474 -2.111) 3.759 3.534 ( 1.975 2.491 -2.111) 3.816 3.613 ( -1.931 -1.433 -1.501) 2.835 3.613 ( 1.216 -1.221 -1.501) 2.285 3.613 ( -1.216 1.221 -1.501) 2.285 3.613 ( 1.931 1.433 -1.501) 2.835 3.669 ( -0.947 -2.782 -1.676) 3.383 3.669 ( 0.946 -2.782 -1.676) 3.383 3.669 ( -0.946 2.782 -1.676) 3.383 3.669 ( 0.947 2.782 -1.676) 3.383 3.874 ( -0.434 -0.350 0.539) 0.776 3.874 ( 0.337 -0.322 0.539) 0.713 3.874 ( -0.337 0.322 0.539) 0.713 3.874 ( 0.434 0.350 0.539) 0.776 4.440 ( -3.117 -5.413 2.899) 6.887 4.440 ( 2.193 -5.299 2.899) 6.426 4.440 ( -2.193 5.299 2.899) 6.426 4.440 ( 3.117 5.413 2.899) 6.887 4.693 ( -4.076 -8.015 -0.298) 8.997 4.693 ( 3.842 -7.986 -0.298) 8.867 4.693 ( -3.842 7.986 -0.298) 8.867 4.693 ( 4.076 8.015 -0.298) 8.997 5.618 ( -1.755 -3.470 -0.345) 3.903 5.618 ( 1.745 -3.468 -0.345) 3.898 5.618 ( -1.745 3.468 -0.345) 3.898 5.618 ( 1.755 3.470 -0.345) 3.903 7.927 ( -0.388 -1.389 -0.788) 1.643 7.927 ( 0.387 -1.389 -0.788) 1.643 7.927 ( -0.387 1.389 -0.788) 1.643 7.927 ( 0.388 1.389 -0.788) 1.643 8.233 ( -0.419 -0.266 -0.018) 0.497 8.233 ( -0.062 -0.166 -0.018) 0.178 8.233 ( 0.062 0.166 -0.018) 0.178 8.233 ( 0.419 0.266 -0.018) 0.497 8.728 ( -0.417 -0.520 1.623) 1.755 8.728 ( 0.235 -0.491 1.623) 1.712 8.728 ( -0.235 0.491 1.623) 1.712 8.728 ( 0.417 0.520 1.623) 1.755 8.797 ( -0.835 -0.315 -1.158) 1.462 8.797 ( -0.816 0.302 -1.158) 1.449 8.797 ( 0.816 -0.302 -1.158) 1.449 8.797 ( 0.835 0.315 -1.158) 1.462 9.028 ( -1.455 -0.711 -0.290) 1.645 9.028 ( -0.308 0.028 -0.290) 0.424 9.028 ( 0.308 -0.028 -0.290) 0.424 9.028 ( 1.455 0.711 -0.290) 1.645 9.465 ( -0.411 -2.125 0.322) 2.188 9.465 ( 0.411 -2.125 0.322) 2.188 9.465 ( -0.411 2.125 0.322) 2.188 9.465 ( 0.411 2.125 0.322) 2.188 9.757 ( -0.277 -2.929 0.249) 2.953 9.757 ( 0.277 -2.929 0.249) 2.953 9.757 ( -0.277 2.929 0.249) 2.953 9.757 ( 0.277 2.929 0.249) 2.953 10.357 ( -0.336 -1.813 0.836) 2.024 10.357 ( 0.334 -1.812 0.836) 2.024 10.357 ( -0.334 1.812 0.836) 2.024 10.357 ( 0.336 1.813 0.836) 2.024 10.408 ( -1.089 -1.951 -0.845) 2.389 10.408 ( 1.039 -1.944 -0.845) 2.361 10.408 ( -1.039 1.944 -0.845) 2.361 10.408 ( 1.089 1.951 -0.845) 2.389 11.297 ( -0.243 -0.435 -0.137) 0.516 11.297 ( 0.223 -0.432 -0.137) 0.505 11.297 ( -0.223 0.432 -0.137) 0.505 11.297 ( 0.243 0.435 -0.137) 0.516 13.544 ( -0.029 -0.025 0.006) 0.039 13.544 ( 0.029 -0.025 0.006) 0.038 13.544 ( -0.029 0.025 0.006) 0.038 13.544 ( 0.029 0.025 0.006) 0.039 ======================= Grid point 50 (19/27) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 0.000 0.000 -11.843) 11.843 0.552 ( 0.000 0.000 11.843) 11.843 0.578 ( 0.000 0.000 -11.435) 11.435 0.578 ( 0.000 0.000 11.435) 11.435 0.639 ( 0.000 0.000 -3.084) 3.084 0.639 ( 0.000 0.000 3.084) 3.084 0.734 ( 0.000 0.000 -0.094) 0.094 0.734 ( 0.000 0.000 0.094) 0.094 0.749 ( 0.000 0.000 -1.365) 1.365 0.749 ( 0.000 0.000 1.365) 1.365 0.797 ( 0.000 0.000 -0.590) 0.590 0.797 ( 0.000 0.000 0.590) 0.590 0.802 ( 0.000 0.000 -2.215) 2.215 0.802 ( 0.000 0.000 2.215) 2.215 0.933 ( 0.000 0.000 -1.008) 1.008 0.933 ( 0.000 0.000 1.008) 1.008 0.952 ( 0.000 0.000 -0.194) 0.194 0.952 ( 0.000 0.000 0.194) 0.194 0.984 ( 0.000 0.000 -2.275) 2.275 0.984 ( 0.000 0.000 2.275) 2.275 1.014 ( 0.000 0.000 -0.074) 0.074 1.014 ( 0.000 0.000 0.074) 0.074 1.038 ( 0.000 0.000 -2.805) 2.805 1.038 ( 0.000 0.000 2.805) 2.805 1.121 ( 0.000 0.000 -0.639) 0.639 1.121 ( 0.000 0.000 0.639) 0.639 1.128 ( 0.000 0.000 -10.433) 10.433 1.128 ( 0.000 0.000 10.433) 10.433 1.130 ( 0.000 0.000 -1.870) 1.870 1.130 ( 0.000 0.000 1.870) 1.870 1.184 ( 0.000 0.000 -2.725) 2.725 1.184 ( 0.000 0.000 2.725) 2.725 1.211 ( 0.000 0.000 -2.645) 2.645 1.211 ( 0.000 0.000 2.645) 2.645 1.233 ( 0.000 0.000 -1.184) 1.184 1.233 ( 0.000 0.000 1.184) 1.184 1.254 ( 0.000 0.000 -1.224) 1.224 1.254 ( 0.000 0.000 1.224) 1.224 1.274 ( 0.000 0.000 -2.480) 2.480 1.274 ( 0.000 0.000 2.480) 2.480 1.324 ( 0.000 0.000 -2.733) 2.733 1.324 ( 0.000 0.000 2.733) 2.733 1.372 ( 0.000 0.000 -3.158) 3.158 1.372 ( 0.000 0.000 3.158) 3.158 1.385 ( 0.000 0.000 -0.137) 0.137 1.385 ( 0.000 0.000 0.137) 0.137 1.409 ( 0.000 0.000 -2.637) 2.637 1.409 ( 0.000 0.000 2.637) 2.637 1.476 ( 0.000 0.000 -0.821) 0.821 1.476 ( 0.000 0.000 0.821) 0.821 1.479 ( 0.000 0.000 -2.848) 2.848 1.479 ( 0.000 0.000 2.848) 2.848 1.544 ( 0.000 0.000 -0.200) 0.200 1.544 ( 0.000 0.000 0.200) 0.200 1.605 ( 0.000 0.000 -1.017) 1.017 1.605 ( 0.000 0.000 1.017) 1.017 1.631 ( 0.000 0.000 -0.477) 0.477 1.631 ( 0.000 0.000 0.477) 0.477 1.648 ( 0.000 0.000 -0.041) 0.041 1.648 ( 0.000 0.000 0.041) 0.041 1.659 ( 0.000 0.000 -3.299) 3.299 1.659 ( 0.000 0.000 3.299) 3.299 1.718 ( 0.000 0.000 -0.404) 0.404 1.718 ( 0.000 0.000 0.404) 0.404 1.736 ( 0.000 0.000 -1.928) 1.928 1.736 ( 0.000 0.000 1.928) 1.928 1.759 ( 0.000 0.000 -2.789) 2.789 1.759 ( 0.000 0.000 2.789) 2.789 1.774 ( 0.000 0.000 -1.609) 1.609 1.774 ( 0.000 0.000 1.609) 1.609 1.838 ( 0.000 0.000 -0.693) 0.693 1.838 ( 0.000 0.000 0.693) 0.693 1.839 ( 0.000 0.000 -1.064) 1.064 1.839 ( 0.000 0.000 1.064) 1.064 1.878 ( 0.000 0.000 -1.154) 1.154 1.878 ( 0.000 0.000 1.154) 1.154 1.907 ( 0.000 0.000 -0.096) 0.096 1.907 ( 0.000 0.000 0.096) 0.096 1.915 ( 0.000 0.000 -1.695) 1.695 1.915 ( 0.000 0.000 1.695) 1.695 1.952 ( 0.000 0.000 -2.872) 2.872 1.952 ( 0.000 0.000 2.872) 2.872 1.986 ( 0.000 0.000 -5.869) 5.869 1.986 ( 0.000 0.000 5.869) 5.869 2.053 ( 0.000 0.000 -0.651) 0.651 2.053 ( 0.000 0.000 0.651) 0.651 2.064 ( 0.000 0.000 -0.628) 0.628 2.064 ( 0.000 0.000 0.628) 0.628 2.081 ( 0.000 0.000 -1.776) 1.776 2.081 ( 0.000 0.000 1.776) 1.776 2.141 ( 0.000 0.000 -1.498) 1.498 2.141 ( 0.000 0.000 1.498) 1.498 2.178 ( 0.000 0.000 -0.194) 0.194 2.178 ( 0.000 0.000 0.194) 0.194 2.227 ( 0.000 0.000 -0.378) 0.378 2.227 ( 0.000 0.000 0.378) 0.378 2.251 ( 0.000 0.000 -0.685) 0.685 2.251 ( 0.000 0.000 0.685) 0.685 2.284 ( 0.000 0.000 -0.283) 0.283 2.284 ( 0.000 0.000 0.283) 0.283 2.344 ( 0.000 0.000 -1.445) 1.445 2.344 ( 0.000 0.000 1.445) 1.445 2.462 ( 0.000 0.000 -0.791) 0.791 2.462 ( 0.000 0.000 0.791) 0.791 2.468 ( 0.000 0.000 -1.095) 1.095 2.468 ( 0.000 0.000 1.095) 1.095 2.487 ( 0.000 0.000 -0.345) 0.345 2.487 ( 0.000 0.000 0.345) 0.345 2.550 ( 0.000 0.000 -0.408) 0.408 2.550 ( 0.000 0.000 0.408) 0.408 2.554 ( 0.000 0.000 -1.365) 1.365 2.554 ( 0.000 0.000 1.365) 1.365 2.606 ( 0.000 0.000 -2.382) 2.382 2.606 ( 0.000 0.000 2.382) 2.382 2.643 ( 0.000 0.000 -1.475) 1.475 2.643 ( 0.000 0.000 1.475) 1.475 2.653 ( 0.000 0.000 -0.338) 0.338 2.653 ( 0.000 0.000 0.338) 0.338 2.684 ( 0.000 0.000 -1.178) 1.178 2.684 ( 0.000 0.000 1.178) 1.178 2.695 ( 0.000 0.000 -0.464) 0.464 2.695 ( 0.000 0.000 0.464) 0.464 2.713 ( 0.000 0.000 -0.987) 0.987 2.713 ( 0.000 0.000 0.987) 0.987 2.804 ( 0.000 0.000 -1.397) 1.397 2.804 ( 0.000 0.000 1.397) 1.397 2.805 ( 0.000 0.000 -0.741) 0.741 2.805 ( 0.000 0.000 0.741) 0.741 2.891 ( 0.000 0.000 -3.394) 3.394 2.891 ( 0.000 0.000 3.394) 3.394 2.899 ( 0.000 0.000 -1.596) 1.596 2.899 ( 0.000 0.000 1.596) 1.596 3.062 ( 0.000 0.000 -6.721) 6.721 3.062 ( 0.000 0.000 6.721) 6.721 3.119 ( 0.000 0.000 -1.001) 1.001 3.119 ( 0.000 0.000 1.001) 1.001 3.192 ( 0.000 0.000 -1.142) 1.142 3.192 ( 0.000 0.000 1.142) 1.142 3.244 ( 0.000 0.000 -4.631) 4.631 3.244 ( 0.000 0.000 4.631) 4.631 3.266 ( 0.000 0.000 -0.161) 0.161 3.266 ( 0.000 0.000 0.161) 0.161 3.492 ( 0.000 0.000 -1.717) 1.717 3.492 ( 0.000 0.000 1.717) 1.717 3.527 ( 0.000 0.000 -4.396) 4.396 3.527 ( 0.000 0.000 4.396) 4.396 3.538 ( 0.000 0.000 -0.940) 0.940 3.538 ( 0.000 0.000 0.940) 0.940 3.610 ( 0.000 0.000 -0.554) 0.554 3.610 ( 0.000 0.000 0.554) 0.554 3.649 ( 0.000 0.000 -1.437) 1.437 3.649 ( 0.000 0.000 1.437) 1.437 3.689 ( 0.000 0.000 -2.886) 2.886 3.689 ( 0.000 0.000 2.886) 2.886 3.831 ( 0.000 0.000 -2.811) 2.811 3.831 ( 0.000 0.000 2.811) 2.811 3.857 ( 0.000 0.000 -0.250) 0.250 3.857 ( 0.000 0.000 0.250) 0.250 3.922 ( 0.000 0.000 -2.551) 2.551 3.922 ( 0.000 0.000 2.551) 2.551 4.284 ( 0.000 0.000 -4.840) 4.840 4.284 ( 0.000 0.000 4.840) 4.840 4.318 ( 0.000 0.000 -5.451) 5.451 4.318 ( 0.000 0.000 5.451) 5.451 4.608 ( 0.000 0.000 -0.345) 0.345 4.608 ( 0.000 0.000 0.345) 0.345 4.784 ( 0.000 0.000 -10.321) 10.321 4.784 ( 0.000 0.000 10.321) 10.321 5.581 ( 0.000 0.000 -1.881) 1.881 5.581 ( 0.000 0.000 1.881) 1.881 5.700 ( 0.000 0.000 -6.424) 6.424 5.700 ( 0.000 0.000 6.424) 6.424 7.875 ( 0.000 0.000 -0.931) 0.931 7.875 ( 0.000 0.000 0.931) 0.931 7.901 ( 0.000 0.000 -2.347) 2.347 7.901 ( 0.000 0.000 2.347) 2.347 8.242 ( 0.000 0.000 -0.805) 0.805 8.242 ( 0.000 0.000 0.805) 0.805 8.289 ( 0.000 0.000 -0.618) 0.618 8.289 ( 0.000 0.000 0.618) 0.618 8.725 ( 0.000 0.000 -0.089) 0.089 8.725 ( 0.000 0.000 0.089) 0.089 8.760 ( 0.000 0.000 -0.897) 0.897 8.760 ( 0.000 0.000 0.897) 0.897 8.789 ( 0.000 0.000 -1.361) 1.361 8.789 ( 0.000 0.000 1.361) 1.361 8.835 ( 0.000 0.000 -0.086) 0.086 8.835 ( 0.000 0.000 0.086) 0.086 8.912 ( 0.000 0.000 -2.465) 2.465 8.912 ( 0.000 0.000 2.465) 2.465 9.126 ( 0.000 0.000 -0.158) 0.158 9.126 ( 0.000 0.000 0.158) 0.158 9.291 ( 0.000 0.000 -1.963) 1.963 9.291 ( 0.000 0.000 1.963) 1.963 9.454 ( 0.000 0.000 -2.583) 2.583 9.454 ( 0.000 0.000 2.583) 2.583 9.753 ( 0.000 0.000 -5.320) 5.320 9.753 ( 0.000 0.000 5.320) 5.320 9.888 ( 0.000 0.000 -2.856) 2.856 9.888 ( 0.000 0.000 2.856) 2.856 10.317 ( 0.000 0.000 -0.364) 0.364 10.317 ( 0.000 0.000 0.364) 0.364 10.345 ( 0.000 0.000 -1.712) 1.712 10.345 ( 0.000 0.000 1.712) 1.712 10.399 ( 0.000 0.000 -0.723) 0.723 10.399 ( 0.000 0.000 0.723) 0.723 10.444 ( 0.000 0.000 -0.749) 0.749 10.444 ( 0.000 0.000 0.749) 0.749 11.289 ( 0.000 0.000 -0.289) 0.289 11.289 ( 0.000 0.000 0.289) 0.289 11.306 ( 0.000 0.000 -1.031) 1.031 11.306 ( 0.000 0.000 1.031) 1.031 13.544 ( 0.000 0.000 -0.019) 0.019 13.544 ( 0.000 0.000 0.019) 0.019 13.545 ( 0.000 0.000 -0.096) 0.096 13.545 ( 0.000 0.000 0.096) 0.096 ======================= Grid point 52 (20/27) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.609 ( 5.028 0.000 -2.493) 5.612 0.609 ( 5.028 0.000 2.493) 5.612 0.643 ( 4.377 0.000 -1.393) 4.593 0.643 ( 4.377 0.000 1.393) 4.593 0.666 ( 3.511 0.000 -2.965) 4.596 0.666 ( 3.511 0.000 2.965) 4.596 0.731 ( -1.073 0.000 -1.223) 1.627 0.731 ( -1.073 0.000 1.223) 1.627 0.762 ( 1.567 0.000 -0.268) 1.590 0.762 ( 1.567 0.000 0.268) 1.590 0.785 ( -1.153 0.000 -0.088) 1.156 0.785 ( -1.153 0.000 0.088) 1.156 0.818 ( 1.950 0.000 -0.458) 2.003 0.818 ( 1.950 0.000 0.458) 2.003 0.924 ( -1.483 0.000 -1.120) 1.859 0.924 ( -1.483 0.000 1.120) 1.859 0.949 ( -2.142 0.000 -0.009) 2.142 0.949 ( -2.142 0.000 0.009) 2.142 0.966 ( -1.365 0.000 -0.493) 1.452 0.966 ( -1.365 0.000 0.493) 1.452 0.994 ( -1.551 0.000 -0.897) 1.792 0.994 ( -1.551 0.000 0.897) 1.792 1.009 ( -2.673 0.000 -0.867) 2.810 1.009 ( -2.673 0.000 0.867) 2.810 1.103 ( -1.813 0.000 -0.449) 1.867 1.103 ( -1.813 0.000 0.449) 1.867 1.139 ( 1.758 0.000 -0.250) 1.776 1.139 ( 1.758 0.000 0.250) 1.776 1.155 ( -0.695 0.000 -1.429) 1.589 1.155 ( -0.695 0.000 1.429) 1.589 1.186 ( -0.040 0.000 -1.036) 1.037 1.186 ( -0.040 0.000 1.036) 1.037 1.220 ( 1.680 0.000 -1.488) 2.244 1.220 ( 1.680 0.000 1.488) 2.244 1.231 ( -0.023 0.000 -1.798) 1.798 1.231 ( -0.023 0.000 1.798) 1.798 1.256 ( 2.539 0.000 -0.337) 2.561 1.256 ( 2.539 0.000 0.337) 2.561 1.294 ( 0.182 0.000 -1.442) 1.453 1.294 ( 0.182 0.000 1.442) 1.453 1.338 ( 2.583 0.000 -0.450) 2.622 1.338 ( 2.583 0.000 0.450) 2.622 1.364 ( 0.311 0.000 -3.678) 3.691 1.364 ( 0.311 0.000 3.678) 3.691 1.385 ( 1.825 0.000 -2.411) 3.024 1.385 ( 1.825 0.000 2.411) 3.024 1.451 ( -0.410 0.000 -0.165) 0.442 1.451 ( -0.410 0.000 0.165) 0.442 1.460 ( 2.840 0.000 -0.131) 2.843 1.460 ( 2.840 0.000 0.131) 2.843 1.497 ( 0.641 0.000 -1.570) 1.696 1.497 ( 0.641 0.000 1.570) 1.696 1.542 ( -0.392 0.000 -0.361) 0.533 1.542 ( -0.392 0.000 0.361) 0.533 1.587 ( -2.175 0.000 -1.076) 2.426 1.587 ( -2.175 0.000 1.076) 2.426 1.602 ( -0.920 0.000 -0.734) 1.177 1.602 ( -0.920 0.000 0.734) 1.177 1.646 ( -0.735 0.000 -0.384) 0.829 1.646 ( -0.735 0.000 0.384) 0.829 1.665 ( -0.056 0.000 -1.889) 1.890 1.665 ( -0.056 0.000 1.889) 1.890 1.690 ( -2.189 0.000 -1.988) 2.957 1.690 ( -2.189 0.000 1.988) 2.957 1.740 ( -0.475 0.000 -0.112) 0.488 1.740 ( -0.475 0.000 0.112) 0.488 1.768 ( 1.921 0.000 -0.208) 1.932 1.768 ( 1.921 0.000 0.208) 1.932 1.793 ( 0.290 0.000 -0.275) 0.399 1.793 ( 0.290 0.000 0.275) 0.399 1.826 ( 0.087 0.000 -0.452) 0.461 1.826 ( 0.087 0.000 0.452) 0.461 1.852 ( -2.012 0.000 -3.583) 4.109 1.852 ( -2.012 0.000 3.583) 4.109 1.876 ( 1.520 0.000 -0.030) 1.521 1.876 ( 1.520 0.000 0.030) 1.521 1.898 ( -1.156 0.000 -0.548) 1.279 1.898 ( -1.156 0.000 0.548) 1.279 1.924 ( -1.613 0.000 -1.872) 2.471 1.924 ( -1.613 0.000 1.872) 2.471 1.939 ( 0.575 0.000 -0.145) 0.593 1.939 ( 0.575 0.000 0.145) 0.593 1.990 ( -0.518 0.000 -0.789) 0.944 1.990 ( -0.518 0.000 0.789) 0.944 2.013 ( -0.115 0.000 -0.745) 0.754 2.013 ( -0.115 0.000 0.745) 0.754 2.079 ( 2.204 0.000 -1.306) 2.562 2.079 ( 2.204 0.000 1.306) 2.562 2.111 ( -2.284 0.000 -0.374) 2.314 2.111 ( -2.284 0.000 0.374) 2.314 2.150 ( 3.536 0.000 -0.439) 3.563 2.150 ( 3.536 0.000 0.439) 3.563 2.174 ( -1.348 0.000 -0.869) 1.604 2.174 ( -1.348 0.000 0.869) 1.604 2.215 ( -1.003 0.000 -0.160) 1.016 2.215 ( -1.003 0.000 0.160) 1.016 2.252 ( -0.116 0.000 -0.657) 0.667 2.252 ( -0.116 0.000 0.657) 0.667 2.296 ( 1.959 0.000 -0.787) 2.111 2.296 ( 1.959 0.000 0.787) 2.111 2.354 ( 0.251 0.000 -1.816) 1.833 2.354 ( 0.251 0.000 1.816) 1.833 2.429 ( -2.188 0.000 -0.583) 2.265 2.429 ( -2.188 0.000 0.583) 2.265 2.448 ( -1.446 0.000 -0.586) 1.560 2.448 ( -1.446 0.000 0.586) 1.560 2.463 ( -2.384 0.000 -1.067) 2.612 2.463 ( -2.384 0.000 1.067) 2.612 2.519 ( 0.610 0.000 -2.966) 3.028 2.519 ( 0.610 0.000 2.966) 3.028 2.581 ( -0.349 0.000 -1.323) 1.369 2.581 ( -0.349 0.000 1.323) 1.369 2.607 ( 1.785 0.000 -0.088) 1.787 2.607 ( 1.785 0.000 0.088) 1.787 2.655 ( -0.452 0.000 -1.766) 1.823 2.655 ( -0.452 0.000 1.766) 1.823 2.669 ( 0.565 0.000 -0.482) 0.742 2.669 ( 0.565 0.000 0.482) 0.742 2.694 ( 0.785 0.000 -0.581) 0.977 2.694 ( 0.785 0.000 0.581) 0.977 2.727 ( 3.375 0.000 -0.109) 3.377 2.727 ( 3.375 0.000 0.109) 3.377 2.757 ( 2.452 0.000 -0.924) 2.621 2.757 ( 2.452 0.000 0.924) 2.621 2.785 ( -1.589 0.000 -0.997) 1.876 2.785 ( -1.589 0.000 0.997) 1.876 2.807 ( 0.420 0.000 -1.776) 1.825 2.807 ( 0.420 0.000 1.776) 1.825 2.857 ( -2.270 0.000 -1.545) 2.745 2.857 ( -2.270 0.000 1.545) 2.745 2.906 ( 0.094 0.000 -1.823) 1.825 2.906 ( 0.094 0.000 1.823) 1.825 3.060 ( 0.074 0.000 -7.406) 7.406 3.060 ( 0.074 0.000 7.406) 7.406 3.108 ( -1.142 0.000 -2.311) 2.578 3.108 ( -1.142 0.000 2.311) 2.578 3.172 ( -1.537 0.000 -1.038) 1.855 3.172 ( -1.537 0.000 1.038) 1.855 3.197 ( -2.160 0.000 -2.680) 3.442 3.197 ( -2.160 0.000 2.680) 3.442 3.316 ( 2.667 0.000 -2.036) 3.355 3.316 ( 2.667 0.000 2.036) 3.355 3.444 ( -3.703 0.000 -1.433) 3.971 3.444 ( -3.703 0.000 1.433) 3.971 3.523 ( 0.747 0.000 -1.366) 1.557 3.523 ( 0.747 0.000 1.366) 1.557 3.575 ( 2.166 0.000 -0.766) 2.297 3.575 ( 2.166 0.000 0.766) 2.297 3.603 ( -1.834 0.000 -0.853) 2.023 3.603 ( -1.834 0.000 0.853) 2.023 3.640 ( -0.590 0.000 -1.652) 1.754 3.640 ( -0.590 0.000 1.652) 1.754 3.702 ( 1.572 0.000 -3.447) 3.788 3.702 ( 1.572 0.000 3.447) 3.788 3.800 ( -2.475 0.000 -3.044) 3.923 3.800 ( -2.475 0.000 3.044) 3.923 3.865 ( 0.675 0.000 -0.050) 0.676 3.865 ( 0.675 0.000 0.050) 0.676 3.908 ( -1.217 0.000 -1.839) 2.206 3.908 ( -1.217 0.000 1.839) 2.206 4.310 ( 3.575 0.000 -3.316) 4.875 4.310 ( 3.575 0.000 3.316) 4.875 4.399 ( 4.957 0.000 -2.378) 5.498 4.399 ( 4.957 0.000 2.378) 5.498 4.582 ( -1.491 0.000 -2.242) 2.692 4.582 ( -1.491 0.000 2.242) 2.692 4.742 ( -4.155 0.000 -9.694) 10.547 4.742 ( -4.155 0.000 9.694) 10.547 5.601 ( 1.915 0.000 -2.701) 3.311 5.601 ( 1.915 0.000 2.701) 3.311 5.686 ( -1.364 0.000 -5.883) 6.039 5.686 ( -1.364 0.000 5.883) 6.039 7.891 ( 1.624 0.000 -0.486) 1.695 7.891 ( 1.624 0.000 0.486) 1.695 7.923 ( 1.273 0.000 -2.348) 2.671 7.923 ( 1.273 0.000 2.348) 2.671 8.230 ( -0.578 0.000 -0.723) 0.926 8.230 ( -0.578 0.000 0.723) 0.926 8.271 ( -1.588 0.000 -0.392) 1.636 8.271 ( -1.588 0.000 0.392) 1.636 8.738 ( 1.074 0.000 -0.030) 1.075 8.738 ( 1.074 0.000 0.030) 1.075 8.767 ( 0.486 0.000 -0.887) 1.012 8.767 ( 0.486 0.000 0.887) 1.012 8.785 ( -0.005 0.000 -1.495) 1.495 8.785 ( -0.005 0.000 1.495) 1.495 8.834 ( -0.540 0.000 -0.439) 0.696 8.834 ( -0.540 0.000 0.439) 0.696 8.956 ( 3.899 0.000 -1.891) 4.334 8.956 ( 3.899 0.000 1.891) 4.334 9.105 ( -2.147 0.000 -0.082) 2.148 9.105 ( -2.147 0.000 0.082) 2.148 9.310 ( 1.819 0.000 -1.906) 2.634 9.310 ( 1.819 0.000 1.906) 2.634 9.422 ( -2.823 0.000 -2.117) 3.529 9.422 ( -2.823 0.000 2.117) 3.529 9.776 ( 2.470 0.000 -3.799) 4.532 9.776 ( 2.470 0.000 3.799) 4.532 9.885 ( -0.944 0.000 -3.595) 3.717 9.885 ( -0.944 0.000 3.595) 3.717 10.320 ( 0.244 0.000 -0.474) 0.533 10.320 ( 0.244 0.000 0.474) 0.533 10.340 ( -0.472 0.000 -1.507) 1.579 10.340 ( -0.472 0.000 1.507) 1.579 10.404 ( 0.442 0.000 -0.833) 0.943 10.404 ( 0.442 0.000 0.833) 0.943 10.432 ( -0.898 0.000 -1.152) 1.460 10.432 ( -0.898 0.000 1.152) 1.460 11.290 ( 0.150 0.000 -0.341) 0.373 11.290 ( 0.150 0.000 0.341) 0.373 11.304 ( -0.265 0.000 -0.909) 0.947 11.304 ( -0.265 0.000 0.909) 0.947 13.544 ( -0.024 0.000 -0.021) 0.032 13.544 ( -0.024 0.000 0.021) 0.032 13.545 ( -0.047 0.000 -0.073) 0.086 13.545 ( -0.047 0.000 0.073) 0.086 ======================= Grid point 54 (21/27) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -1.741 0.000 -2.543) 3.082 0.680 ( 1.741 0.000 -2.543) 3.082 0.680 ( -1.741 0.000 2.543) 3.082 0.680 ( 1.741 0.000 2.543) 3.082 0.736 ( -2.562 0.000 -2.301) 3.443 0.736 ( 2.562 0.000 -2.301) 3.443 0.736 ( -2.562 0.000 2.301) 3.443 0.736 ( 2.562 0.000 2.301) 3.443 0.782 ( -4.040 0.000 -3.218) 5.165 0.782 ( 4.040 0.000 -3.218) 5.165 0.782 ( -4.040 0.000 3.218) 5.165 0.782 ( 4.040 0.000 3.218) 5.165 0.858 ( -3.823 0.000 -0.377) 3.842 0.858 ( -3.823 0.000 0.377) 3.842 0.858 ( 3.823 0.000 -0.377) 3.842 0.858 ( 3.823 0.000 0.377) 3.842 0.905 ( -1.200 0.000 -2.213) 2.517 0.905 ( 1.200 0.000 -2.213) 2.517 0.905 ( -1.200 0.000 2.213) 2.517 0.905 ( 1.200 0.000 2.213) 2.517 1.000 ( -1.188 0.000 -0.100) 1.192 1.000 ( -1.188 0.000 0.100) 1.192 1.000 ( 1.188 0.000 -0.100) 1.192 1.000 ( 1.188 0.000 0.100) 1.192 1.096 ( -2.357 0.000 -0.426) 2.395 1.096 ( -2.357 0.000 0.426) 2.395 1.096 ( 2.357 0.000 -0.426) 2.395 1.096 ( 2.357 0.000 0.426) 2.395 1.178 ( -2.059 0.000 -1.328) 2.450 1.178 ( 2.059 0.000 -1.328) 2.450 1.178 ( -2.059 0.000 1.328) 2.450 1.178 ( 2.059 0.000 1.328) 2.450 1.219 ( -1.234 0.000 -6.074) 6.198 1.219 ( 1.234 0.000 -6.074) 6.198 1.219 ( -1.234 0.000 6.074) 6.198 1.219 ( 1.234 0.000 6.074) 6.198 1.308 ( -1.421 0.000 -0.324) 1.457 1.308 ( -1.421 0.000 0.324) 1.457 1.308 ( 1.421 0.000 -0.324) 1.457 1.308 ( 1.421 0.000 0.324) 1.457 1.386 ( -2.792 0.000 -0.603) 2.857 1.386 ( -2.792 0.000 0.603) 2.857 1.386 ( 2.792 0.000 -0.603) 2.857 1.386 ( 2.792 0.000 0.603) 2.857 1.445 ( -3.789 0.000 -0.002) 3.789 1.445 ( -3.789 0.000 0.002) 3.789 1.445 ( 3.789 0.000 -0.002) 3.789 1.445 ( 3.789 0.000 0.002) 3.789 1.499 ( -2.877 0.000 -0.029) 2.877 1.499 ( -2.877 0.000 0.029) 2.877 1.499 ( 2.877 0.000 -0.029) 2.877 1.499 ( 2.877 0.000 0.029) 2.877 1.541 ( -4.267 0.000 -4.117) 5.929 1.541 ( 4.267 0.000 -4.117) 5.929 1.541 ( -4.267 0.000 4.117) 5.929 1.541 ( 4.267 0.000 4.117) 5.929 1.609 ( -2.855 0.000 -1.417) 3.187 1.609 ( 2.855 0.000 -1.417) 3.187 1.609 ( -2.855 0.000 1.417) 3.187 1.609 ( 2.855 0.000 1.417) 3.187 1.677 ( -0.029 0.000 -0.045) 0.054 1.677 ( 0.029 0.000 -0.045) 0.054 1.677 ( -0.029 0.000 0.045) 0.054 1.677 ( 0.029 0.000 0.045) 0.054 1.734 ( -2.321 0.000 -1.907) 3.003 1.734 ( 2.321 0.000 -1.907) 3.003 1.734 ( -2.321 0.000 1.907) 3.003 1.734 ( 2.321 0.000 1.907) 3.003 1.813 ( -1.129 0.000 -1.112) 1.585 1.813 ( 1.129 0.000 -1.112) 1.585 1.813 ( -1.129 0.000 1.112) 1.585 1.813 ( 1.129 0.000 1.112) 1.585 1.853 ( -1.910 0.000 -1.600) 2.492 1.853 ( 1.910 0.000 -1.600) 2.492 1.853 ( -1.910 0.000 1.600) 2.492 1.853 ( 1.910 0.000 1.600) 2.492 1.901 ( -1.118 0.000 -0.860) 1.411 1.901 ( 1.118 0.000 -0.860) 1.411 1.901 ( -1.118 0.000 0.860) 1.411 1.901 ( 1.118 0.000 0.860) 1.411 1.963 ( -2.005 0.000 -0.702) 2.125 1.963 ( 2.005 0.000 -0.702) 2.125 1.963 ( -2.005 0.000 0.702) 2.125 1.963 ( 2.005 0.000 0.702) 2.125 2.056 ( -3.192 0.000 -0.453) 3.224 2.056 ( -3.192 0.000 0.453) 3.224 2.056 ( 3.192 0.000 -0.453) 3.224 2.056 ( 3.192 0.000 0.453) 3.224 2.128 ( -2.274 0.000 -1.020) 2.492 2.128 ( 2.274 0.000 -1.020) 2.492 2.128 ( -2.274 0.000 1.020) 2.492 2.128 ( 2.274 0.000 1.020) 2.492 2.205 ( -0.752 0.000 -0.114) 0.761 2.205 ( -0.752 0.000 0.114) 0.761 2.205 ( 0.752 0.000 -0.114) 0.761 2.205 ( 0.752 0.000 0.114) 0.761 2.272 ( -3.457 0.000 -1.654) 3.832 2.272 ( 3.457 0.000 -1.654) 3.832 2.272 ( -3.457 0.000 1.654) 3.832 2.272 ( 3.457 0.000 1.654) 3.832 2.395 ( -3.934 0.000 -0.852) 4.025 2.395 ( -3.934 0.000 0.852) 4.025 2.395 ( 3.934 0.000 -0.852) 4.025 2.395 ( 3.934 0.000 0.852) 4.025 2.427 ( -1.110 0.000 -1.807) 2.121 2.427 ( 1.110 0.000 -1.807) 2.121 2.427 ( -1.110 0.000 1.807) 2.121 2.427 ( 1.110 0.000 1.807) 2.121 2.551 ( -1.796 0.000 -4.044) 4.425 2.551 ( 1.796 0.000 -4.044) 4.425 2.551 ( -1.796 0.000 4.044) 4.425 2.551 ( 1.796 0.000 4.044) 4.425 2.652 ( -0.808 0.000 -0.245) 0.844 2.652 ( -0.808 0.000 0.245) 0.844 2.652 ( 0.808 0.000 -0.245) 0.844 2.652 ( 0.808 0.000 0.245) 0.844 2.689 ( -1.801 0.000 -0.343) 1.833 2.689 ( -1.801 0.000 0.343) 1.833 2.689 ( 1.801 0.000 -0.343) 1.833 2.689 ( 1.801 0.000 0.343) 1.833 2.751 ( -0.746 0.000 -0.250) 0.786 2.751 ( 0.746 0.000 -0.250) 0.786 2.751 ( -0.746 0.000 0.250) 0.786 2.751 ( 0.746 0.000 0.250) 0.786 2.790 ( -1.605 0.000 -0.098) 1.608 2.790 ( -1.605 0.000 0.098) 1.608 2.790 ( 1.605 0.000 -0.098) 1.608 2.790 ( 1.605 0.000 0.098) 1.608 2.883 ( -2.678 0.000 -0.592) 2.743 2.883 ( -2.678 0.000 0.592) 2.743 2.883 ( 2.678 0.000 -0.592) 2.743 2.883 ( 2.678 0.000 0.592) 2.743 3.077 ( -1.589 0.000 -5.774) 5.989 3.077 ( 1.589 0.000 -5.774) 5.989 3.077 ( -1.589 0.000 5.774) 5.989 3.077 ( 1.589 0.000 5.774) 5.989 3.163 ( -0.884 0.000 -1.886) 2.083 3.163 ( 0.884 0.000 -1.886) 2.083 3.163 ( -0.884 0.000 1.886) 2.083 3.163 ( 0.884 0.000 1.886) 2.083 3.372 ( -3.169 0.000 -1.982) 3.738 3.372 ( 3.169 0.000 -1.982) 3.738 3.372 ( -3.169 0.000 1.982) 3.738 3.372 ( 3.169 0.000 1.982) 3.738 3.554 ( -2.193 0.000 -0.241) 2.206 3.554 ( -2.193 0.000 0.241) 2.206 3.554 ( 2.193 0.000 -0.241) 2.206 3.554 ( 2.193 0.000 0.241) 2.206 3.618 ( -1.763 0.000 -0.864) 1.963 3.618 ( 1.763 0.000 -0.864) 1.963 3.618 ( -1.763 0.000 0.864) 1.963 3.618 ( 1.763 0.000 0.864) 1.963 3.746 ( -2.686 0.000 -3.640) 4.524 3.746 ( 2.686 0.000 -3.640) 4.524 3.746 ( -2.686 0.000 3.640) 4.524 3.746 ( 2.686 0.000 3.640) 4.524 3.883 ( -1.096 0.000 -0.668) 1.284 3.883 ( 1.096 0.000 -0.668) 1.284 3.883 ( -1.096 0.000 0.668) 1.284 3.883 ( 1.096 0.000 0.668) 1.284 4.402 ( -4.299 0.000 -2.849) 5.158 4.402 ( 4.299 0.000 -2.849) 5.158 4.402 ( -4.299 0.000 2.849) 5.158 4.402 ( 4.299 0.000 2.849) 5.158 4.632 ( -5.912 0.000 -8.223) 10.128 4.632 ( 5.912 0.000 -8.223) 10.128 4.632 ( -5.912 0.000 8.223) 10.128 4.632 ( 5.912 0.000 8.223) 10.128 5.647 ( -2.392 0.000 -4.407) 5.014 5.647 ( 2.392 0.000 -4.407) 5.014 5.647 ( -2.392 0.000 4.407) 5.014 5.647 ( 2.392 0.000 4.407) 5.014 7.925 ( -1.173 0.000 -1.850) 2.191 7.925 ( 1.173 0.000 -1.850) 2.191 7.925 ( -1.173 0.000 1.850) 2.191 7.925 ( 1.173 0.000 1.850) 2.191 8.238 ( -1.338 0.000 -0.228) 1.358 8.238 ( -1.338 0.000 0.228) 1.358 8.238 ( 1.338 0.000 -0.228) 1.358 8.238 ( 1.338 0.000 0.228) 1.358 8.759 ( -0.940 0.000 -0.035) 0.941 8.759 ( -0.940 0.000 0.035) 0.941 8.759 ( 0.940 0.000 -0.035) 0.941 8.759 ( 0.940 0.000 0.035) 0.941 8.808 ( -1.750 0.000 -0.706) 1.887 8.808 ( 1.750 0.000 -0.706) 1.887 8.808 ( -1.750 0.000 0.706) 1.887 8.808 ( 1.750 0.000 0.706) 1.887 9.041 ( -4.051 0.000 -0.553) 4.089 9.041 ( -4.051 0.000 0.553) 4.089 9.041 ( 4.051 0.000 -0.553) 4.089 9.041 ( 4.051 0.000 0.553) 4.089 9.360 ( -3.012 0.000 -1.762) 3.489 9.360 ( 3.012 0.000 -1.762) 3.489 9.360 ( -3.012 0.000 1.762) 3.489 9.360 ( 3.012 0.000 1.762) 3.489 9.840 ( -3.309 0.000 -3.370) 4.723 9.840 ( 3.309 0.000 -3.370) 4.723 9.840 ( -3.309 0.000 3.370) 4.723 9.840 ( 3.309 0.000 3.370) 4.723 10.328 ( -0.585 0.000 -0.962) 1.125 10.328 ( 0.585 0.000 -0.962) 1.125 10.328 ( -0.585 0.000 0.962) 1.125 10.328 ( 0.585 0.000 0.962) 1.125 10.416 ( -0.703 0.000 -1.169) 1.364 10.416 ( 0.703 0.000 -1.169) 1.364 10.416 ( -0.703 0.000 1.169) 1.364 10.416 ( 0.703 0.000 1.169) 1.364 11.296 ( -0.418 0.000 -0.610) 0.740 11.296 ( 0.418 0.000 -0.610) 0.740 11.296 ( -0.418 0.000 0.610) 0.740 11.296 ( 0.418 0.000 0.610) 0.740 13.544 ( -0.016 0.000 -0.035) 0.039 13.544 ( 0.016 0.000 -0.035) 0.039 13.544 ( -0.016 0.000 0.035) 0.039 13.544 ( 0.016 0.000 0.035) 0.039 ======================= Grid point 60 (22/27) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.577 ( 0.000 2.131 -9.099) 9.346 0.577 ( 0.000 2.131 9.099) 9.346 0.623 ( 0.000 2.783 -4.082) 4.940 0.623 ( 0.000 2.783 4.082) 4.940 0.662 ( 0.000 2.257 -2.497) 3.366 0.662 ( 0.000 2.257 2.497) 3.366 0.698 ( 0.000 -1.206 -1.592) 1.997 0.698 ( 0.000 -1.206 1.592) 1.997 0.723 ( 0.000 -2.821 -1.352) 3.128 0.723 ( 0.000 -2.821 1.352) 3.128 0.812 ( 0.000 2.405 -1.331) 2.748 0.812 ( 0.000 2.405 1.331) 2.748 0.823 ( 0.000 2.325 -0.699) 2.427 0.823 ( 0.000 2.325 0.699) 2.427 0.905 ( 0.000 -2.525 -0.621) 2.601 0.905 ( 0.000 -2.525 0.621) 2.601 0.955 ( 0.000 0.169 -0.402) 0.437 0.955 ( 0.000 0.169 0.402) 0.437 0.988 ( 0.000 -0.692 -1.190) 1.377 0.988 ( 0.000 -0.692 1.190) 1.377 1.023 ( 0.000 -3.398 -0.730) 3.475 1.023 ( 0.000 -3.398 0.730) 3.475 1.066 ( 0.000 3.039 -1.522) 3.399 1.066 ( 0.000 3.039 1.522) 3.399 1.086 ( 0.000 -2.486 -2.183) 3.309 1.086 ( 0.000 -2.486 2.183) 3.309 1.093 ( 0.000 -4.342 -1.500) 4.594 1.093 ( 0.000 -4.342 1.500) 4.594 1.130 ( 0.000 1.193 -1.645) 2.032 1.130 ( 0.000 1.193 1.645) 2.032 1.191 ( 0.000 0.240 -1.679) 1.696 1.191 ( 0.000 0.240 1.679) 1.696 1.197 ( 0.000 2.136 -7.724) 8.014 1.197 ( 0.000 2.136 7.724) 8.014 1.236 ( 0.000 3.272 -8.011) 8.654 1.236 ( 0.000 3.272 8.011) 8.654 1.283 ( 0.000 0.106 -1.465) 1.469 1.283 ( 0.000 0.106 1.465) 1.469 1.284 ( 0.000 -0.022 -2.557) 2.557 1.284 ( 0.000 -0.022 2.557) 2.557 1.332 ( 0.000 -0.386 -2.923) 2.948 1.332 ( 0.000 -0.386 2.923) 2.948 1.369 ( 0.000 2.165 -1.258) 2.504 1.369 ( 0.000 2.165 1.258) 2.504 1.396 ( 0.000 -0.782 -0.975) 1.249 1.396 ( 0.000 -0.782 0.975) 1.249 1.412 ( 0.000 0.144 -2.109) 2.114 1.412 ( 0.000 0.144 2.109) 2.114 1.479 ( 0.000 0.274 -2.279) 2.296 1.479 ( 0.000 0.274 2.279) 2.296 1.501 ( 0.000 1.287 -1.711) 2.140 1.501 ( 0.000 1.287 1.711) 2.140 1.541 ( 0.000 0.088 -0.627) 0.634 1.541 ( 0.000 0.088 0.627) 0.634 1.595 ( 0.000 -1.105 -0.878) 1.411 1.595 ( 0.000 -1.105 0.878) 1.411 1.626 ( 0.000 -0.344 -1.955) 1.985 1.626 ( 0.000 -0.344 1.955) 1.985 1.637 ( 0.000 -0.639 -1.450) 1.585 1.637 ( 0.000 -0.639 1.450) 1.585 1.668 ( 0.000 1.215 -3.965) 4.147 1.668 ( 0.000 1.215 3.965) 4.147 1.697 ( 0.000 -1.016 -3.247) 3.402 1.697 ( 0.000 -1.016 3.247) 3.402 1.739 ( 0.000 -0.011 -2.665) 2.665 1.739 ( 0.000 -0.011 2.665) 2.665 1.776 ( 0.000 0.560 -0.675) 0.877 1.776 ( 0.000 0.560 0.675) 0.877 1.778 ( 0.000 0.049 -3.175) 3.176 1.778 ( 0.000 0.049 3.175) 3.176 1.812 ( 0.000 -1.058 -0.643) 1.238 1.812 ( 0.000 -1.058 0.643) 1.238 1.858 ( 0.000 1.412 -0.899) 1.674 1.858 ( 0.000 1.412 0.899) 1.674 1.880 ( 0.000 -0.339 -0.535) 0.634 1.880 ( 0.000 -0.339 0.535) 0.634 1.907 ( 0.000 -0.132 -1.937) 1.942 1.907 ( 0.000 -0.132 1.937) 1.942 1.913 ( 0.000 -0.149 -0.901) 0.913 1.913 ( 0.000 -0.149 0.901) 0.913 1.954 ( 0.000 0.013 -1.922) 1.922 1.954 ( 0.000 0.013 1.922) 1.922 1.977 ( 0.000 -0.878 -5.503) 5.573 1.977 ( 0.000 -0.878 5.503) 5.573 2.030 ( 0.000 -0.188 -1.317) 1.331 2.030 ( 0.000 -0.188 1.317) 1.331 2.080 ( 0.000 -0.283 -1.410) 1.439 2.080 ( 0.000 -0.283 1.410) 1.439 2.098 ( 0.000 1.820 -0.711) 1.954 2.098 ( 0.000 1.820 0.711) 1.954 2.146 ( 0.000 0.173 -2.343) 2.349 2.146 ( 0.000 0.173 2.343) 2.349 2.170 ( 0.000 -1.134 -1.026) 1.529 2.170 ( 0.000 -1.134 1.026) 1.529 2.201 ( 0.000 -4.741 -2.947) 5.582 2.201 ( 0.000 -4.741 2.947) 5.582 2.230 ( 0.000 0.380 -0.252) 0.456 2.230 ( 0.000 0.380 0.252) 0.456 2.257 ( 0.000 -1.350 -0.475) 1.431 2.257 ( 0.000 -1.350 0.475) 1.431 2.345 ( 0.000 1.221 -0.929) 1.534 2.345 ( 0.000 1.221 0.929) 1.534 2.433 ( 0.000 -2.509 -0.553) 2.569 2.433 ( 0.000 -2.509 0.553) 2.569 2.480 ( 0.000 0.937 -0.079) 0.940 2.480 ( 0.000 0.937 0.079) 0.940 2.506 ( 0.000 0.595 -0.635) 0.870 2.506 ( 0.000 0.595 0.635) 0.870 2.557 ( 0.000 0.766 -1.757) 1.917 2.557 ( 0.000 0.766 1.757) 1.917 2.583 ( 0.000 1.500 -0.611) 1.619 2.583 ( 0.000 1.500 0.611) 1.619 2.604 ( 0.000 0.058 -1.984) 1.985 2.604 ( 0.000 0.058 1.984) 1.985 2.636 ( 0.000 -0.713 -1.404) 1.575 2.636 ( 0.000 -0.713 1.404) 1.575 2.671 ( 0.000 2.057 -2.153) 2.977 2.671 ( 0.000 2.057 2.153) 2.977 2.685 ( 0.000 0.259 -1.055) 1.086 2.685 ( 0.000 0.259 1.055) 1.086 2.709 ( 0.000 0.230 -2.008) 2.021 2.709 ( 0.000 0.230 2.008) 2.021 2.711 ( 0.000 1.406 -2.093) 2.521 2.711 ( 0.000 1.406 2.093) 2.521 2.791 ( 0.000 -0.997 -0.934) 1.366 2.791 ( 0.000 -0.997 0.934) 1.366 2.797 ( 0.000 -0.710 -1.223) 1.414 2.797 ( 0.000 -0.710 1.223) 1.414 2.901 ( 0.000 0.796 -2.462) 2.588 2.901 ( 0.000 0.796 2.462) 2.588 2.909 ( 0.000 0.158 -2.286) 2.291 2.909 ( 0.000 0.158 2.286) 2.291 3.057 ( 0.000 -0.059 -5.558) 5.559 3.057 ( 0.000 -0.059 5.558) 5.559 3.113 ( 0.000 -0.951 -1.806) 2.041 3.113 ( 0.000 -0.951 1.806) 2.041 3.198 ( 0.000 0.530 -2.231) 2.293 3.198 ( 0.000 0.530 2.231) 2.293 3.248 ( 0.000 -1.878 -2.742) 3.323 3.248 ( 0.000 -1.878 2.742) 3.323 3.274 ( 0.000 2.702 -4.162) 4.962 3.274 ( 0.000 2.702 4.162) 4.962 3.443 ( 0.000 -6.513 -4.279) 7.793 3.443 ( 0.000 -6.513 4.279) 7.793 3.517 ( 0.000 1.630 -1.672) 2.335 3.517 ( 0.000 1.630 1.672) 2.335 3.540 ( 0.000 0.120 -0.742) 0.751 3.540 ( 0.000 0.120 0.742) 0.751 3.622 ( 0.000 1.123 -1.723) 2.057 3.622 ( 0.000 1.123 1.723) 2.057 3.625 ( 0.000 -2.208 -2.480) 3.320 3.625 ( 0.000 -2.208 2.480) 3.320 3.664 ( 0.000 -0.519 -0.791) 0.946 3.664 ( 0.000 -0.519 0.791) 0.946 3.752 ( 0.000 -6.481 -2.648) 7.001 3.752 ( 0.000 -6.481 2.648) 7.001 3.865 ( 0.000 0.761 -0.311) 0.822 3.865 ( 0.000 0.761 0.311) 0.822 3.910 ( 0.000 -1.178 -1.918) 2.251 3.910 ( 0.000 -1.178 1.918) 2.251 4.356 ( 0.000 5.857 -6.562) 8.795 4.356 ( 0.000 5.857 6.562) 8.795 4.432 ( 0.000 7.952 -6.744) 10.426 4.432 ( 0.000 7.952 6.744) 10.426 4.595 ( 0.000 -0.293 -4.979) 4.987 4.595 ( 0.000 -0.293 4.979) 4.987 4.766 ( 0.000 -2.381 -10.353) 10.623 4.766 ( 0.000 -2.381 10.353) 10.623 5.585 ( 0.000 0.747 -0.820) 1.109 5.585 ( 0.000 0.747 0.820) 1.109 5.674 ( 0.000 -2.514 -5.372) 5.931 5.674 ( 0.000 -2.514 5.372) 5.931 7.879 ( 0.000 0.398 -0.808) 0.901 7.879 ( 0.000 0.398 0.808) 0.901 7.897 ( 0.000 -0.347 -1.698) 1.733 7.897 ( 0.000 -0.347 1.698) 1.733 8.246 ( 0.000 0.457 -0.810) 0.930 8.246 ( 0.000 0.457 0.810) 0.930 8.279 ( 0.000 -0.902 -0.614) 1.092 8.279 ( 0.000 -0.902 0.614) 1.092 8.728 ( 0.000 0.368 -0.680) 0.773 8.728 ( 0.000 0.368 0.680) 0.773 8.761 ( 0.000 0.056 -0.749) 0.751 8.761 ( 0.000 0.056 0.749) 0.751 8.784 ( 0.000 -0.446 -1.672) 1.731 8.784 ( 0.000 -0.446 1.672) 1.731 8.799 ( 0.000 -2.774 -0.691) 2.859 8.799 ( 0.000 -2.774 0.691) 2.859 8.930 ( 0.000 1.960 -2.474) 3.156 8.930 ( 0.000 1.960 2.474) 3.156 9.069 ( 0.000 -4.394 -0.810) 4.468 9.069 ( 0.000 -4.394 0.810) 4.468 9.377 ( 0.000 6.522 -1.947) 6.807 9.377 ( 0.000 6.522 1.947) 6.807 9.473 ( 0.000 1.488 -1.566) 2.160 9.473 ( 0.000 1.488 1.566) 2.160 9.740 ( 0.000 -0.859 -3.123) 3.239 9.740 ( 0.000 -0.859 3.123) 3.239 9.835 ( 0.000 -4.747 -2.005) 5.153 9.835 ( 0.000 -4.747 2.005) 5.153 10.343 ( 0.000 1.633 -0.496) 1.707 10.343 ( 0.000 1.633 0.496) 1.707 10.362 ( 0.000 2.173 -0.949) 2.372 10.362 ( 0.000 2.173 0.949) 2.372 10.391 ( 0.000 -0.837 -0.857) 1.198 10.391 ( 0.000 -0.837 0.857) 1.198 10.443 ( 0.000 -0.481 -2.429) 2.476 10.443 ( 0.000 -0.481 2.429) 2.476 11.290 ( 0.000 0.105 -0.028) 0.108 11.290 ( 0.000 0.105 0.028) 0.108 11.303 ( 0.000 -0.334 -0.833) 0.897 11.303 ( 0.000 -0.334 0.833) 0.897 13.545 ( 0.000 0.017 -0.001) 0.017 13.545 ( 0.000 0.017 0.001) 0.017 13.545 ( 0.000 -0.006 -0.079) 0.079 13.545 ( 0.000 -0.006 0.079) 0.079 ======================= Grid point 62 (23/27) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.602 ( 1.788 0.311 -4.829) 5.159 0.602 ( 1.788 0.311 4.829) 5.159 0.652 ( 2.127 -0.160 -0.600) 2.216 0.652 ( 2.127 -0.160 0.600) 2.216 0.675 ( 0.916 -0.953 -2.468) 2.800 0.675 ( 0.916 -0.953 2.468) 2.800 0.697 ( 0.575 -2.580 -1.426) 3.003 0.697 ( 0.575 -2.580 1.426) 3.003 0.752 ( 1.415 1.674 -1.082) 2.444 0.752 ( 1.415 1.674 1.082) 2.444 0.820 ( 1.092 3.123 -2.340) 4.052 0.820 ( 1.092 3.123 2.340) 4.052 0.831 ( 1.679 1.845 -0.652) 2.578 0.831 ( 1.679 1.845 0.652) 2.578 0.919 ( 0.548 -0.890 -2.154) 2.395 0.919 ( 0.548 -0.890 2.154) 2.395 0.959 ( 0.298 -0.671 -0.947) 1.198 0.959 ( 0.298 -0.671 0.947) 1.198 0.968 ( -2.642 -0.818 -0.844) 2.891 0.968 ( -2.642 -0.818 0.844) 2.891 1.008 ( -1.510 0.892 -0.634) 1.865 1.008 ( -1.510 0.892 0.634) 1.865 1.035 ( -1.599 0.002 -1.772) 2.387 1.035 ( -1.599 0.002 1.772) 2.387 1.070 ( -0.013 0.730 -1.744) 1.891 1.070 ( -0.013 0.730 1.744) 1.891 1.110 ( 0.127 -2.186 -1.188) 2.491 1.110 ( 0.127 -2.186 1.188) 2.491 1.140 ( 0.264 -1.329 -0.135) 1.362 1.140 ( 0.264 -1.329 0.135) 1.362 1.178 ( -1.567 0.426 -0.386) 1.669 1.178 ( -1.567 0.426 0.386) 1.669 1.212 ( 0.993 -0.515 -3.580) 3.750 1.212 ( 0.993 -0.515 3.580) 3.750 1.241 ( -0.852 0.428 -0.708) 1.187 1.241 ( -0.852 0.428 0.708) 1.187 1.282 ( 0.042 0.392 -1.782) 1.825 1.282 ( 0.042 0.392 1.782) 1.825 1.298 ( 0.005 -0.464 -0.806) 0.930 1.298 ( 0.005 -0.464 0.806) 0.930 1.332 ( 3.073 1.211 -2.687) 4.258 1.332 ( 3.073 1.211 2.687) 4.258 1.362 ( -0.112 0.378 -1.177) 1.241 1.362 ( -0.112 0.378 1.177) 1.241 1.396 ( 1.292 -0.564 -2.049) 2.487 1.396 ( 1.292 -0.564 2.049) 2.487 1.431 ( 0.858 0.184 -0.944) 1.289 1.431 ( 0.858 0.184 0.944) 1.289 1.483 ( 1.958 1.381 -0.632) 2.478 1.483 ( 1.958 1.381 0.632) 2.478 1.520 ( 0.653 1.498 -1.303) 2.090 1.520 ( 0.653 1.498 1.303) 2.090 1.550 ( 1.640 0.205 -0.933) 1.898 1.550 ( 1.640 0.205 0.933) 1.898 1.595 ( -1.380 -0.166 -0.830) 1.619 1.595 ( -1.380 -0.166 0.830) 1.619 1.600 ( -1.758 0.682 -0.958) 2.115 1.600 ( -1.758 0.682 0.958) 2.115 1.641 ( 0.422 -0.309 -1.411) 1.505 1.641 ( 0.422 -0.309 1.411) 1.505 1.670 ( -0.231 1.265 -2.401) 2.724 1.670 ( -0.231 1.265 2.401) 2.724 1.710 ( 0.482 0.485 -2.301) 2.400 1.710 ( 0.482 0.485 2.301) 2.400 1.727 ( -1.165 -0.204 -1.307) 1.762 1.727 ( -1.165 -0.204 1.307) 1.762 1.767 ( 0.598 -0.214 -0.315) 0.709 1.767 ( 0.598 -0.214 0.315) 0.709 1.782 ( -0.191 -1.288 -1.433) 1.936 1.782 ( -0.191 -1.288 1.433) 1.936 1.817 ( 0.116 0.138 -0.275) 0.329 1.817 ( 0.116 0.138 0.275) 0.329 1.853 ( -1.511 -0.455 -2.331) 2.815 1.853 ( -1.511 -0.455 2.331) 2.815 1.873 ( -0.823 -0.991 -1.848) 2.253 1.873 ( -0.823 -0.991 1.848) 2.253 1.898 ( -0.740 0.609 -1.880) 2.110 1.898 ( -0.740 0.609 1.880) 2.110 1.922 ( -0.038 -0.059 -1.720) 1.722 1.922 ( -0.038 -0.059 1.720) 1.722 1.944 ( 0.530 0.120 -0.409) 0.680 1.944 ( 0.530 0.120 0.409) 0.680 1.980 ( -0.450 -0.556 -1.062) 1.280 1.980 ( -0.450 -0.556 1.062) 1.280 2.015 ( 0.290 0.921 -1.869) 2.104 2.015 ( 0.290 0.921 1.869) 2.104 2.093 ( 0.899 0.863 -1.745) 2.144 2.093 ( 0.899 0.863 1.745) 2.144 2.107 ( -1.436 -1.110 -1.415) 2.302 2.107 ( -1.436 -1.110 1.415) 2.302 2.135 ( 1.766 -0.906 -0.805) 2.142 2.135 ( 1.766 -0.906 0.805) 2.142 2.171 ( -1.074 -0.408 -1.381) 1.796 2.171 ( -1.074 -0.408 1.381) 1.796 2.202 ( -0.556 -1.982 -1.440) 2.512 2.202 ( -0.556 -1.982 1.440) 2.512 2.243 ( 1.162 -0.403 -0.354) 1.280 2.243 ( 1.162 -0.403 0.354) 1.280 2.281 ( 3.033 -1.574 -1.993) 3.956 2.281 ( 3.033 -1.574 1.993) 3.956 2.330 ( -1.056 0.249 -0.892) 1.405 2.330 ( -1.056 0.249 0.892) 1.405 2.402 ( -1.591 -1.866 -0.553) 2.514 2.402 ( -1.591 -1.866 0.553) 2.514 2.455 ( -3.392 0.670 -0.670) 3.522 2.455 ( -3.392 0.670 0.670) 3.522 2.479 ( -1.959 0.291 -1.157) 2.294 2.479 ( -1.959 0.291 1.157) 2.294 2.553 ( 1.450 1.678 -2.776) 3.553 2.553 ( 1.450 1.678 2.776) 3.553 2.591 ( -0.777 -0.925 -1.358) 1.817 2.591 ( -0.777 -0.925 1.358) 1.817 2.617 ( 1.662 2.648 -2.172) 3.807 2.617 ( 1.662 2.648 2.172) 3.807 2.670 ( 0.030 1.190 -2.360) 2.644 2.670 ( 0.030 1.190 2.360) 2.644 2.678 ( 1.418 1.601 -0.859) 2.305 2.678 ( 1.418 1.601 0.859) 2.305 2.702 ( 1.281 0.175 -0.964) 1.613 2.702 ( 1.281 0.175 0.964) 1.613 2.730 ( 3.137 0.317 -0.765) 3.245 2.730 ( 3.137 0.317 0.765) 3.245 2.755 ( 2.051 0.154 -1.100) 2.333 2.755 ( 2.051 0.154 1.100) 2.333 2.776 ( -0.157 -0.323 -0.508) 0.622 2.776 ( -0.157 -0.323 0.508) 0.622 2.807 ( 0.461 -0.467 -1.096) 1.277 2.807 ( 0.461 -0.467 1.096) 1.277 2.862 ( -2.242 0.705 -1.530) 2.804 2.862 ( -2.242 0.705 1.530) 2.804 2.911 ( -0.862 -0.218 -1.424) 1.678 2.911 ( -0.862 -0.218 1.424) 1.678 3.056 ( 0.087 -0.011 -6.037) 6.038 3.056 ( 0.087 -0.011 6.037) 6.038 3.101 ( -1.022 -0.838 -1.767) 2.206 3.101 ( -1.022 -0.838 1.767) 2.206 3.169 ( -1.982 -0.068 -1.895) 2.742 3.169 ( -1.982 -0.068 1.895) 2.742 3.200 ( -2.682 -0.306 -3.313) 4.273 3.200 ( -2.682 -0.306 3.313) 4.273 3.325 ( 2.845 1.135 -2.689) 4.076 3.325 ( 2.845 1.135 2.689) 4.076 3.447 ( -1.349 -1.758 -2.681) 3.478 3.447 ( -1.349 -1.758 2.681) 3.478 3.497 ( 0.341 -1.229 -2.883) 3.153 3.497 ( 0.341 -1.229 2.883) 3.153 3.561 ( 1.395 -0.600 -0.822) 1.727 3.561 ( 1.395 -0.600 0.822) 1.727 3.603 ( -1.620 -0.448 -0.756) 1.843 3.603 ( -1.620 -0.448 0.756) 1.843 3.627 ( -1.220 -1.609 -1.906) 2.776 3.627 ( -1.220 -1.609 1.906) 2.776 3.655 ( 0.866 -1.618 -1.546) 2.400 3.655 ( 0.866 -1.618 1.546) 2.400 3.735 ( -1.801 -5.085 -2.454) 5.926 3.735 ( -1.801 -5.085 2.454) 5.926 3.869 ( 0.448 0.434 -0.188) 0.652 3.869 ( 0.448 0.434 0.188) 0.652 3.899 ( -0.852 -0.818 -1.286) 1.746 3.899 ( -0.852 -0.818 1.286) 1.746 4.375 ( 2.464 5.219 -5.218) 7.780 4.375 ( 2.464 5.219 5.218) 7.780 4.484 ( 2.412 4.865 -6.000) 8.093 4.484 ( 2.412 4.865 6.000) 8.093 4.579 ( 0.129 1.509 -6.466) 6.641 4.579 ( 0.129 1.509 6.466) 6.641 4.740 ( -2.705 -0.799 -9.433) 9.845 4.740 ( -2.705 -0.799 9.433) 9.845 5.598 ( 1.268 0.038 -1.562) 2.013 5.598 ( 1.268 0.038 1.562) 2.013 5.662 ( -1.132 -2.264 -4.813) 5.438 5.662 ( -1.132 -2.264 4.813) 5.438 7.894 ( 1.427 0.288 -0.338) 1.494 7.894 ( 1.427 0.288 0.338) 1.494 7.916 ( 1.175 -0.633 -1.607) 2.089 7.916 ( 1.175 -0.633 1.607) 2.089 8.234 ( -0.711 0.410 -0.653) 1.049 8.234 ( -0.711 0.410 0.653) 1.049 8.263 ( -1.406 -0.761 -0.388) 1.646 8.263 ( -1.406 -0.761 0.388) 1.646 8.739 ( 0.901 0.218 -0.642) 1.128 8.739 ( 0.901 0.218 0.642) 1.128 8.763 ( 0.067 -0.253 -0.699) 0.746 8.763 ( 0.067 -0.253 0.699) 0.746 8.779 ( -0.010 -0.706 -1.785) 1.920 8.779 ( -0.010 -0.706 1.785) 1.920 8.806 ( 0.099 -2.172 -0.404) 2.212 8.806 ( 0.099 -2.172 0.404) 2.212 8.968 ( 3.210 1.276 -1.882) 3.933 8.968 ( 3.210 1.276 1.882) 3.933 9.062 ( -0.722 -3.212 -0.585) 3.344 9.062 ( -0.722 -3.212 0.585) 3.344 9.385 ( 0.853 5.952 -1.730) 6.256 9.385 ( 0.853 5.952 1.730) 6.256 9.452 ( -1.867 2.498 -1.500) 3.461 9.452 ( -1.867 2.498 1.500) 3.461 9.758 ( 1.844 -1.439 -2.521) 3.439 9.758 ( 1.844 -1.439 2.521) 3.439 9.834 ( -0.517 -4.558 -2.452) 5.202 9.834 ( -0.517 -4.558 2.452) 5.202 10.341 ( -0.021 1.617 -0.427) 1.672 10.341 ( -0.021 1.617 0.427) 1.672 10.357 ( -0.500 1.880 -0.694) 2.065 10.357 ( -0.500 1.880 0.694) 2.065 10.396 ( 0.438 -0.839 -0.978) 1.361 10.396 ( 0.438 -0.839 0.978) 1.361 10.430 ( -1.077 -0.545 -1.966) 2.307 10.430 ( -1.077 -0.545 1.966) 2.307 11.291 ( 0.158 0.119 -0.128) 0.236 11.291 ( 0.158 0.119 0.128) 0.236 11.301 ( -0.179 -0.254 -0.707) 0.772 11.301 ( -0.179 -0.254 0.707) 0.772 13.544 ( -0.027 0.014 -0.005) 0.031 13.544 ( -0.027 0.014 0.005) 0.031 13.545 ( -0.045 -0.003 -0.059) 0.074 13.545 ( -0.045 -0.003 0.059) 0.074 ======================= Grid point 64 (24/27) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.646 ( -1.977 -2.024 -0.808) 2.942 0.646 ( -0.831 -2.024 -0.543) 2.254 0.646 ( 0.831 -2.024 0.543) 2.254 0.646 ( 1.977 -2.024 0.808) 2.942 0.691 ( -0.626 -3.346 -1.934) 3.915 0.691 ( 0.322 -3.346 -1.926) 3.874 0.691 ( -0.322 -3.346 1.926) 3.874 0.691 ( 0.626 -3.346 1.934) 3.915 0.815 ( -2.967 2.375 -2.135) 4.359 0.815 ( 2.256 2.375 -2.037) 3.857 0.815 ( -2.256 2.375 2.037) 3.857 0.815 ( 2.967 2.375 2.135) 4.359 0.891 ( -3.767 2.834 -2.381) 5.281 0.891 ( 2.895 2.834 -2.242) 4.630 0.891 ( -2.895 2.834 2.242) 4.630 0.891 ( 3.767 2.834 2.381) 5.281 0.939 ( -2.003 1.814 -2.067) 3.402 0.939 ( 1.985 1.814 -2.065) 3.390 0.939 ( -1.985 1.814 2.065) 3.390 0.939 ( 2.003 1.814 2.067) 3.402 1.003 ( -1.493 -0.619 -1.678) 2.330 1.003 ( 0.969 -0.619 -1.635) 1.998 1.003 ( -0.969 -0.619 1.635) 1.998 1.003 ( 1.493 -0.619 1.678) 2.330 1.093 ( -2.308 1.723 -1.072) 3.073 1.093 ( 2.307 1.723 -1.072) 3.072 1.093 ( -2.307 1.723 1.072) 3.072 1.093 ( 2.308 1.723 1.072) 3.073 1.142 ( -0.644 -2.955 -1.968) 3.609 1.142 ( 0.644 -2.955 -1.968) 3.608 1.142 ( -0.644 -2.955 1.968) 3.608 1.142 ( 0.644 -2.955 1.968) 3.609 1.228 ( -0.167 0.043 -3.765) 3.769 1.228 ( 0.128 0.043 -3.765) 3.768 1.228 ( -0.128 0.043 3.765) 3.768 1.228 ( 0.167 0.043 3.765) 3.769 1.285 ( -1.551 -2.078 -1.370) 2.932 1.285 ( 1.497 -2.078 -1.363) 2.901 1.285 ( -1.497 -2.078 1.363) 2.901 1.285 ( 1.551 -2.078 1.370) 2.932 1.374 ( -1.480 -1.130 -1.010) 2.118 1.374 ( 1.350 -1.130 -0.989) 2.020 1.374 ( -1.350 -1.130 0.989) 2.020 1.374 ( 1.480 -1.130 1.010) 2.118 1.446 ( -4.800 0.965 -0.608) 4.934 1.446 ( -4.448 0.965 -0.085) 4.552 1.446 ( 4.448 0.965 0.085) 4.552 1.446 ( 4.800 0.965 0.608) 4.934 1.528 ( -3.520 1.529 -1.602) 4.159 1.528 ( 0.711 1.529 -1.115) 2.021 1.528 ( -0.711 1.529 1.115) 2.021 1.528 ( 3.520 1.529 1.602) 4.159 1.557 ( -1.186 1.262 -1.810) 2.505 1.557 ( 1.092 1.262 -1.804) 2.457 1.557 ( -1.092 1.262 1.804) 2.457 1.557 ( 1.186 1.262 1.810) 2.505 1.612 ( -3.617 0.144 -1.587) 3.953 1.612 ( 3.537 0.144 -1.567) 3.871 1.612 ( -3.537 0.144 1.567) 3.871 1.612 ( 3.617 0.144 1.587) 3.953 1.694 ( -2.021 1.629 -2.056) 3.311 1.694 ( 1.960 1.629 -2.049) 3.270 1.694 ( -1.960 1.629 2.049) 3.270 1.694 ( 2.021 1.629 2.056) 3.311 1.738 ( -3.256 0.400 -2.783) 4.302 1.738 ( 3.243 0.400 -2.781) 4.291 1.738 ( -3.243 0.400 2.781) 4.291 1.738 ( 3.256 0.400 2.783) 4.302 1.801 ( -1.685 -0.975 -1.445) 2.425 1.801 ( 1.685 -0.975 -1.445) 2.424 1.801 ( -1.685 -0.975 1.445) 2.424 1.801 ( 1.685 -0.975 1.445) 2.425 1.835 ( -1.336 -1.555 -1.826) 2.746 1.835 ( 1.178 -1.555 -1.814) 2.664 1.835 ( -1.178 -1.555 1.814) 2.664 1.835 ( 1.336 -1.555 1.826) 2.746 1.913 ( -1.462 1.028 -2.343) 2.947 1.913 ( 1.396 1.028 -2.338) 2.911 1.913 ( -1.396 1.028 2.338) 2.911 1.913 ( 1.462 1.028 2.343) 2.947 1.961 ( -1.750 -0.420 -1.455) 2.315 1.961 ( 1.648 -0.420 -1.442) 2.230 1.961 ( -1.648 -0.420 1.442) 2.230 1.961 ( 1.750 -0.420 1.455) 2.315 2.052 ( -2.780 0.019 -0.626) 2.849 2.052 ( -2.621 0.019 0.545) 2.678 2.052 ( 2.621 0.019 -0.545) 2.678 2.052 ( 2.780 0.019 0.626) 2.849 2.132 ( -1.010 0.184 -1.357) 1.702 2.132 ( -0.129 0.184 -1.316) 1.335 2.132 ( 0.129 0.184 1.316) 1.335 2.132 ( 1.010 0.184 1.357) 1.702 2.179 ( -1.385 -2.009 -0.771) 2.559 2.179 ( 1.372 -2.009 -0.769) 2.551 2.179 ( -1.372 -2.009 0.769) 2.551 2.179 ( 1.385 -2.009 0.771) 2.559 2.282 ( -2.215 0.306 -1.486) 2.685 2.282 ( 0.041 0.306 -1.290) 1.326 2.282 ( -0.041 0.306 1.290) 1.326 2.282 ( 2.215 0.306 1.486) 2.685 2.363 ( -3.228 -1.773 -1.351) 3.923 2.363 ( 2.802 -1.773 -1.241) 3.540 2.363 ( -2.802 -1.773 1.241) 3.540 2.363 ( 3.228 -1.773 1.351) 3.923 2.430 ( -1.726 0.630 -1.067) 2.125 2.430 ( 1.040 0.630 -0.963) 1.551 2.430 ( -1.040 0.630 0.963) 1.551 2.430 ( 1.726 0.630 1.067) 2.125 2.576 ( -0.712 0.058 -2.986) 3.070 2.576 ( 0.711 0.058 -2.986) 3.070 2.576 ( -0.711 0.058 2.986) 3.070 2.576 ( 0.712 0.058 2.986) 3.070 2.658 ( -1.751 2.108 -1.907) 3.339 2.658 ( 1.624 2.108 -1.894) 3.266 2.658 ( -1.624 2.108 1.894) 3.266 2.658 ( 1.751 2.108 1.907) 3.339 2.702 ( -1.156 0.623 -0.553) 1.424 2.702 ( 1.086 0.623 -0.537) 1.362 2.702 ( -1.086 0.623 0.537) 1.362 2.702 ( 1.156 0.623 0.553) 1.424 2.763 ( -1.404 0.846 -1.433) 2.177 2.763 ( 0.945 0.846 -1.391) 1.882 2.763 ( -0.945 0.846 1.391) 1.882 2.763 ( 1.404 0.846 1.433) 2.177 2.796 ( -0.988 0.842 -0.851) 1.552 2.796 ( 0.574 0.842 -0.808) 1.301 2.796 ( -0.574 0.842 0.808) 1.301 2.796 ( 0.988 0.842 0.851) 1.552 2.875 ( -2.642 -0.828 -0.398) 2.797 2.875 ( -2.484 -0.828 0.262) 2.632 2.875 ( 2.484 -0.828 -0.262) 2.632 2.875 ( 2.642 -0.828 0.398) 2.797 3.073 ( -1.569 -0.172 -3.994) 4.295 3.073 ( 1.567 -0.172 -3.994) 4.294 3.073 ( -1.567 -0.172 3.994) 4.294 3.073 ( 1.569 -0.172 3.994) 4.295 3.157 ( -0.999 -0.805 -1.753) 2.173 3.157 ( 0.858 -0.805 -1.745) 2.104 3.157 ( -0.858 -0.805 1.745) 2.104 3.157 ( 0.999 -0.805 1.753) 2.173 3.386 ( -3.420 1.528 -2.640) 4.582 3.386 ( 3.360 1.528 -2.631) 4.533 3.386 ( -3.360 1.528 2.631) 4.533 3.386 ( 3.420 1.528 2.640) 4.582 3.541 ( -2.619 -2.090 -1.822) 3.814 3.541 ( 1.281 -2.090 -1.655) 2.957 3.541 ( -1.281 -2.090 1.655) 2.957 3.541 ( 2.619 -2.090 1.822) 3.814 3.603 ( -1.575 -1.104 -0.893) 2.121 3.603 ( 0.948 -1.104 -0.788) 1.655 3.603 ( -0.948 -1.104 0.788) 1.655 3.603 ( 1.575 -1.104 0.893) 2.121 3.688 ( -2.264 -3.658 -2.677) 5.067 3.688 ( 1.972 -3.658 -2.651) 4.929 3.688 ( -1.972 -3.658 2.651) 4.929 3.688 ( 2.264 -3.658 2.677) 5.067 3.882 ( -0.783 -0.134 -0.372) 0.877 3.882 ( 0.723 -0.134 -0.359) 0.818 3.882 ( -0.723 -0.134 0.359) 0.818 3.882 ( 0.783 -0.134 0.372) 0.877 4.447 ( -3.638 2.957 -5.351) 7.114 4.447 ( 3.087 2.957 -5.312) 6.818 4.447 ( -3.087 2.957 5.312) 6.818 4.447 ( 3.638 2.957 5.351) 7.114 4.657 ( -5.121 2.317 -8.172) 9.918 4.657 ( 4.926 2.317 -8.159) 9.808 4.657 ( -4.926 2.317 8.159) 9.808 4.657 ( 5.121 2.317 8.172) 9.918 5.631 ( -1.804 -1.356 -3.274) 3.976 5.631 ( 1.804 -1.356 -3.274) 3.976 5.631 ( -1.804 -1.356 3.274) 3.976 5.631 ( 1.804 -1.356 3.274) 3.976 7.921 ( -0.815 -0.280 -1.267) 1.533 7.921 ( 0.805 -0.280 -1.266) 1.526 7.921 ( -0.805 -0.280 1.266) 1.526 7.921 ( 0.815 -0.280 1.267) 1.533 8.236 ( -0.956 -0.180 -0.229) 0.999 8.236 ( -0.938 -0.180 0.220) 0.980 8.236 ( 0.938 -0.180 -0.220) 0.980 8.236 ( 0.956 -0.180 0.229) 0.999 8.755 ( -0.654 -0.210 -0.445) 0.818 8.755 ( 0.556 -0.210 -0.430) 0.733 8.755 ( -0.556 -0.210 0.430) 0.733 8.755 ( 0.654 -0.210 0.445) 0.818 8.794 ( -1.069 -1.250 -0.547) 1.733 8.794 ( 0.639 -1.250 -0.466) 1.479 8.794 ( -0.639 -1.250 0.466) 1.479 8.794 ( 1.069 -1.250 0.547) 1.733 9.031 ( -2.460 -0.686 -0.504) 2.603 9.031 ( -1.979 -0.686 0.128) 2.099 9.031 ( 1.979 -0.686 -0.128) 2.099 9.031 ( 2.460 -0.686 0.504) 2.603 9.412 ( -1.749 4.347 -1.590) 4.948 9.412 ( 1.437 4.347 -1.555) 4.835 9.412 ( -1.437 4.347 1.555) 4.835 9.412 ( 1.749 4.347 1.590) 4.948 9.804 ( -2.262 -3.144 -2.543) 4.633 9.804 ( 2.122 -3.144 -2.529) 4.559 9.804 ( -2.122 -3.144 2.529) 4.559 9.804 ( 2.262 -3.144 2.543) 4.633 10.346 ( -0.226 1.611 -1.186) 2.013 10.346 ( 0.120 1.611 -1.184) 2.003 10.346 ( -0.120 1.611 1.184) 2.003 10.346 ( 0.226 1.611 1.186) 2.013 10.409 ( -0.886 -0.753 -1.342) 1.776 10.409 ( 0.886 -0.753 -1.342) 1.776 10.409 ( -0.886 -0.753 1.342) 1.776 10.409 ( 0.886 -0.753 1.342) 1.776 11.296 ( -0.305 -0.030 -0.420) 0.519 11.296 ( 0.304 -0.030 -0.420) 0.519 11.296 ( -0.304 -0.030 0.420) 0.519 11.296 ( 0.305 -0.030 0.420) 0.519 13.544 ( -0.012 0.005 -0.025) 0.028 13.544 ( 0.012 0.005 -0.025) 0.028 13.544 ( -0.012 0.005 0.025) 0.028 13.544 ( 0.012 0.005 0.025) 0.028 ======================= Grid point 70 (25/27) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 15 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.618 ( 0.000 -1.894 -4.569) 4.946 0.618 ( 0.000 1.894 -4.569) 4.946 0.618 ( 0.000 -1.894 4.569) 4.946 0.618 ( 0.000 1.894 4.569) 4.946 0.676 ( 0.000 -1.321 -1.490) 1.991 0.676 ( 0.000 1.321 -1.490) 1.991 0.676 ( 0.000 -1.321 1.490) 1.991 0.676 ( 0.000 1.321 1.490) 1.991 0.797 ( 0.000 -7.200 -5.695) 9.180 0.797 ( 0.000 7.200 -5.695) 9.180 0.797 ( 0.000 -7.200 5.695) 9.180 0.797 ( 0.000 7.200 5.695) 9.180 0.871 ( 0.000 -0.920 -0.963) 1.332 0.871 ( 0.000 0.920 -0.963) 1.332 0.871 ( 0.000 -0.920 0.963) 1.332 0.871 ( 0.000 0.920 0.963) 1.332 0.939 ( 0.000 -0.761 -1.339) 1.540 0.939 ( 0.000 0.761 -1.339) 1.540 0.939 ( 0.000 -0.761 1.339) 1.540 0.939 ( 0.000 0.761 1.339) 1.540 1.010 ( 0.000 -1.861 -2.822) 3.380 1.010 ( 0.000 1.861 -2.822) 3.380 1.010 ( 0.000 -1.861 2.822) 3.380 1.010 ( 0.000 1.861 2.822) 3.380 1.084 ( 0.000 -0.531 -1.124) 1.243 1.084 ( 0.000 0.531 -1.124) 1.243 1.084 ( 0.000 -0.531 1.124) 1.243 1.084 ( 0.000 0.531 1.124) 1.243 1.183 ( 0.000 -2.607 -1.402) 2.960 1.183 ( 0.000 -2.607 1.402) 2.960 1.183 ( 0.000 2.607 -1.402) 2.960 1.183 ( 0.000 2.607 1.402) 2.960 1.240 ( 0.000 -3.371 -2.425) 4.153 1.240 ( 0.000 3.371 -2.425) 4.153 1.240 ( 0.000 -3.371 2.425) 4.153 1.240 ( 0.000 3.371 2.425) 4.153 1.284 ( 0.000 -0.194 -1.476) 1.488 1.284 ( 0.000 0.194 -1.476) 1.488 1.284 ( 0.000 -0.194 1.476) 1.488 1.284 ( 0.000 0.194 1.476) 1.488 1.363 ( 0.000 -2.897 -5.270) 6.014 1.363 ( 0.000 2.897 -5.270) 6.014 1.363 ( 0.000 -2.897 5.270) 6.014 1.363 ( 0.000 2.897 5.270) 6.014 1.401 ( 0.000 -0.891 -0.743) 1.160 1.401 ( 0.000 0.891 -0.743) 1.160 1.401 ( 0.000 -0.891 0.743) 1.160 1.401 ( 0.000 0.891 0.743) 1.160 1.500 ( 0.000 -1.266 -1.439) 1.916 1.500 ( 0.000 1.266 -1.439) 1.916 1.500 ( 0.000 -1.266 1.439) 1.916 1.500 ( 0.000 1.266 1.439) 1.916 1.559 ( 0.000 -2.049 -0.631) 2.144 1.559 ( 0.000 -2.049 0.631) 2.144 1.559 ( 0.000 2.049 -0.631) 2.144 1.559 ( 0.000 2.049 0.631) 2.144 1.627 ( 0.000 -0.452 -2.022) 2.072 1.627 ( 0.000 0.452 -2.022) 2.072 1.627 ( 0.000 -0.452 2.022) 2.072 1.627 ( 0.000 0.452 2.022) 2.072 1.694 ( 0.000 -0.191 -3.837) 3.842 1.694 ( 0.000 0.191 -3.837) 3.842 1.694 ( 0.000 -0.191 3.837) 3.842 1.694 ( 0.000 0.191 3.837) 3.842 1.740 ( 0.000 -1.543 -2.910) 3.294 1.740 ( 0.000 1.543 -2.910) 3.294 1.740 ( 0.000 -1.543 2.910) 3.294 1.740 ( 0.000 1.543 2.910) 3.294 1.809 ( 0.000 -1.763 -1.422) 2.265 1.809 ( 0.000 1.763 -1.422) 2.265 1.809 ( 0.000 -1.763 1.422) 2.265 1.809 ( 0.000 1.763 1.422) 2.265 1.866 ( 0.000 -0.187 -1.623) 1.634 1.866 ( 0.000 0.187 -1.623) 1.634 1.866 ( 0.000 -0.187 1.623) 1.634 1.866 ( 0.000 0.187 1.623) 1.634 1.912 ( 0.000 -0.176 -2.257) 2.264 1.912 ( 0.000 0.176 -2.257) 2.264 1.912 ( 0.000 -0.176 2.257) 2.264 1.912 ( 0.000 0.176 2.257) 2.264 1.959 ( 0.000 -0.725 -2.778) 2.871 1.959 ( 0.000 0.725 -2.778) 2.871 1.959 ( 0.000 -0.725 2.778) 2.871 1.959 ( 0.000 0.725 2.778) 2.871 2.053 ( 0.000 -2.204 -0.637) 2.295 2.053 ( 0.000 -2.204 0.637) 2.295 2.053 ( 0.000 2.204 -0.637) 2.295 2.053 ( 0.000 2.204 0.637) 2.295 2.131 ( 0.000 -1.586 -2.060) 2.599 2.131 ( 0.000 1.586 -2.060) 2.599 2.131 ( 0.000 -1.586 2.060) 2.599 2.131 ( 0.000 1.586 2.060) 2.599 2.150 ( 0.000 -0.930 -1.191) 1.511 2.150 ( 0.000 0.930 -1.191) 1.511 2.150 ( 0.000 -0.930 1.191) 1.511 2.150 ( 0.000 0.930 1.191) 1.511 2.240 ( 0.000 -0.625 -0.892) 1.090 2.240 ( 0.000 0.625 -0.892) 1.090 2.240 ( 0.000 -0.625 0.892) 1.090 2.240 ( 0.000 0.625 0.892) 1.090 2.383 ( 0.000 -2.460 -0.354) 2.485 2.383 ( 0.000 -2.460 0.354) 2.485 2.383 ( 0.000 2.460 -0.354) 2.485 2.383 ( 0.000 2.460 0.354) 2.485 2.499 ( 0.000 -1.002 -0.352) 1.062 2.499 ( 0.000 -1.002 0.352) 1.062 2.499 ( 0.000 1.002 -0.352) 1.062 2.499 ( 0.000 1.002 0.352) 1.062 2.576 ( 0.000 -1.077 -2.067) 2.331 2.576 ( 0.000 1.077 -2.067) 2.331 2.576 ( 0.000 -1.077 2.067) 2.331 2.576 ( 0.000 1.077 2.067) 2.331 2.620 ( 0.000 -0.934 -0.512) 1.065 2.620 ( 0.000 -0.934 0.512) 1.065 2.620 ( 0.000 0.934 -0.512) 1.065 2.620 ( 0.000 0.934 0.512) 1.065 2.690 ( 0.000 -0.031 -0.826) 0.826 2.690 ( 0.000 0.031 -0.826) 0.826 2.690 ( 0.000 -0.031 0.826) 0.826 2.690 ( 0.000 0.031 0.826) 0.826 2.734 ( 0.000 -0.123 -2.454) 2.457 2.734 ( 0.000 0.123 -2.454) 2.457 2.734 ( 0.000 -0.123 2.454) 2.457 2.734 ( 0.000 0.123 2.454) 2.457 2.780 ( 0.000 -0.514 -1.194) 1.300 2.780 ( 0.000 0.514 -1.194) 1.300 2.780 ( 0.000 -0.514 1.194) 1.300 2.780 ( 0.000 0.514 1.194) 1.300 2.909 ( 0.000 -0.087 -2.339) 2.341 2.909 ( 0.000 0.087 -2.339) 2.341 2.909 ( 0.000 -0.087 2.339) 2.341 2.909 ( 0.000 0.087 2.339) 2.341 3.076 ( 0.000 -2.140 -4.477) 4.962 3.076 ( 0.000 2.140 -4.477) 4.962 3.076 ( 0.000 -2.140 4.477) 4.962 3.076 ( 0.000 2.140 4.477) 4.962 3.212 ( 0.000 -1.177 -3.972) 4.142 3.212 ( 0.000 1.177 -3.972) 4.142 3.212 ( 0.000 -1.177 3.972) 4.142 3.212 ( 0.000 1.177 3.972) 4.142 3.338 ( 0.000 -3.990 -4.211) 5.801 3.338 ( 0.000 3.990 -4.211) 5.801 3.338 ( 0.000 -3.990 4.211) 5.801 3.338 ( 0.000 3.990 4.211) 5.801 3.541 ( 0.000 -0.173 -0.661) 0.683 3.541 ( 0.000 0.173 -0.661) 0.683 3.541 ( 0.000 -0.173 0.661) 0.683 3.541 ( 0.000 0.173 0.661) 0.683 3.631 ( 0.000 -2.641 -1.808) 3.200 3.631 ( 0.000 2.641 -1.808) 3.200 3.631 ( 0.000 -2.641 1.808) 3.200 3.631 ( 0.000 2.641 1.808) 3.200 3.654 ( 0.000 -0.269 -1.326) 1.353 3.654 ( 0.000 0.269 -1.326) 1.353 3.654 ( 0.000 -0.269 1.326) 1.353 3.654 ( 0.000 0.269 1.326) 1.353 3.885 ( 0.000 -1.239 -0.838) 1.496 3.885 ( 0.000 1.239 -0.838) 1.496 3.885 ( 0.000 -1.239 0.838) 1.496 3.885 ( 0.000 1.239 0.838) 1.496 4.461 ( 0.000 -4.016 -7.002) 8.072 4.461 ( 0.000 4.016 -7.002) 8.072 4.461 ( 0.000 -4.016 7.002) 8.072 4.461 ( 0.000 4.016 7.002) 8.072 4.676 ( 0.000 -6.650 -7.462) 9.995 4.676 ( 0.000 6.650 -7.462) 9.995 4.676 ( 0.000 -6.650 7.462) 9.995 4.676 ( 0.000 6.650 7.462) 9.995 5.619 ( 0.000 -2.656 -2.377) 3.565 5.619 ( 0.000 2.656 -2.377) 3.565 5.619 ( 0.000 -2.656 2.377) 3.565 5.619 ( 0.000 2.656 2.377) 3.565 7.888 ( 0.000 -0.529 -0.857) 1.007 7.888 ( 0.000 0.529 -0.857) 1.007 7.888 ( 0.000 -0.529 0.857) 1.007 7.888 ( 0.000 0.529 0.857) 1.007 8.260 ( 0.000 -0.934 -0.709) 1.172 8.260 ( 0.000 0.934 -0.709) 1.172 8.260 ( 0.000 -0.934 0.709) 1.172 8.260 ( 0.000 0.934 0.709) 1.172 8.745 ( 0.000 -1.468 -1.304) 1.963 8.745 ( 0.000 1.468 -1.304) 1.963 8.745 ( 0.000 -1.468 1.304) 1.963 8.745 ( 0.000 1.468 1.304) 1.963 8.775 ( 0.000 -0.303 -2.322) 2.342 8.775 ( 0.000 0.303 -2.322) 2.342 8.775 ( 0.000 -0.303 2.322) 2.342 8.775 ( 0.000 0.303 2.322) 2.342 8.987 ( 0.000 -3.769 -2.049) 4.290 8.987 ( 0.000 -3.769 2.049) 4.290 8.987 ( 0.000 3.769 -2.049) 4.290 8.987 ( 0.000 3.769 2.049) 4.290 9.475 ( 0.000 -2.424 -0.687) 2.519 9.475 ( 0.000 -2.424 0.687) 2.519 9.475 ( 0.000 2.424 -0.687) 2.519 9.475 ( 0.000 2.424 0.687) 2.519 9.750 ( 0.000 -2.736 -0.269) 2.749 9.750 ( 0.000 -2.736 0.269) 2.749 9.750 ( 0.000 2.736 -0.269) 2.749 9.750 ( 0.000 2.736 0.269) 2.749 10.369 ( 0.000 -1.305 -1.139) 1.732 10.369 ( 0.000 1.305 -1.139) 1.732 10.369 ( 0.000 -1.305 1.139) 1.732 10.369 ( 0.000 1.305 1.139) 1.732 10.414 ( 0.000 -2.447 -2.462) 3.471 10.414 ( 0.000 2.447 -2.462) 3.471 10.414 ( 0.000 -2.447 2.462) 3.471 10.414 ( 0.000 2.447 2.462) 3.471 11.295 ( 0.000 -0.411 -0.433) 0.597 11.295 ( 0.000 0.411 -0.433) 0.597 11.295 ( 0.000 -0.411 0.433) 0.597 11.295 ( 0.000 0.411 0.433) 0.597 13.545 ( 0.000 -0.019 -0.040) 0.044 13.545 ( 0.000 0.019 -0.040) 0.044 13.545 ( 0.000 -0.019 0.040) 0.044 13.545 ( 0.000 0.019 0.040) 0.044 ======================= Grid point 74 (26/27) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 18 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.221 -1.735 -2.852) 3.346 0.624 ( 0.221 1.717 -2.847) 3.333 0.624 ( 0.221 -1.717 2.847) 3.333 0.624 ( 0.221 1.735 2.852) 3.346 0.664 ( -0.824 -0.476 -1.675) 1.926 0.664 ( -0.824 0.469 -1.674) 1.923 0.664 ( -0.824 -0.469 1.674) 1.923 0.664 ( -0.824 0.476 1.675) 1.926 0.821 ( 1.766 -4.029 -3.151) 5.412 0.821 ( 1.766 0.553 -1.689) 2.505 0.821 ( 1.766 -0.553 1.689) 2.505 0.821 ( 1.766 4.029 3.151) 5.412 0.892 ( 1.967 -2.742 -1.687) 3.773 0.892 ( 1.967 -1.318 0.527) 2.426 0.892 ( 1.967 1.318 -0.527) 2.426 0.892 ( 1.967 2.742 1.687) 3.773 0.936 ( 0.269 -0.662 -1.725) 1.867 0.936 ( 0.269 0.499 -1.700) 1.792 0.936 ( 0.269 -0.499 1.700) 1.792 0.936 ( 0.269 0.662 1.725) 1.867 1.020 ( 0.301 -2.667 -2.321) 3.549 1.020 ( 0.301 2.666 -2.321) 3.547 1.020 ( 0.301 -2.666 2.321) 3.547 1.020 ( 0.301 2.667 2.321) 3.549 1.086 ( -0.378 -1.813 -2.089) 2.791 1.086 ( -0.378 1.769 -2.072) 2.750 1.086 ( -0.378 -1.769 2.072) 2.750 1.086 ( -0.378 1.813 2.089) 2.791 1.167 ( -0.750 -3.690 -1.514) 4.059 1.167 ( -0.750 -3.689 1.512) 4.057 1.167 ( -0.750 3.689 -1.512) 4.057 1.167 ( -0.750 3.690 1.514) 4.059 1.221 ( -1.380 -2.306 -3.351) 4.296 1.221 ( -1.380 1.007 -3.053) 3.498 1.221 ( -1.380 -1.007 3.053) 3.498 1.221 ( -1.380 2.306 3.351) 4.296 1.282 ( -1.142 -1.179 -2.186) 2.734 1.282 ( -1.142 0.410 -2.059) 2.390 1.282 ( -1.142 -0.410 2.059) 2.390 1.282 ( -1.142 1.179 2.186) 2.734 1.363 ( -0.161 -1.549 -1.113) 1.914 1.363 ( -0.161 0.063 -0.417) 0.452 1.363 ( -0.161 -0.063 0.417) 0.452 1.363 ( -0.161 1.549 1.113) 1.914 1.409 ( 2.207 -2.418 -3.449) 4.755 1.409 ( 2.207 0.886 -3.105) 3.911 1.409 ( 2.207 -0.886 3.105) 3.911 1.409 ( 2.207 2.418 3.449) 4.755 1.525 ( 2.219 -1.957 -1.252) 3.213 1.525 ( 2.219 -0.689 -0.277) 2.340 1.525 ( 2.219 0.689 0.277) 2.340 1.525 ( 2.219 1.957 1.252) 3.213 1.560 ( 0.003 -1.885 -1.580) 2.460 1.560 ( 0.003 -0.391 -0.992) 1.066 1.560 ( 0.003 0.391 0.992) 1.066 1.560 ( 0.003 1.885 1.580) 2.460 1.631 ( -0.112 -0.809 -2.093) 2.246 1.631 ( -0.112 0.040 -2.022) 2.025 1.631 ( -0.112 -0.040 2.022) 2.025 1.631 ( -0.112 0.809 2.093) 2.246 1.704 ( 0.440 -1.257 -2.669) 2.983 1.704 ( 0.440 1.163 -2.650) 2.928 1.704 ( 0.440 -1.163 2.650) 2.928 1.704 ( 0.440 1.257 2.669) 2.983 1.732 ( -0.063 -1.693 -1.717) 2.412 1.732 ( -0.063 1.057 -1.474) 1.814 1.732 ( -0.063 -1.057 1.474) 1.814 1.732 ( -0.063 1.693 1.717) 2.412 1.809 ( -0.404 -2.854 -2.348) 3.718 1.809 ( -0.404 1.395 -1.661) 2.206 1.809 ( -0.404 -1.395 1.661) 2.206 1.809 ( -0.404 2.854 2.348) 3.718 1.845 ( -1.623 -1.633 -0.703) 2.407 1.845 ( -1.623 -1.335 0.319) 2.125 1.845 ( -1.623 1.335 -0.319) 2.125 1.845 ( -1.623 1.633 0.703) 2.407 1.915 ( -0.188 -0.512 -2.633) 2.689 1.915 ( -0.188 0.393 -2.623) 2.659 1.915 ( -0.188 -0.393 2.623) 2.659 1.915 ( -0.188 0.512 2.633) 2.689 1.961 ( 0.328 -1.379 -0.845) 1.650 1.961 ( 0.328 -0.930 0.503) 1.107 1.961 ( 0.328 0.930 -0.503) 1.107 1.961 ( 0.328 1.379 0.845) 1.650 2.055 ( -0.109 -2.821 -2.008) 3.464 2.055 ( -0.109 -0.606 -0.812) 1.019 2.055 ( -0.109 0.606 0.812) 1.019 2.055 ( -0.109 2.821 2.008) 3.464 2.116 ( 0.230 -1.243 -1.500) 1.962 2.116 ( 0.230 1.089 -1.446) 1.825 2.116 ( 0.230 -1.089 1.446) 1.825 2.116 ( 0.230 1.243 1.500) 1.962 2.168 ( 0.016 -0.602 -1.842) 1.938 2.168 ( 0.016 0.589 -1.840) 1.932 2.168 ( 0.016 -0.589 1.840) 1.932 2.168 ( 0.016 0.602 1.842) 1.938 2.254 ( 1.616 -1.041 -2.326) 3.018 2.254 ( 1.616 0.671 -2.265) 2.862 2.254 ( 1.616 -0.671 2.265) 2.862 2.254 ( 1.616 1.041 2.326) 3.018 2.361 ( -1.207 -2.287 -0.477) 2.630 2.361 ( -1.207 -2.267 0.432) 2.604 2.361 ( -1.207 2.267 -0.432) 2.604 2.361 ( -1.207 2.287 0.477) 2.630 2.470 ( -2.306 -0.835 -0.578) 2.520 2.470 ( -2.306 0.403 -0.311) 2.362 2.470 ( -2.306 -0.403 0.311) 2.362 2.470 ( -2.306 0.835 0.578) 2.520 2.572 ( -0.323 -0.853 -1.713) 1.940 2.572 ( -0.323 0.745 -1.690) 1.875 2.572 ( -0.323 -0.745 1.690) 1.875 2.572 ( -0.323 0.853 1.713) 1.940 2.672 ( 2.600 -2.203 -0.231) 3.416 2.672 ( 2.600 -2.176 -0.036) 3.391 2.672 ( 2.600 2.176 0.036) 3.391 2.672 ( 2.600 2.203 0.231) 3.416 2.695 ( 0.987 -0.181 -1.192) 1.558 2.695 ( 0.987 0.131 -1.189) 1.550 2.695 ( 0.987 -0.131 1.189) 1.550 2.695 ( 0.987 0.181 1.192) 1.558 2.750 ( 0.931 -1.148 -1.390) 2.029 2.750 ( 0.931 0.665 -1.242) 1.689 2.750 ( 0.931 -0.665 1.242) 1.689 2.750 ( 0.931 1.148 1.390) 2.029 2.789 ( 1.562 -1.238 -1.892) 2.748 2.789 ( 1.562 0.427 -1.726) 2.367 2.789 ( 1.562 -0.427 1.726) 2.367 2.789 ( 1.562 1.238 1.892) 2.748 2.887 ( -1.931 -1.869 -1.612) 3.134 2.887 ( -1.931 1.371 -1.371) 2.736 2.887 ( -1.931 -1.371 1.371) 2.736 2.887 ( -1.931 1.869 1.612) 3.134 3.073 ( -0.081 -1.637 -4.022) 4.343 3.073 ( -0.081 1.501 -3.998) 4.272 3.073 ( -0.081 -1.501 3.998) 4.272 3.073 ( -0.081 1.637 4.022) 4.343 3.179 ( -2.673 -1.159 -3.585) 4.620 3.179 ( -2.673 1.089 -3.575) 4.595 3.179 ( -2.673 -1.089 3.575) 4.595 3.179 ( -2.673 1.159 3.585) 4.620 3.369 ( 2.780 -3.532 -3.716) 5.832 3.369 ( 2.780 2.798 -3.427) 5.225 3.369 ( 2.780 -2.798 3.427) 5.225 3.369 ( 2.780 3.532 3.716) 5.832 3.536 ( -1.731 -2.781 -2.230) 3.962 3.536 ( -1.731 0.188 -1.246) 2.141 3.536 ( -1.731 -0.188 1.246) 2.141 3.536 ( -1.731 2.781 2.230) 3.962 3.593 ( -1.007 -0.428 -0.711) 1.305 3.593 ( -1.007 0.356 -0.693) 1.273 3.593 ( -1.007 -0.356 0.693) 1.273 3.593 ( -1.007 0.428 0.711) 1.305 3.665 ( -0.322 -1.948 -0.203) 1.984 3.665 ( -0.322 -1.924 -0.004) 1.950 3.665 ( -0.322 1.924 0.004) 1.950 3.665 ( -0.322 1.948 0.203) 1.984 3.882 ( -0.174 -0.837 -0.593) 1.040 3.882 ( -0.174 0.088 -0.208) 0.285 3.882 ( -0.174 -0.088 0.208) 0.285 3.882 ( -0.174 0.837 0.593) 1.040 4.469 ( 0.609 -3.751 -5.096) 6.357 4.469 ( 0.609 2.816 -4.821) 5.616 4.469 ( 0.609 -2.816 4.821) 5.616 4.469 ( 0.609 3.751 5.096) 6.357 4.682 ( 0.496 -5.417 -5.512) 7.744 4.682 ( 0.496 4.434 -5.107) 6.782 4.682 ( 0.496 -4.434 5.107) 6.782 4.682 ( 0.496 5.417 5.512) 7.744 5.616 ( -0.184 -1.942 -1.729) 2.606 5.616 ( -0.184 1.933 -1.724) 2.597 5.616 ( -0.184 -1.933 1.724) 2.597 5.616 ( -0.184 1.942 1.729) 2.606 7.903 ( 1.156 -0.580 -0.538) 1.400 7.903 ( 1.156 -0.011 -0.374) 1.215 7.903 ( 1.156 0.011 0.374) 1.215 7.903 ( 1.156 0.580 0.538) 1.400 8.246 ( -1.039 -0.821 -0.492) 1.413 8.246 ( -1.039 -0.370 0.059) 1.105 8.246 ( -1.039 0.370 -0.059) 1.105 8.246 ( -1.039 0.821 0.492) 1.413 8.751 ( 0.436 -0.857 -1.164) 1.510 8.751 ( 0.436 0.215 -1.024) 1.134 8.751 ( 0.436 -0.215 1.024) 1.134 8.751 ( 0.436 0.857 1.164) 1.510 8.775 ( 0.028 -0.760 -1.811) 1.964 8.775 ( 0.028 0.672 -1.795) 1.917 8.775 ( 0.028 -0.672 1.795) 1.917 8.775 ( 0.028 0.760 1.811) 1.964 9.005 ( 1.471 -2.509 -1.474) 3.260 9.005 ( 1.471 -2.415 1.403) 3.156 9.005 ( 1.471 2.415 -1.403) 3.156 9.005 ( 1.471 2.509 1.474) 3.260 9.473 ( -0.232 -1.724 -0.440) 1.795 9.473 ( -0.232 -1.723 0.437) 1.793 9.473 ( -0.232 1.723 -0.437) 1.793 9.473 ( -0.232 1.724 0.440) 1.795 9.755 ( 0.413 -2.234 -0.214) 2.282 9.755 ( 0.413 -2.230 0.192) 2.276 9.755 ( 0.413 2.230 -0.192) 2.276 9.755 ( 0.413 2.234 0.214) 2.282 10.371 ( 0.148 -1.372 -1.079) 1.751 10.371 ( 0.148 1.249 -1.011) 1.613 10.371 ( 0.148 -1.249 1.011) 1.613 10.371 ( 0.148 1.372 1.079) 1.751 10.403 ( -0.874 -2.082 -1.939) 2.977 10.403 ( -0.874 2.080 -1.939) 2.975 10.403 ( -0.874 -2.080 1.939) 2.975 10.403 ( -0.874 2.082 1.939) 2.977 11.295 ( 0.024 -0.305 -0.301) 0.429 11.295 ( 0.024 0.233 -0.271) 0.358 11.295 ( 0.024 -0.233 0.271) 0.358 11.295 ( 0.024 0.305 0.301) 0.429 13.545 ( -0.036 -0.013 -0.028) 0.048 13.545 ( -0.036 0.013 -0.028) 0.048 13.545 ( -0.036 -0.013 0.028) 0.048 13.545 ( -0.036 0.013 0.028) 0.048 ======================= Grid point 78 (27/27) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 2.72e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 14 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.632 ( -0.000 0.000 -0.000) 0.000 0.632 ( 0.000 0.000 -0.000) 0.000 0.632 ( -0.000 0.000 0.000) 0.000 0.632 ( -0.000 0.000 0.000) 0.000 0.645 ( 0.000 -0.000 -0.000) 0.000 0.645 ( 0.000 0.000 0.000) 0.000 0.645 ( 0.000 0.000 0.000) 0.000 0.645 ( 0.000 0.000 0.000) 0.000 0.855 ( 0.000 0.000 0.000) 0.000 0.855 ( 0.000 0.000 0.000) 0.000 0.855 ( 0.000 0.000 0.000) 0.000 0.855 ( 0.000 0.000 0.000) 0.000 0.917 ( 0.000 -0.000 -0.000) 0.000 0.917 ( 0.000 0.000 0.000) 0.000 0.917 ( 0.000 0.000 0.000) 0.000 0.917 ( 0.000 0.000 0.000) 0.000 0.943 ( 0.000 0.000 0.000) 0.000 0.943 ( 0.000 0.000 0.000) 0.000 0.943 ( 0.000 0.000 0.000) 0.000 0.943 ( 0.000 0.000 0.000) 0.000 1.003 ( 0.000 -0.000 0.000) 0.000 1.003 ( 0.000 0.000 0.000) 0.000 1.003 ( 0.000 0.000 0.000) 0.000 1.003 ( 0.000 0.000 0.000) 0.000 1.097 ( 0.000 0.000 -0.000) 0.000 1.097 ( 0.000 0.000 0.000) 0.000 1.097 ( 0.000 0.000 -0.000) 0.000 1.097 ( 0.000 0.000 0.000) 0.000 1.142 ( -0.000 0.000 -0.000) 0.000 1.142 ( 0.000 0.000 0.000) 0.000 1.142 ( -0.000 0.000 0.000) 0.000 1.142 ( 0.000 0.000 0.000) 0.000 1.234 ( -0.000 -0.000 -0.000) 0.000 1.234 ( 0.000 -0.000 -0.000) 0.000 1.234 ( -0.000 0.000 0.000) 0.000 1.234 ( -0.000 0.000 0.000) 0.000 1.236 ( -0.000 0.000 -0.000) 0.000 1.236 ( 0.000 -0.000 0.000) 0.000 1.236 ( 0.000 0.000 -0.000) 0.000 1.236 ( 0.000 0.000 0.000) 0.000 1.364 ( 0.000 0.000 -0.000) 0.000 1.364 ( 0.000 0.000 -0.000) 0.000 1.364 ( 0.000 0.000 0.000) 0.000 1.364 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 -0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.463 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 -0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.535 ( 0.000 0.000 0.000) 0.000 1.588 ( -0.000 -0.000 0.000) 0.000 1.588 ( -0.000 0.000 -0.000) 0.000 1.588 ( 0.000 0.000 0.000) 0.000 1.588 ( -0.000 0.000 0.000) 0.000 1.600 ( -0.000 -0.000 -0.000) 0.000 1.600 ( 0.000 0.000 -0.000) 0.000 1.600 ( 0.000 0.000 0.000) 0.000 1.600 ( 0.000 0.000 0.000) 0.000 1.728 ( 0.000 -0.000 -0.000) 0.000 1.728 ( 0.000 0.000 -0.000) 0.000 1.728 ( 0.000 0.000 0.000) 0.000 1.728 ( -0.000 0.000 0.000) 0.000 1.735 ( 0.000 0.000 -0.000) 0.000 1.735 ( -0.000 0.000 -0.000) 0.000 1.735 ( -0.000 -0.000 0.000) 0.000 1.735 ( 0.000 -0.000 0.000) 0.000 1.791 ( 0.000 0.000 -0.000) 0.000 1.791 ( 0.000 0.000 -0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 1.791 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 -0.000 -0.000) 0.000 1.810 ( -0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.810 ( 0.000 0.000 0.000) 0.000 1.933 ( -0.000 0.000 -0.000) 0.000 1.933 ( 0.000 0.000 -0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 1.933 ( -0.000 0.000 0.000) 0.000 1.947 ( 0.000 -0.000 -0.000) 0.000 1.947 ( 0.000 -0.000 -0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.057 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 -0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.128 ( 0.000 0.000 0.000) 0.000 2.158 ( -0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.158 ( 0.000 0.000 0.000) 0.000 2.281 ( -0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 -0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.439 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.566 ( 0.000 0.000 0.000) 0.000 2.689 ( -0.000 -0.000 -0.000) 0.000 2.689 ( 0.000 -0.000 0.000) 0.000 2.689 ( 0.000 0.000 0.000) 0.000 2.689 ( -0.000 -0.000 0.000) 0.000 2.711 ( 0.000 -0.000 0.000) 0.000 2.711 ( 0.000 0.000 -0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.711 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.821 ( -0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.821 ( 0.000 0.000 0.000) 0.000 2.821 ( -0.000 0.000 0.000) 0.000 2.855 ( -0.000 -0.000 -0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 2.855 ( 0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 -0.000) 0.000 3.076 ( -0.000 -0.000 0.000) 0.000 3.076 ( -0.000 0.000 0.000) 0.000 3.076 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 -0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 -0.000) 0.000 3.418 ( 0.000 0.000 -0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.418 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 -0.000) 0.000 3.489 ( 0.000 0.000 -0.000) 0.000 3.489 ( 0.000 0.000 -0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 -0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.597 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.653 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 3.880 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 -0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 5.614 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 7.918 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.756 ( 0.000 0.000 -0.000) 0.000 8.756 ( 0.000 0.000 -0.000) 0.000 8.756 ( 0.000 0.000 0.000) 0.000 8.756 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 -0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 8.776 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.024 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 9.469 ( 0.000 0.000 0.000) 0.000 9.760 ( 0.000 0.000 0.000) 0.000 9.760 ( 0.000 0.000 0.000) 0.000 9.760 ( 0.000 0.000 0.000) 0.000 9.760 ( 0.000 0.000 0.000) 0.000 10.374 ( 0.000 -0.000 -0.000) 0.000 10.374 ( -0.000 -0.000 -0.000) 0.000 10.374 ( 0.000 0.000 0.000) 0.000 10.374 ( 0.000 0.000 0.000) 0.000 10.391 ( -0.000 -0.000 0.000) 0.000 10.391 ( 0.000 0.000 -0.000) 0.000 10.391 ( -0.000 0.000 0.000) 0.000 10.391 ( 0.000 0.000 0.000) 0.000 11.295 ( 0.000 0.000 0.000) 0.000 11.295 ( 0.000 0.000 0.000) 0.000 11.295 ( 0.000 0.000 0.000) 0.000 11.295 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 13.544 ( 0.000 0.000 0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/13824 10.0 11.188 10.710 9.782 0.000 0.000 0.000 3/13824 20.0 2.635 2.540 2.290 0.000 0.000 0.000 3/13824 30.0 1.381 1.314 1.194 0.000 0.000 0.000 3/13824 40.0 0.939 0.889 0.815 0.000 0.000 0.000 3/13824 50.0 0.719 0.683 0.629 0.000 0.000 0.000 3/13824 60.0 0.587 0.561 0.519 0.000 0.000 0.000 3/13824 70.0 0.498 0.480 0.445 0.000 0.000 0.000 3/13824 80.0 0.434 0.422 0.391 0.000 0.000 0.000 3/13824 90.0 0.385 0.377 0.349 0.000 0.000 0.000 3/13824 100.0 0.346 0.342 0.316 0.000 0.000 0.000 3/13824 110.0 0.315 0.313 0.289 0.000 0.000 0.000 3/13824 120.0 0.289 0.289 0.266 0.000 0.000 0.000 3/13824 130.0 0.267 0.268 0.246 0.000 0.000 0.000 3/13824 140.0 0.249 0.250 0.230 0.000 0.000 0.000 3/13824 150.0 0.232 0.235 0.215 0.000 0.000 0.000 3/13824 160.0 0.218 0.221 0.202 0.000 0.000 0.000 3/13824 170.0 0.205 0.209 0.191 0.000 0.000 0.000 3/13824 180.0 0.194 0.198 0.180 0.000 0.000 0.000 3/13824 190.0 0.184 0.188 0.171 0.000 0.000 0.000 3/13824 200.0 0.175 0.179 0.163 0.000 0.000 0.000 3/13824 210.0 0.167 0.171 0.155 0.000 0.000 0.000 3/13824 220.0 0.159 0.164 0.149 0.000 0.000 0.000 3/13824 230.0 0.153 0.157 0.142 0.000 0.000 0.000 3/13824 240.0 0.146 0.151 0.137 0.000 0.000 0.000 3/13824 250.0 0.140 0.145 0.131 0.000 0.000 0.000 3/13824 260.0 0.135 0.140 0.126 0.000 0.000 0.000 3/13824 270.0 0.130 0.135 0.122 0.000 0.000 0.000 3/13824 280.0 0.126 0.130 0.117 0.000 0.000 0.000 3/13824 290.0 0.121 0.126 0.113 0.000 0.000 0.000 3/13824 300.0 0.117 0.122 0.110 0.000 0.000 0.000 3/13824 310.0 0.114 0.118 0.106 0.000 0.000 0.000 3/13824 320.0 0.110 0.114 0.103 0.000 0.000 0.000 3/13824 330.0 0.107 0.111 0.100 0.000 0.000 0.000 3/13824 340.0 0.104 0.108 0.097 0.000 0.000 0.000 3/13824 350.0 0.101 0.105 0.094 0.000 0.000 0.000 3/13824 360.0 0.098 0.102 0.092 0.000 0.000 0.000 3/13824 370.0 0.095 0.099 0.089 0.000 0.000 0.000 3/13824 380.0 0.093 0.097 0.087 0.000 0.000 0.000 3/13824 390.0 0.090 0.094 0.085 0.000 0.000 0.000 3/13824 400.0 0.088 0.092 0.083 0.000 0.000 0.000 3/13824 410.0 0.086 0.090 0.081 0.000 0.000 0.000 3/13824 420.0 0.084 0.087 0.079 0.000 0.000 0.000 3/13824 430.0 0.082 0.085 0.077 0.000 0.000 0.000 3/13824 440.0 0.080 0.084 0.075 0.000 0.000 0.000 3/13824 450.0 0.078 0.082 0.074 0.000 0.000 0.000 3/13824 460.0 0.077 0.080 0.072 0.000 0.000 0.000 3/13824 470.0 0.075 0.078 0.070 0.000 0.000 0.000 3/13824 480.0 0.074 0.077 0.069 0.000 0.000 0.000 3/13824 490.0 0.072 0.075 0.068 0.000 0.000 0.000 3/13824 500.0 0.071 0.074 0.066 0.000 0.000 0.000 3/13824 510.0 0.069 0.072 0.065 0.000 0.000 0.000 3/13824 520.0 0.068 0.071 0.064 0.000 0.000 0.000 3/13824 530.0 0.067 0.070 0.063 0.000 0.000 0.000 3/13824 540.0 0.065 0.068 0.061 0.000 0.000 0.000 3/13824 550.0 0.064 0.067 0.060 0.000 0.000 0.000 3/13824 560.0 0.063 0.066 0.059 0.000 0.000 0.000 3/13824 570.0 0.062 0.065 0.058 0.000 0.000 0.000 3/13824 580.0 0.061 0.064 0.057 0.000 0.000 0.000 3/13824 590.0 0.060 0.063 0.056 0.000 0.000 0.000 3/13824 600.0 0.059 0.062 0.055 0.000 0.000 0.000 3/13824 610.0 0.058 0.061 0.054 0.000 0.000 0.000 3/13824 620.0 0.057 0.060 0.053 0.000 0.000 0.000 3/13824 630.0 0.056 0.059 0.053 0.000 0.000 0.000 3/13824 640.0 0.055 0.058 0.052 0.000 0.000 0.000 3/13824 650.0 0.054 0.057 0.051 0.000 0.000 0.000 3/13824 660.0 0.054 0.056 0.050 0.000 0.000 0.000 3/13824 670.0 0.053 0.055 0.050 0.000 0.000 0.000 3/13824 680.0 0.052 0.054 0.049 0.000 0.000 0.000 3/13824 690.0 0.051 0.054 0.048 0.000 0.000 0.000 3/13824 700.0 0.051 0.053 0.047 0.000 0.000 0.000 3/13824 710.0 0.050 0.052 0.047 0.000 0.000 0.000 3/13824 720.0 0.049 0.051 0.046 0.000 0.000 0.000 3/13824 730.0 0.048 0.051 0.045 0.000 0.000 0.000 3/13824 740.0 0.048 0.050 0.045 0.000 0.000 0.000 3/13824 750.0 0.047 0.049 0.044 0.000 0.000 0.000 3/13824 760.0 0.047 0.049 0.044 0.000 0.000 0.000 3/13824 770.0 0.046 0.048 0.043 0.000 0.000 0.000 3/13824 780.0 0.045 0.047 0.043 0.000 0.000 0.000 3/13824 790.0 0.045 0.047 0.042 0.000 0.000 0.000 3/13824 800.0 0.044 0.046 0.041 0.000 0.000 0.000 3/13824 810.0 0.044 0.046 0.041 0.000 0.000 0.000 3/13824 820.0 0.043 0.045 0.040 0.000 0.000 0.000 3/13824 830.0 0.043 0.045 0.040 0.000 0.000 0.000 3/13824 840.0 0.042 0.044 0.040 0.000 0.000 0.000 3/13824 850.0 0.042 0.044 0.039 0.000 0.000 0.000 3/13824 860.0 0.041 0.043 0.039 0.000 0.000 0.000 3/13824 870.0 0.041 0.043 0.038 0.000 0.000 0.000 3/13824 880.0 0.040 0.042 0.038 0.000 0.000 0.000 3/13824 890.0 0.040 0.042 0.037 0.000 0.000 0.000 3/13824 900.0 0.039 0.041 0.037 0.000 0.000 0.000 3/13824 910.0 0.039 0.041 0.036 0.000 0.000 0.000 3/13824 920.0 0.038 0.040 0.036 0.000 0.000 0.000 3/13824 930.0 0.038 0.040 0.036 0.000 0.000 0.000 3/13824 940.0 0.038 0.039 0.035 0.000 0.000 0.000 3/13824 950.0 0.037 0.039 0.035 0.000 0.000 0.000 3/13824 960.0 0.037 0.039 0.035 0.000 0.000 0.000 3/13824 970.0 0.036 0.038 0.034 0.000 0.000 0.000 3/13824 980.0 0.036 0.038 0.034 0.000 0.000 0.000 3/13824 990.0 0.036 0.037 0.034 0.000 0.000 0.000 3/13824 1000.0 0.035 0.037 0.033 0.000 0.000 0.000 3/13824 Thermal conductivity related properties were written into "kappa-m444.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:17:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|