----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:29:04]------------------------- 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: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.832812209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 17.653922959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.154944170000000 Atomic positions (fractional): *1 Y 0.98733872420085 0.90877233973848 0.87275780523280 88.906 2 Y 0.01266127579915 0.40877233973848 0.12724219476720 88.906 3 Y 0.48733872420085 0.59122766026152 0.62724219476720 88.906 *4 Y 0.29155968376749 0.25000000000000 0.88596271382430 88.906 5 Y 0.01266127579915 0.09122766026152 0.12724219476720 88.906 6 Y 0.48733872420085 0.90877233973848 0.62724219476720 88.906 7 Y 0.51266127579915 0.09122766026152 0.37275780523280 88.906 8 Y 0.51266127579915 0.40877233973848 0.37275780523280 88.906 9 Y 0.20844031623251 0.75000000000000 0.38596271382429 88.906 10 Y 0.70844031623251 0.75000000000000 0.11403728617570 88.906 11 Y 0.79155968376749 0.25000000000000 0.61403728617570 88.906 12 Y 0.98733872420085 0.59122766026152 0.87275780523280 88.906 *13 Si 0.02162685644982 0.09972738737299 0.62226226526003 28.085 14 Si 0.47837314355018 0.90027261262701 0.12226226526003 28.085 15 Si 0.97837314355018 0.90027261262701 0.37773773473997 28.085 16 Si 0.02162685644982 0.40027261262701 0.62226226526003 28.085 17 Si 0.52162685644982 0.40027261262701 0.87773773473997 28.085 18 Si 0.97837314355018 0.59972738737299 0.37773773473997 28.085 19 Si 0.47837314355018 0.59972738737299 0.12226226526003 28.085 20 Si 0.52162685644982 0.09972738737299 0.87773773473997 28.085 *21 Cl 0.45533957479596 0.75000000000000 0.74200848615341 35.453 22 Cl 0.95533957479596 0.75000000000000 0.75799151384659 35.453 23 Cl 0.04466042520404 0.25000000000000 0.24200848615341 35.453 24 Cl 0.54466042520404 0.25000000000000 0.25799151384659 35.453 *25 O 0.17037767314836 0.61899703777162 0.53220500316433 15.999 *26 O 0.69605573703357 0.09499486605842 0.05544336790348 15.999 *27 O 0.48967081716497 0.97022132242767 0.29219119638706 15.999 28 O 0.69605573703357 0.40500513394158 0.05544336790348 15.999 *29 O 0.46921309646437 0.67649554251559 0.27907433719936 15.999 30 O 0.30394426296643 0.90500513394158 0.94455663209652 15.999 31 O 0.80394426296643 0.59499486605842 0.55544336790348 15.999 32 O 0.03078690353563 0.17649554251559 0.77907433719936 15.999 33 O 0.51032918283503 0.02977867757233 0.70780880361294 15.999 34 O 0.82962232685165 0.11899703777162 0.46779499683567 15.999 35 O 0.96921309646438 0.82350445748441 0.22092566280064 15.999 36 O 0.32962232685164 0.38100296222838 0.03220500316433 15.999 37 O 0.01032918283503 0.02977867757233 0.79219119638706 15.999 38 O 0.03078690353563 0.32350445748440 0.77907433719936 15.999 39 O 0.67037767314835 0.88100296222838 0.96779499683567 15.999 40 O 0.51032918283503 0.47022132242767 0.70780880361294 15.999 41 O 0.48967081716497 0.52977867757233 0.29219119638706 15.999 42 O 0.82962232685165 0.38100296222838 0.46779499683567 15.999 43 O 0.53078690353562 0.17649554251559 0.72092566280064 15.999 44 O 0.98967081716497 0.52977867757233 0.20780880361294 15.999 45 O 0.46921309646437 0.82350445748441 0.27907433719936 15.999 46 O 0.53078690353562 0.32350445748440 0.72092566280064 15.999 47 O 0.01032918283503 0.47022132242767 0.79219119638706 15.999 48 O 0.96921309646438 0.67649554251559 0.22092566280064 15.999 49 O 0.19605573703357 0.09499486605842 0.44455663209652 15.999 50 O 0.19605573703357 0.40500513394158 0.44455663209652 15.999 51 O 0.98967081716497 0.97022132242767 0.20780880361294 15.999 52 O 0.80394426296643 0.90500513394158 0.55544336790348 15.999 53 O 0.30394426296643 0.59499486605842 0.94455663209652 15.999 54 O 0.32962232685164 0.11899703777162 0.03220500316433 15.999 55 O 0.67037767314835 0.61899703777162 0.96779499683567 15.999 56 O 0.17037767314836 0.88100296222838 0.53220500316433 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.832812209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 17.653922959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.154944170000000 Atomic positions (fractional): *1 Y 0.98733872420085 0.90877233973848 0.87275780523280 88.906 > 1 2 Y 0.01266127579915 0.40877233973848 0.12724219476720 88.906 > 2 3 Y 0.48733872420085 0.59122766026152 0.62724219476720 88.906 > 3 *4 Y 0.29155968376749 0.25000000000000 0.88596271382430 88.906 > 4 5 Y 0.01266127579915 0.09122766026152 0.12724219476720 88.906 > 5 6 Y 0.48733872420085 0.90877233973848 0.62724219476720 88.906 > 6 7 Y 0.51266127579915 0.09122766026152 0.37275780523280 88.906 > 7 8 Y 0.51266127579915 0.40877233973848 0.37275780523280 88.906 > 8 9 Y 0.20844031623251 0.75000000000000 0.38596271382429 88.906 > 9 10 Y 0.70844031623251 0.75000000000000 0.11403728617570 88.906 > 10 11 Y 0.79155968376749 0.25000000000000 0.61403728617570 88.906 > 11 12 Y 0.98733872420085 0.59122766026152 0.87275780523280 88.906 > 12 *13 Si 0.02162685644982 0.09972738737299 0.62226226526003 28.085 > 13 14 Si 0.47837314355018 0.90027261262701 0.12226226526003 28.085 > 14 15 Si 0.97837314355018 0.90027261262701 0.37773773473997 28.085 > 15 16 Si 0.02162685644982 0.40027261262701 0.62226226526003 28.085 > 16 17 Si 0.52162685644982 0.40027261262701 0.87773773473997 28.085 > 17 18 Si 0.97837314355018 0.59972738737299 0.37773773473997 28.085 > 18 19 Si 0.47837314355018 0.59972738737299 0.12226226526003 28.085 > 19 20 Si 0.52162685644982 0.09972738737299 0.87773773473997 28.085 > 20 *21 Cl 0.45533957479596 0.75000000000000 0.74200848615341 35.453 > 21 22 Cl 0.95533957479596 0.75000000000000 0.75799151384659 35.453 > 22 23 Cl 0.04466042520404 0.25000000000000 0.24200848615341 35.453 > 23 24 Cl 0.54466042520404 0.25000000000000 0.25799151384659 35.453 > 24 *25 O 0.17037767314836 0.61899703777162 0.53220500316433 15.999 > 25 *26 O 0.69605573703357 0.09499486605842 0.05544336790348 15.999 > 26 *27 O 0.48967081716497 0.97022132242767 0.29219119638706 15.999 > 27 28 O 0.69605573703357 0.40500513394158 0.05544336790348 15.999 > 28 *29 O 0.46921309646437 0.67649554251559 0.27907433719936 15.999 > 29 30 O 0.30394426296643 0.90500513394158 0.94455663209652 15.999 > 30 31 O 0.80394426296643 0.59499486605842 0.55544336790348 15.999 > 31 32 O 0.03078690353563 0.17649554251559 0.77907433719936 15.999 > 32 33 O 0.51032918283503 0.02977867757233 0.70780880361294 15.999 > 33 34 O 0.82962232685165 0.11899703777162 0.46779499683567 15.999 > 34 35 O 0.96921309646438 0.82350445748441 0.22092566280064 15.999 > 35 36 O 0.32962232685164 0.38100296222838 0.03220500316433 15.999 > 36 37 O 0.01032918283503 0.02977867757233 0.79219119638706 15.999 > 37 38 O 0.03078690353563 0.32350445748440 0.77907433719936 15.999 > 38 39 O 0.67037767314835 0.88100296222838 0.96779499683567 15.999 > 39 40 O 0.51032918283503 0.47022132242767 0.70780880361294 15.999 > 40 41 O 0.48967081716497 0.52977867757233 0.29219119638706 15.999 > 41 42 O 0.82962232685165 0.38100296222838 0.46779499683567 15.999 > 42 43 O 0.53078690353562 0.17649554251559 0.72092566280064 15.999 > 43 44 O 0.98967081716497 0.52977867757233 0.20780880361294 15.999 > 44 45 O 0.46921309646437 0.82350445748441 0.27907433719936 15.999 > 45 46 O 0.53078690353562 0.32350445748440 0.72092566280064 15.999 > 46 47 O 0.01032918283503 0.47022132242767 0.79219119638706 15.999 > 47 48 O 0.96921309646438 0.67649554251559 0.22092566280064 15.999 > 48 49 O 0.19605573703357 0.09499486605842 0.44455663209652 15.999 > 49 50 O 0.19605573703357 0.40500513394158 0.44455663209652 15.999 > 50 51 O 0.98967081716497 0.97022132242767 0.20780880361294 15.999 > 51 52 O 0.80394426296643 0.90500513394158 0.55544336790348 15.999 > 52 53 O 0.30394426296643 0.59499486605842 0.94455663209652 15.999 > 53 54 O 0.32962232685164 0.11899703777162 0.03220500316433 15.999 > 54 55 O 0.67037767314835 0.61899703777162 0.96779499683567 15.999 > 55 56 O 0.17037767314836 0.88100296222838 0.53220500316433 15.999 > 56 -------------------------------- super cell -------------------------------- Lattice vectors: a 6.832812209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 17.653922959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.309888340000001 Atomic positions (fractional): *1 Y 0.98733872420085 0.90877233973848 0.43637890261640 88.906 > 1 2 Y 0.98733872420085 0.90877233973848 0.93637890261640 88.906 > 1 3 Y 0.01266127579915 0.40877233973848 0.06362109738360 88.906 > 2 4 Y 0.01266127579915 0.40877233973848 0.56362109738360 88.906 > 2 5 Y 0.48733872420085 0.59122766026152 0.31362109738360 88.906 > 3 6 Y 0.48733872420085 0.59122766026152 0.81362109738360 88.906 > 3 *7 Y 0.29155968376749 0.25000000000000 0.44298135691215 88.906 > 4 8 Y 0.29155968376749 0.25000000000000 0.94298135691215 88.906 > 4 9 Y 0.01266127579915 0.09122766026152 0.06362109738360 88.906 > 5 10 Y 0.01266127579915 0.09122766026152 0.56362109738360 88.906 > 5 11 Y 0.48733872420085 0.90877233973848 0.31362109738360 88.906 > 6 12 Y 0.48733872420085 0.90877233973848 0.81362109738360 88.906 > 6 13 Y 0.51266127579915 0.09122766026152 0.18637890261640 88.906 > 7 14 Y 0.51266127579915 0.09122766026152 0.68637890261640 88.906 > 7 15 Y 0.51266127579915 0.40877233973848 0.18637890261640 88.906 > 8 16 Y 0.51266127579915 0.40877233973848 0.68637890261640 88.906 > 8 17 Y 0.20844031623251 0.75000000000000 0.19298135691215 88.906 > 9 18 Y 0.20844031623251 0.75000000000000 0.69298135691215 88.906 > 9 19 Y 0.70844031623251 0.75000000000000 0.05701864308785 88.906 > 10 20 Y 0.70844031623251 0.75000000000000 0.55701864308785 88.906 > 10 21 Y 0.79155968376749 0.25000000000000 0.30701864308785 88.906 > 11 22 Y 0.79155968376749 0.25000000000000 0.80701864308785 88.906 > 11 23 Y 0.98733872420085 0.59122766026152 0.43637890261640 88.906 > 12 24 Y 0.98733872420085 0.59122766026152 0.93637890261640 88.906 > 12 *25 Si 0.02162685644982 0.09972738737299 0.31113113263002 28.085 > 13 26 Si 0.02162685644982 0.09972738737299 0.81113113263002 28.085 > 13 27 Si 0.47837314355018 0.90027261262701 0.06113113263002 28.085 > 14 28 Si 0.47837314355018 0.90027261262701 0.56113113263002 28.085 > 14 29 Si 0.97837314355018 0.90027261262701 0.18886886736998 28.085 > 15 30 Si 0.97837314355018 0.90027261262701 0.68886886736998 28.085 > 15 31 Si 0.02162685644982 0.40027261262701 0.31113113263002 28.085 > 16 32 Si 0.02162685644982 0.40027261262701 0.81113113263002 28.085 > 16 33 Si 0.52162685644982 0.40027261262701 0.43886886736998 28.085 > 17 34 Si 0.52162685644982 0.40027261262701 0.93886886736998 28.085 > 17 35 Si 0.97837314355018 0.59972738737299 0.18886886736998 28.085 > 18 36 Si 0.97837314355018 0.59972738737299 0.68886886736998 28.085 > 18 37 Si 0.47837314355018 0.59972738737299 0.06113113263002 28.085 > 19 38 Si 0.47837314355018 0.59972738737299 0.56113113263002 28.085 > 19 39 Si 0.52162685644982 0.09972738737299 0.43886886736998 28.085 > 20 40 Si 0.52162685644982 0.09972738737299 0.93886886736998 28.085 > 20 *41 Cl 0.45533957479596 0.75000000000000 0.37100424307670 35.453 > 21 42 Cl 0.45533957479596 0.75000000000000 0.87100424307670 35.453 > 21 43 Cl 0.95533957479596 0.75000000000000 0.37899575692330 35.453 > 22 44 Cl 0.95533957479596 0.75000000000000 0.87899575692330 35.453 > 22 45 Cl 0.04466042520404 0.25000000000000 0.12100424307670 35.453 > 23 46 Cl 0.04466042520404 0.25000000000000 0.62100424307670 35.453 > 23 47 Cl 0.54466042520404 0.25000000000000 0.12899575692330 35.453 > 24 48 Cl 0.54466042520404 0.25000000000000 0.62899575692330 35.453 > 24 *49 O 0.17037767314836 0.61899703777162 0.26610250158216 15.999 > 25 50 O 0.17037767314836 0.61899703777162 0.76610250158216 15.999 > 25 *51 O 0.69605573703357 0.09499486605842 0.02772168395174 15.999 > 26 52 O 0.69605573703357 0.09499486605842 0.52772168395174 15.999 > 26 *53 O 0.48967081716497 0.97022132242767 0.14609559819353 15.999 > 27 54 O 0.48967081716497 0.97022132242767 0.64609559819353 15.999 > 27 55 O 0.69605573703357 0.40500513394158 0.02772168395174 15.999 > 28 56 O 0.69605573703357 0.40500513394158 0.52772168395174 15.999 > 28 *57 O 0.46921309646437 0.67649554251559 0.13953716859968 15.999 > 29 58 O 0.46921309646437 0.67649554251559 0.63953716859968 15.999 > 29 59 O 0.30394426296643 0.90500513394158 0.47227831604826 15.999 > 30 60 O 0.30394426296643 0.90500513394158 0.97227831604826 15.999 > 30 61 O 0.80394426296643 0.59499486605842 0.27772168395174 15.999 > 31 62 O 0.80394426296643 0.59499486605842 0.77772168395174 15.999 > 31 63 O 0.03078690353563 0.17649554251559 0.38953716859968 15.999 > 32 64 O 0.03078690353563 0.17649554251559 0.88953716859968 15.999 > 32 65 O 0.51032918283503 0.02977867757233 0.35390440180647 15.999 > 33 66 O 0.51032918283503 0.02977867757233 0.85390440180647 15.999 > 33 67 O 0.82962232685165 0.11899703777162 0.23389749841783 15.999 > 34 68 O 0.82962232685165 0.11899703777162 0.73389749841784 15.999 > 34 69 O 0.96921309646438 0.82350445748441 0.11046283140032 15.999 > 35 70 O 0.96921309646438 0.82350445748441 0.61046283140032 15.999 > 35 71 O 0.32962232685164 0.38100296222838 0.01610250158216 15.999 > 36 72 O 0.32962232685164 0.38100296222838 0.51610250158216 15.999 > 36 73 O 0.01032918283503 0.02977867757233 0.39609559819353 15.999 > 37 74 O 0.01032918283503 0.02977867757233 0.89609559819353 15.999 > 37 75 O 0.03078690353563 0.32350445748440 0.38953716859968 15.999 > 38 76 O 0.03078690353563 0.32350445748440 0.88953716859968 15.999 > 38 77 O 0.67037767314835 0.88100296222838 0.48389749841784 15.999 > 39 78 O 0.67037767314835 0.88100296222838 0.98389749841784 15.999 > 39 79 O 0.51032918283503 0.47022132242767 0.35390440180647 15.999 > 40 80 O 0.51032918283503 0.47022132242767 0.85390440180647 15.999 > 40 81 O 0.48967081716497 0.52977867757233 0.14609559819353 15.999 > 41 82 O 0.48967081716497 0.52977867757233 0.64609559819353 15.999 > 41 83 O 0.82962232685165 0.38100296222838 0.23389749841783 15.999 > 42 84 O 0.82962232685165 0.38100296222838 0.73389749841784 15.999 > 42 85 O 0.53078690353562 0.17649554251559 0.36046283140032 15.999 > 43 86 O 0.53078690353562 0.17649554251559 0.86046283140032 15.999 > 43 87 O 0.98967081716497 0.52977867757233 0.10390440180647 15.999 > 44 88 O 0.98967081716497 0.52977867757233 0.60390440180647 15.999 > 44 89 O 0.46921309646437 0.82350445748441 0.13953716859968 15.999 > 45 90 O 0.46921309646437 0.82350445748441 0.63953716859968 15.999 > 45 91 O 0.53078690353562 0.32350445748440 0.36046283140032 15.999 > 46 92 O 0.53078690353562 0.32350445748440 0.86046283140032 15.999 > 46 93 O 0.01032918283503 0.47022132242767 0.39609559819353 15.999 > 47 94 O 0.01032918283503 0.47022132242767 0.89609559819353 15.999 > 47 95 O 0.96921309646438 0.67649554251559 0.11046283140032 15.999 > 48 96 O 0.96921309646438 0.67649554251559 0.61046283140032 15.999 > 48 97 O 0.19605573703357 0.09499486605842 0.22227831604826 15.999 > 49 98 O 0.19605573703357 0.09499486605842 0.72227831604826 15.999 > 49 99 O 0.19605573703357 0.40500513394158 0.22227831604826 15.999 > 50 100 O 0.19605573703357 0.40500513394158 0.72227831604826 15.999 > 50 101 O 0.98967081716497 0.97022132242767 0.10390440180647 15.999 > 51 102 O 0.98967081716497 0.97022132242767 0.60390440180647 15.999 > 51 103 O 0.80394426296643 0.90500513394158 0.27772168395174 15.999 > 52 104 O 0.80394426296643 0.90500513394158 0.77772168395174 15.999 > 52 105 O 0.30394426296643 0.59499486605842 0.47227831604826 15.999 > 53 106 O 0.30394426296643 0.59499486605842 0.97227831604826 15.999 > 53 107 O 0.32962232685164 0.11899703777162 0.01610250158216 15.999 > 54 108 O 0.32962232685164 0.11899703777162 0.51610250158216 15.999 > 54 109 O 0.67037767314835 0.61899703777162 0.48389749841784 15.999 > 55 110 O 0.67037767314835 0.61899703777162 0.98389749841784 15.999 > 55 111 O 0.17037767314836 0.88100296222838 0.26610250158216 15.999 > 56 112 O 0.17037767314836 0.88100296222838 0.76610250158216 15.999 > 56 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6158303 0.0000000 0.0000000 0.0000000 3.6464299 0.0000000 0.0000000 0.0000000 3.6599407 -------------------------- Born effective charges -------------------------- 1 Y 3.9053772 0.1810439 0.1240016 0.2295199 3.8127955 0.0583949 0.0698944 0.0081434 3.8441490 2 Y 3.9053772 -0.1810439 0.1240016 -0.2295199 3.8127955 -0.0583949 0.0698944 -0.0081434 3.8441490 3 Y 3.9053772 -0.1810439 -0.1240016 -0.2295199 3.8127955 0.0583949 -0.0698944 0.0081434 3.8441490 4 Y 4.1576672 0.0000000 -0.0335666 0.0000000 3.8690097 -0.0000000 0.0510596 -0.0000000 3.2123113 5 Y 3.9053772 0.1810439 0.1240016 0.2295199 3.8127955 0.0583949 0.0698944 0.0081434 3.8441490 6 Y 3.9053772 0.1810439 -0.1240016 0.2295199 3.8127955 -0.0583949 -0.0698944 -0.0081434 3.8441490 7 Y 3.9053772 0.1810439 -0.1240016 0.2295199 3.8127955 -0.0583949 -0.0698944 -0.0081434 3.8441490 8 Y 3.9053772 -0.1810439 -0.1240016 -0.2295199 3.8127955 0.0583949 -0.0698944 0.0081434 3.8441490 9 Y 4.1576672 0.0000000 0.0335666 0.0000000 3.8690097 -0.0000000 -0.0510596 -0.0000000 3.2123113 10 Y 4.1576672 0.0000000 -0.0335666 0.0000000 3.8690097 -0.0000000 0.0510596 -0.0000000 3.2123113 11 Y 4.1576672 0.0000000 0.0335666 0.0000000 3.8690097 -0.0000000 -0.0510596 -0.0000000 3.2123113 12 Y 3.9053772 -0.1810439 0.1240016 -0.2295199 3.8127955 -0.0583949 0.0698944 -0.0081434 3.8441490 13 Si 2.9387410 -0.1510098 -0.0211545 -0.2416077 3.1851399 -0.2565017 -0.1386775 -0.2643009 3.5947570 14 Si 2.9387410 -0.1510098 0.0211545 -0.2416077 3.1851399 0.2565017 0.1386775 0.2643009 3.5947570 15 Si 2.9387410 -0.1510098 -0.0211545 -0.2416077 3.1851399 -0.2565017 -0.1386775 -0.2643009 3.5947570 16 Si 2.9387410 0.1510098 -0.0211545 0.2416077 3.1851399 0.2565017 -0.1386775 0.2643009 3.5947570 17 Si 2.9387410 0.1510098 0.0211545 0.2416077 3.1851399 -0.2565017 0.1386775 -0.2643009 3.5947570 18 Si 2.9387410 0.1510098 -0.0211545 0.2416077 3.1851399 0.2565017 -0.1386775 0.2643009 3.5947570 19 Si 2.9387410 0.1510098 0.0211545 0.2416077 3.1851399 -0.2565017 0.1386775 -0.2643009 3.5947570 20 Si 2.9387410 -0.1510098 0.0211545 -0.2416077 3.1851399 0.2565017 0.1386775 0.2643009 3.5947570 21 Cl -1.0757126 0.0000000 -0.6177352 0.0000000 -1.2800958 -0.0000000 -0.5239767 -0.0000000 -1.2802273 22 Cl -1.0757126 0.0000000 0.6177352 0.0000000 -1.2800958 -0.0000000 0.5239767 -0.0000000 -1.2802273 23 Cl -1.0757126 0.0000000 0.6177352 0.0000000 -1.2800958 -0.0000000 0.5239767 -0.0000000 -1.2802273 24 Cl -1.0757126 0.0000000 -0.6177352 0.0000000 -1.2800958 -0.0000000 -0.5239767 -0.0000000 -1.2802273 25 O -2.5573603 -0.1242381 -0.3434633 -0.1090019 -1.7521404 0.1527866 -0.2235735 0.1268517 -2.0029458 26 O -2.7521167 0.0715402 -0.3040832 0.1218083 -1.2397173 0.0268303 -0.2931350 -0.0104692 -2.1680422 27 O -1.1330033 -0.0684292 -0.0513891 -0.0884153 -2.9250758 -0.4729742 -0.0612407 -0.4080359 -2.2297424 28 O -2.7521167 -0.0715402 -0.3040832 -0.1218083 -1.2397173 -0.0268303 -0.2931350 0.0104692 -2.1680422 29 O -1.9426153 0.0606046 0.4772315 0.0734308 -2.3754588 -0.1155066 0.4663227 -0.1641734 -2.0042177 30 O -2.7521167 0.0715402 -0.3040832 0.1218083 -1.2397173 0.0268303 -0.2931350 -0.0104692 -2.1680422 31 O -2.7521167 -0.0715402 0.3040832 -0.1218083 -1.2397173 0.0268303 0.2931350 -0.0104692 -2.1680422 32 O -1.9426153 -0.0606046 -0.4772315 -0.0734308 -2.3754588 -0.1155066 -0.4663227 -0.1641734 -2.0042177 33 O -1.1330033 -0.0684292 -0.0513891 -0.0884153 -2.9250758 -0.4729742 -0.0612407 -0.4080359 -2.2297424 34 O -2.5573603 0.1242381 -0.3434633 0.1090019 -1.7521404 -0.1527866 -0.2235735 -0.1268517 -2.0029458 35 O -1.9426153 -0.0606046 -0.4772315 -0.0734308 -2.3754588 -0.1155066 -0.4663227 -0.1641734 -2.0042177 36 O -2.5573603 -0.1242381 0.3434633 -0.1090019 -1.7521404 -0.1527866 0.2235735 -0.1268517 -2.0029458 37 O -1.1330033 -0.0684292 0.0513891 -0.0884153 -2.9250758 0.4729742 0.0612407 0.4080359 -2.2297424 38 O -1.9426153 0.0606046 -0.4772315 0.0734308 -2.3754588 0.1155066 -0.4663227 0.1641734 -2.0042177 39 O -2.5573603 0.1242381 0.3434633 0.1090019 -1.7521404 0.1527866 0.2235735 0.1268517 -2.0029458 40 O -1.1330033 0.0684292 -0.0513891 0.0884153 -2.9250758 0.4729742 -0.0612407 0.4080359 -2.2297424 41 O -1.1330033 0.0684292 -0.0513891 0.0884153 -2.9250758 0.4729742 -0.0612407 0.4080359 -2.2297424 42 O -2.5573603 -0.1242381 -0.3434633 -0.1090019 -1.7521404 0.1527866 -0.2235735 0.1268517 -2.0029458 43 O -1.9426153 -0.0606046 0.4772315 -0.0734308 -2.3754588 0.1155066 0.4663227 0.1641734 -2.0042177 44 O -1.1330033 0.0684292 0.0513891 0.0884153 -2.9250758 -0.4729742 0.0612407 -0.4080359 -2.2297424 45 O -1.9426153 -0.0606046 0.4772315 -0.0734308 -2.3754588 0.1155066 0.4663227 0.1641734 -2.0042177 46 O -1.9426153 0.0606046 0.4772315 0.0734308 -2.3754588 -0.1155066 0.4663227 -0.1641734 -2.0042177 47 O -1.1330033 0.0684292 0.0513891 0.0884153 -2.9250758 -0.4729742 0.0612407 -0.4080359 -2.2297424 48 O -1.9426153 0.0606046 -0.4772315 0.0734308 -2.3754588 0.1155066 -0.4663227 0.1641734 -2.0042177 49 O -2.7521167 0.0715402 0.3040832 0.1218083 -1.2397173 -0.0268303 0.2931350 0.0104692 -2.1680422 50 O -2.7521167 -0.0715402 0.3040832 -0.1218083 -1.2397173 0.0268303 0.2931350 -0.0104692 -2.1680422 51 O -1.1330033 -0.0684292 0.0513891 -0.0884153 -2.9250758 0.4729742 0.0612407 0.4080359 -2.2297424 52 O -2.7521167 0.0715402 0.3040832 0.1218083 -1.2397173 -0.0268303 0.2931350 0.0104692 -2.1680422 53 O -2.7521167 -0.0715402 -0.3040832 -0.1218083 -1.2397173 -0.0268303 -0.2931350 0.0104692 -2.1680422 54 O -2.5573603 0.1242381 0.3434633 0.1090019 -1.7521404 0.1527866 0.2235735 0.1268517 -2.0029458 55 O -2.5573603 -0.1242381 0.3434633 -0.1090019 -1.7521404 -0.1527866 0.2235735 -0.1268517 -2.0029458 56 O -2.5573603 0.1242381 -0.3434633 0.1090019 -1.7521404 -0.1527866 -0.2235735 -0.1268517 -2.0029458 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 14), data: (800, 30) @ (30, 14) |-- (300, 286), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.024 Solver_block: 200 / 880 - Time: 2.117 Solver_block: 300 / 880 - Time: 2.256 Solver_block: 400 / 880 - Time: 2.704 Solver_block: 500 / 880 - Time: 0.980 Solver_block: 600 / 880 - Time: 1.044 Solver_block: 700 / 880 - Time: 0.926 Solver_block: 800 / 880 - Time: 2.374 Solver_block: 880 / 880 - Time: 1.860 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.152 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 28392/28392 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3662 Number of blocks in projector: 3662 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 800 / 800 (1) 286 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 258 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 768 Use submatrix version of eigh solver. (1) Block: 500 / 768 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 768 / 768 (1) 256 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 442 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 442 Use standard eigh solver. Tree of FC basis block matrices: - (3662, 3598), data: False |-- (442, 434), data: True |-- (442, 434), data: True |-- (442, 434), data: True |-- (768, 756), data: False |-- (768, 12), data: (768, 24) @ (24, 12) |-- (268, 256), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (768, 756), data: False |-- (768, 10), data: (768, 22) @ (22, 10) |-- (268, 258), data: True |-- (500, 488), data: False |-- (500, 12), data: (500, 24) @ (24, 12) |-- (250, 238), data: True |-- (250, 238), data: True |-- (800, 784), data: False |-- (800, 14), data: (800, 30) @ (30, 14) |-- (300, 286), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:30:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:30:19]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.832812209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 17.653922959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.154944170000000 Atomic positions (fractional): 1 Y 0.98733872420085 0.90877233973848 0.87275780523280 88.906 2 Y 0.01266127579915 0.40877233973848 0.12724219476720 88.906 3 Y 0.48733872420085 0.59122766026152 0.62724219476720 88.906 4 Y 0.29155968376749 0.25000000000000 0.88596271382430 88.906 5 Y 0.01266127579915 0.09122766026152 0.12724219476720 88.906 6 Y 0.48733872420085 0.90877233973848 0.62724219476720 88.906 7 Y 0.51266127579915 0.09122766026152 0.37275780523280 88.906 8 Y 0.51266127579915 0.40877233973848 0.37275780523280 88.906 9 Y 0.20844031623251 0.75000000000000 0.38596271382429 88.906 10 Y 0.70844031623251 0.75000000000000 0.11403728617570 88.906 11 Y 0.79155968376749 0.25000000000000 0.61403728617570 88.906 12 Y 0.98733872420085 0.59122766026152 0.87275780523280 88.906 13 Si 0.02162685644982 0.09972738737299 0.62226226526003 28.085 14 Si 0.47837314355018 0.90027261262701 0.12226226526003 28.085 15 Si 0.97837314355018 0.90027261262701 0.37773773473997 28.085 16 Si 0.02162685644982 0.40027261262701 0.62226226526003 28.085 17 Si 0.52162685644982 0.40027261262701 0.87773773473997 28.085 18 Si 0.97837314355018 0.59972738737299 0.37773773473997 28.085 19 Si 0.47837314355018 0.59972738737299 0.12226226526003 28.085 20 Si 0.52162685644982 0.09972738737299 0.87773773473997 28.085 21 Cl 0.45533957479596 0.75000000000000 0.74200848615341 35.453 22 Cl 0.95533957479596 0.75000000000000 0.75799151384659 35.453 23 Cl 0.04466042520404 0.25000000000000 0.24200848615341 35.453 24 Cl 0.54466042520404 0.25000000000000 0.25799151384659 35.453 25 O 0.17037767314836 0.61899703777162 0.53220500316433 15.999 26 O 0.69605573703357 0.09499486605842 0.05544336790348 15.999 27 O 0.48967081716497 0.97022132242767 0.29219119638706 15.999 28 O 0.69605573703357 0.40500513394158 0.05544336790348 15.999 29 O 0.46921309646437 0.67649554251559 0.27907433719936 15.999 30 O 0.30394426296643 0.90500513394158 0.94455663209652 15.999 31 O 0.80394426296643 0.59499486605842 0.55544336790348 15.999 32 O 0.03078690353563 0.17649554251559 0.77907433719936 15.999 33 O 0.51032918283503 0.02977867757233 0.70780880361294 15.999 34 O 0.82962232685165 0.11899703777162 0.46779499683567 15.999 35 O 0.96921309646438 0.82350445748441 0.22092566280064 15.999 36 O 0.32962232685164 0.38100296222838 0.03220500316433 15.999 37 O 0.01032918283503 0.02977867757233 0.79219119638706 15.999 38 O 0.03078690353563 0.32350445748440 0.77907433719936 15.999 39 O 0.67037767314835 0.88100296222838 0.96779499683567 15.999 40 O 0.51032918283503 0.47022132242767 0.70780880361294 15.999 41 O 0.48967081716497 0.52977867757233 0.29219119638706 15.999 42 O 0.82962232685165 0.38100296222838 0.46779499683567 15.999 43 O 0.53078690353562 0.17649554251559 0.72092566280064 15.999 44 O 0.98967081716497 0.52977867757233 0.20780880361294 15.999 45 O 0.46921309646437 0.82350445748441 0.27907433719936 15.999 46 O 0.53078690353562 0.32350445748440 0.72092566280064 15.999 47 O 0.01032918283503 0.47022132242767 0.79219119638706 15.999 48 O 0.96921309646438 0.67649554251559 0.22092566280064 15.999 49 O 0.19605573703357 0.09499486605842 0.44455663209652 15.999 50 O 0.19605573703357 0.40500513394158 0.44455663209652 15.999 51 O 0.98967081716497 0.97022132242767 0.20780880361294 15.999 52 O 0.80394426296643 0.90500513394158 0.55544336790348 15.999 53 O 0.30394426296643 0.59499486605842 0.94455663209652 15.999 54 O 0.32962232685164 0.11899703777162 0.03220500316433 15.999 55 O 0.67037767314835 0.61899703777162 0.96779499683567 15.999 56 O 0.17037767314836 0.88100296222838 0.53220500316433 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.832812209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 17.653922959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.309888340000001 Atomic positions (fractional): 1 Y 0.98733872420085 0.90877233973848 0.43637890261640 88.906 > 1 2 Y 0.98733872420085 0.90877233973848 0.93637890261640 88.906 > 1 3 Y 0.01266127579915 0.40877233973848 0.06362109738360 88.906 > 3 4 Y 0.01266127579915 0.40877233973848 0.56362109738360 88.906 > 3 5 Y 0.48733872420085 0.59122766026152 0.31362109738360 88.906 > 5 6 Y 0.48733872420085 0.59122766026152 0.81362109738360 88.906 > 5 7 Y 0.29155968376749 0.25000000000000 0.44298135691215 88.906 > 7 8 Y 0.29155968376749 0.25000000000000 0.94298135691215 88.906 > 7 9 Y 0.01266127579915 0.09122766026152 0.06362109738360 88.906 > 9 10 Y 0.01266127579915 0.09122766026152 0.56362109738360 88.906 > 9 11 Y 0.48733872420085 0.90877233973848 0.31362109738360 88.906 > 11 12 Y 0.48733872420085 0.90877233973848 0.81362109738360 88.906 > 11 13 Y 0.51266127579915 0.09122766026152 0.18637890261640 88.906 > 13 14 Y 0.51266127579915 0.09122766026152 0.68637890261640 88.906 > 13 15 Y 0.51266127579915 0.40877233973848 0.18637890261640 88.906 > 15 16 Y 0.51266127579915 0.40877233973848 0.68637890261640 88.906 > 15 17 Y 0.20844031623251 0.75000000000000 0.19298135691215 88.906 > 17 18 Y 0.20844031623251 0.75000000000000 0.69298135691215 88.906 > 17 19 Y 0.70844031623251 0.75000000000000 0.05701864308785 88.906 > 19 20 Y 0.70844031623251 0.75000000000000 0.55701864308785 88.906 > 19 21 Y 0.79155968376749 0.25000000000000 0.30701864308785 88.906 > 21 22 Y 0.79155968376749 0.25000000000000 0.80701864308785 88.906 > 21 23 Y 0.98733872420085 0.59122766026152 0.43637890261640 88.906 > 23 24 Y 0.98733872420085 0.59122766026152 0.93637890261640 88.906 > 23 25 Si 0.02162685644982 0.09972738737299 0.31113113263002 28.085 > 25 26 Si 0.02162685644982 0.09972738737299 0.81113113263002 28.085 > 25 27 Si 0.47837314355018 0.90027261262701 0.06113113263002 28.085 > 27 28 Si 0.47837314355018 0.90027261262701 0.56113113263002 28.085 > 27 29 Si 0.97837314355018 0.90027261262701 0.18886886736998 28.085 > 29 30 Si 0.97837314355018 0.90027261262701 0.68886886736998 28.085 > 29 31 Si 0.02162685644982 0.40027261262701 0.31113113263002 28.085 > 31 32 Si 0.02162685644982 0.40027261262701 0.81113113263002 28.085 > 31 33 Si 0.52162685644982 0.40027261262701 0.43886886736998 28.085 > 33 34 Si 0.52162685644982 0.40027261262701 0.93886886736998 28.085 > 33 35 Si 0.97837314355018 0.59972738737299 0.18886886736998 28.085 > 35 36 Si 0.97837314355018 0.59972738737299 0.68886886736998 28.085 > 35 37 Si 0.47837314355018 0.59972738737299 0.06113113263002 28.085 > 37 38 Si 0.47837314355018 0.59972738737299 0.56113113263002 28.085 > 37 39 Si 0.52162685644982 0.09972738737299 0.43886886736998 28.085 > 39 40 Si 0.52162685644982 0.09972738737299 0.93886886736998 28.085 > 39 41 Cl 0.45533957479596 0.75000000000000 0.37100424307670 35.453 > 41 42 Cl 0.45533957479596 0.75000000000000 0.87100424307670 35.453 > 41 43 Cl 0.95533957479596 0.75000000000000 0.37899575692330 35.453 > 43 44 Cl 0.95533957479596 0.75000000000000 0.87899575692330 35.453 > 43 45 Cl 0.04466042520404 0.25000000000000 0.12100424307670 35.453 > 45 46 Cl 0.04466042520404 0.25000000000000 0.62100424307670 35.453 > 45 47 Cl 0.54466042520404 0.25000000000000 0.12899575692330 35.453 > 47 48 Cl 0.54466042520404 0.25000000000000 0.62899575692330 35.453 > 47 49 O 0.17037767314836 0.61899703777162 0.26610250158216 15.999 > 49 50 O 0.17037767314836 0.61899703777162 0.76610250158216 15.999 > 49 51 O 0.69605573703357 0.09499486605842 0.02772168395174 15.999 > 51 52 O 0.69605573703357 0.09499486605842 0.52772168395174 15.999 > 51 53 O 0.48967081716497 0.97022132242767 0.14609559819353 15.999 > 53 54 O 0.48967081716497 0.97022132242767 0.64609559819353 15.999 > 53 55 O 0.69605573703357 0.40500513394158 0.02772168395174 15.999 > 55 56 O 0.69605573703357 0.40500513394158 0.52772168395174 15.999 > 55 57 O 0.46921309646437 0.67649554251559 0.13953716859968 15.999 > 57 58 O 0.46921309646437 0.67649554251559 0.63953716859968 15.999 > 57 59 O 0.30394426296643 0.90500513394158 0.47227831604826 15.999 > 59 60 O 0.30394426296643 0.90500513394158 0.97227831604826 15.999 > 59 61 O 0.80394426296643 0.59499486605842 0.27772168395174 15.999 > 61 62 O 0.80394426296643 0.59499486605842 0.77772168395174 15.999 > 61 63 O 0.03078690353563 0.17649554251559 0.38953716859968 15.999 > 63 64 O 0.03078690353563 0.17649554251559 0.88953716859968 15.999 > 63 65 O 0.51032918283503 0.02977867757233 0.35390440180647 15.999 > 65 66 O 0.51032918283503 0.02977867757233 0.85390440180647 15.999 > 65 67 O 0.82962232685165 0.11899703777162 0.23389749841783 15.999 > 67 68 O 0.82962232685165 0.11899703777162 0.73389749841784 15.999 > 67 69 O 0.96921309646438 0.82350445748441 0.11046283140032 15.999 > 69 70 O 0.96921309646438 0.82350445748441 0.61046283140032 15.999 > 69 71 O 0.32962232685164 0.38100296222838 0.01610250158216 15.999 > 71 72 O 0.32962232685164 0.38100296222838 0.51610250158216 15.999 > 71 73 O 0.01032918283503 0.02977867757233 0.39609559819353 15.999 > 73 74 O 0.01032918283503 0.02977867757233 0.89609559819353 15.999 > 73 75 O 0.03078690353563 0.32350445748440 0.38953716859968 15.999 > 75 76 O 0.03078690353563 0.32350445748440 0.88953716859968 15.999 > 75 77 O 0.67037767314835 0.88100296222838 0.48389749841784 15.999 > 77 78 O 0.67037767314835 0.88100296222838 0.98389749841784 15.999 > 77 79 O 0.51032918283503 0.47022132242767 0.35390440180647 15.999 > 79 80 O 0.51032918283503 0.47022132242767 0.85390440180647 15.999 > 79 81 O 0.48967081716497 0.52977867757233 0.14609559819353 15.999 > 81 82 O 0.48967081716497 0.52977867757233 0.64609559819353 15.999 > 81 83 O 0.82962232685165 0.38100296222838 0.23389749841783 15.999 > 83 84 O 0.82962232685165 0.38100296222838 0.73389749841784 15.999 > 83 85 O 0.53078690353562 0.17649554251559 0.36046283140032 15.999 > 85 86 O 0.53078690353562 0.17649554251559 0.86046283140032 15.999 > 85 87 O 0.98967081716497 0.52977867757233 0.10390440180647 15.999 > 87 88 O 0.98967081716497 0.52977867757233 0.60390440180647 15.999 > 87 89 O 0.46921309646437 0.82350445748441 0.13953716859968 15.999 > 89 90 O 0.46921309646437 0.82350445748441 0.63953716859968 15.999 > 89 91 O 0.53078690353562 0.32350445748440 0.36046283140032 15.999 > 91 92 O 0.53078690353562 0.32350445748440 0.86046283140032 15.999 > 91 93 O 0.01032918283503 0.47022132242767 0.39609559819353 15.999 > 93 94 O 0.01032918283503 0.47022132242767 0.89609559819353 15.999 > 93 95 O 0.96921309646438 0.67649554251559 0.11046283140032 15.999 > 95 96 O 0.96921309646438 0.67649554251559 0.61046283140032 15.999 > 95 97 O 0.19605573703357 0.09499486605842 0.22227831604826 15.999 > 97 98 O 0.19605573703357 0.09499486605842 0.72227831604826 15.999 > 97 99 O 0.19605573703357 0.40500513394158 0.22227831604826 15.999 > 99 100 O 0.19605573703357 0.40500513394158 0.72227831604826 15.999 > 99 101 O 0.98967081716497 0.97022132242767 0.10390440180647 15.999 > 101 102 O 0.98967081716497 0.97022132242767 0.60390440180647 15.999 > 101 103 O 0.80394426296643 0.90500513394158 0.27772168395174 15.999 > 103 104 O 0.80394426296643 0.90500513394158 0.77772168395174 15.999 > 103 105 O 0.30394426296643 0.59499486605842 0.47227831604826 15.999 > 105 106 O 0.30394426296643 0.59499486605842 0.97227831604826 15.999 > 105 107 O 0.32962232685164 0.11899703777162 0.01610250158216 15.999 > 107 108 O 0.32962232685164 0.11899703777162 0.51610250158216 15.999 > 107 109 O 0.67037767314835 0.61899703777162 0.48389749841784 15.999 > 109 110 O 0.67037767314835 0.61899703777162 0.98389749841784 15.999 > 109 111 O 0.17037767314836 0.88100296222838 0.26610250158216 15.999 > 111 112 O 0.17037767314836 0.88100296222838 0.76610250158216 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6158303 0.0000000 0.0000000 0.0000000 3.6464299 0.0000000 0.0000000 0.0000000 3.6599407 -------------------------- Born effective charges -------------------------- 1 Y 3.9053772 0.1810439 0.1240016 0.2295199 3.8127955 0.0583949 0.0698944 0.0081434 3.8441490 2 Y 3.9053772 -0.1810439 0.1240016 -0.2295199 3.8127955 -0.0583949 0.0698944 -0.0081434 3.8441490 3 Y 3.9053772 -0.1810439 -0.1240016 -0.2295199 3.8127955 0.0583949 -0.0698944 0.0081434 3.8441490 4 Y 4.1576672 0.0000000 -0.0335666 0.0000000 3.8690097 -0.0000000 0.0510596 -0.0000000 3.2123113 5 Y 3.9053772 0.1810439 0.1240016 0.2295199 3.8127955 0.0583949 0.0698944 0.0081434 3.8441490 6 Y 3.9053772 0.1810439 -0.1240016 0.2295199 3.8127955 -0.0583949 -0.0698944 -0.0081434 3.8441490 7 Y 3.9053772 0.1810439 -0.1240016 0.2295199 3.8127955 -0.0583949 -0.0698944 -0.0081434 3.8441490 8 Y 3.9053772 -0.1810439 -0.1240016 -0.2295199 3.8127955 0.0583949 -0.0698944 0.0081434 3.8441490 9 Y 4.1576672 0.0000000 0.0335666 0.0000000 3.8690097 -0.0000000 -0.0510596 -0.0000000 3.2123113 10 Y 4.1576672 0.0000000 -0.0335666 0.0000000 3.8690097 -0.0000000 0.0510596 -0.0000000 3.2123113 11 Y 4.1576672 0.0000000 0.0335666 0.0000000 3.8690097 -0.0000000 -0.0510596 -0.0000000 3.2123113 12 Y 3.9053772 -0.1810439 0.1240016 -0.2295199 3.8127955 -0.0583949 0.0698944 -0.0081434 3.8441490 13 Si 2.9387410 -0.1510098 -0.0211545 -0.2416077 3.1851399 -0.2565017 -0.1386775 -0.2643009 3.5947570 14 Si 2.9387410 -0.1510098 0.0211545 -0.2416077 3.1851399 0.2565017 0.1386775 0.2643009 3.5947570 15 Si 2.9387410 -0.1510098 -0.0211545 -0.2416077 3.1851399 -0.2565017 -0.1386775 -0.2643009 3.5947570 16 Si 2.9387410 0.1510098 -0.0211545 0.2416077 3.1851399 0.2565017 -0.1386775 0.2643009 3.5947570 17 Si 2.9387410 0.1510098 0.0211545 0.2416077 3.1851399 -0.2565017 0.1386775 -0.2643009 3.5947570 18 Si 2.9387410 0.1510098 -0.0211545 0.2416077 3.1851399 0.2565017 -0.1386775 0.2643009 3.5947570 19 Si 2.9387410 0.1510098 0.0211545 0.2416077 3.1851399 -0.2565017 0.1386775 -0.2643009 3.5947570 20 Si 2.9387410 -0.1510098 0.0211545 -0.2416077 3.1851399 0.2565017 0.1386775 0.2643009 3.5947570 21 Cl -1.0757126 0.0000000 -0.6177352 0.0000000 -1.2800958 -0.0000000 -0.5239767 -0.0000000 -1.2802273 22 Cl -1.0757126 0.0000000 0.6177352 0.0000000 -1.2800958 -0.0000000 0.5239767 -0.0000000 -1.2802273 23 Cl -1.0757126 0.0000000 0.6177352 0.0000000 -1.2800958 -0.0000000 0.5239767 -0.0000000 -1.2802273 24 Cl -1.0757126 0.0000000 -0.6177352 0.0000000 -1.2800958 -0.0000000 -0.5239767 -0.0000000 -1.2802273 25 O -2.5573603 -0.1242381 -0.3434633 -0.1090019 -1.7521404 0.1527866 -0.2235735 0.1268517 -2.0029458 26 O -2.7521167 0.0715402 -0.3040832 0.1218083 -1.2397173 0.0268303 -0.2931350 -0.0104692 -2.1680422 27 O -1.1330033 -0.0684292 -0.0513891 -0.0884153 -2.9250758 -0.4729742 -0.0612407 -0.4080359 -2.2297424 28 O -2.7521167 -0.0715402 -0.3040832 -0.1218083 -1.2397173 -0.0268303 -0.2931350 0.0104692 -2.1680422 29 O -1.9426153 0.0606046 0.4772315 0.0734308 -2.3754588 -0.1155066 0.4663227 -0.1641734 -2.0042177 30 O -2.7521167 0.0715402 -0.3040832 0.1218083 -1.2397173 0.0268303 -0.2931350 -0.0104692 -2.1680422 31 O -2.7521167 -0.0715402 0.3040832 -0.1218083 -1.2397173 0.0268303 0.2931350 -0.0104692 -2.1680422 32 O -1.9426153 -0.0606046 -0.4772315 -0.0734308 -2.3754588 -0.1155066 -0.4663227 -0.1641734 -2.0042177 33 O -1.1330033 -0.0684292 -0.0513891 -0.0884153 -2.9250758 -0.4729742 -0.0612407 -0.4080359 -2.2297424 34 O -2.5573603 0.1242381 -0.3434633 0.1090019 -1.7521404 -0.1527866 -0.2235735 -0.1268517 -2.0029458 35 O -1.9426153 -0.0606046 -0.4772315 -0.0734308 -2.3754588 -0.1155066 -0.4663227 -0.1641734 -2.0042177 36 O -2.5573603 -0.1242381 0.3434633 -0.1090019 -1.7521404 -0.1527866 0.2235735 -0.1268517 -2.0029458 37 O -1.1330033 -0.0684292 0.0513891 -0.0884153 -2.9250758 0.4729742 0.0612407 0.4080359 -2.2297424 38 O -1.9426153 0.0606046 -0.4772315 0.0734308 -2.3754588 0.1155066 -0.4663227 0.1641734 -2.0042177 39 O -2.5573603 0.1242381 0.3434633 0.1090019 -1.7521404 0.1527866 0.2235735 0.1268517 -2.0029458 40 O -1.1330033 0.0684292 -0.0513891 0.0884153 -2.9250758 0.4729742 -0.0612407 0.4080359 -2.2297424 41 O -1.1330033 0.0684292 -0.0513891 0.0884153 -2.9250758 0.4729742 -0.0612407 0.4080359 -2.2297424 42 O -2.5573603 -0.1242381 -0.3434633 -0.1090019 -1.7521404 0.1527866 -0.2235735 0.1268517 -2.0029458 43 O -1.9426153 -0.0606046 0.4772315 -0.0734308 -2.3754588 0.1155066 0.4663227 0.1641734 -2.0042177 44 O -1.1330033 0.0684292 0.0513891 0.0884153 -2.9250758 -0.4729742 0.0612407 -0.4080359 -2.2297424 45 O -1.9426153 -0.0606046 0.4772315 -0.0734308 -2.3754588 0.1155066 0.4663227 0.1641734 -2.0042177 46 O -1.9426153 0.0606046 0.4772315 0.0734308 -2.3754588 -0.1155066 0.4663227 -0.1641734 -2.0042177 47 O -1.1330033 0.0684292 0.0513891 0.0884153 -2.9250758 -0.4729742 0.0612407 -0.4080359 -2.2297424 48 O -1.9426153 0.0606046 -0.4772315 0.0734308 -2.3754588 0.1155066 -0.4663227 0.1641734 -2.0042177 49 O -2.7521167 0.0715402 0.3040832 0.1218083 -1.2397173 -0.0268303 0.2931350 0.0104692 -2.1680422 50 O -2.7521167 -0.0715402 0.3040832 -0.1218083 -1.2397173 0.0268303 0.2931350 -0.0104692 -2.1680422 51 O -1.1330033 -0.0684292 0.0513891 -0.0884153 -2.9250758 0.4729742 0.0612407 0.4080359 -2.2297424 52 O -2.7521167 0.0715402 0.3040832 0.1218083 -1.2397173 -0.0268303 0.2931350 0.0104692 -2.1680422 53 O -2.7521167 -0.0715402 -0.3040832 -0.1218083 -1.2397173 -0.0268303 -0.2931350 0.0104692 -2.1680422 54 O -2.5573603 0.1242381 0.3434633 0.1090019 -1.7521404 0.1527866 0.2235735 0.1268517 -2.0029458 55 O -2.5573603 -0.1242381 0.3434633 -0.1090019 -1.7521404 -0.1527866 0.2235735 -0.1268517 -2.0029458 56 O -2.5573603 0.1242381 -0.3434633 0.1090019 -1.7521404 -0.1527866 -0.2235735 -0.1268517 -2.0029458 ---------------------------------------------------------------------------- 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[ 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[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, 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[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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 (zxy) 0.00000000 (zxy) 0.00000000 (zyx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 14:31:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:31:03]------------------------- 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): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnma (62) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.832812209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 17.653922959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 6.154944170000000 Atomic positions (fractional): 1 Y 0.98733872420085 0.90877233973848 0.87275780523280 88.906 2 Y 0.01266127579915 0.40877233973848 0.12724219476720 88.906 3 Y 0.48733872420085 0.59122766026152 0.62724219476720 88.906 4 Y 0.29155968376749 0.25000000000000 0.88596271382430 88.906 5 Y 0.01266127579915 0.09122766026152 0.12724219476720 88.906 6 Y 0.48733872420085 0.90877233973848 0.62724219476720 88.906 7 Y 0.51266127579915 0.09122766026152 0.37275780523280 88.906 8 Y 0.51266127579915 0.40877233973848 0.37275780523280 88.906 9 Y 0.20844031623251 0.75000000000000 0.38596271382429 88.906 10 Y 0.70844031623251 0.75000000000000 0.11403728617570 88.906 11 Y 0.79155968376749 0.25000000000000 0.61403728617570 88.906 12 Y 0.98733872420085 0.59122766026152 0.87275780523280 88.906 13 Si 0.02162685644982 0.09972738737299 0.62226226526003 28.085 14 Si 0.47837314355018 0.90027261262701 0.12226226526003 28.085 15 Si 0.97837314355018 0.90027261262701 0.37773773473997 28.085 16 Si 0.02162685644982 0.40027261262701 0.62226226526003 28.085 17 Si 0.52162685644982 0.40027261262701 0.87773773473997 28.085 18 Si 0.97837314355018 0.59972738737299 0.37773773473997 28.085 19 Si 0.47837314355018 0.59972738737299 0.12226226526003 28.085 20 Si 0.52162685644982 0.09972738737299 0.87773773473997 28.085 21 Cl 0.45533957479596 0.75000000000000 0.74200848615341 35.453 22 Cl 0.95533957479596 0.75000000000000 0.75799151384659 35.453 23 Cl 0.04466042520404 0.25000000000000 0.24200848615341 35.453 24 Cl 0.54466042520404 0.25000000000000 0.25799151384659 35.453 25 O 0.17037767314836 0.61899703777162 0.53220500316433 15.999 26 O 0.69605573703357 0.09499486605842 0.05544336790348 15.999 27 O 0.48967081716497 0.97022132242767 0.29219119638706 15.999 28 O 0.69605573703357 0.40500513394158 0.05544336790348 15.999 29 O 0.46921309646437 0.67649554251559 0.27907433719936 15.999 30 O 0.30394426296643 0.90500513394158 0.94455663209652 15.999 31 O 0.80394426296643 0.59499486605842 0.55544336790348 15.999 32 O 0.03078690353563 0.17649554251559 0.77907433719936 15.999 33 O 0.51032918283503 0.02977867757233 0.70780880361294 15.999 34 O 0.82962232685165 0.11899703777162 0.46779499683567 15.999 35 O 0.96921309646438 0.82350445748441 0.22092566280064 15.999 36 O 0.32962232685164 0.38100296222838 0.03220500316433 15.999 37 O 0.01032918283503 0.02977867757233 0.79219119638706 15.999 38 O 0.03078690353563 0.32350445748440 0.77907433719936 15.999 39 O 0.67037767314835 0.88100296222838 0.96779499683567 15.999 40 O 0.51032918283503 0.47022132242767 0.70780880361294 15.999 41 O 0.48967081716497 0.52977867757233 0.29219119638706 15.999 42 O 0.82962232685165 0.38100296222838 0.46779499683567 15.999 43 O 0.53078690353562 0.17649554251559 0.72092566280064 15.999 44 O 0.98967081716497 0.52977867757233 0.20780880361294 15.999 45 O 0.46921309646437 0.82350445748441 0.27907433719936 15.999 46 O 0.53078690353562 0.32350445748440 0.72092566280064 15.999 47 O 0.01032918283503 0.47022132242767 0.79219119638706 15.999 48 O 0.96921309646438 0.67649554251559 0.22092566280064 15.999 49 O 0.19605573703357 0.09499486605842 0.44455663209652 15.999 50 O 0.19605573703357 0.40500513394158 0.44455663209652 15.999 51 O 0.98967081716497 0.97022132242767 0.20780880361294 15.999 52 O 0.80394426296643 0.90500513394158 0.55544336790348 15.999 53 O 0.30394426296643 0.59499486605842 0.94455663209652 15.999 54 O 0.32962232685164 0.11899703777162 0.03220500316433 15.999 55 O 0.67037767314835 0.61899703777162 0.96779499683567 15.999 56 O 0.17037767314836 0.88100296222838 0.53220500316433 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 6.832812209999999 0.000000000000000 0.000000000000000 b 0.000000000000000 17.653922959999999 0.000000000000000 c 0.000000000000000 0.000000000000000 12.309888340000001 Atomic positions (fractional): 1 Y 0.98733872420085 0.90877233973848 0.43637890261640 88.906 > 1 2 Y 0.98733872420085 0.90877233973848 0.93637890261640 88.906 > 1 3 Y 0.01266127579915 0.40877233973848 0.06362109738360 88.906 > 3 4 Y 0.01266127579915 0.40877233973848 0.56362109738360 88.906 > 3 5 Y 0.48733872420085 0.59122766026152 0.31362109738360 88.906 > 5 6 Y 0.48733872420085 0.59122766026152 0.81362109738360 88.906 > 5 7 Y 0.29155968376749 0.25000000000000 0.44298135691215 88.906 > 7 8 Y 0.29155968376749 0.25000000000000 0.94298135691215 88.906 > 7 9 Y 0.01266127579915 0.09122766026152 0.06362109738360 88.906 > 9 10 Y 0.01266127579915 0.09122766026152 0.56362109738360 88.906 > 9 11 Y 0.48733872420085 0.90877233973848 0.31362109738360 88.906 > 11 12 Y 0.48733872420085 0.90877233973848 0.81362109738360 88.906 > 11 13 Y 0.51266127579915 0.09122766026152 0.18637890261640 88.906 > 13 14 Y 0.51266127579915 0.09122766026152 0.68637890261640 88.906 > 13 15 Y 0.51266127579915 0.40877233973848 0.18637890261640 88.906 > 15 16 Y 0.51266127579915 0.40877233973848 0.68637890261640 88.906 > 15 17 Y 0.20844031623251 0.75000000000000 0.19298135691215 88.906 > 17 18 Y 0.20844031623251 0.75000000000000 0.69298135691215 88.906 > 17 19 Y 0.70844031623251 0.75000000000000 0.05701864308785 88.906 > 19 20 Y 0.70844031623251 0.75000000000000 0.55701864308785 88.906 > 19 21 Y 0.79155968376749 0.25000000000000 0.30701864308785 88.906 > 21 22 Y 0.79155968376749 0.25000000000000 0.80701864308785 88.906 > 21 23 Y 0.98733872420085 0.59122766026152 0.43637890261640 88.906 > 23 24 Y 0.98733872420085 0.59122766026152 0.93637890261640 88.906 > 23 25 Si 0.02162685644982 0.09972738737299 0.31113113263002 28.085 > 25 26 Si 0.02162685644982 0.09972738737299 0.81113113263002 28.085 > 25 27 Si 0.47837314355018 0.90027261262701 0.06113113263002 28.085 > 27 28 Si 0.47837314355018 0.90027261262701 0.56113113263002 28.085 > 27 29 Si 0.97837314355018 0.90027261262701 0.18886886736998 28.085 > 29 30 Si 0.97837314355018 0.90027261262701 0.68886886736998 28.085 > 29 31 Si 0.02162685644982 0.40027261262701 0.31113113263002 28.085 > 31 32 Si 0.02162685644982 0.40027261262701 0.81113113263002 28.085 > 31 33 Si 0.52162685644982 0.40027261262701 0.43886886736998 28.085 > 33 34 Si 0.52162685644982 0.40027261262701 0.93886886736998 28.085 > 33 35 Si 0.97837314355018 0.59972738737299 0.18886886736998 28.085 > 35 36 Si 0.97837314355018 0.59972738737299 0.68886886736998 28.085 > 35 37 Si 0.47837314355018 0.59972738737299 0.06113113263002 28.085 > 37 38 Si 0.47837314355018 0.59972738737299 0.56113113263002 28.085 > 37 39 Si 0.52162685644982 0.09972738737299 0.43886886736998 28.085 > 39 40 Si 0.52162685644982 0.09972738737299 0.93886886736998 28.085 > 39 41 Cl 0.45533957479596 0.75000000000000 0.37100424307670 35.453 > 41 42 Cl 0.45533957479596 0.75000000000000 0.87100424307670 35.453 > 41 43 Cl 0.95533957479596 0.75000000000000 0.37899575692330 35.453 > 43 44 Cl 0.95533957479596 0.75000000000000 0.87899575692330 35.453 > 43 45 Cl 0.04466042520404 0.25000000000000 0.12100424307670 35.453 > 45 46 Cl 0.04466042520404 0.25000000000000 0.62100424307670 35.453 > 45 47 Cl 0.54466042520404 0.25000000000000 0.12899575692330 35.453 > 47 48 Cl 0.54466042520404 0.25000000000000 0.62899575692330 35.453 > 47 49 O 0.17037767314836 0.61899703777162 0.26610250158216 15.999 > 49 50 O 0.17037767314836 0.61899703777162 0.76610250158216 15.999 > 49 51 O 0.69605573703357 0.09499486605842 0.02772168395174 15.999 > 51 52 O 0.69605573703357 0.09499486605842 0.52772168395174 15.999 > 51 53 O 0.48967081716497 0.97022132242767 0.14609559819353 15.999 > 53 54 O 0.48967081716497 0.97022132242767 0.64609559819353 15.999 > 53 55 O 0.69605573703357 0.40500513394158 0.02772168395174 15.999 > 55 56 O 0.69605573703357 0.40500513394158 0.52772168395174 15.999 > 55 57 O 0.46921309646437 0.67649554251559 0.13953716859968 15.999 > 57 58 O 0.46921309646437 0.67649554251559 0.63953716859968 15.999 > 57 59 O 0.30394426296643 0.90500513394158 0.47227831604826 15.999 > 59 60 O 0.30394426296643 0.90500513394158 0.97227831604826 15.999 > 59 61 O 0.80394426296643 0.59499486605842 0.27772168395174 15.999 > 61 62 O 0.80394426296643 0.59499486605842 0.77772168395174 15.999 > 61 63 O 0.03078690353563 0.17649554251559 0.38953716859968 15.999 > 63 64 O 0.03078690353563 0.17649554251559 0.88953716859968 15.999 > 63 65 O 0.51032918283503 0.02977867757233 0.35390440180647 15.999 > 65 66 O 0.51032918283503 0.02977867757233 0.85390440180647 15.999 > 65 67 O 0.82962232685165 0.11899703777162 0.23389749841783 15.999 > 67 68 O 0.82962232685165 0.11899703777162 0.73389749841784 15.999 > 67 69 O 0.96921309646438 0.82350445748441 0.11046283140032 15.999 > 69 70 O 0.96921309646438 0.82350445748441 0.61046283140032 15.999 > 69 71 O 0.32962232685164 0.38100296222838 0.01610250158216 15.999 > 71 72 O 0.32962232685164 0.38100296222838 0.51610250158216 15.999 > 71 73 O 0.01032918283503 0.02977867757233 0.39609559819353 15.999 > 73 74 O 0.01032918283503 0.02977867757233 0.89609559819353 15.999 > 73 75 O 0.03078690353563 0.32350445748440 0.38953716859968 15.999 > 75 76 O 0.03078690353563 0.32350445748440 0.88953716859968 15.999 > 75 77 O 0.67037767314835 0.88100296222838 0.48389749841784 15.999 > 77 78 O 0.67037767314835 0.88100296222838 0.98389749841784 15.999 > 77 79 O 0.51032918283503 0.47022132242767 0.35390440180647 15.999 > 79 80 O 0.51032918283503 0.47022132242767 0.85390440180647 15.999 > 79 81 O 0.48967081716497 0.52977867757233 0.14609559819353 15.999 > 81 82 O 0.48967081716497 0.52977867757233 0.64609559819353 15.999 > 81 83 O 0.82962232685165 0.38100296222838 0.23389749841783 15.999 > 83 84 O 0.82962232685165 0.38100296222838 0.73389749841784 15.999 > 83 85 O 0.53078690353562 0.17649554251559 0.36046283140032 15.999 > 85 86 O 0.53078690353562 0.17649554251559 0.86046283140032 15.999 > 85 87 O 0.98967081716497 0.52977867757233 0.10390440180647 15.999 > 87 88 O 0.98967081716497 0.52977867757233 0.60390440180647 15.999 > 87 89 O 0.46921309646437 0.82350445748441 0.13953716859968 15.999 > 89 90 O 0.46921309646437 0.82350445748441 0.63953716859968 15.999 > 89 91 O 0.53078690353562 0.32350445748440 0.36046283140032 15.999 > 91 92 O 0.53078690353562 0.32350445748440 0.86046283140032 15.999 > 91 93 O 0.01032918283503 0.47022132242767 0.39609559819353 15.999 > 93 94 O 0.01032918283503 0.47022132242767 0.89609559819353 15.999 > 93 95 O 0.96921309646438 0.67649554251559 0.11046283140032 15.999 > 95 96 O 0.96921309646438 0.67649554251559 0.61046283140032 15.999 > 95 97 O 0.19605573703357 0.09499486605842 0.22227831604826 15.999 > 97 98 O 0.19605573703357 0.09499486605842 0.72227831604826 15.999 > 97 99 O 0.19605573703357 0.40500513394158 0.22227831604826 15.999 > 99 100 O 0.19605573703357 0.40500513394158 0.72227831604826 15.999 > 99 101 O 0.98967081716497 0.97022132242767 0.10390440180647 15.999 > 101 102 O 0.98967081716497 0.97022132242767 0.60390440180647 15.999 > 101 103 O 0.80394426296643 0.90500513394158 0.27772168395174 15.999 > 103 104 O 0.80394426296643 0.90500513394158 0.77772168395174 15.999 > 103 105 O 0.30394426296643 0.59499486605842 0.47227831604826 15.999 > 105 106 O 0.30394426296643 0.59499486605842 0.97227831604826 15.999 > 105 107 O 0.32962232685164 0.11899703777162 0.01610250158216 15.999 > 107 108 O 0.32962232685164 0.11899703777162 0.51610250158216 15.999 > 107 109 O 0.67037767314835 0.61899703777162 0.48389749841784 15.999 > 109 110 O 0.67037767314835 0.61899703777162 0.98389749841784 15.999 > 109 111 O 0.17037767314836 0.88100296222838 0.26610250158216 15.999 > 111 112 O 0.17037767314836 0.88100296222838 0.76610250158216 15.999 > 111 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6158303 0.0000000 0.0000000 0.0000000 3.6464299 0.0000000 0.0000000 0.0000000 3.6599407 -------------------------- Born effective charges -------------------------- 1 Y 3.9053772 0.1810439 0.1240016 0.2295199 3.8127955 0.0583949 0.0698944 0.0081434 3.8441490 2 Y 3.9053772 -0.1810439 0.1240016 -0.2295199 3.8127955 -0.0583949 0.0698944 -0.0081434 3.8441490 3 Y 3.9053772 -0.1810439 -0.1240016 -0.2295199 3.8127955 0.0583949 -0.0698944 0.0081434 3.8441490 4 Y 4.1576672 0.0000000 -0.0335666 0.0000000 3.8690097 -0.0000000 0.0510596 -0.0000000 3.2123113 5 Y 3.9053772 0.1810439 0.1240016 0.2295199 3.8127955 0.0583949 0.0698944 0.0081434 3.8441490 6 Y 3.9053772 0.1810439 -0.1240016 0.2295199 3.8127955 -0.0583949 -0.0698944 -0.0081434 3.8441490 7 Y 3.9053772 0.1810439 -0.1240016 0.2295199 3.8127955 -0.0583949 -0.0698944 -0.0081434 3.8441490 8 Y 3.9053772 -0.1810439 -0.1240016 -0.2295199 3.8127955 0.0583949 -0.0698944 0.0081434 3.8441490 9 Y 4.1576672 0.0000000 0.0335666 0.0000000 3.8690097 -0.0000000 -0.0510596 -0.0000000 3.2123113 10 Y 4.1576672 0.0000000 -0.0335666 0.0000000 3.8690097 -0.0000000 0.0510596 -0.0000000 3.2123113 11 Y 4.1576672 0.0000000 0.0335666 0.0000000 3.8690097 -0.0000000 -0.0510596 -0.0000000 3.2123113 12 Y 3.9053772 -0.1810439 0.1240016 -0.2295199 3.8127955 -0.0583949 0.0698944 -0.0081434 3.8441490 13 Si 2.9387410 -0.1510098 -0.0211545 -0.2416077 3.1851399 -0.2565017 -0.1386775 -0.2643009 3.5947570 14 Si 2.9387410 -0.1510098 0.0211545 -0.2416077 3.1851399 0.2565017 0.1386775 0.2643009 3.5947570 15 Si 2.9387410 -0.1510098 -0.0211545 -0.2416077 3.1851399 -0.2565017 -0.1386775 -0.2643009 3.5947570 16 Si 2.9387410 0.1510098 -0.0211545 0.2416077 3.1851399 0.2565017 -0.1386775 0.2643009 3.5947570 17 Si 2.9387410 0.1510098 0.0211545 0.2416077 3.1851399 -0.2565017 0.1386775 -0.2643009 3.5947570 18 Si 2.9387410 0.1510098 -0.0211545 0.2416077 3.1851399 0.2565017 -0.1386775 0.2643009 3.5947570 19 Si 2.9387410 0.1510098 0.0211545 0.2416077 3.1851399 -0.2565017 0.1386775 -0.2643009 3.5947570 20 Si 2.9387410 -0.1510098 0.0211545 -0.2416077 3.1851399 0.2565017 0.1386775 0.2643009 3.5947570 21 Cl -1.0757126 0.0000000 -0.6177352 0.0000000 -1.2800958 -0.0000000 -0.5239767 -0.0000000 -1.2802273 22 Cl -1.0757126 0.0000000 0.6177352 0.0000000 -1.2800958 -0.0000000 0.5239767 -0.0000000 -1.2802273 23 Cl -1.0757126 0.0000000 0.6177352 0.0000000 -1.2800958 -0.0000000 0.5239767 -0.0000000 -1.2802273 24 Cl -1.0757126 0.0000000 -0.6177352 0.0000000 -1.2800958 -0.0000000 -0.5239767 -0.0000000 -1.2802273 25 O -2.5573603 -0.1242381 -0.3434633 -0.1090019 -1.7521404 0.1527866 -0.2235735 0.1268517 -2.0029458 26 O -2.7521167 0.0715402 -0.3040832 0.1218083 -1.2397173 0.0268303 -0.2931350 -0.0104692 -2.1680422 27 O -1.1330033 -0.0684292 -0.0513891 -0.0884153 -2.9250758 -0.4729742 -0.0612407 -0.4080359 -2.2297424 28 O -2.7521167 -0.0715402 -0.3040832 -0.1218083 -1.2397173 -0.0268303 -0.2931350 0.0104692 -2.1680422 29 O -1.9426153 0.0606046 0.4772315 0.0734308 -2.3754588 -0.1155066 0.4663227 -0.1641734 -2.0042177 30 O -2.7521167 0.0715402 -0.3040832 0.1218083 -1.2397173 0.0268303 -0.2931350 -0.0104692 -2.1680422 31 O -2.7521167 -0.0715402 0.3040832 -0.1218083 -1.2397173 0.0268303 0.2931350 -0.0104692 -2.1680422 32 O -1.9426153 -0.0606046 -0.4772315 -0.0734308 -2.3754588 -0.1155066 -0.4663227 -0.1641734 -2.0042177 33 O -1.1330033 -0.0684292 -0.0513891 -0.0884153 -2.9250758 -0.4729742 -0.0612407 -0.4080359 -2.2297424 34 O -2.5573603 0.1242381 -0.3434633 0.1090019 -1.7521404 -0.1527866 -0.2235735 -0.1268517 -2.0029458 35 O -1.9426153 -0.0606046 -0.4772315 -0.0734308 -2.3754588 -0.1155066 -0.4663227 -0.1641734 -2.0042177 36 O -2.5573603 -0.1242381 0.3434633 -0.1090019 -1.7521404 -0.1527866 0.2235735 -0.1268517 -2.0029458 37 O -1.1330033 -0.0684292 0.0513891 -0.0884153 -2.9250758 0.4729742 0.0612407 0.4080359 -2.2297424 38 O -1.9426153 0.0606046 -0.4772315 0.0734308 -2.3754588 0.1155066 -0.4663227 0.1641734 -2.0042177 39 O -2.5573603 0.1242381 0.3434633 0.1090019 -1.7521404 0.1527866 0.2235735 0.1268517 -2.0029458 40 O -1.1330033 0.0684292 -0.0513891 0.0884153 -2.9250758 0.4729742 -0.0612407 0.4080359 -2.2297424 41 O -1.1330033 0.0684292 -0.0513891 0.0884153 -2.9250758 0.4729742 -0.0612407 0.4080359 -2.2297424 42 O -2.5573603 -0.1242381 -0.3434633 -0.1090019 -1.7521404 0.1527866 -0.2235735 0.1268517 -2.0029458 43 O -1.9426153 -0.0606046 0.4772315 -0.0734308 -2.3754588 0.1155066 0.4663227 0.1641734 -2.0042177 44 O -1.1330033 0.0684292 0.0513891 0.0884153 -2.9250758 -0.4729742 0.0612407 -0.4080359 -2.2297424 45 O -1.9426153 -0.0606046 0.4772315 -0.0734308 -2.3754588 0.1155066 0.4663227 0.1641734 -2.0042177 46 O -1.9426153 0.0606046 0.4772315 0.0734308 -2.3754588 -0.1155066 0.4663227 -0.1641734 -2.0042177 47 O -1.1330033 0.0684292 0.0513891 0.0884153 -2.9250758 -0.4729742 0.0612407 -0.4080359 -2.2297424 48 O -1.9426153 0.0606046 -0.4772315 0.0734308 -2.3754588 0.1155066 -0.4663227 0.1641734 -2.0042177 49 O -2.7521167 0.0715402 0.3040832 0.1218083 -1.2397173 -0.0268303 0.2931350 0.0104692 -2.1680422 50 O -2.7521167 -0.0715402 0.3040832 -0.1218083 -1.2397173 0.0268303 0.2931350 -0.0104692 -2.1680422 51 O -1.1330033 -0.0684292 0.0513891 -0.0884153 -2.9250758 0.4729742 0.0612407 0.4080359 -2.2297424 52 O -2.7521167 0.0715402 0.3040832 0.1218083 -1.2397173 -0.0268303 0.2931350 0.0104692 -2.1680422 53 O -2.7521167 -0.0715402 -0.3040832 -0.1218083 -1.2397173 -0.0268303 -0.2931350 0.0104692 -2.1680422 54 O -2.5573603 0.1242381 0.3434633 0.1090019 -1.7521404 0.1527866 0.2235735 0.1268517 -2.0029458 55 O -2.5573603 -0.1242381 0.3434633 -0.1090019 -1.7521404 -0.1527866 0.2235735 -0.1268517 -2.0029458 56 O -2.5573603 0.1242381 -0.3434633 0.1090019 -1.7521404 -0.1527866 -0.2235735 -0.1268517 -2.0029458 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (zxy) 0.00000000 (zxy) 0.00000000 (zyx) 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 ... [ 7 3 8 ] 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: 0.46, Number of G-points: 303, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.256 ( 0.000 0.000 0.000) 0.000 1.770 ( 0.000 0.000 0.000) 0.000 2.084 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.176 ( 0.000 0.000 0.000) 0.000 2.211 ( 0.000 0.000 0.000) 0.000 2.569 ( 0.000 0.000 0.000) 0.000 3.133 ( 0.000 0.000 0.000) 0.000 3.172 ( 0.000 0.000 0.000) 0.000 3.396 ( 0.000 0.000 0.000) 0.000 3.535 ( 0.000 0.000 0.000) 0.000 3.540 ( 0.000 0.000 0.000) 0.000 3.806 ( 0.000 0.000 0.000) 0.000 3.829 ( 0.000 0.000 0.000) 0.000 3.912 ( 0.000 0.000 0.000) 0.000 4.001 ( 0.000 0.000 0.000) 0.000 4.038 ( 0.000 0.000 0.000) 0.000 4.083 ( 0.000 0.000 0.000) 0.000 4.086 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.207 ( 0.000 0.000 0.000) 0.000 4.280 ( 0.000 0.000 0.000) 0.000 4.323 ( 0.000 0.000 0.000) 0.000 4.327 ( 0.000 0.000 0.000) 0.000 4.477 ( 0.000 0.000 0.000) 0.000 4.533 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 4.911 ( 0.000 0.000 0.000) 0.000 5.001 ( 0.000 0.000 0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.219 ( 0.000 0.000 0.000) 0.000 5.232 ( 0.000 0.000 0.000) 0.000 5.267 ( 0.000 0.000 0.000) 0.000 5.364 ( 0.000 0.000 0.000) 0.000 5.380 ( 0.000 0.000 0.000) 0.000 5.424 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 0.000) 0.000 5.688 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.124 ( 0.000 0.000 0.000) 0.000 6.145 ( 0.000 0.000 0.000) 0.000 6.155 ( 0.000 0.000 0.000) 0.000 6.168 ( 0.000 0.000 0.000) 0.000 6.208 ( 0.000 0.000 0.000) 0.000 6.266 ( 0.000 0.000 0.000) 0.000 6.356 ( 0.000 0.000 0.000) 0.000 6.395 ( 0.000 0.000 0.000) 0.000 6.427 ( 0.000 0.000 0.000) 0.000 6.518 ( 0.000 0.000 0.000) 0.000 6.559 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 0.000) 0.000 6.836 ( 0.000 0.000 0.000) 0.000 6.942 ( 0.000 0.000 0.000) 0.000 6.949 ( 0.000 0.000 0.000) 0.000 6.959 ( 0.000 0.000 0.000) 0.000 7.013 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.155 ( 0.000 0.000 0.000) 0.000 7.207 ( 0.000 0.000 0.000) 0.000 7.258 ( 0.000 0.000 0.000) 0.000 7.338 ( 0.000 0.000 0.000) 0.000 7.435 ( 0.000 0.000 0.000) 0.000 7.454 ( 0.000 0.000 0.000) 0.000 7.612 ( 0.000 0.000 0.000) 0.000 7.763 ( 0.000 0.000 0.000) 0.000 8.032 ( 0.000 0.000 0.000) 0.000 8.310 ( 0.000 0.000 0.000) 0.000 8.320 ( 0.000 0.000 0.000) 0.000 8.384 ( 0.000 0.000 0.000) 0.000 8.438 ( 0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 8.479 ( 0.000 0.000 0.000) 0.000 8.627 ( 0.000 0.000 0.000) 0.000 8.890 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 8.928 ( 0.000 0.000 0.000) 0.000 8.999 ( 0.000 0.000 0.000) 0.000 9.159 ( 0.000 0.000 0.000) 0.000 9.258 ( 0.000 0.000 0.000) 0.000 9.305 ( 0.000 0.000 0.000) 0.000 9.431 ( 0.000 0.000 0.000) 0.000 9.454 ( 0.000 0.000 0.000) 0.000 9.456 ( 0.000 0.000 0.000) 0.000 9.496 ( 0.000 0.000 0.000) 0.000 9.543 ( 0.000 0.000 0.000) 0.000 9.600 ( 0.000 0.000 0.000) 0.000 9.667 ( 0.000 0.000 0.000) 0.000 9.700 ( 0.000 0.000 0.000) 0.000 9.935 ( 0.000 0.000 0.000) 0.000 10.056 ( 0.000 0.000 0.000) 0.000 10.192 ( 0.000 0.000 0.000) 0.000 10.206 ( 0.000 0.000 0.000) 0.000 10.488 ( 0.000 0.000 0.000) 0.000 10.490 ( 0.000 0.000 0.000) 0.000 10.881 ( 0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 0.000 0.000) 0.000 11.862 ( 0.000 0.000 0.000) 0.000 12.314 ( 0.000 0.000 0.000) 0.000 12.415 ( 0.000 0.000 0.000) 0.000 12.626 ( 0.000 0.000 0.000) 0.000 12.941 ( 0.000 0.000 0.000) 0.000 13.080 ( 0.000 0.000 0.000) 0.000 13.137 ( 0.000 0.000 0.000) 0.000 13.316 ( 0.000 0.000 0.000) 0.000 13.382 ( 0.000 0.000 0.000) 0.000 13.502 ( 0.000 0.000 0.000) 0.000 13.603 ( 0.000 0.000 0.000) 0.000 13.943 ( 0.000 0.000 0.000) 0.000 14.241 ( 0.000 0.000 0.000) 0.000 14.323 ( 0.000 0.000 0.000) 0.000 14.626 ( 0.000 0.000 0.000) 0.000 14.653 ( 0.000 0.000 0.000) 0.000 14.680 ( 0.000 0.000 0.000) 0.000 14.888 ( 0.000 0.000 0.000) 0.000 15.104 ( 0.000 0.000 0.000) 0.000 15.794 ( 0.000 0.000 0.000) 0.000 15.831 ( 0.000 0.000 0.000) 0.000 16.023 ( 0.000 0.000 0.000) 0.000 16.047 ( 0.000 0.000 0.000) 0.000 16.126 ( 0.000 0.000 0.000) 0.000 16.214 ( 0.000 0.000 0.000) 0.000 16.324 ( 0.000 0.000 0.000) 0.000 16.513 ( 0.000 0.000 0.000) 0.000 16.837 ( 0.000 0.000 0.000) 0.000 16.895 ( 0.000 0.000 0.000) 0.000 16.912 ( 0.000 0.000 0.000) 0.000 16.969 ( 0.000 0.000 0.000) 0.000 17.009 ( 0.000 0.000 0.000) 0.000 17.017 ( 0.000 0.000 0.000) 0.000 24.030 ( 0.000 0.000 0.000) 0.000 24.265 ( 0.000 0.000 0.000) 0.000 24.526 ( 0.000 0.000 0.000) 0.000 24.745 ( 0.000 0.000 0.000) 0.000 25.075 ( 0.000 0.000 0.000) 0.000 25.119 ( 0.000 0.000 0.000) 0.000 25.370 ( 0.000 0.000 0.000) 0.000 25.389 ( 0.000 0.000 0.000) 0.000 25.592 ( 0.000 0.000 0.000) 0.000 25.635 ( 0.000 0.000 0.000) 0.000 25.682 ( 0.000 0.000 0.000) 0.000 25.712 ( 0.000 0.000 0.000) 0.000 25.750 ( 0.000 0.000 0.000) 0.000 25.769 ( 0.000 0.000 0.000) 0.000 25.886 ( 0.000 0.000 0.000) 0.000 26.023 ( 0.000 0.000 0.000) 0.000 27.250 ( 0.000 0.000 0.000) 0.000 27.621 ( 0.000 0.000 0.000) 0.000 27.638 ( 0.000 0.000 0.000) 0.000 27.689 ( 0.000 0.000 0.000) 0.000 27.728 ( 0.000 0.000 0.000) 0.000 28.247 ( 0.000 0.000 0.000) 0.000 28.544 ( 0.000 0.000 0.000) 0.000 28.643 ( 0.000 0.000 0.000) 0.000 28.851 ( 0.000 0.000 0.000) 0.000 28.880 ( 0.000 0.000 0.000) 0.000 29.219 ( 0.000 0.000 0.000) 0.000 29.220 ( 0.000 0.000 0.000) 0.000 30.016 ( 0.000 0.000 0.000) 0.000 30.025 ( 0.000 0.000 0.000) 0.000 30.029 ( 0.000 0.000 0.000) 0.000 30.971 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 25.366 0.000 0.000) 25.366 0.882 ( 41.227 0.000 0.000) 41.227 1.090 ( 50.965 0.000 0.000) 50.965 1.669 ( 32.214 0.000 0.000) 32.214 1.852 ( -15.152 0.000 0.000) 15.152 1.937 ( 14.736 0.000 0.000) 14.736 2.298 ( 14.806 0.000 0.000) 14.806 2.362 ( 13.314 0.000 0.000) 13.314 2.394 ( 10.566 0.000 0.000) 10.566 2.759 ( 14.460 0.000 0.000) 14.460 3.005 ( -9.848 0.000 0.000) 9.848 3.249 ( 4.120 0.000 0.000) 4.120 3.346 ( -5.085 0.000 0.000) 5.085 3.560 ( 2.228 0.000 0.000) 2.228 3.570 ( 5.596 0.000 0.000) 5.596 3.791 ( -1.871 0.000 0.000) 1.871 3.863 ( -6.442 0.000 0.000) 6.442 3.924 ( -1.880 0.000 0.000) 1.880 3.961 ( -6.620 0.000 0.000) 6.620 3.984 ( -4.394 0.000 0.000) 4.394 4.071 ( 6.232 0.000 0.000) 6.232 4.077 ( -1.542 0.000 0.000) 1.542 4.173 ( -6.608 0.000 0.000) 6.608 4.253 ( 6.207 0.000 0.000) 6.207 4.282 ( 1.070 0.000 0.000) 1.070 4.302 ( 4.256 0.000 0.000) 4.256 4.304 ( -1.806 0.000 0.000) 1.806 4.523 ( -11.043 0.000 0.000) 11.043 4.524 ( -1.164 0.000 0.000) 1.164 4.560 ( 7.640 0.000 0.000) 7.640 4.679 ( -9.309 0.000 0.000) 9.309 4.869 ( -3.607 0.000 0.000) 3.607 4.923 ( -0.837 0.000 0.000) 0.837 4.960 ( 2.322 0.000 0.000) 2.322 5.001 ( 7.304 0.000 0.000) 7.304 5.084 ( -9.474 0.000 0.000) 9.474 5.207 ( -0.660 0.000 0.000) 0.660 5.208 ( 1.479 0.000 0.000) 1.479 5.247 ( -4.135 0.000 0.000) 4.135 5.401 ( 8.028 0.000 0.000) 8.028 5.427 ( -0.220 0.000 0.000) 0.220 5.615 ( 13.588 0.000 0.000) 13.588 5.674 ( -1.821 0.000 0.000) 1.821 5.694 ( 10.222 0.000 0.000) 10.222 6.080 ( -5.155 0.000 0.000) 5.155 6.140 ( 1.573 0.000 0.000) 1.573 6.171 ( 0.454 0.000 0.000) 0.454 6.196 ( 3.243 0.000 0.000) 3.243 6.232 ( 4.466 0.000 0.000) 4.466 6.277 ( 1.528 0.000 0.000) 1.528 6.306 ( -4.724 0.000 0.000) 4.724 6.333 ( -0.497 0.000 0.000) 0.497 6.364 ( 7.843 0.000 0.000) 7.843 6.466 ( 6.565 0.000 0.000) 6.565 6.467 ( -4.200 0.000 0.000) 4.200 6.518 ( -5.953 0.000 0.000) 5.953 6.748 ( -12.954 0.000 0.000) 12.954 6.797 ( 2.316 0.000 0.000) 2.316 6.858 ( -3.492 0.000 0.000) 3.492 6.923 ( -6.938 0.000 0.000) 6.938 6.956 ( 0.773 0.000 0.000) 0.773 7.100 ( -0.606 0.000 0.000) 0.606 7.171 ( 6.836 0.000 0.000) 6.836 7.175 ( 4.202 0.000 0.000) 4.202 7.190 ( 0.384 0.000 0.000) 0.384 7.208 ( -4.336 0.000 0.000) 4.336 7.346 ( 2.149 0.000 0.000) 2.149 7.608 ( 12.241 0.000 0.000) 12.241 7.653 ( 4.046 0.000 0.000) 4.046 7.742 ( -10.850 0.000 0.000) 10.850 7.821 ( 4.697 0.000 0.000) 4.697 7.949 ( -5.609 0.000 0.000) 5.609 8.227 ( -10.743 0.000 0.000) 10.743 8.270 ( -3.154 0.000 0.000) 3.154 8.280 ( -4.995 0.000 0.000) 4.995 8.349 ( -2.246 0.000 0.000) 2.246 8.436 ( -0.757 0.000 0.000) 0.757 8.709 ( -0.280 0.000 0.000) 0.280 8.784 ( 4.292 0.000 0.000) 4.292 8.842 ( 3.541 0.000 0.000) 3.541 8.883 ( -19.884 0.000 0.000) 19.884 8.893 ( -0.425 0.000 0.000) 0.425 8.977 ( 3.690 0.000 0.000) 3.690 9.232 ( -2.348 0.000 0.000) 2.348 9.244 ( 5.320 0.000 0.000) 5.320 9.297 ( -1.122 0.000 0.000) 1.122 9.387 ( -0.791 0.000 0.000) 0.791 9.442 ( 6.505 0.000 0.000) 6.505 9.507 ( -3.208 0.000 0.000) 3.208 9.516 ( -0.288 0.000 0.000) 0.288 9.612 ( -4.909 0.000 0.000) 4.909 9.633 ( -5.829 0.000 0.000) 5.829 9.736 ( 6.755 0.000 0.000) 6.755 9.898 ( -3.173 0.000 0.000) 3.173 10.034 ( -1.888 0.000 0.000) 1.888 10.147 ( -4.188 0.000 0.000) 4.188 10.188 ( -2.228 0.000 0.000) 2.228 10.410 ( -6.701 0.000 0.000) 6.701 10.425 ( -6.920 0.000 0.000) 6.920 10.793 ( -7.993 0.000 0.000) 7.993 10.879 ( -2.823 0.000 0.000) 2.823 10.915 ( -3.621 0.000 0.000) 3.621 11.162 ( -7.022 0.000 0.000) 7.022 11.798 ( -5.925 0.000 0.000) 5.925 12.427 ( 9.851 0.000 0.000) 9.851 12.541 ( 10.760 0.000 0.000) 10.760 12.720 ( 8.863 0.000 0.000) 8.863 13.131 ( 6.884 0.000 0.000) 6.884 13.135 ( -0.179 0.000 0.000) 0.179 13.466 ( 11.769 0.000 0.000) 11.769 13.491 ( -0.949 0.000 0.000) 0.949 13.533 ( 11.730 0.000 0.000) 11.730 13.679 ( 7.783 0.000 0.000) 7.783 13.893 ( -4.810 0.000 0.000) 4.810 13.973 ( 1.345 0.000 0.000) 1.345 14.167 ( -6.890 0.000 0.000) 6.890 14.294 ( -2.786 0.000 0.000) 2.786 14.626 ( -5.085 0.000 0.000) 5.085 14.628 ( -2.305 0.000 0.000) 2.305 14.655 ( 2.856 0.000 0.000) 2.856 14.831 ( -5.321 0.000 0.000) 5.321 15.532 ( 8.173 0.000 0.000) 8.173 15.764 ( -2.619 0.000 0.000) 2.619 15.829 ( -10.925 0.000 0.000) 10.925 15.874 ( 4.228 0.000 0.000) 4.228 16.029 ( -6.099 0.000 0.000) 6.099 16.229 ( 8.068 0.000 0.000) 8.068 16.238 ( 2.001 0.000 0.000) 2.001 16.387 ( 4.648 0.000 0.000) 4.648 16.556 ( 3.833 0.000 0.000) 3.833 16.761 ( -5.298 0.000 0.000) 5.298 16.871 ( -2.821 0.000 0.000) 2.821 16.900 ( -1.153 0.000 0.000) 1.153 16.966 ( -4.017 0.000 0.000) 4.017 16.977 ( -3.658 0.000 0.000) 3.658 17.052 ( -1.702 0.000 0.000) 1.702 24.060 ( 2.589 0.000 0.000) 2.589 24.261 ( -0.371 0.000 0.000) 0.371 24.527 ( 0.131 0.000 0.000) 0.131 24.692 ( -3.845 0.000 0.000) 3.845 25.171 ( 8.296 0.000 0.000) 8.296 25.386 ( 1.504 0.000 0.000) 1.504 25.452 ( 4.645 0.000 0.000) 4.645 25.608 ( 1.485 0.000 0.000) 1.485 25.649 ( 1.157 0.000 0.000) 1.157 25.728 ( 3.666 0.000 0.000) 3.666 25.736 ( 2.187 0.000 0.000) 2.187 25.737 ( -1.065 0.000 0.000) 1.065 25.775 ( 0.541 0.000 0.000) 0.541 25.912 ( 2.561 0.000 0.000) 2.561 26.003 ( -1.816 0.000 0.000) 1.816 26.796 ( -6.732 0.000 0.000) 6.732 27.271 ( 1.673 0.000 0.000) 1.673 27.506 ( -5.315 0.000 0.000) 5.315 27.604 ( -2.982 0.000 0.000) 2.982 27.768 ( 6.765 0.000 0.000) 6.765 27.878 ( 9.387 0.000 0.000) 9.387 28.265 ( 1.063 0.000 0.000) 1.063 28.466 ( -7.474 0.000 0.000) 7.474 28.876 ( 2.312 0.000 0.000) 2.312 28.906 ( 2.413 0.000 0.000) 2.413 29.189 ( -2.816 0.000 0.000) 2.816 29.202 ( -1.588 0.000 0.000) 1.588 29.551 ( -9.852 0.000 0.000) 9.852 30.012 ( -0.330 0.000 0.000) 0.330 30.028 ( 0.037 0.000 0.000) 0.037 30.044 ( 1.488 0.000 0.000) 1.488 30.845 ( -16.588 0.000 0.000) 16.588 ======================= Grid point 2 (3/40) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 30.447 0.000 0.000) 30.447 1.678 ( 2.041 0.000 0.000) 2.041 1.702 ( 36.591 0.000 0.000) 36.591 2.026 ( 34.314 0.000 0.000) 34.314 2.308 ( 18.296 0.000 0.000) 18.296 2.406 ( 37.786 0.000 0.000) 37.786 2.663 ( 13.817 0.000 0.000) 13.817 2.698 ( 21.672 0.000 0.000) 21.672 2.711 ( 19.250 0.000 0.000) 19.250 2.715 ( -17.880 0.000 0.000) 17.880 3.097 ( 16.524 0.000 0.000) 16.524 3.188 ( -9.566 0.000 0.000) 9.566 3.257 ( -7.451 0.000 0.000) 7.451 3.620 ( 2.388 0.000 0.000) 2.388 3.635 ( -11.778 0.000 0.000) 11.778 3.702 ( -6.957 0.000 0.000) 6.957 3.718 ( -13.800 0.000 0.000) 13.800 3.736 ( -12.512 0.000 0.000) 12.512 3.817 ( -5.308 0.000 0.000) 5.308 3.851 ( 16.865 0.000 0.000) 16.865 4.079 ( -0.627 0.000 0.000) 0.627 4.119 ( 3.353 0.000 0.000) 3.353 4.149 ( -1.549 0.000 0.000) 1.549 4.156 ( -8.249 0.000 0.000) 8.249 4.243 ( -8.320 0.000 0.000) 8.320 4.311 ( -5.308 0.000 0.000) 5.308 4.322 ( -12.633 0.000 0.000) 12.633 4.417 ( 7.208 0.000 0.000) 7.208 4.539 ( 2.745 0.000 0.000) 2.745 4.686 ( 10.660 0.000 0.000) 10.660 4.764 ( 11.170 0.000 0.000) 11.170 4.801 ( -0.948 0.000 0.000) 0.948 4.884 ( -4.196 0.000 0.000) 4.196 5.023 ( -5.271 0.000 0.000) 5.271 5.043 ( 8.084 0.000 0.000) 8.084 5.064 ( 8.274 0.000 0.000) 8.274 5.144 ( -4.291 0.000 0.000) 4.291 5.259 ( 3.819 0.000 0.000) 3.819 5.331 ( 10.460 0.000 0.000) 10.460 5.396 ( -2.913 0.000 0.000) 2.913 5.563 ( 7.478 0.000 0.000) 7.478 5.574 ( -8.167 0.000 0.000) 8.167 5.779 ( -3.625 0.000 0.000) 3.625 5.909 ( 9.463 0.000 0.000) 9.463 5.983 ( -5.069 0.000 0.000) 5.069 6.072 ( 0.509 0.000 0.000) 0.509 6.205 ( 4.698 0.000 0.000) 4.698 6.215 ( -1.561 0.000 0.000) 1.561 6.255 ( -0.395 0.000 0.000) 0.395 6.329 ( 2.625 0.000 0.000) 2.625 6.382 ( -5.330 0.000 0.000) 5.330 6.389 ( -0.186 0.000 0.000) 0.186 6.402 ( -0.067 0.000 0.000) 0.067 6.422 ( 0.134 0.000 0.000) 0.134 6.469 ( -1.609 0.000 0.000) 1.609 6.505 ( 5.491 0.000 0.000) 5.491 6.636 ( 7.307 0.000 0.000) 7.307 6.707 ( -10.728 0.000 0.000) 10.728 6.837 ( -0.661 0.000 0.000) 0.661 6.876 ( 5.537 0.000 0.000) 5.537 6.936 ( -4.061 0.000 0.000) 4.061 7.063 ( -1.027 0.000 0.000) 1.027 7.127 ( -1.596 0.000 0.000) 1.596 7.221 ( 0.660 0.000 0.000) 0.660 7.231 ( 1.879 0.000 0.000) 1.879 7.315 ( 8.150 0.000 0.000) 8.150 7.472 ( 8.569 0.000 0.000) 8.569 7.502 ( -10.074 0.000 0.000) 10.074 7.748 ( 3.756 0.000 0.000) 3.756 7.850 ( -3.623 0.000 0.000) 3.623 7.880 ( 12.132 0.000 0.000) 12.132 7.919 ( 3.896 0.000 0.000) 3.896 8.012 ( -9.233 0.000 0.000) 9.233 8.115 ( -11.173 0.000 0.000) 11.173 8.214 ( -1.055 0.000 0.000) 1.055 8.255 ( -5.983 0.000 0.000) 5.983 8.396 ( -2.676 0.000 0.000) 2.676 8.489 ( -19.369 0.000 0.000) 19.369 8.562 ( -8.903 0.000 0.000) 8.903 8.668 ( -4.874 0.000 0.000) 4.874 8.912 ( 2.765 0.000 0.000) 2.765 9.081 ( 6.203 0.000 0.000) 6.203 9.100 ( 9.123 0.000 0.000) 9.123 9.178 ( -2.073 0.000 0.000) 2.073 9.274 ( -0.885 0.000 0.000) 0.885 9.350 ( 1.728 0.000 0.000) 1.728 9.433 ( -2.975 0.000 0.000) 2.975 9.444 ( -0.240 0.000 0.000) 0.240 9.475 ( -7.419 0.000 0.000) 7.419 9.486 ( 1.342 0.000 0.000) 1.342 9.509 ( -4.754 0.000 0.000) 4.754 9.593 ( 6.768 0.000 0.000) 6.768 9.714 ( -5.589 0.000 0.000) 5.589 9.826 ( -3.176 0.000 0.000) 3.176 9.990 ( -2.133 0.000 0.000) 2.133 10.028 ( -6.855 0.000 0.000) 6.855 10.120 ( -7.641 0.000 0.000) 7.641 10.188 ( -14.795 0.000 0.000) 14.795 10.232 ( -4.876 0.000 0.000) 4.876 10.602 ( -3.465 0.000 0.000) 3.465 10.800 ( -4.506 0.000 0.000) 4.506 10.955 ( -12.359 0.000 0.000) 12.359 10.985 ( 6.690 0.000 0.000) 6.690 11.626 ( -10.082 0.000 0.000) 10.082 12.688 ( 14.419 0.000 0.000) 14.419 12.820 ( 15.333 0.000 0.000) 15.333 12.954 ( 11.843 0.000 0.000) 11.843 13.127 ( -0.681 0.000 0.000) 0.681 13.379 ( 15.712 0.000 0.000) 15.712 13.465 ( -1.550 0.000 0.000) 1.550 13.631 ( 2.091 0.000 0.000) 2.091 13.740 ( -9.812 0.000 0.000) 9.812 13.799 ( 12.937 0.000 0.000) 12.937 13.906 ( 13.321 0.000 0.000) 13.321 13.965 ( -11.911 0.000 0.000) 11.911 14.081 ( 9.172 0.000 0.000) 9.172 14.204 ( -6.029 0.000 0.000) 6.029 14.474 ( -9.011 0.000 0.000) 9.011 14.560 ( -4.177 0.000 0.000) 4.177 14.673 ( -9.507 0.000 0.000) 9.507 14.754 ( 7.019 0.000 0.000) 7.019 15.572 ( -13.769 0.000 0.000) 13.769 15.708 ( -1.983 0.000 0.000) 1.983 15.756 ( 12.285 0.000 0.000) 12.285 15.890 ( -6.627 0.000 0.000) 6.627 16.019 ( 9.931 0.000 0.000) 9.931 16.271 ( 0.240 0.000 0.000) 0.240 16.391 ( 7.329 0.000 0.000) 7.329 16.485 ( 4.402 0.000 0.000) 4.402 16.647 ( 3.354 0.000 0.000) 3.354 16.667 ( -3.336 0.000 0.000) 3.336 16.784 ( -5.150 0.000 0.000) 5.150 16.847 ( -6.497 0.000 0.000) 6.497 16.866 ( -2.009 0.000 0.000) 2.009 16.886 ( -4.258 0.000 0.000) 4.258 17.007 ( -2.610 0.000 0.000) 2.610 24.124 ( 3.209 0.000 0.000) 3.209 24.249 ( -0.820 0.000 0.000) 0.820 24.533 ( 0.437 0.000 0.000) 0.437 24.620 ( -2.816 0.000 0.000) 2.816 25.368 ( 9.203 0.000 0.000) 9.203 25.431 ( 2.730 0.000 0.000) 2.730 25.549 ( 4.456 0.000 0.000) 4.456 25.648 ( 2.055 0.000 0.000) 2.055 25.674 ( 0.956 0.000 0.000) 0.956 25.705 ( -1.881 0.000 0.000) 1.881 25.791 ( 0.887 0.000 0.000) 0.887 25.791 ( 2.760 0.000 0.000) 2.760 25.797 ( 2.295 0.000 0.000) 2.295 25.954 ( -2.748 0.000 0.000) 2.748 25.996 ( 5.585 0.000 0.000) 5.585 26.606 ( -10.911 0.000 0.000) 10.911 27.306 ( 1.495 0.000 0.000) 1.495 27.412 ( -3.556 0.000 0.000) 3.556 27.593 ( 2.309 0.000 0.000) 2.309 27.911 ( 6.872 0.000 0.000) 6.872 28.105 ( 12.363 0.000 0.000) 12.363 28.244 ( -13.111 0.000 0.000) 13.111 28.261 ( -1.978 0.000 0.000) 1.978 28.941 ( 3.724 0.000 0.000) 3.724 28.975 ( 3.927 0.000 0.000) 3.927 29.085 ( -9.345 0.000 0.000) 9.345 29.157 ( -2.635 0.000 0.000) 2.635 29.287 ( -11.984 0.000 0.000) 11.984 30.008 ( 0.069 0.000 0.000) 0.069 30.039 ( 1.248 0.000 0.000) 1.248 30.065 ( 0.156 0.000 0.000) 0.156 30.489 ( -15.362 0.000 0.000) 15.362 ======================= Grid point 3 (4/40) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( 28.421 0.000 0.000) 28.421 1.977 ( 24.544 0.000 0.000) 24.544 2.251 ( -24.417 0.000 0.000) 24.417 2.366 ( 24.642 0.000 0.000) 24.642 2.482 ( -13.718 0.000 0.000) 13.718 2.498 ( 12.363 0.000 0.000) 12.363 2.866 ( 3.101 0.000 0.000) 3.101 2.946 ( -8.255 0.000 0.000) 8.255 3.028 ( 16.002 0.000 0.000) 16.002 3.065 ( 4.078 0.000 0.000) 4.078 3.123 ( 9.792 0.000 0.000) 9.792 3.288 ( 35.279 0.000 0.000) 35.279 3.328 ( -7.517 0.000 0.000) 7.517 3.407 ( -4.656 0.000 0.000) 4.656 3.461 ( 2.140 0.000 0.000) 2.140 3.513 ( -10.012 0.000 0.000) 10.012 3.601 ( -4.856 0.000 0.000) 4.856 3.621 ( 1.936 0.000 0.000) 1.936 3.824 ( 4.023 0.000 0.000) 4.023 3.879 ( -17.447 0.000 0.000) 17.447 3.914 ( -20.540 0.000 0.000) 20.540 3.989 ( -7.447 0.000 0.000) 7.447 4.078 ( 0.398 0.000 0.000) 0.398 4.103 ( -1.997 0.000 0.000) 1.997 4.230 ( 7.271 0.000 0.000) 7.271 4.241 ( 5.120 0.000 0.000) 5.120 4.287 ( -0.469 0.000 0.000) 0.469 4.395 ( -7.031 0.000 0.000) 7.031 4.683 ( 11.616 0.000 0.000) 11.616 4.836 ( 5.891 0.000 0.000) 5.891 4.854 ( 2.772 0.000 0.000) 2.772 4.855 ( 1.390 0.000 0.000) 1.390 4.868 ( -7.764 0.000 0.000) 7.764 5.023 ( -8.378 0.000 0.000) 8.378 5.029 ( 12.873 0.000 0.000) 12.873 5.245 ( 7.605 0.000 0.000) 7.605 5.283 ( -9.613 0.000 0.000) 9.613 5.332 ( 15.551 0.000 0.000) 15.551 5.383 ( -7.418 0.000 0.000) 7.418 5.385 ( 9.281 0.000 0.000) 9.281 5.518 ( 0.446 0.000 0.000) 0.446 5.592 ( -7.162 0.000 0.000) 7.162 5.713 ( 6.820 0.000 0.000) 6.820 5.852 ( -6.703 0.000 0.000) 6.703 6.061 ( -10.465 0.000 0.000) 10.465 6.075 ( 6.491 0.000 0.000) 6.491 6.112 ( -10.215 0.000 0.000) 10.215 6.186 ( -3.843 0.000 0.000) 3.843 6.209 ( 5.707 0.000 0.000) 5.707 6.309 ( 4.179 0.000 0.000) 4.179 6.313 ( -3.178 0.000 0.000) 3.178 6.342 ( 0.823 0.000 0.000) 0.823 6.457 ( 2.964 0.000 0.000) 2.964 6.497 ( -0.688 0.000 0.000) 0.688 6.572 ( 3.425 0.000 0.000) 3.425 6.591 ( -0.556 0.000 0.000) 0.556 6.617 ( 5.554 0.000 0.000) 5.554 6.742 ( -6.680 0.000 0.000) 6.680 6.747 ( 4.208 0.000 0.000) 4.208 6.837 ( -4.433 0.000 0.000) 4.433 7.025 ( 6.606 0.000 0.000) 6.606 7.088 ( 2.820 0.000 0.000) 2.820 7.113 ( -1.667 0.000 0.000) 1.667 7.163 ( -4.646 0.000 0.000) 4.646 7.300 ( 4.517 0.000 0.000) 4.517 7.381 ( -3.005 0.000 0.000) 3.005 7.541 ( 12.964 0.000 0.000) 12.964 7.660 ( 9.159 0.000 0.000) 9.159 7.764 ( -6.313 0.000 0.000) 6.313 7.793 ( 1.549 0.000 0.000) 1.549 7.864 ( -5.012 0.000 0.000) 5.012 7.865 ( -11.107 0.000 0.000) 11.107 7.972 ( 1.864 0.000 0.000) 1.864 8.048 ( 4.249 0.000 0.000) 4.249 8.106 ( -14.103 0.000 0.000) 14.103 8.137 ( -5.030 0.000 0.000) 5.030 8.280 ( 6.571 0.000 0.000) 6.571 8.381 ( 3.230 0.000 0.000) 3.230 8.417 ( -6.463 0.000 0.000) 6.463 8.526 ( -8.240 0.000 0.000) 8.240 9.030 ( 8.559 0.000 0.000) 8.559 9.178 ( 2.597 0.000 0.000) 2.597 9.201 ( 3.451 0.000 0.000) 3.451 9.207 ( 1.917 0.000 0.000) 1.917 9.229 ( -7.075 0.000 0.000) 7.075 9.281 ( -6.265 0.000 0.000) 6.265 9.320 ( -2.881 0.000 0.000) 2.881 9.349 ( -4.019 0.000 0.000) 4.019 9.423 ( 2.795 0.000 0.000) 2.795 9.489 ( 4.354 0.000 0.000) 4.354 9.548 ( -7.650 0.000 0.000) 7.650 9.585 ( 1.676 0.000 0.000) 1.676 9.733 ( 3.300 0.000 0.000) 3.300 9.776 ( -1.740 0.000 0.000) 1.740 9.858 ( -9.440 0.000 0.000) 9.440 9.878 ( -6.744 0.000 0.000) 6.744 9.947 ( -1.879 0.000 0.000) 1.879 9.949 ( -4.644 0.000 0.000) 4.644 10.364 ( 12.569 0.000 0.000) 12.569 10.616 ( 3.108 0.000 0.000) 3.108 10.664 ( -14.920 0.000 0.000) 14.920 10.701 ( -4.689 0.000 0.000) 4.689 11.164 ( 10.167 0.000 0.000) 10.167 11.395 ( -11.538 0.000 0.000) 11.538 12.970 ( 10.363 0.000 0.000) 10.363 13.095 ( -2.844 0.000 0.000) 2.844 13.154 ( 15.642 0.000 0.000) 15.642 13.198 ( 12.674 0.000 0.000) 12.674 13.401 ( -6.306 0.000 0.000) 6.306 13.489 ( -13.816 0.000 0.000) 13.816 13.632 ( 0.061 0.000 0.000) 0.061 13.717 ( -9.540 0.000 0.000) 9.540 13.726 ( 16.213 0.000 0.000) 16.213 14.023 ( -11.638 0.000 0.000) 11.638 14.055 ( 11.274 0.000 0.000) 11.274 14.181 ( 12.787 0.000 0.000) 12.787 14.272 ( -9.890 0.000 0.000) 9.890 14.292 ( 9.560 0.000 0.000) 9.560 14.436 ( -10.360 0.000 0.000) 10.360 14.462 ( -7.864 0.000 0.000) 7.864 14.960 ( 12.620 0.000 0.000) 12.620 15.261 ( -15.403 0.000 0.000) 15.403 15.701 ( 1.475 0.000 0.000) 1.475 15.768 ( -4.751 0.000 0.000) 4.751 16.010 ( 11.493 0.000 0.000) 11.493 16.209 ( -6.656 0.000 0.000) 6.656 16.278 ( 13.959 0.000 0.000) 13.959 16.534 ( 6.254 0.000 0.000) 6.254 16.557 ( -11.409 0.000 0.000) 11.409 16.565 ( 3.298 0.000 0.000) 3.298 16.613 ( -2.233 0.000 0.000) 2.233 16.668 ( -5.851 0.000 0.000) 5.851 16.798 ( 0.413 0.000 0.000) 0.413 16.823 ( -1.892 0.000 0.000) 1.892 16.858 ( 2.866 0.000 0.000) 2.866 16.940 ( -3.852 0.000 0.000) 3.852 24.184 ( 2.454 0.000 0.000) 2.454 24.225 ( -1.500 0.000 0.000) 1.500 24.547 ( 0.943 0.000 0.000) 0.943 24.574 ( -1.668 0.000 0.000) 1.668 25.491 ( 2.665 0.000 0.000) 2.665 25.505 ( 2.787 0.000 0.000) 2.787 25.631 ( 3.206 0.000 0.000) 3.206 25.674 ( -0.409 0.000 0.000) 0.409 25.676 ( -0.978 0.000 0.000) 0.978 25.678 ( 0.378 0.000 0.000) 0.378 25.810 ( 0.870 0.000 0.000) 0.870 25.820 ( 0.113 0.000 0.000) 0.113 25.844 ( 2.345 0.000 0.000) 2.345 25.896 ( -2.667 0.000 0.000) 2.667 26.149 ( 9.020 0.000 0.000) 9.020 26.366 ( -11.422 0.000 0.000) 11.422 27.331 ( 1.015 0.000 0.000) 1.015 27.358 ( -1.731 0.000 0.000) 1.731 27.711 ( 8.960 0.000 0.000) 8.960 27.954 ( -13.651 0.000 0.000) 13.651 28.053 ( 6.658 0.000 0.000) 6.658 28.182 ( -5.302 0.000 0.000) 5.302 28.399 ( 15.772 0.000 0.000) 15.772 28.760 ( -18.299 0.000 0.000) 18.299 29.022 ( 3.819 0.000 0.000) 3.819 29.061 ( 4.094 0.000 0.000) 4.094 29.096 ( -3.209 0.000 0.000) 3.209 29.144 ( -4.116 0.000 0.000) 4.116 30.020 ( 1.121 0.000 0.000) 1.121 30.049 ( -1.424 0.000 0.000) 1.424 30.094 ( 4.351 0.000 0.000) 4.351 30.233 ( -9.223 0.000 0.000) 9.223 ======================= Grid point 7 (5/40) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 0.000 27.224 0.000) 27.224 0.668 ( 0.000 35.033 0.000) 35.033 0.997 ( 0.000 -19.437 0.000) 19.437 1.311 ( 0.000 -32.484 0.000) 32.484 1.339 ( 0.000 65.867 0.000) 65.867 2.165 ( 0.000 -2.663 0.000) 2.663 2.200 ( 0.000 1.977 0.000) 1.977 2.264 ( 0.000 11.756 0.000) 11.756 2.483 ( 0.000 -8.917 0.000) 8.917 2.522 ( 0.000 24.897 0.000) 24.897 2.612 ( 0.000 -59.154 0.000) 59.154 2.940 ( 0.000 -18.034 0.000) 18.034 3.236 ( 0.000 5.835 0.000) 5.835 3.347 ( 0.000 -4.899 0.000) 4.899 3.627 ( 0.000 7.476 0.000) 7.476 3.758 ( 0.000 -5.158 0.000) 5.158 3.935 ( 0.000 2.757 0.000) 2.757 3.993 ( 0.000 1.989 0.000) 1.989 4.004 ( 0.000 -4.350 0.000) 4.350 4.096 ( 0.000 -8.181 0.000) 8.181 4.105 ( 0.000 6.294 0.000) 6.294 4.184 ( 0.000 4.063 0.000) 4.063 4.189 ( 0.000 7.464 0.000) 7.464 4.242 ( 0.000 -7.243 0.000) 7.243 4.320 ( 0.000 14.120 0.000) 14.120 4.322 ( 0.000 2.489 0.000) 2.489 4.463 ( 0.000 -7.641 0.000) 7.641 4.490 ( 0.000 -1.310 0.000) 1.310 4.698 ( 0.000 0.509 0.000) 0.509 4.721 ( 0.000 34.215 0.000) 34.215 4.832 ( 0.000 1.532 0.000) 1.532 4.844 ( 0.000 -13.443 0.000) 13.443 4.880 ( 0.000 -2.791 0.000) 2.791 4.951 ( 0.000 6.445 0.000) 6.445 4.980 ( 0.000 2.045 0.000) 2.045 5.010 ( 0.000 -9.976 0.000) 9.976 5.024 ( 0.000 0.519 0.000) 0.519 5.263 ( 0.000 3.210 0.000) 3.210 5.333 ( 0.000 -3.501 0.000) 3.501 5.364 ( 0.000 0.684 0.000) 0.684 5.372 ( 0.000 -20.859 0.000) 20.859 5.405 ( 0.000 -1.762 0.000) 1.762 5.664 ( 0.000 13.405 0.000) 13.405 5.884 ( 0.000 7.049 0.000) 7.049 5.947 ( 0.000 -14.776 0.000) 14.776 6.022 ( 0.000 -5.184 0.000) 5.184 6.152 ( 0.000 1.331 0.000) 1.331 6.183 ( 0.000 -1.728 0.000) 1.728 6.195 ( 0.000 3.617 0.000) 3.617 6.249 ( 0.000 6.646 0.000) 6.646 6.287 ( 0.000 -5.127 0.000) 5.127 6.359 ( 0.000 7.563 0.000) 7.563 6.429 ( 0.000 -10.415 0.000) 10.415 6.449 ( 0.000 0.416 0.000) 0.416 6.542 ( 0.000 10.856 0.000) 10.856 6.610 ( 0.000 6.588 0.000) 6.588 6.731 ( 0.000 -5.610 0.000) 5.610 6.774 ( 0.000 -12.242 0.000) 12.242 6.951 ( 0.000 -2.441 0.000) 2.441 6.954 ( 0.000 7.991 0.000) 7.991 6.962 ( 0.000 -3.072 0.000) 3.072 7.082 ( 0.000 -4.984 0.000) 4.984 7.155 ( 0.000 9.240 0.000) 9.240 7.213 ( 0.000 4.170 0.000) 4.170 7.292 ( 0.000 6.423 0.000) 6.423 7.307 ( 0.000 -2.697 0.000) 2.697 7.359 ( 0.000 -8.270 0.000) 8.270 7.394 ( 0.000 -3.987 0.000) 3.987 7.694 ( 0.000 6.718 0.000) 6.718 7.777 ( 0.000 -0.823 0.000) 0.823 8.106 ( 0.000 6.824 0.000) 6.824 8.244 ( 0.000 -6.809 0.000) 6.809 8.313 ( 0.000 0.921 0.000) 0.921 8.371 ( 0.000 -5.059 0.000) 5.059 8.400 ( 0.000 2.659 0.000) 2.659 8.454 ( 0.000 -2.449 0.000) 2.449 8.535 ( 0.000 6.363 0.000) 6.363 8.616 ( 0.000 -1.784 0.000) 1.784 8.877 ( 0.000 1.793 0.000) 1.793 8.921 ( 0.000 0.585 0.000) 0.585 8.927 ( 0.000 -0.140 0.000) 0.140 8.951 ( 0.000 -4.753 0.000) 4.753 9.183 ( 0.000 2.449 0.000) 2.449 9.256 ( 0.000 -5.139 0.000) 5.139 9.348 ( 0.000 8.012 0.000) 8.012 9.362 ( 0.000 -0.114 0.000) 0.114 9.388 ( 0.000 -2.206 0.000) 2.206 9.489 ( 0.000 -5.618 0.000) 5.618 9.501 ( 0.000 2.831 0.000) 2.831 9.529 ( 0.000 1.052 0.000) 1.052 9.598 ( 0.000 0.523 0.000) 0.523 9.617 ( 0.000 -0.877 0.000) 0.877 9.679 ( 0.000 0.996 0.000) 0.996 9.695 ( 0.000 -0.537 0.000) 0.537 9.951 ( 0.000 1.948 0.000) 1.948 10.011 ( 0.000 -3.862 0.000) 3.862 10.325 ( 0.000 13.153 0.000) 13.153 10.484 ( 0.000 -0.336 0.000) 0.336 10.484 ( 0.000 -0.276 0.000) 0.276 10.641 ( 0.000 -18.811 0.000) 18.811 10.951 ( 0.000 6.179 0.000) 6.179 11.064 ( 0.000 -4.861 0.000) 4.861 11.484 ( 0.000 16.691 0.000) 16.691 11.754 ( 0.000 -10.831 0.000) 10.831 12.338 ( 0.000 2.340 0.000) 2.340 12.388 ( 0.000 -2.515 0.000) 2.515 12.790 ( 0.000 3.268 0.000) 3.268 12.872 ( 0.000 -5.027 0.000) 5.027 13.154 ( 0.000 5.598 0.000) 5.598 13.219 ( 0.000 8.060 0.000) 8.060 13.257 ( 0.000 -4.969 0.000) 4.969 13.398 ( 0.000 -9.317 0.000) 9.317 13.518 ( 0.000 3.715 0.000) 3.715 13.579 ( 0.000 -2.455 0.000) 2.455 14.019 ( 0.000 7.102 0.000) 7.102 14.165 ( 0.000 -7.106 0.000) 7.106 14.399 ( 0.000 6.878 0.000) 6.878 14.539 ( 0.000 -7.257 0.000) 7.257 14.777 ( 0.000 5.248 0.000) 5.248 14.858 ( 0.000 -3.097 0.000) 3.097 15.103 ( 0.000 0.020 0.000) 0.020 15.103 ( 0.000 -0.057 0.000) 0.057 15.803 ( 0.000 0.878 0.000) 0.878 15.822 ( 0.000 -0.901 0.000) 0.901 16.045 ( 0.000 2.052 0.000) 2.052 16.060 ( 0.000 0.911 0.000) 0.911 16.116 ( 0.000 -0.675 0.000) 0.675 16.144 ( 0.000 -4.151 0.000) 4.151 16.404 ( 0.000 5.386 0.000) 5.386 16.486 ( 0.000 -2.950 0.000) 2.950 16.846 ( 0.000 1.010 0.000) 1.010 16.872 ( 0.000 -1.582 0.000) 1.582 16.937 ( 0.000 1.476 0.000) 1.476 16.960 ( 0.000 -0.875 0.000) 0.875 17.008 ( 0.000 0.003 0.000) 0.003 17.012 ( 0.000 -0.381 0.000) 0.381 24.322 ( 0.000 5.680 0.000) 5.680 24.451 ( 0.000 -6.780 0.000) 6.780 24.729 ( 0.000 0.570 0.000) 0.570 24.740 ( 0.000 -0.469 0.000) 0.469 25.087 ( 0.000 1.091 0.000) 1.091 25.109 ( 0.000 -1.014 0.000) 1.014 25.431 ( 0.000 5.496 0.000) 5.496 25.478 ( 0.000 3.181 0.000) 3.181 25.537 ( 0.000 -4.986 0.000) 4.986 25.569 ( 0.000 -6.329 0.000) 6.329 25.651 ( 0.000 1.585 0.000) 1.585 25.688 ( 0.000 -1.989 0.000) 1.989 25.811 ( 0.000 3.194 0.000) 3.194 25.864 ( 0.000 -2.162 0.000) 2.162 25.872 ( 0.000 7.191 0.000) 7.191 25.982 ( 0.000 -4.209 0.000) 4.209 27.626 ( 0.000 0.470 0.000) 0.470 27.635 ( 0.000 -0.393 0.000) 0.393 27.698 ( 0.000 0.871 0.000) 0.871 27.717 ( 0.000 -0.978 0.000) 0.978 28.270 ( 0.000 2.296 0.000) 2.296 28.325 ( 0.000 -3.123 0.000) 3.123 28.578 ( 0.000 2.731 0.000) 2.731 28.625 ( 0.000 -1.914 0.000) 1.914 28.858 ( 0.000 0.714 0.000) 0.714 28.873 ( 0.000 -0.698 0.000) 0.698 29.220 ( 0.000 0.023 0.000) 0.023 29.220 ( 0.000 -0.020 0.000) 0.020 30.019 ( 0.000 0.299 0.000) 0.299 30.026 ( 0.000 -0.301 0.000) 0.301 30.970 ( 0.000 0.037 0.000) 0.037 30.971 ( 0.000 -0.036 0.000) 0.036 ======================= Grid point 8 (6/40) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.712 ( 15.455 22.273 0.000) 27.110 1.102 ( 32.596 20.777 0.000) 38.655 1.193 ( 12.291 -25.546 0.000) 28.349 1.565 ( 21.722 -26.053 0.000) 33.920 1.692 ( 28.812 43.986 0.000) 52.583 2.183 ( 9.086 8.896 0.000) 12.715 2.367 ( 13.879 1.584 0.000) 13.969 2.390 ( 14.555 6.167 0.000) 15.808 2.607 ( 9.987 -15.602 0.000) 18.525 2.623 ( 8.937 21.286 0.000) 23.086 2.900 ( 21.408 -42.660 0.000) 47.730 2.951 ( -1.050 -10.510 0.000) 10.562 3.211 ( -1.117 1.476 0.000) 1.851 3.297 ( -4.363 -4.897 0.000) 6.558 3.642 ( 1.115 7.279 0.000) 7.364 3.759 ( -0.314 -3.706 0.000) 3.719 3.885 ( -5.534 2.798 0.000) 6.201 3.917 ( -7.677 0.813 0.000) 7.720 3.951 ( -6.333 -3.452 0.000) 7.213 4.009 ( -10.971 -6.463 0.000) 12.733 4.113 ( 1.101 4.458 0.000) 4.591 4.175 ( -0.246 1.717 0.000) 1.735 4.181 ( 3.404 4.271 0.000) 5.461 4.195 ( -0.787 2.274 0.000) 2.406 4.295 ( -2.701 3.517 0.000) 4.434 4.318 ( -2.691 3.154 0.000) 4.146 4.440 ( -6.914 -6.312 0.000) 9.362 4.441 ( -1.505 -7.520 0.000) 7.669 4.610 ( -1.110 6.217 0.000) 6.315 4.712 ( -7.348 8.315 0.000) 11.097 4.772 ( 1.354 17.697 0.000) 17.749 4.816 ( -3.257 -12.449 0.000) 12.868 4.873 ( -0.458 -4.941 0.000) 4.962 4.976 ( 1.075 5.059 0.000) 5.172 5.017 ( 2.158 -1.257 0.000) 2.497 5.062 ( -4.639 2.453 0.000) 5.248 5.093 ( 10.149 2.044 0.000) 10.353 5.164 ( 0.879 1.320 0.000) 1.586 5.203 ( -4.200 -2.804 0.000) 5.050 5.424 ( 4.136 -19.019 0.000) 19.464 5.509 ( 7.187 3.700 0.000) 8.083 5.587 ( 10.945 -2.668 0.000) 11.266 5.751 ( 7.544 8.982 0.000) 11.730 5.770 ( -5.977 16.085 0.000) 17.160 5.988 ( 3.077 -12.794 0.000) 13.158 6.044 ( -1.383 -11.274 0.000) 11.359 6.154 ( -1.894 3.355 0.000) 3.853 6.187 ( 4.890 1.536 0.000) 5.125 6.229 ( -1.917 -4.520 0.000) 4.909 6.239 ( 5.948 -3.192 0.000) 6.750 6.286 ( 1.337 5.798 0.000) 5.950 6.395 ( -8.418 8.191 0.000) 11.745 6.427 ( -2.721 -7.802 0.000) 8.263 6.477 ( 3.263 6.076 0.000) 6.897 6.535 ( 6.950 3.419 0.000) 7.746 6.562 ( -2.340 7.135 0.000) 7.509 6.675 ( -6.127 -7.165 0.000) 9.427 6.694 ( -1.319 -6.590 0.000) 6.720 6.858 ( -3.418 1.819 0.000) 3.872 6.996 ( 0.137 -10.685 0.000) 10.686 7.016 ( 3.064 6.575 0.000) 7.254 7.098 ( -2.617 0.578 0.000) 2.680 7.165 ( -6.425 3.927 0.000) 7.530 7.166 ( -1.883 5.389 0.000) 5.708 7.246 ( 1.764 0.487 0.000) 1.830 7.259 ( -8.941 -2.144 0.000) 9.195 7.351 ( 7.359 4.081 0.000) 8.415 7.503 ( 11.442 -8.907 0.000) 14.500 7.759 ( 5.472 7.438 0.000) 9.234 7.841 ( 5.295 -0.419 0.000) 5.311 8.000 ( -8.136 5.381 0.000) 9.754 8.021 ( -16.788 8.764 0.000) 18.938 8.252 ( -14.627 4.493 0.000) 15.301 8.284 ( -2.364 2.375 0.000) 3.351 8.296 ( -9.780 0.615 0.000) 9.799 8.371 ( -0.570 -5.691 0.000) 5.720 8.424 ( -8.450 11.912 0.000) 14.605 8.698 ( -9.019 -11.074 0.000) 14.282 8.728 ( -2.021 2.225 0.000) 3.006 8.779 ( -8.472 -2.639 0.000) 8.873 8.912 ( -0.033 1.686 0.000) 1.686 8.949 ( 1.691 -2.142 0.000) 2.729 8.966 ( 3.100 6.585 0.000) 7.278 9.121 ( 4.746 -8.965 0.000) 10.144 9.324 ( -2.131 7.815 0.000) 8.101 9.348 ( 0.771 2.861 0.000) 2.963 9.388 ( 2.203 -0.926 0.000) 2.390 9.457 ( -2.814 -5.225 0.000) 5.935 9.458 ( 4.922 1.619 0.000) 5.181 9.494 ( 1.181 -1.862 0.000) 2.205 9.620 ( -5.301 0.644 0.000) 5.340 9.630 ( -5.725 -0.357 0.000) 5.737 9.808 ( 5.024 7.340 0.000) 8.895 9.917 ( -2.933 2.210 0.000) 3.673 9.982 ( -2.442 -4.172 0.000) 4.834 10.003 ( 3.171 -12.805 0.000) 13.191 10.285 ( -3.653 13.327 0.000) 13.818 10.422 ( -6.548 0.376 0.000) 6.559 10.429 ( -6.596 -0.117 0.000) 6.597 10.602 ( -3.643 -18.852 0.000) 19.200 10.882 ( -7.967 5.214 0.000) 9.522 10.928 ( -6.581 0.163 0.000) 6.583 11.419 ( -6.058 16.852 0.000) 17.908 11.690 ( -5.955 -10.861 0.000) 12.387 12.454 ( 9.918 2.645 0.000) 10.264 12.510 ( 10.344 -2.773 0.000) 10.710 12.811 ( 8.766 8.931 0.000) 12.514 13.018 ( 7.948 -11.033 0.000) 13.598 13.216 ( -0.330 7.886 0.000) 7.893 13.390 ( -0.693 -9.075 0.000) 9.101 13.462 ( 15.897 2.265 0.000) 16.058 13.562 ( 15.815 -3.711 0.000) 16.244 13.639 ( 8.914 -1.088 0.000) 8.980 13.714 ( 12.407 -8.687 0.000) 15.146 13.963 ( -5.369 6.547 0.000) 8.467 14.098 ( -6.360 -6.551 0.000) 9.131 14.369 ( -2.808 6.847 0.000) 7.400 14.508 ( -2.966 -7.100 0.000) 7.695 14.726 ( -4.718 4.849 0.000) 6.765 14.802 ( -5.217 -2.960 0.000) 5.998 14.944 ( -2.277 18.800 0.000) 18.938 15.284 ( 6.639 -17.953 0.000) 19.141 15.813 ( 1.519 2.590 0.000) 3.003 15.853 ( 3.877 -1.735 0.000) 4.247 15.870 ( -9.859 4.116 0.000) 10.684 15.966 ( -7.599 -5.318 0.000) 9.275 16.233 ( 7.017 0.447 0.000) 7.031 16.240 ( 5.156 -0.124 0.000) 5.157 16.444 ( 3.427 4.755 0.000) 5.862 16.525 ( 3.500 -3.230 0.000) 4.763 16.779 ( -4.564 1.816 0.000) 4.912 16.827 ( -2.853 -3.124 0.000) 4.230 16.929 ( -1.231 2.145 0.000) 2.473 16.966 ( -3.938 0.067 0.000) 3.938 16.971 ( -3.747 -0.466 0.000) 3.776 16.982 ( -0.189 -3.852 0.000) 3.857 24.309 ( -8.609 18.101 0.000) 20.044 24.320 ( -0.248 5.799 0.000) 5.804 24.451 ( 0.004 -6.901 0.000) 6.901 24.587 ( -7.216 -10.570 0.000) 12.798 25.254 ( 8.769 7.934 0.000) 11.825 25.407 ( 4.723 -5.881 0.000) 7.543 25.446 ( 1.385 5.401 0.000) 5.576 25.551 ( 1.262 -5.036 0.000) 5.192 25.667 ( 1.421 1.814 0.000) 2.305 25.676 ( 8.086 2.572 0.000) 8.485 25.708 ( 1.838 -2.212 0.000) 2.876 25.825 ( 1.337 3.694 0.000) 3.928 25.828 ( 4.365 -3.211 0.000) 5.419 25.887 ( 2.176 -2.531 0.000) 3.338 25.947 ( 3.328 -2.663 0.000) 4.262 26.099 ( 17.506 -21.867 0.000) 28.011 27.525 ( -4.762 1.950 0.000) 5.146 27.572 ( -3.556 -2.666 0.000) 4.444 27.803 ( 7.420 2.946 0.000) 7.984 27.856 ( 8.772 -2.251 0.000) 9.056 27.858 ( -18.906 23.253 0.000) 29.969 28.145 ( -9.265 -10.122 0.000) 13.722 28.625 ( 1.637 13.562 0.000) 13.661 28.884 ( 2.337 0.739 0.000) 2.451 28.899 ( 2.387 -0.723 0.000) 2.494 28.949 ( 5.647 -20.687 0.000) 21.444 29.231 ( -0.164 1.360 0.000) 1.370 29.273 ( 3.208 -4.721 0.000) 5.708 30.016 ( -0.237 0.384 0.000) 0.451 30.024 ( -0.054 -0.385 0.000) 0.389 30.518 ( -22.313 20.979 0.000) 30.627 30.769 ( -18.133 -7.901 0.000) 19.780 ======================= Grid point 9 (7/40) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.158 ( 26.588 9.662 0.000) 28.290 1.426 ( 14.757 -17.583 0.000) 22.955 1.818 ( 33.693 11.682 0.000) 35.660 2.098 ( 26.693 -16.229 0.000) 31.240 2.305 ( 25.165 22.759 0.000) 33.930 2.599 ( 20.672 -2.238 0.000) 20.793 2.709 ( 15.741 4.021 0.000) 16.247 2.757 ( -9.695 7.035 0.000) 11.979 2.772 ( 23.290 18.799 0.000) 29.930 2.840 ( -1.403 2.444 0.000) 2.818 2.910 ( 20.957 -11.329 0.000) 23.823 3.166 ( -1.638 2.960 0.000) 3.383 3.268 ( -0.022 -2.863 0.000) 2.863 3.395 ( 21.625 -30.737 0.000) 37.582 3.632 ( -3.747 2.242 0.000) 4.367 3.689 ( -11.782 -0.852 0.000) 11.813 3.714 ( -9.046 1.819 0.000) 9.227 3.723 ( -5.096 -2.472 0.000) 5.664 3.745 ( -7.815 -4.004 0.000) 8.781 3.749 ( -9.366 -1.802 0.000) 9.538 4.132 ( -1.046 3.672 0.000) 3.818 4.150 ( -3.537 1.342 0.000) 3.783 4.175 ( -1.935 0.913 0.000) 2.140 4.179 ( -7.907 1.052 0.000) 7.976 4.244 ( -2.962 3.545 0.000) 4.620 4.278 ( -2.394 -0.382 0.000) 2.424 4.305 ( -2.101 -1.012 0.000) 2.332 4.379 ( -2.235 -7.127 0.000) 7.470 4.609 ( 0.652 12.005 0.000) 12.023 4.668 ( 5.663 -3.604 0.000) 6.713 4.755 ( -3.463 9.081 0.000) 9.718 4.777 ( -0.521 -12.842 0.000) 12.853 4.888 ( 3.356 -10.689 0.000) 11.203 4.958 ( -3.654 5.951 0.000) 6.983 4.958 ( -0.411 -13.015 0.000) 13.021 5.083 ( -4.273 -6.079 0.000) 7.431 5.172 ( 9.308 16.715 0.000) 19.132 5.250 ( 4.691 8.250 0.000) 9.490 5.354 ( 10.373 -1.139 0.000) 10.435 5.466 ( -2.464 -11.214 0.000) 11.482 5.654 ( 6.699 8.226 0.000) 10.609 5.698 ( 0.113 17.711 0.000) 17.712 5.776 ( 5.289 0.122 0.000) 5.290 5.924 ( 8.050 -0.171 0.000) 8.051 5.957 ( -5.153 -7.035 0.000) 8.721 6.020 ( -0.748 -5.008 0.000) 5.063 6.141 ( 0.817 -0.454 0.000) 0.935 6.202 ( -4.031 2.628 0.000) 4.812 6.217 ( -0.553 -4.776 0.000) 4.808 6.321 ( -11.637 -6.923 0.000) 13.540 6.324 ( 0.707 0.855 0.000) 1.110 6.357 ( -2.611 -1.983 0.000) 3.279 6.380 ( 10.179 0.426 0.000) 10.188 6.426 ( 9.114 -3.093 0.000) 9.625 6.506 ( -2.560 7.989 0.000) 8.389 6.637 ( -5.006 -5.640 0.000) 7.541 6.674 ( 4.226 11.069 0.000) 11.849 6.747 ( 5.638 9.950 0.000) 11.437 6.835 ( 3.256 -5.038 0.000) 5.999 6.926 ( -7.180 5.982 0.000) 9.346 6.984 ( -7.581 1.183 0.000) 7.673 7.012 ( 2.282 -16.154 0.000) 16.315 7.128 ( 0.139 1.036 0.000) 1.045 7.143 ( 1.564 7.311 0.000) 7.476 7.182 ( 0.151 -3.671 0.000) 3.674 7.269 ( 2.624 -4.852 0.000) 5.516 7.572 ( 11.391 8.602 0.000) 14.274 7.679 ( -13.374 15.988 0.000) 20.844 7.752 ( 10.237 -8.884 0.000) 13.555 7.876 ( -4.550 0.176 0.000) 4.554 7.879 ( 5.770 7.433 0.000) 9.410 7.956 ( 4.900 -0.139 0.000) 4.902 7.986 ( -13.251 -2.684 0.000) 13.520 8.033 ( -12.446 -6.773 0.000) 14.169 8.230 ( -2.251 3.279 0.000) 3.977 8.296 ( -6.143 5.039 0.000) 7.946 8.336 ( -2.462 -5.881 0.000) 6.375 8.432 ( -9.358 -7.457 0.000) 11.966 8.565 ( -11.965 2.602 0.000) 12.245 8.629 ( -7.113 -3.452 0.000) 7.907 8.938 ( 3.060 2.587 0.000) 4.007 9.006 ( 3.966 -4.590 0.000) 6.066 9.157 ( 7.758 4.962 0.000) 9.209 9.243 ( 3.547 -3.349 0.000) 4.878 9.282 ( -0.980 7.254 0.000) 7.320 9.355 ( -0.833 1.507 0.000) 1.722 9.395 ( -2.241 -4.087 0.000) 4.662 9.407 ( -2.832 -3.420 0.000) 4.440 9.481 ( -7.051 0.656 0.000) 7.081 9.498 ( -5.762 -0.988 0.000) 5.846 9.545 ( 4.468 4.294 0.000) 6.197 9.596 ( 6.182 -0.851 0.000) 6.240 9.780 ( -4.807 7.930 0.000) 9.273 9.850 ( -3.030 2.698 0.000) 4.057 9.923 ( -3.060 -4.440 0.000) 5.392 9.985 ( -2.093 -11.760 0.000) 11.945 10.182 ( -5.835 13.360 0.000) 14.579 10.186 ( -14.730 -0.004 0.000) 14.730 10.198 ( -12.378 -1.410 0.000) 12.458 10.495 ( -6.446 -18.685 0.000) 19.766 10.745 ( -0.806 10.778 0.000) 10.808 10.919 ( 3.902 -6.793 0.000) 7.834 11.245 ( -10.102 17.119 0.000) 19.877 11.518 ( -10.107 -10.909 0.000) 14.871 12.719 ( 14.805 3.048 0.000) 15.116 12.784 ( 15.257 -3.223 0.000) 15.593 13.044 ( 11.444 8.683 0.000) 14.365 13.204 ( -0.861 7.517 0.000) 7.566 13.244 ( 11.895 -11.099 0.000) 16.269 13.370 ( -1.278 -8.597 0.000) 8.691 13.716 ( 8.175 6.904 0.000) 10.700 13.796 ( -10.485 5.318 0.000) 11.757 13.849 ( 12.233 4.564 0.000) 13.056 13.851 ( 12.349 -5.901 0.000) 13.687 13.907 ( -11.564 -5.440 0.000) 12.780 13.962 ( 11.315 -7.795 0.000) 13.740 14.281 ( -5.697 6.909 0.000) 8.955 14.414 ( -6.041 -6.016 0.000) 8.525 14.590 ( -7.999 2.860 0.000) 8.495 14.646 ( -9.492 -2.600 0.000) 9.841 14.995 ( 6.139 20.587 0.000) 21.482 15.406 ( 5.095 -20.884 0.000) 21.497 15.645 ( -11.640 7.028 0.000) 13.597 15.798 ( -8.169 -8.017 0.000) 11.446 15.908 ( 7.751 6.244 0.000) 9.954 15.992 ( 9.388 -2.897 0.000) 9.825 16.321 ( 2.365 3.709 0.000) 4.399 16.375 ( 5.893 -1.822 0.000) 6.169 16.524 ( 3.683 3.886 0.000) 5.354 16.606 ( 3.103 -3.912 0.000) 4.993 16.695 ( -3.355 2.728 0.000) 4.324 16.754 ( -4.139 -2.909 0.000) 5.059 16.855 ( -5.748 0.823 0.000) 5.807 16.874 ( -4.649 -1.022 0.000) 4.760 16.891 ( -2.219 2.470 0.000) 3.321 16.955 ( -2.029 -4.113 0.000) 4.587 24.253 ( 0.410 11.984 0.000) 11.991 24.312 ( -0.511 6.220 0.000) 6.240 24.452 ( 0.117 -7.334 0.000) 7.335 24.495 ( -2.279 -11.639 0.000) 11.860 25.412 ( 6.543 3.845 0.000) 7.589 25.485 ( 2.219 4.874 0.000) 5.356 25.493 ( 3.794 -4.478 0.000) 5.869 25.583 ( 1.528 -5.020 0.000) 5.247 25.703 ( 1.798 2.532 0.000) 3.105 25.756 ( 2.527 -2.593 0.000) 3.621 25.769 ( 0.954 6.230 0.000) 6.303 25.864 ( 2.313 5.206 0.000) 5.697 25.867 ( 0.664 -0.687 0.000) 0.956 25.956 ( 4.459 -3.938 0.000) 5.949 25.969 ( 0.200 8.549 0.000) 8.551 26.289 ( 0.657 -22.142 0.000) 22.152 27.449 ( -2.343 3.692 0.000) 4.373 27.535 ( 0.402 -4.851 0.000) 4.868 27.593 ( -8.074 20.276 0.000) 21.824 27.943 ( -9.765 -16.855 0.000) 19.479 27.972 ( 8.745 5.190 0.000) 10.169 28.065 ( 11.309 -3.975 0.000) 11.987 28.578 ( -6.234 17.893 0.000) 18.948 28.908 ( -8.097 -15.770 0.000) 17.728 28.950 ( 3.784 0.819 0.000) 3.871 28.966 ( 3.883 -0.796 0.000) 3.964 29.190 ( -3.377 2.029 0.000) 3.940 29.235 ( -5.402 -3.007 0.000) 6.183 30.015 ( 0.370 0.745 0.000) 0.832 30.031 ( 0.959 -0.738 0.000) 1.211 30.217 ( -8.160 11.973 0.000) 14.489 30.414 ( -13.991 -7.733 0.000) 15.986 ======================= Grid point 10 (8/40) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 29.152 5.742 0.000) 29.712 1.886 ( 27.527 -7.138 0.000) 28.438 2.311 ( -15.886 5.012 0.000) 16.658 2.395 ( -10.462 -1.805 0.000) 10.617 2.518 ( 13.892 8.641 0.000) 16.360 2.678 ( 9.651 15.062 0.000) 17.889 2.771 ( 10.028 -15.264 0.000) 18.264 2.875 ( 5.270 -1.712 0.000) 5.541 2.989 ( 6.820 -1.289 0.000) 6.941 3.079 ( -11.273 9.116 0.000) 14.498 3.121 ( 8.555 -13.885 0.000) 16.309 3.251 ( -1.727 -3.237 0.000) 3.669 3.373 ( 6.102 4.205 0.000) 7.411 3.417 ( -3.869 0.040 0.000) 3.869 3.480 ( -6.733 3.431 0.000) 7.557 3.563 ( -7.853 -1.987 0.000) 8.100 3.624 ( 18.128 16.292 0.000) 24.373 3.642 ( 2.949 1.782 0.000) 3.445 3.750 ( 9.212 -7.797 0.000) 12.068 3.881 ( -9.391 -0.753 0.000) 9.422 3.990 ( -11.239 -2.194 0.000) 11.452 4.020 ( -12.072 7.956 0.000) 14.458 4.039 ( 6.928 -12.522 0.000) 14.311 4.106 ( -1.293 0.005 0.000) 1.293 4.212 ( 1.533 4.272 0.000) 4.538 4.233 ( 0.200 5.152 0.000) 5.156 4.339 ( 2.864 -0.612 0.000) 2.929 4.354 ( -0.074 -9.412 0.000) 9.412 4.650 ( 0.733 5.991 0.000) 6.035 4.717 ( 2.021 0.072 0.000) 2.023 4.749 ( -2.788 -9.933 0.000) 10.317 4.767 ( -1.685 -7.832 0.000) 8.011 4.902 ( 0.062 4.548 0.000) 4.549 4.917 ( 0.410 -3.106 0.000) 3.133 5.032 ( 1.110 -7.949 0.000) 8.026 5.044 ( 3.792 -15.088 0.000) 15.557 5.297 ( -0.247 8.619 0.000) 8.622 5.313 ( 0.986 4.657 0.000) 4.760 5.370 ( 0.061 -0.050 0.000) 0.079 5.467 ( -1.866 -8.907 0.000) 9.101 5.748 ( 2.879 15.150 0.000) 15.421 5.751 ( 1.903 13.589 0.000) 13.721 5.819 ( 2.634 5.920 0.000) 6.479 5.864 ( -3.385 0.217 0.000) 3.392 6.026 ( 2.809 -0.226 0.000) 2.818 6.111 ( 6.938 -4.463 0.000) 8.249 6.127 ( -0.177 -0.292 0.000) 0.341 6.145 ( -2.416 1.222 0.000) 2.707 6.177 ( -6.564 2.583 0.000) 7.054 6.228 ( 2.942 -7.257 0.000) 7.831 6.260 ( -0.994 -6.713 0.000) 6.786 6.281 ( -6.424 -3.742 0.000) 7.434 6.508 ( 2.097 4.707 0.000) 5.152 6.548 ( 0.507 3.166 0.000) 3.206 6.564 ( 4.612 0.757 0.000) 4.674 6.578 ( 0.482 -1.882 0.000) 1.943 6.722 ( 3.086 5.710 0.000) 6.491 6.767 ( 0.143 1.773 0.000) 1.779 6.805 ( -4.800 3.338 0.000) 5.846 6.835 ( -5.510 -0.281 0.000) 5.517 6.998 ( 8.342 -0.489 0.000) 8.357 7.078 ( 3.256 -5.930 0.000) 6.765 7.120 ( -2.151 0.760 0.000) 2.281 7.145 ( -3.748 -1.743 0.000) 4.133 7.274 ( 9.126 2.929 0.000) 9.585 7.392 ( 9.463 -7.651 0.000) 12.169 7.455 ( -8.697 8.499 0.000) 12.160 7.658 ( -15.061 -10.821 0.000) 18.545 7.767 ( 6.119 5.901 0.000) 8.501 7.829 ( -1.135 1.752 0.000) 2.088 7.845 ( 0.343 -0.365 0.000) 0.501 7.872 ( -4.078 -1.831 0.000) 4.470 8.025 ( 6.970 4.841 0.000) 8.486 8.056 ( 5.586 0.803 0.000) 5.644 8.162 ( -6.459 5.062 0.000) 8.207 8.225 ( -10.337 3.663 0.000) 10.967 8.240 ( 4.080 -1.064 0.000) 4.216 8.318 ( 2.565 -6.042 0.000) 6.564 8.364 ( -7.320 -1.642 0.000) 7.502 8.456 ( -8.784 -6.490 0.000) 10.922 9.054 ( 7.978 2.338 0.000) 8.313 9.110 ( 5.898 -3.531 0.000) 6.874 9.237 ( -5.095 1.253 0.000) 5.247 9.250 ( -4.511 2.621 0.000) 5.217 9.265 ( -2.466 -0.650 0.000) 2.551 9.289 ( -0.073 5.086 0.000) 5.086 9.309 ( -0.973 -1.732 0.000) 1.986 9.350 ( -3.717 -0.818 0.000) 3.806 9.417 ( 3.738 0.343 0.000) 3.754 9.457 ( 4.258 -3.021 0.000) 5.220 9.552 ( -6.022 2.118 0.000) 6.384 9.624 ( -6.432 -3.827 0.000) 7.484 9.739 ( 2.241 7.722 0.000) 8.040 9.796 ( -2.280 2.783 0.000) 3.598 9.859 ( -2.692 -2.900 0.000) 3.957 9.865 ( -5.164 -2.841 0.000) 5.894 9.982 ( -1.273 5.181 0.000) 5.335 10.056 ( -5.798 11.492 0.000) 12.872 10.163 ( 7.165 -13.237 0.000) 15.052 10.338 ( -8.371 -17.353 0.000) 19.267 10.824 ( 7.331 14.367 0.000) 16.129 11.020 ( -10.755 16.666 0.000) 19.835 11.064 ( 9.384 -9.936 0.000) 13.667 11.288 ( -11.415 -10.794 0.000) 15.710 13.021 ( 11.912 4.689 0.000) 12.802 13.111 ( 14.674 -4.103 0.000) 15.237 13.168 ( -3.223 7.019 0.000) 7.724 13.266 ( 10.946 6.936 0.000) 12.959 13.319 ( -4.712 -7.618 0.000) 8.958 13.446 ( 7.499 -11.398 0.000) 13.644 13.536 ( -13.796 4.632 0.000) 14.553 13.643 ( -12.361 -5.997 0.000) 13.739 13.900 ( 10.528 10.846 0.000) 15.116 14.070 ( 9.788 -2.524 0.000) 10.108 14.123 ( -9.608 8.383 0.000) 12.751 14.137 ( 13.747 -2.228 0.000) 13.926 14.194 ( 10.729 -5.687 0.000) 12.143 14.260 ( -8.421 -3.614 0.000) 9.163 14.404 ( -10.002 -2.421 0.000) 10.291 14.416 ( -11.944 -2.006 0.000) 12.112 15.166 ( 9.815 17.736 0.000) 20.271 15.395 ( -11.827 12.083 0.000) 16.908 15.509 ( 5.254 -16.517 0.000) 17.332 15.637 ( -7.023 -11.766 0.000) 13.702 16.111 ( 10.584 7.265 0.000) 12.837 16.230 ( 12.445 -4.833 0.000) 13.351 16.295 ( -5.621 7.262 0.000) 9.183 16.434 ( -3.530 -6.875 0.000) 7.728 16.584 ( 2.070 1.765 0.000) 2.720 16.601 ( -0.455 0.736 0.000) 0.865 16.633 ( -2.659 1.786 0.000) 3.203 16.662 ( -4.313 -0.873 0.000) 4.401 16.803 ( 0.696 0.885 0.000) 1.126 16.835 ( 1.884 -2.020 0.000) 2.762 16.841 ( -2.405 2.155 0.000) 3.229 16.900 ( -3.223 -3.492 0.000) 4.752 24.275 ( 1.256 8.823 0.000) 8.912 24.298 ( -0.878 7.124 0.000) 7.178 24.456 ( 0.337 -8.245 0.000) 8.252 24.467 ( -0.765 -9.791 0.000) 9.821 25.515 ( 2.779 1.399 0.000) 3.111 25.526 ( 1.219 3.176 0.000) 3.402 25.563 ( 2.773 -3.636 0.000) 4.573 25.599 ( -0.410 -4.397 0.000) 4.416 25.737 ( 1.429 3.957 0.000) 4.207 25.762 ( -0.975 5.642 0.000) 5.726 25.810 ( 2.516 -3.088 0.000) 3.983 25.855 ( -1.592 -3.559 0.000) 3.899 25.914 ( 2.230 8.246 0.000) 8.542 25.954 ( -1.540 11.891 0.000) 11.990 26.072 ( 6.485 -7.342 0.000) 9.796 26.213 ( -6.296 -13.487 0.000) 14.884 27.431 ( 0.692 7.177 0.000) 7.210 27.477 ( -3.645 12.934 0.000) 13.437 27.595 ( 5.303 -9.192 0.000) 10.612 27.747 ( -8.728 -14.625 0.000) 17.032 28.170 ( 10.197 9.252 0.000) 13.769 28.331 ( 14.093 -6.761 0.000) 15.631 28.392 ( -10.550 14.615 0.000) 18.025 28.645 ( -15.246 -11.035 0.000) 18.821 29.033 ( 3.961 0.974 0.000) 4.079 29.052 ( 4.081 -0.877 0.000) 4.174 29.112 ( -3.758 1.328 0.000) 3.985 29.135 ( -4.025 -0.911 0.000) 4.127 30.039 ( 1.988 1.806 0.000) 2.686 30.076 ( 3.598 -1.739 0.000) 3.996 30.101 ( -3.943 4.700 0.000) 6.134 30.191 ( -7.720 -4.086 0.000) 8.735 ======================= Grid point 21 (9/40) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.642 ( 0.000 0.000 31.938) 31.938 0.797 ( 0.000 0.000 38.654) 38.654 1.393 ( 0.000 0.000 59.314) 59.314 1.469 ( 0.000 0.000 21.000) 21.000 2.050 ( 0.000 0.000 -1.136) 1.136 2.132 ( 0.000 0.000 29.409) 29.409 2.216 ( 0.000 0.000 12.309) 12.309 2.253 ( 0.000 0.000 6.985) 6.985 2.348 ( 0.000 0.000 9.516) 9.516 2.684 ( 0.000 0.000 10.947) 10.947 3.200 ( 0.000 0.000 3.165) 3.165 3.291 ( 0.000 0.000 13.613) 13.613 3.463 ( 0.000 0.000 4.963) 4.963 3.560 ( 0.000 0.000 2.572) 2.572 3.626 ( 0.000 0.000 -14.171) 14.171 3.665 ( 0.000 0.000 8.883) 8.883 3.789 ( 0.000 0.000 -5.632) 5.632 3.830 ( 0.000 0.000 5.101) 5.101 3.916 ( 0.000 0.000 0.358) 0.358 4.017 ( 0.000 0.000 -4.725) 4.725 4.089 ( 0.000 0.000 -6.206) 6.206 4.128 ( 0.000 0.000 3.793) 3.793 4.137 ( 0.000 0.000 1.816) 1.816 4.177 ( 0.000 0.000 -3.813) 3.813 4.430 ( 0.000 0.000 -3.831) 3.831 4.445 ( 0.000 0.000 7.136) 7.136 4.453 ( 0.000 0.000 -7.429) 7.429 4.499 ( 0.000 0.000 8.710) 8.710 4.619 ( 0.000 0.000 20.040) 20.040 4.705 ( 0.000 0.000 -0.977) 0.977 4.777 ( 0.000 0.000 6.068) 6.068 4.945 ( 0.000 0.000 3.245) 3.245 5.004 ( 0.000 0.000 5.493) 5.493 5.013 ( 0.000 0.000 2.342) 2.342 5.016 ( 0.000 0.000 5.807) 5.807 5.115 ( 0.000 0.000 -5.076) 5.076 5.240 ( 0.000 0.000 -9.556) 9.556 5.299 ( 0.000 0.000 0.698) 0.698 5.312 ( 0.000 0.000 8.518) 8.518 5.420 ( 0.000 0.000 5.125) 5.125 5.448 ( 0.000 0.000 16.692) 16.692 5.498 ( 0.000 0.000 0.988) 0.988 5.524 ( 0.000 0.000 2.702) 2.702 5.762 ( 0.000 0.000 7.427) 7.427 5.974 ( 0.000 0.000 -8.127) 8.127 6.008 ( 0.000 0.000 -11.194) 11.194 6.019 ( 0.000 0.000 -12.024) 12.024 6.114 ( 0.000 0.000 -11.676) 11.676 6.157 ( 0.000 0.000 2.298) 2.298 6.161 ( 0.000 0.000 -5.960) 5.960 6.180 ( 0.000 0.000 0.782) 0.782 6.258 ( 0.000 0.000 1.023) 1.023 6.369 ( 0.000 0.000 -4.041) 4.041 6.387 ( 0.000 0.000 -2.206) 2.206 6.555 ( 0.000 0.000 -1.808) 1.808 6.641 ( 0.000 0.000 6.979) 6.979 6.806 ( 0.000 0.000 -6.343) 6.343 6.823 ( 0.000 0.000 5.027) 5.027 6.936 ( 0.000 0.000 -0.250) 0.250 6.985 ( 0.000 0.000 0.837) 0.837 7.019 ( 0.000 0.000 -0.680) 0.680 7.121 ( 0.000 0.000 -6.070) 6.070 7.159 ( 0.000 0.000 10.665) 10.665 7.165 ( 0.000 0.000 9.143) 9.143 7.236 ( 0.000 0.000 -1.623) 1.623 7.295 ( 0.000 0.000 6.325) 6.325 7.455 ( 0.000 0.000 1.833) 1.833 7.567 ( 0.000 0.000 -3.904) 3.904 7.574 ( 0.000 0.000 -3.159) 3.159 7.584 ( 0.000 0.000 8.246) 8.246 7.811 ( 0.000 0.000 3.694) 3.694 8.060 ( 0.000 0.000 -1.328) 1.328 8.212 ( 0.000 0.000 -5.477) 5.477 8.260 ( 0.000 0.000 -18.908) 18.908 8.298 ( 0.000 0.000 -2.536) 2.536 8.446 ( 0.000 0.000 -0.797) 0.797 8.459 ( 0.000 0.000 6.715) 6.715 8.669 ( 0.000 0.000 -5.583) 5.583 8.709 ( 0.000 0.000 5.511) 5.511 8.722 ( 0.000 0.000 -7.574) 7.574 9.057 ( 0.000 0.000 5.265) 5.265 9.066 ( 0.000 0.000 1.188) 1.188 9.079 ( 0.000 0.000 5.751) 5.751 9.195 ( 0.000 0.000 3.043) 3.043 9.285 ( 0.000 0.000 -3.104) 3.104 9.439 ( 0.000 0.000 -1.225) 1.225 9.477 ( 0.000 0.000 -4.304) 4.304 9.496 ( 0.000 0.000 5.594) 5.594 9.539 ( 0.000 0.000 3.754) 3.754 9.657 ( 0.000 0.000 3.694) 3.694 9.662 ( 0.000 0.000 -0.460) 0.460 9.688 ( 0.000 0.000 -1.112) 1.112 9.842 ( 0.000 0.000 20.654) 20.654 9.941 ( 0.000 0.000 0.752) 0.752 10.058 ( 0.000 0.000 0.049) 0.049 10.183 ( 0.000 0.000 0.275) 0.275 10.297 ( 0.000 0.000 7.539) 7.539 10.512 ( 0.000 0.000 2.406) 2.406 10.516 ( 0.000 0.000 1.988) 1.988 10.892 ( 0.000 0.000 -1.509) 1.509 10.934 ( 0.000 0.000 4.166) 4.166 11.206 ( 0.000 0.000 -3.242) 3.242 11.323 ( 0.000 0.000 -13.762) 13.762 11.901 ( 0.000 0.000 -9.133) 9.133 12.193 ( 0.000 0.000 -8.873) 8.873 12.484 ( 0.000 0.000 5.260) 5.260 12.649 ( 0.000 0.000 2.073) 2.073 12.959 ( 0.000 0.000 1.677) 1.677 13.059 ( 0.000 0.000 -1.090) 1.090 13.221 ( 0.000 0.000 -14.655) 14.655 13.297 ( 0.000 0.000 11.410) 11.410 13.309 ( 0.000 0.000 -0.801) 0.801 13.376 ( 0.000 0.000 -19.226) 19.226 13.642 ( 0.000 0.000 1.140) 1.140 13.844 ( 0.000 0.000 -8.991) 8.991 14.172 ( 0.000 0.000 -7.444) 7.444 14.264 ( 0.000 0.000 -5.437) 5.437 14.464 ( 0.000 0.000 -18.258) 18.258 14.593 ( 0.000 0.000 -4.075) 4.075 14.663 ( 0.000 0.000 3.536) 3.536 14.711 ( 0.000 0.000 -17.390) 17.390 15.052 ( 0.000 0.000 -3.696) 3.696 15.716 ( 0.000 0.000 -6.714) 6.714 15.796 ( 0.000 0.000 -3.554) 3.554 16.000 ( 0.000 0.000 -3.862) 3.862 16.028 ( 0.000 0.000 -2.204) 2.204 16.153 ( 0.000 0.000 5.154) 5.154 16.300 ( 0.000 0.000 -0.157) 0.157 16.532 ( 0.000 0.000 3.180) 3.180 16.715 ( 0.000 0.000 -1.886) 1.886 17.013 ( 0.000 0.000 -0.301) 0.301 17.041 ( 0.000 0.000 16.626) 16.626 17.112 ( 0.000 0.000 17.103) 17.103 17.128 ( 0.000 0.000 14.153) 14.153 17.261 ( 0.000 0.000 2.634) 2.634 17.261 ( 0.000 0.000 22.376) 22.376 24.039 ( 0.000 0.000 0.864) 0.864 24.269 ( 0.000 0.000 0.333) 0.333 24.524 ( 0.000 0.000 -0.211) 0.211 24.684 ( 0.000 0.000 -5.452) 5.452 25.100 ( 0.000 0.000 2.465) 2.465 25.131 ( 0.000 0.000 1.487) 1.487 25.388 ( 0.000 0.000 0.078) 0.078 25.499 ( 0.000 0.000 1.282) 1.282 25.593 ( 0.000 0.000 -0.325) 0.325 25.604 ( 0.000 0.000 -5.299) 5.299 25.647 ( 0.000 0.000 0.933) 0.933 25.706 ( 0.000 0.000 0.453) 0.453 25.793 ( 0.000 0.000 0.579) 0.579 25.799 ( 0.000 0.000 3.517) 3.517 25.981 ( 0.000 0.000 -3.748) 3.748 26.034 ( 0.000 0.000 -1.283) 1.283 27.274 ( 0.000 0.000 2.384) 2.384 27.506 ( 0.000 0.000 -10.489) 10.489 27.604 ( 0.000 0.000 -1.677) 1.677 27.647 ( 0.000 0.000 -3.905) 3.905 27.729 ( 0.000 0.000 -5.502) 5.502 28.048 ( 0.000 0.000 -8.341) 8.341 28.513 ( 0.000 0.000 -2.983) 2.983 28.555 ( 0.000 0.000 -8.460) 8.460 29.068 ( 0.000 0.000 0.526) 0.526 29.167 ( 0.000 0.000 -4.928) 4.928 29.514 ( 0.000 0.000 33.585) 33.585 29.580 ( 0.000 0.000 -20.845) 20.845 29.682 ( 0.000 0.000 -25.714) 25.714 30.438 ( 0.000 0.000 18.644) 18.644 31.029 ( 0.000 0.000 5.480) 5.480 31.141 ( 0.000 0.000 11.324) 11.324 ======================= Grid point 22 (10/40) ======================= q-point: ( 0.14 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 14.649 0.000 25.267) 29.207 1.007 ( 25.075 0.000 25.530) 35.784 1.703 ( 23.369 0.000 21.510) 31.761 1.914 ( -15.646 0.000 11.791) 19.591 1.926 ( 36.075 0.000 33.677) 49.351 2.227 ( 14.982 0.000 -1.918) 15.105 2.327 ( 10.377 0.000 27.590) 29.477 2.393 ( 12.931 0.000 7.246) 14.823 2.489 ( 11.792 0.000 8.019) 14.260 2.817 ( 9.664 0.000 5.921) 11.334 3.087 ( -7.979 0.000 6.531) 10.311 3.341 ( 0.953 0.000 7.351) 7.412 3.429 ( -4.707 0.000 7.619) 8.955 3.562 ( 1.208 0.000 0.225) 1.229 3.600 ( -2.170 0.000 -12.170) 12.362 3.677 ( 0.415 0.000 3.370) 3.395 3.762 ( -4.306 0.000 2.787) 5.129 3.833 ( -4.021 0.000 0.883) 4.117 3.893 ( 4.832 0.000 -9.012) 10.226 4.021 ( -3.987 0.000 2.660) 4.793 4.046 ( -9.874 0.000 1.625) 10.007 4.130 ( 6.896 0.000 1.415) 7.040 4.188 ( 1.625 0.000 -1.331) 2.101 4.260 ( 5.605 0.000 -3.052) 6.382 4.364 ( -0.513 0.000 -5.765) 5.788 4.417 ( 0.337 0.000 -0.039) 0.339 4.481 ( 0.869 0.000 -5.818) 5.883 4.498 ( 3.156 0.000 17.498) 17.781 4.524 ( -6.470 0.000 6.713) 9.323 4.659 ( -6.070 0.000 18.166) 19.153 4.756 ( -10.095 0.000 5.978) 11.733 4.881 ( -1.739 0.000 -2.103) 2.729 4.958 ( 4.461 0.000 2.425) 5.077 5.012 ( 0.356 0.000 4.643) 4.657 5.077 ( 4.510 0.000 4.353) 6.268 5.114 ( 1.055 0.000 7.045) 7.124 5.192 ( -1.584 0.000 -3.083) 3.466 5.309 ( -0.562 0.000 9.137) 9.154 5.397 ( 1.157 0.000 2.872) 3.097 5.437 ( -1.111 0.000 15.987) 16.025 5.491 ( 6.454 0.000 0.379) 6.465 5.568 ( 11.117 0.000 -1.263) 11.189 5.631 ( 4.459 0.000 -0.878) 4.545 5.760 ( 0.391 0.000 7.357) 7.367 5.962 ( -1.628 0.000 -10.486) 10.612 6.042 ( 2.312 0.000 -11.406) 11.638 6.079 ( 5.607 0.000 -9.244) 10.812 6.081 ( -4.650 0.000 -1.738) 4.964 6.156 ( 1.791 0.000 -5.718) 5.992 6.269 ( 1.550 0.000 -0.030) 1.550 6.270 ( 6.897 0.000 -8.964) 11.310 6.281 ( 3.325 0.000 -0.496) 3.362 6.326 ( 0.341 0.000 -1.020) 1.076 6.401 ( 2.458 0.000 -3.248) 4.073 6.509 ( -2.647 0.000 -1.732) 3.163 6.602 ( -4.735 0.000 2.640) 5.421 6.794 ( -4.271 0.000 5.333) 6.832 6.838 ( 0.766 0.000 3.669) 3.749 6.848 ( -4.761 0.000 2.670) 5.458 6.888 ( -2.697 0.000 -2.101) 3.419 7.002 ( -4.952 0.000 -4.168) 6.472 7.112 ( 2.012 0.000 -2.856) 3.493 7.139 ( -2.057 0.000 8.991) 9.223 7.223 ( 2.683 0.000 4.465) 5.209 7.265 ( -1.427 0.000 5.880) 6.051 7.288 ( 2.838 0.000 -1.019) 3.015 7.360 ( -4.579 0.000 6.978) 8.347 7.540 ( 7.212 0.000 -1.792) 7.431 7.620 ( 3.929 0.000 -2.211) 4.508 7.838 ( 6.905 0.000 1.384) 7.042 7.841 ( 2.457 0.000 2.402) 3.436 8.023 ( -2.892 0.000 5.519) 6.230 8.171 ( -3.236 0.000 -5.033) 5.984 8.197 ( -5.402 0.000 -7.462) 9.212 8.278 ( -4.831 0.000 1.075) 4.949 8.389 ( -2.894 0.000 6.379) 7.004 8.413 ( -3.105 0.000 -15.287) 15.599 8.572 ( -11.948 0.000 5.071) 12.980 8.804 ( 12.614 0.000 -2.978) 12.961 8.849 ( -6.946 0.000 8.657) 11.100 8.851 ( 8.601 0.000 -6.091) 10.539 9.023 ( -13.919 0.000 9.348) 16.767 9.062 ( 0.188 0.000 5.262) 5.265 9.225 ( -0.715 0.000 0.300) 0.776 9.266 ( 4.722 0.000 1.956) 5.110 9.298 ( 1.215 0.000 -2.393) 2.684 9.404 ( -3.293 0.000 -1.932) 3.818 9.479 ( -14.642 0.000 2.397) 14.837 9.541 ( -0.401 0.000 2.991) 3.018 9.611 ( -4.570 0.000 -0.077) 4.571 9.635 ( 0.153 0.000 6.169) 6.171 9.735 ( 4.588 0.000 0.319) 4.599 9.808 ( -4.147 0.000 13.368) 13.996 9.916 ( -2.936 0.000 1.668) 3.377 9.988 ( -2.653 0.000 -2.553) 3.682 10.135 ( -4.440 0.000 -0.131) 4.442 10.258 ( -3.930 0.000 6.071) 7.232 10.425 ( -7.666 0.000 1.532) 7.818 10.464 ( -5.970 0.000 2.889) 6.632 10.729 ( -9.828 0.000 -4.514) 10.815 10.934 ( 0.894 0.000 3.132) 3.257 11.107 ( -13.791 0.000 7.468) 15.683 11.134 ( -6.849 0.000 -2.907) 7.441 11.779 ( -7.479 0.000 -2.675) 7.943 12.315 ( 10.853 0.000 -8.472) 13.768 12.482 ( 10.211 0.000 -3.756) 10.880 12.727 ( 7.074 0.000 1.216) 7.177 13.095 ( 5.798 0.000 -4.030) 7.061 13.222 ( -0.323 0.000 1.568) 1.601 13.293 ( 9.575 0.000 -10.716) 14.371 13.441 ( 9.350 0.000 -17.688) 20.007 13.442 ( 11.321 0.000 -3.619) 11.886 13.476 ( 4.466 0.000 -4.619) 6.425 13.793 ( -4.919 0.000 -9.076) 10.323 13.820 ( 12.751 0.000 -4.821) 13.632 14.102 ( -6.579 0.000 -7.350) 9.864 14.238 ( -2.520 0.000 -5.260) 5.832 14.415 ( -4.468 0.000 -17.355) 17.921 14.574 ( -1.895 0.000 -4.072) 4.491 14.650 ( -5.405 0.000 -16.051) 16.937 14.693 ( 2.867 0.000 3.193) 4.292 15.282 ( 16.690 0.000 -10.139) 19.528 15.653 ( -5.583 0.000 -7.182) 9.096 15.841 ( 4.519 0.000 -3.173) 5.522 15.886 ( -6.659 0.000 1.435) 6.812 16.008 ( -4.384 0.000 -2.458) 5.026 16.246 ( 7.690 0.000 3.359) 8.391 16.367 ( 5.210 0.000 0.049) 5.211 16.471 ( -4.156 0.000 7.949) 8.969 16.706 ( 1.477 0.000 5.300) 5.501 16.964 ( -5.921 0.000 16.591) 17.616 16.967 ( -4.384 0.000 0.177) 4.387 17.045 ( -8.902 0.000 11.493) 14.537 17.078 ( -3.495 0.000 16.390) 16.758 17.116 ( -1.361 0.000 15.371) 15.431 17.270 ( -2.566 0.000 16.802) 16.997 24.066 ( 2.398 0.000 0.646) 2.483 24.265 ( -0.396 0.000 0.315) 0.506 24.525 ( 0.045 0.000 -0.290) 0.293 24.647 ( -2.731 0.000 -4.068) 4.900 25.173 ( 6.709 0.000 0.642) 6.740 25.366 ( 4.924 0.000 -2.502) 5.523 25.439 ( 3.958 0.000 -0.884) 4.056 25.607 ( 1.565 0.000 -0.622) 1.684 25.648 ( 3.572 0.000 -5.138) 6.257 25.658 ( 0.986 0.000 0.408) 1.067 25.716 ( 1.964 0.000 -1.996) 2.800 25.745 ( 11.141 0.000 -10.753) 15.483 25.795 ( 0.444 0.000 2.248) 2.292 25.797 ( 0.366 0.000 0.207) 0.420 25.972 ( -1.306 0.000 -3.075) 3.340 26.195 ( 13.309 0.000 -18.000) 22.386 27.286 ( 0.961 0.000 1.464) 1.751 27.464 ( -2.625 0.000 -4.040) 4.818 27.628 ( -1.693 0.000 -2.649) 3.144 27.685 ( 6.193 0.000 -6.594) 9.047 27.814 ( 7.972 0.000 -5.889) 9.912 28.067 ( 1.503 0.000 -9.086) 9.209 28.403 ( -8.085 0.000 -5.668) 9.874 28.601 ( 2.035 0.000 -9.612) 9.825 29.066 ( -0.124 0.000 0.315) 0.339 29.155 ( -1.083 0.000 -5.001) 5.117 29.342 ( -8.801 0.000 9.890) 13.240 29.604 ( -7.873 0.000 -19.161) 20.716 29.754 ( 8.924 0.000 1.546) 9.057 30.405 ( -3.043 0.000 17.261) 17.527 30.508 ( -25.646 0.000 31.624) 40.716 30.998 ( -14.259 0.000 10.908) 17.953 ======================= Grid point 23 (11/40) ======================= q-point: ( 0.29 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 25.925 0.000 14.974) 29.938 1.684 ( 35.073 0.000 6.401) 35.652 1.695 ( -1.521 0.000 5.544) 5.749 2.238 ( 24.221 0.000 11.841) 26.960 2.578 ( 22.166 0.000 -0.130) 22.166 2.590 ( 11.956 0.000 22.144) 25.166 2.639 ( 20.364 0.000 1.465) 20.417 2.758 ( -16.183 0.000 4.132) 16.702 2.767 ( 19.815 0.000 4.958) 20.426 2.853 ( 27.610 0.000 26.854) 38.516 3.140 ( 12.822 0.000 4.354) 13.541 3.193 ( -15.243 0.000 -7.957) 17.195 3.271 ( -9.421 0.000 7.870) 12.276 3.483 ( -12.402 0.000 -7.257) 14.370 3.569 ( -1.464 0.000 -2.354) 2.772 3.630 ( 2.954 0.000 -2.510) 3.876 3.703 ( -7.285 0.000 1.094) 7.366 3.774 ( -12.669 0.000 1.734) 12.787 3.811 ( -4.772 0.000 1.309) 4.948 3.975 ( 4.922 0.000 -4.012) 6.350 3.986 ( 6.883 0.000 6.984) 9.806 4.102 ( -9.398 0.000 -4.843) 10.572 4.193 ( -3.927 0.000 1.708) 4.282 4.288 ( 4.072 0.000 9.835) 10.644 4.400 ( -2.218 0.000 1.650) 2.765 4.413 ( -10.640 0.000 6.628) 12.536 4.470 ( 1.441 0.000 -4.027) 4.277 4.471 ( -10.654 0.000 4.810) 11.689 4.562 ( 2.981 0.000 3.974) 4.967 4.616 ( 9.864 0.000 -0.665) 9.886 4.643 ( 9.893 0.000 17.375) 19.994 4.920 ( 1.475 0.000 6.207) 6.380 5.040 ( 4.012 0.000 3.683) 5.446 5.086 ( 6.488 0.000 6.205) 8.977 5.160 ( 1.095 0.000 4.590) 4.719 5.164 ( 4.727 0.000 13.307) 14.122 5.201 ( 2.370 0.000 6.028) 6.477 5.314 ( 3.389 0.000 5.144) 6.160 5.417 ( 0.227 0.000 10.053) 10.055 5.429 ( 0.962 0.000 3.744) 3.866 5.597 ( 0.939 0.000 5.195) 5.279 5.633 ( -1.367 0.000 3.644) 3.892 5.725 ( -2.079 0.000 -3.903) 4.422 5.834 ( 4.557 0.000 -3.534) 5.767 5.925 ( 2.214 0.000 -11.742) 11.949 5.996 ( -2.475 0.000 -0.783) 2.596 6.101 ( 2.191 0.000 -8.263) 8.549 6.153 ( -0.238 0.000 -5.466) 5.472 6.211 ( 4.125 0.000 -1.577) 4.416 6.251 ( 0.538 0.000 -3.828) 3.866 6.314 ( 0.783 0.000 -4.647) 4.712 6.338 ( 2.814 0.000 -0.198) 2.821 6.425 ( -2.730 0.000 -0.996) 2.906 6.482 ( 0.343 0.000 3.409) 3.426 6.510 ( 3.336 0.000 -2.650) 4.260 6.563 ( 8.502 0.000 -3.843) 9.330 6.706 ( -1.692 0.000 14.640) 14.737 6.768 ( -7.010 0.000 2.507) 7.445 6.780 ( 1.065 0.000 -1.808) 2.098 6.837 ( -3.099 0.000 0.529) 3.143 7.012 ( 3.982 0.000 -9.745) 10.527 7.073 ( -4.028 0.000 7.966) 8.926 7.142 ( 1.299 0.000 3.241) 3.492 7.212 ( -1.682 0.000 5.772) 6.012 7.249 ( -2.490 0.000 4.903) 5.500 7.321 ( 5.490 0.000 -0.708) 5.535 7.432 ( 6.978 0.000 -2.140) 7.299 7.638 ( -0.256 0.000 3.241) 3.251 7.700 ( 3.032 0.000 -1.315) 3.305 7.851 ( -2.970 0.000 -1.255) 3.224 7.943 ( 6.634 0.000 5.679) 8.733 7.966 ( -2.870 0.000 5.748) 6.425 8.064 ( -7.690 0.000 -3.716) 8.541 8.098 ( -2.763 0.000 2.437) 3.684 8.164 ( -3.803 0.000 -1.116) 3.964 8.303 ( -9.828 0.000 2.775) 10.212 8.315 ( -6.867 0.000 -7.962) 10.514 8.369 ( -2.683 0.000 3.934) 4.761 8.751 ( -4.013 0.000 6.036) 7.248 8.781 ( -8.616 0.000 13.672) 16.160 8.993 ( 3.590 0.000 -1.628) 3.942 9.044 ( 1.097 0.000 1.832) 2.136 9.077 ( 9.644 0.000 -1.818) 9.814 9.170 ( -3.111 0.000 -0.651) 3.179 9.256 ( -3.460 0.000 -1.743) 3.874 9.333 ( 0.340 0.000 -3.865) 3.880 9.355 ( -1.055 0.000 -0.394) 1.126 9.394 ( 2.448 0.000 -1.465) 2.852 9.479 ( -4.745 0.000 0.341) 4.757 9.514 ( -4.627 0.000 2.606) 5.310 9.650 ( -0.483 0.000 2.448) 2.495 9.697 ( -3.892 0.000 -1.040) 4.029 9.715 ( -3.063 0.000 9.949) 10.409 9.836 ( -3.044 0.000 0.164) 3.049 9.945 ( -2.702 0.000 -2.454) 3.650 10.004 ( -8.013 0.000 -1.137) 8.093 10.182 ( -3.358 0.000 5.057) 6.070 10.200 ( -13.365 0.000 0.574) 13.377 10.267 ( -9.248 0.000 2.900) 9.693 10.576 ( -2.460 0.000 -3.199) 4.035 10.876 ( -8.221 0.000 5.173) 9.713 10.930 ( -12.294 0.000 -2.598) 12.565 11.000 ( 5.156 0.000 1.188) 5.291 11.598 ( -10.014 0.000 -3.024) 10.460 12.605 ( 15.960 0.000 -7.172) 17.497 12.774 ( 16.205 0.000 -4.445) 16.804 12.904 ( 8.531 0.000 -1.620) 8.683 13.206 ( -0.779 0.000 2.548) 2.664 13.323 ( 14.541 0.000 -5.580) 15.575 13.394 ( 1.231 0.000 -5.703) 5.834 13.532 ( 1.165 0.000 -8.065) 8.148 13.621 ( -7.236 0.000 -10.202) 12.508 13.686 ( 13.183 0.000 -17.551) 21.951 13.713 ( 9.611 0.000 -6.431) 11.564 13.896 ( -11.442 0.000 -7.332) 13.590 14.066 ( 10.206 0.000 -1.585) 10.329 14.153 ( -5.972 0.000 -5.284) 7.974 14.290 ( -7.156 0.000 -14.844) 16.479 14.492 ( -9.198 0.000 -15.143) 17.717 14.517 ( -3.775 0.000 -3.587) 5.207 14.790 ( 6.739 0.000 2.876) 7.327 15.494 ( -9.756 0.000 -5.449) 11.174 15.634 ( 16.445 0.000 -7.513) 18.080 15.756 ( -4.846 0.000 2.256) 5.346 15.890 ( -6.270 0.000 -0.293) 6.277 15.995 ( 10.129 0.000 -2.408) 10.411 16.406 ( -3.027 0.000 9.418) 9.892 16.422 ( 8.643 0.000 3.690) 9.398 16.487 ( 5.889 0.000 1.880) 6.182 16.758 ( 1.081 0.000 5.333) 5.441 16.833 ( -6.873 0.000 0.545) 6.894 16.843 ( -5.017 0.000 14.838) 15.663 16.920 ( -3.360 0.000 5.326) 6.297 16.972 ( -6.252 0.000 14.988) 16.240 17.072 ( -2.487 0.000 16.963) 17.144 17.201 ( -3.723 0.000 15.671) 16.107 24.127 ( 3.067 0.000 0.284) 3.080 24.252 ( -0.873 0.000 0.254) 0.910 24.528 ( 0.277 0.000 -0.519) 0.588 24.594 ( -2.160 0.000 -2.415) 3.241 25.335 ( 7.754 0.000 -2.030) 8.015 25.441 ( 3.360 0.000 0.278) 3.372 25.527 ( 4.195 0.000 -1.832) 4.577 25.642 ( 1.388 0.000 -0.984) 1.702 25.673 ( 0.352 0.000 -0.391) 0.527 25.716 ( -1.104 0.000 0.516) 1.219 25.726 ( 3.178 0.000 -4.286) 5.335 25.801 ( 1.409 0.000 0.807) 1.623 25.805 ( 0.244 0.000 -0.861) 0.895 25.906 ( 2.624 0.000 -5.777) 6.345 25.946 ( 1.612 0.000 -3.486) 3.840 26.337 ( -0.395 0.000 -18.078) 18.082 27.307 ( 1.101 0.000 0.242) 1.128 27.414 ( -2.174 0.000 0.213) 2.185 27.615 ( 1.329 0.000 -0.404) 1.390 27.830 ( 7.187 0.000 -7.840) 10.636 28.015 ( 9.022 0.000 -6.990) 11.413 28.092 ( 0.340 0.000 -9.857) 9.863 28.201 ( -9.319 0.000 -5.903) 11.031 28.621 ( -0.788 0.000 -14.340) 14.362 29.063 ( -0.131 0.000 -0.031) 0.134 29.127 ( -1.348 0.000 -4.660) 4.851 29.184 ( -6.037 0.000 5.699) 8.302 29.371 ( -12.536 0.000 -1.816) 12.667 29.919 ( 6.994 0.000 3.608) 7.870 30.211 ( -4.989 0.000 18.199) 18.870 30.315 ( -5.419 0.000 13.780) 14.807 30.660 ( -16.011 0.000 12.461) 20.288 ======================= Grid point 24 (12/40) ======================= q-point: ( 0.43 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 24.902 0.000 8.804) 26.413 1.930 ( 23.910 0.000 -1.679) 23.969 2.309 ( -23.756 0.000 4.719) 24.220 2.370 ( 28.953 0.000 1.733) 29.004 2.511 ( -24.552 0.000 1.643) 24.607 2.647 ( 13.808 0.000 11.558) 18.007 2.836 ( -3.808 0.000 -1.414) 4.062 2.921 ( -2.622 0.000 -0.070) 2.623 3.091 ( 11.418 0.000 4.933) 12.439 3.129 ( 7.691 0.000 6.116) 9.826 3.145 ( 12.596 0.000 3.636) 13.111 3.252 ( 2.818 0.000 -8.747) 9.189 3.342 ( -3.601 0.000 2.837) 4.584 3.449 ( 1.541 0.000 5.552) 5.761 3.470 ( 1.079 0.000 0.914) 1.414 3.520 ( 1.403 0.000 4.824) 5.024 3.599 ( -5.634 0.000 -0.545) 5.660 3.655 ( 3.986 0.000 2.591) 4.754 3.712 ( -7.206 0.000 -7.553) 10.439 3.836 ( -3.896 0.000 0.522) 3.931 4.048 ( -7.765 0.000 5.445) 9.484 4.100 ( 6.103 0.000 -0.083) 6.104 4.123 ( -13.046 0.000 8.376) 15.503 4.223 ( -6.481 0.000 3.386) 7.312 4.275 ( 6.954 0.000 5.630) 8.947 4.353 ( 3.114 0.000 11.848) 12.250 4.391 ( -2.821 0.000 6.915) 7.468 4.441 ( -4.003 0.000 6.177) 7.361 4.703 ( 8.452 0.000 -0.412) 8.462 4.789 ( 5.596 0.000 0.386) 5.610 4.845 ( 7.691 0.000 7.825) 10.972 4.933 ( -0.895 0.000 6.933) 6.991 4.995 ( -4.024 0.000 9.892) 10.679 5.094 ( -7.199 0.000 6.971) 10.021 5.234 ( 6.891 0.000 6.170) 9.250 5.282 ( 4.162 0.000 7.282) 8.388 5.394 ( 10.908 0.000 4.210) 11.692 5.415 ( -1.463 0.000 9.927) 10.034 5.430 ( 7.068 0.000 3.701) 7.979 5.465 ( -7.122 0.000 13.554) 15.311 5.473 ( 3.064 0.000 -2.853) 4.187 5.592 ( -5.859 0.000 0.821) 5.916 5.728 ( 5.470 0.000 1.191) 5.598 5.829 ( -3.894 0.000 -2.837) 4.818 5.951 ( -1.243 0.000 -9.517) 9.598 6.020 ( 4.117 0.000 -3.964) 5.715 6.067 ( -11.783 0.000 1.073) 11.832 6.102 ( -2.725 0.000 -6.550) 7.095 6.192 ( 2.194 0.000 -2.333) 3.203 6.278 ( -4.233 0.000 -2.872) 5.116 6.309 ( 4.180 0.000 -0.503) 4.210 6.349 ( 0.870 0.000 -0.046) 0.871 6.486 ( 7.086 0.000 3.300) 7.817 6.594 ( 5.174 0.000 4.091) 6.596 6.622 ( 0.921 0.000 -2.400) 2.571 6.627 ( -4.817 0.000 6.286) 7.919 6.641 ( 3.195 0.000 -0.816) 3.297 6.693 ( -2.771 0.000 7.656) 8.142 6.763 ( 2.810 0.000 1.351) 3.118 6.943 ( 9.755 0.000 -2.476) 10.065 6.950 ( -7.457 0.000 2.735) 7.943 7.074 ( 3.230 0.000 -1.424) 3.530 7.138 ( -6.564 0.000 1.845) 6.818 7.167 ( -4.156 0.000 5.284) 6.722 7.302 ( 11.037 0.000 1.187) 11.101 7.496 ( 11.145 0.000 -4.791) 12.132 7.506 ( -5.358 0.000 2.969) 6.126 7.647 ( 6.702 0.000 2.735) 7.238 7.728 ( -8.075 0.000 -5.154) 9.580 7.755 ( 2.046 0.000 1.379) 2.467 7.841 ( -10.880 0.000 0.170) 10.882 7.852 ( -6.894 0.000 -1.151) 6.989 8.086 ( 1.338 0.000 7.738) 7.852 8.093 ( 3.585 0.000 1.087) 3.746 8.133 ( -0.501 0.000 -6.178) 6.199 8.161 ( -6.041 0.000 6.254) 8.695 8.194 ( 1.492 0.000 1.952) 2.457 8.290 ( -4.842 0.000 2.192) 5.315 8.652 ( -3.079 0.000 11.195) 11.611 8.665 ( -3.666 0.000 10.524) 11.144 9.028 ( 4.911 0.000 -0.772) 4.971 9.141 ( -0.213 0.000 -4.633) 4.638 9.157 ( 2.441 0.000 -1.754) 3.006 9.204 ( 1.844 0.000 -1.201) 2.201 9.223 ( 1.847 0.000 -0.478) 1.908 9.261 ( -6.421 0.000 -1.765) 6.659 9.304 ( -1.692 0.000 -1.440) 2.222 9.365 ( -6.632 0.000 2.434) 7.064 9.418 ( 1.666 0.000 -0.831) 1.862 9.504 ( 6.592 0.000 1.467) 6.753 9.519 ( -7.369 0.000 -2.743) 7.863 9.679 ( -4.667 0.000 4.302) 6.348 9.732 ( 3.099 0.000 -0.676) 3.172 9.803 ( -2.616 0.000 1.872) 3.217 9.848 ( -2.488 0.000 1.737) 3.035 9.900 ( 1.220 0.000 -2.374) 2.669 9.964 ( -10.575 0.000 5.972) 12.145 9.986 ( -6.221 0.000 1.105) 6.318 10.354 ( 11.624 0.000 -0.886) 11.658 10.607 ( 4.224 0.000 -1.162) 4.381 10.642 ( -14.628 0.000 -2.190) 14.792 10.724 ( -6.561 0.000 1.699) 6.778 11.153 ( 9.253 0.000 -1.398) 9.358 11.372 ( -11.139 0.000 -2.547) 11.427 12.933 ( 13.268 0.000 -4.582) 14.037 13.038 ( 2.992 0.000 -3.091) 4.302 13.123 ( 16.204 0.000 -3.415) 16.560 13.199 ( 1.951 0.000 -1.096) 2.238 13.369 ( -5.116 0.000 -2.773) 5.819 13.383 ( -12.771 0.000 -9.219) 15.751 13.537 ( 0.559 0.000 -7.778) 7.798 13.636 ( -10.478 0.000 -7.360) 12.804 13.655 ( 15.903 0.000 -7.648) 17.646 13.917 ( 1.061 0.000 -10.240) 10.295 13.971 ( 13.304 0.000 -17.845) 22.258 13.989 ( -3.111 0.000 -5.191) 6.052 14.134 ( -7.691 0.000 -10.297) 12.852 14.211 ( -4.506 0.000 -13.904) 14.616 14.317 ( 0.426 0.000 -4.044) 4.066 14.425 ( -5.211 0.000 -2.549) 5.801 14.983 ( 11.522 0.000 1.774) 11.658 15.249 ( -13.081 0.000 -1.174) 13.134 15.710 ( 0.499 0.000 0.584) 0.768 15.769 ( -4.789 0.000 0.031) 4.789 15.960 ( 14.345 0.000 -3.210) 14.700 16.177 ( -1.022 0.000 -1.926) 2.180 16.354 ( 4.940 0.000 4.834) 6.911 16.584 ( 5.678 0.000 4.624) 7.322 16.589 ( -12.175 0.000 1.427) 12.258 16.599 ( 4.222 0.000 4.405) 6.101 16.765 ( -1.712 0.000 13.059) 13.171 16.832 ( 2.473 0.000 3.978) 4.684 16.832 ( -6.590 0.000 13.320) 14.861 16.884 ( -1.753 0.000 5.403) 5.681 17.051 ( 1.513 0.000 16.557) 16.626 17.119 ( -4.031 0.000 15.033) 15.564 24.185 ( 2.446 0.000 0.124) 2.449 24.227 ( -1.558 0.000 0.162) 1.566 24.537 ( 0.705 0.000 -0.898) 1.141 24.558 ( -1.301 0.000 -1.471) 1.964 25.464 ( 4.273 0.000 -2.068) 4.747 25.501 ( 1.243 0.000 -0.489) 1.336 25.608 ( 3.416 0.000 -1.998) 3.958 25.656 ( 0.755 0.000 -1.278) 1.484 25.662 ( -1.543 0.000 -1.420) 2.097 25.690 ( -1.568 0.000 0.007) 1.568 25.777 ( 1.736 0.000 -2.936) 3.411 25.801 ( -0.637 0.000 -1.996) 2.095 25.835 ( 1.708 0.000 -0.856) 1.910 25.875 ( -2.183 0.000 -1.981) 2.947 26.077 ( 7.805 0.000 -6.550) 10.189 26.242 ( -7.258 0.000 -10.282) 12.586 27.334 ( 1.539 0.000 0.496) 1.618 27.371 ( -1.932 0.000 1.169) 2.258 27.705 ( 7.416 0.000 -1.026) 7.486 27.910 ( -11.434 0.000 -3.359) 11.917 27.970 ( 5.892 0.000 -7.900) 9.856 28.065 ( -3.000 0.000 -8.992) 9.479 28.303 ( 11.879 0.000 -9.739) 15.361 28.530 ( -8.417 0.000 -14.787) 17.015 29.065 ( 0.477 0.000 0.325) 0.577 29.094 ( -2.611 0.000 2.312) 3.487 29.111 ( 0.297 0.000 -1.458) 1.488 29.167 ( -5.875 0.000 4.376) 7.326 30.056 ( 6.316 0.000 6.135) 8.805 30.189 ( -6.386 0.000 9.704) 11.616 30.214 ( 4.326 0.000 11.025) 11.844 30.375 ( -10.867 0.000 11.134) 15.558 ======================= Grid point 28 (13/40) ======================= q-point: ( 0.00 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.951 ( 0.000 14.492 31.894) 35.032 1.183 ( 0.000 24.038 24.349) 34.216 1.286 ( 0.000 -8.324 23.496) 24.927 1.685 ( 0.000 -22.884 25.408) 34.194 1.713 ( 0.000 35.975 36.339) 51.134 2.184 ( 0.000 -3.995 3.138) 5.080 2.260 ( 0.000 3.552 10.358) 10.950 2.381 ( 0.000 12.159 11.327) 16.618 2.517 ( 0.000 -1.375 7.904) 8.022 2.627 ( 0.000 -8.003 13.392) 15.601 2.916 ( 0.000 -28.366 20.932) 35.253 3.088 ( 0.000 -17.185 12.105) 21.020 3.272 ( 0.000 6.737 3.862) 7.766 3.404 ( 0.000 -6.034 5.392) 8.092 3.650 ( 0.000 7.927 2.322) 8.260 3.714 ( 0.000 7.260 -12.422) 14.388 3.779 ( 0.000 -4.378 1.788) 4.729 3.861 ( 0.000 -5.567 -6.169) 8.309 3.970 ( 0.000 -1.262 -4.127) 4.316 3.972 ( 0.000 -2.963 -7.146) 7.736 4.087 ( 0.000 -1.169 1.420) 1.839 4.123 ( 0.000 -4.230 -1.663) 4.545 4.229 ( 0.000 11.656 -0.077) 11.657 4.308 ( 0.000 11.028 3.560) 11.589 4.402 ( 0.000 -5.941 -4.478) 7.439 4.430 ( 0.000 -1.073 -3.785) 3.934 4.515 ( 0.000 1.600 5.337) 5.572 4.550 ( 0.000 -4.058 6.332) 7.521 4.763 ( 0.000 10.264 0.545) 10.278 4.787 ( 0.000 6.272 8.525) 10.583 4.828 ( 0.000 10.409 3.663) 11.034 4.870 ( 0.000 -5.678 0.040) 5.678 5.013 ( 0.000 3.618 8.165) 8.930 5.039 ( 0.000 2.669 13.550) 13.811 5.054 ( 0.000 1.071 2.842) 3.037 5.121 ( 0.000 -1.211 6.085) 6.205 5.145 ( 0.000 -1.969 11.761) 11.924 5.241 ( 0.000 3.438 -0.252) 3.447 5.307 ( 0.000 -3.881 -0.941) 3.994 5.338 ( 0.000 -3.269 0.743) 3.352 5.401 ( 0.000 -4.120 1.496) 4.384 5.418 ( 0.000 -15.551 5.700) 16.563 5.607 ( 0.000 8.204 -2.280) 8.514 5.802 ( 0.000 -11.068 -4.923) 12.113 5.973 ( 0.000 11.848 0.605) 11.863 6.005 ( 0.000 0.685 -8.398) 8.426 6.030 ( 0.000 -0.387 -10.060) 10.067 6.119 ( 0.000 -2.922 -1.808) 3.436 6.179 ( 0.000 1.267 -4.826) 4.989 6.182 ( 0.000 0.658 -6.465) 6.498 6.222 ( 0.000 5.179 -4.089) 6.599 6.238 ( 0.000 0.996 -0.622) 1.174 6.381 ( 0.000 -1.568 -4.260) 4.540 6.400 ( 0.000 -4.679 -3.848) 6.058 6.572 ( 0.000 8.641 2.590) 9.021 6.634 ( 0.000 1.786 5.336) 5.626 6.705 ( 0.000 -4.930 0.707) 4.980 6.792 ( 0.000 -11.490 0.611) 11.506 6.932 ( 0.000 3.809 -0.654) 3.865 6.974 ( 0.000 -1.635 1.142) 1.994 7.030 ( 0.000 4.035 -0.349) 4.050 7.100 ( 0.000 -0.789 -6.458) 6.506 7.179 ( 0.000 -0.995 0.475) 1.103 7.208 ( 0.000 -5.183 4.720) 7.010 7.290 ( 0.000 5.910 4.746) 7.580 7.329 ( 0.000 5.902 7.036) 9.184 7.423 ( 0.000 -1.829 4.125) 4.512 7.481 ( 0.000 -5.042 5.500) 7.462 7.704 ( 0.000 6.975 -0.240) 6.979 7.771 ( 0.000 6.196 -13.390) 14.754 7.850 ( 0.000 8.006 -5.399) 9.657 8.024 ( 0.000 -5.340 -11.982) 13.118 8.223 ( 0.000 0.921 -5.168) 5.249 8.261 ( 0.000 -3.258 -2.929) 4.381 8.303 ( 0.000 5.113 -8.336) 9.779 8.387 ( 0.000 -1.946 -0.618) 2.042 8.593 ( 0.000 6.123 3.351) 6.980 8.646 ( 0.000 -1.797 -0.718) 1.936 8.692 ( 0.000 -1.626 -4.559) 4.840 8.706 ( 0.000 -0.826 0.575) 1.006 8.997 ( 0.000 0.867 7.303) 7.354 9.053 ( 0.000 -2.876 6.654) 7.249 9.210 ( 0.000 6.392 1.532) 6.573 9.243 ( 0.000 6.258 -1.390) 6.410 9.289 ( 0.000 -0.534 -1.520) 1.611 9.374 ( 0.000 -8.696 2.065) 8.938 9.404 ( 0.000 -1.872 -0.618) 1.971 9.435 ( 0.000 -4.288 -1.806) 4.653 9.581 ( 0.000 3.167 3.381) 4.632 9.634 ( 0.000 -2.151 3.438) 4.056 9.673 ( 0.000 0.748 -0.605) 0.962 9.684 ( 0.000 -0.395 -0.989) 1.065 9.911 ( 0.000 5.494 17.094) 17.955 9.949 ( 0.000 0.813 1.171) 1.425 10.027 ( 0.000 -1.966 2.662) 3.310 10.115 ( 0.000 -11.009 15.680) 19.159 10.323 ( 0.000 12.201 0.287) 12.205 10.514 ( 0.000 -0.102 2.496) 2.498 10.517 ( 0.000 -0.077 2.911) 2.912 10.628 ( 0.000 -18.263 -0.959) 18.288 11.007 ( 0.000 7.047 2.672) 7.536 11.173 ( 0.000 -10.334 -1.731) 10.478 11.456 ( 0.000 16.940 -3.210) 17.241 11.745 ( 0.000 -13.033 -3.669) 13.540 12.235 ( 0.000 4.184 -6.719) 7.915 12.341 ( 0.000 -7.030 0.015) 7.030 12.768 ( 0.000 5.986 -0.122) 5.987 12.876 ( 0.000 -5.749 0.741) 5.797 13.141 ( 0.000 5.427 -1.100) 5.537 13.223 ( 0.000 -2.467 -7.239) 7.648 13.310 ( 0.000 1.924 -11.261) 11.424 13.353 ( 0.000 -0.673 -15.776) 15.790 13.370 ( 0.000 5.664 7.622) 9.496 13.531 ( 0.000 -9.021 6.671) 11.220 13.922 ( 0.000 7.169 -9.344) 11.778 14.077 ( 0.000 -8.141 -9.033) 12.161 14.366 ( 0.000 7.187 -3.873) 8.164 14.471 ( 0.000 -2.433 -8.158) 8.513 14.595 ( 0.000 1.915 -12.118) 12.269 14.651 ( 0.000 -2.680 -15.261) 15.494 14.870 ( 0.000 11.251 -8.839) 14.308 15.014 ( 0.000 -4.283 -5.732) 7.155 15.733 ( 0.000 1.685 -5.817) 6.056 15.772 ( 0.000 -2.152 -4.107) 4.637 16.021 ( 0.000 1.714 -3.831) 4.197 16.038 ( 0.000 0.349 -3.322) 3.340 16.161 ( 0.000 1.811 5.666) 5.949 16.243 ( 0.000 -5.579 2.668) 6.184 16.544 ( 0.000 1.348 4.982) 5.161 16.606 ( 0.000 -6.438 7.221) 9.675 17.016 ( 0.000 0.660 0.710) 0.969 17.054 ( 0.000 1.326 16.674) 16.727 17.060 ( 0.000 -4.844 4.487) 6.603 17.086 ( 0.000 -1.922 16.870) 16.979 17.210 ( 0.000 1.155 20.361) 20.394 17.244 ( 0.000 -1.676 21.947) 22.011 24.325 ( 0.000 5.552 0.216) 5.556 24.385 ( 0.000 19.148 -14.930) 24.280 24.454 ( 0.000 -5.568 -0.519) 5.592 24.627 ( 0.000 -6.551 -8.934) 11.079 25.105 ( 0.000 0.599 2.274) 2.352 25.121 ( 0.000 -0.936 1.673) 1.917 25.410 ( 0.000 2.787 -0.521) 2.835 25.495 ( 0.000 -5.818 -2.541) 6.349 25.531 ( 0.000 2.912 1.988) 3.526 25.590 ( 0.000 -2.866 0.918) 3.010 25.664 ( 0.000 1.689 0.958) 1.941 25.700 ( 0.000 -1.534 0.576) 1.639 25.821 ( 0.000 3.758 1.115) 3.920 25.879 ( 0.000 5.851 0.182) 5.854 25.910 ( 0.000 -5.426 0.100) 5.427 25.979 ( 0.000 -4.291 -0.406) 4.310 27.450 ( 0.000 7.177 -12.241) 14.190 27.503 ( 0.000 -0.632 -10.849) 10.867 27.633 ( 0.000 1.688 -3.464) 3.853 27.645 ( 0.000 -0.168 -4.053) 4.057 27.816 ( 0.000 10.294 -9.059) 13.712 27.994 ( 0.000 -6.195 -10.578) 12.259 28.518 ( 0.000 0.687 -4.082) 4.139 28.540 ( 0.000 -1.351 -6.939) 7.069 29.093 ( 0.000 2.428 -1.255) 2.733 29.143 ( 0.000 -2.324 -4.132) 4.741 29.552 ( 0.000 2.979 19.693) 19.917 29.580 ( 0.000 -0.227 -13.742) 13.744 29.723 ( 0.000 6.082 -7.221) 9.441 30.009 ( 0.000 -25.270 30.793) 39.834 31.103 ( 0.000 2.939 7.690) 8.232 31.134 ( 0.000 -0.847 10.550) 10.584 ======================= Grid point 29 (14/40) ======================= q-point: ( 0.14 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 6.788 16.925 26.502) 32.170 1.356 ( 10.909 -8.010 18.046) 22.557 1.407 ( 14.173 14.671 18.628) 27.624 1.874 ( 16.118 -21.070 21.041) 33.859 2.030 ( 20.445 16.960 22.542) 34.839 2.251 ( 9.517 1.161 5.966) 11.292 2.389 ( 11.933 11.379 3.383) 16.832 2.454 ( 17.897 7.069 15.907) 24.966 2.700 ( 7.716 -7.770 10.347) 15.065 2.741 ( 11.695 14.582 10.656) 21.517 3.064 ( 0.666 -13.532 11.884) 18.021 3.119 ( 11.930 -27.545 15.438) 33.755 3.266 ( 0.526 -0.994 5.132) 5.254 3.365 ( -2.989 -7.246 6.148) 9.961 3.627 ( -4.243 5.645 -4.515) 8.381 3.692 ( -1.495 5.791 -7.588) 9.661 3.722 ( -5.721 -0.375 -3.368) 6.650 3.818 ( -2.786 -1.120 0.504) 3.044 3.932 ( -3.286 -4.651 -4.795) 7.445 3.944 ( -4.624 -5.968 -4.572) 8.826 4.078 ( -1.907 4.334 0.557) 4.767 4.151 ( 0.589 -3.758 2.688) 4.658 4.207 ( 0.783 5.752 2.194) 6.206 4.300 ( -1.775 3.610 -0.763) 4.095 4.347 ( -5.436 -0.834 -6.087) 8.204 4.376 ( -2.779 -7.850 -1.094) 8.399 4.444 ( -0.672 4.583 3.230) 5.647 4.510 ( -2.371 -0.823 6.458) 6.929 4.707 ( -8.177 3.242 5.552) 10.402 4.785 ( -0.851 4.566 5.408) 7.128 4.884 ( -4.520 2.182 7.304) 8.862 4.895 ( 2.917 9.046 1.047) 9.562 4.940 ( -0.507 0.008 1.478) 1.563 4.991 ( 3.870 8.009 11.650) 14.658 5.078 ( -2.980 1.215 6.575) 7.320 5.126 ( 3.924 -1.328 2.532) 4.855 5.151 ( -1.790 -9.038 12.480) 15.512 5.263 ( 6.743 7.389 6.620) 11.996 5.300 ( -1.202 -7.113 12.298) 14.258 5.431 ( 6.084 -7.961 -1.044) 10.073 5.468 ( 5.942 -0.802 -0.931) 6.067 5.559 ( 10.509 -3.996 -2.377) 11.491 5.661 ( 3.796 5.990 -2.773) 7.614 5.816 ( 0.854 -5.261 -2.151) 5.748 5.915 ( -2.284 6.120 0.671) 6.567 6.029 ( 0.520 -2.146 -7.625) 7.938 6.061 ( 4.183 1.010 -10.113) 10.991 6.110 ( -2.170 2.141 -4.727) 5.624 6.155 ( -1.140 -4.788 -2.898) 5.712 6.192 ( 0.757 -2.473 -2.672) 3.718 6.292 ( 5.749 1.566 -0.802) 6.012 6.317 ( 5.324 0.043 -5.319) 7.526 6.373 ( -3.357 5.370 -2.916) 6.972 6.442 ( 4.274 0.645 -5.530) 7.019 6.522 ( -0.687 3.558 -0.090) 3.625 6.604 ( -5.278 0.032 -1.141) 5.400 6.692 ( -1.181 -4.731 7.452) 8.906 6.750 ( -1.696 -7.236 4.122) 8.499 6.890 ( -2.275 2.736 1.066) 3.714 6.933 ( -2.946 1.077 0.080) 3.137 7.059 ( -1.851 4.690 -3.161) 5.951 7.080 ( -0.096 -0.429 -2.173) 2.217 7.148 ( -2.120 -3.023 1.293) 3.912 7.189 ( -0.454 -5.134 4.212) 6.656 7.310 ( -3.557 7.422 5.813) 10.076 7.337 ( 0.156 4.191 4.594) 6.220 7.413 ( 1.499 0.886 5.006) 5.300 7.490 ( 7.718 -5.033 -1.074) 9.277 7.688 ( 2.379 7.257 -4.461) 8.844 7.804 ( 1.393 -3.239 -2.391) 4.260 7.957 ( 3.700 7.603 -2.922) 8.946 8.035 ( -1.214 -0.204 0.646) 1.390 8.163 ( -5.737 0.185 -4.857) 7.519 8.189 ( -2.380 -0.394 -9.066) 9.381 8.281 ( -6.319 0.926 -0.412) 6.400 8.344 ( -6.337 -4.344 0.882) 7.734 8.521 ( -4.411 9.216 0.194) 10.219 8.602 ( -6.673 4.255 2.331) 8.250 8.681 ( -1.044 -7.546 -0.058) 7.618 8.750 ( 2.087 -7.230 1.909) 7.764 8.966 ( 1.325 3.700 3.910) 5.544 9.019 ( -0.154 -1.694 5.141) 5.416 9.126 ( -4.114 6.266 6.315) 9.801 9.221 ( 0.653 -3.538 3.545) 5.051 9.271 ( 1.612 4.379 -2.245) 5.178 9.326 ( 0.934 1.061 -3.589) 3.857 9.396 ( -2.551 -0.093 -0.418) 2.587 9.450 ( -5.443 -3.818 2.743) 7.192 9.522 ( -4.864 0.275 2.133) 5.318 9.567 ( -4.756 -3.548 2.549) 6.458 9.658 ( -0.871 1.528 3.839) 4.223 9.694 ( 1.264 -2.452 3.431) 4.403 9.843 ( -3.662 2.817 2.621) 5.312 9.921 ( -3.203 -5.205 -1.630) 6.325 9.984 ( -1.914 6.433 6.602) 9.415 10.133 ( -2.000 -8.668 7.414) 11.580 10.260 ( -5.724 10.779 -1.281) 12.272 10.429 ( -8.241 -2.661 -0.072) 8.660 10.472 ( -4.828 1.437 3.537) 6.155 10.582 ( -3.570 -11.690 -0.475) 12.232 10.956 ( -3.819 2.578 2.830) 5.407 11.006 ( -12.976 -2.595 3.129) 13.597 11.403 ( -5.866 15.904 -1.883) 17.056 11.668 ( -6.540 -11.001 -2.755) 13.092 12.355 ( 10.822 3.880 -7.360) 13.650 12.437 ( 10.609 -4.068 -5.034) 12.427 12.806 ( 6.627 7.617 0.545) 10.111 12.982 ( 6.860 -9.787 -1.966) 12.113 13.255 ( 2.091 3.170 -1.114) 3.957 13.302 ( 5.957 -0.692 -9.107) 10.904 13.422 ( 9.120 -0.991 -11.456) 14.677 13.432 ( 6.002 -1.412 -14.138) 15.424 13.516 ( 11.776 6.151 1.406) 13.360 13.681 ( 13.095 -10.310 1.837) 16.767 13.864 ( -5.401 6.625 -9.271) 12.610 14.010 ( -6.323 -7.718 -8.855) 13.340 14.330 ( -3.187 7.063 -4.136) 8.784 14.430 ( -3.857 -1.660 -9.440) 10.331 14.561 ( -3.142 0.679 -10.658) 11.132 14.608 ( -4.344 -2.858 -15.330) 16.188 14.881 ( 2.624 14.501 -3.395) 15.123 15.146 ( 9.699 -12.268 -7.401) 17.302 15.718 ( -1.328 5.166 -6.338) 8.284 15.806 ( 2.998 -3.586 -4.153) 6.253 15.916 ( -5.909 2.853 0.915) 6.625 15.977 ( -5.325 -3.013 -0.992) 6.198 16.259 ( 7.134 1.594 3.260) 8.004 16.311 ( 4.930 -3.796 2.864) 6.849 16.537 ( 0.377 5.219 6.715) 8.513 16.643 ( 2.858 -5.550 7.051) 9.418 16.962 ( -5.091 0.139 4.554) 6.832 16.976 ( -6.120 -0.640 9.489) 11.310 17.006 ( -4.146 0.476 10.627) 11.417 17.057 ( -2.361 -3.617 14.428) 15.061 17.152 ( -3.681 3.898 18.426) 19.190 17.223 ( -2.675 -3.578 19.102) 19.618 24.268 ( -4.021 16.299 -3.143) 17.079 24.322 ( -0.281 5.660 0.189) 5.670 24.451 ( -0.095 -6.659 -0.039) 6.659 24.541 ( -4.779 -10.804 -4.180) 12.531 25.230 ( 7.895 5.524 -1.355) 9.730 25.344 ( 7.311 -4.703 -4.606) 9.838 25.459 ( 2.916 3.276 -0.071) 4.387 25.534 ( 3.034 -4.139 -1.813) 5.443 25.642 ( 4.980 -0.055 -1.589) 5.228 25.668 ( 3.342 -0.114 -1.763) 3.780 25.703 ( 9.218 -2.129 -5.739) 11.065 25.720 ( 2.013 -1.400 -0.071) 2.454 25.822 ( -0.110 4.194 0.458) 4.220 25.881 ( 0.618 3.959 -0.050) 4.007 25.931 ( 0.639 -1.933 -2.138) 2.952 26.044 ( 7.141 -9.315 -3.525) 12.255 27.416 ( -1.873 5.545 -8.014) 9.924 27.471 ( -1.653 -0.795 -6.351) 6.611 27.701 ( 0.536 7.074 -5.605) 9.041 27.725 ( 6.597 3.311 -7.364) 10.426 27.811 ( 3.702 1.974 -5.252) 6.722 27.973 ( -2.203 -9.083 -8.934) 12.930 28.463 ( -3.673 5.218 -7.036) 9.498 28.559 ( 0.679 -4.175 -8.960) 9.909 29.088 ( -0.442 2.020 -1.161) 2.371 29.131 ( -1.018 -2.176 -3.693) 4.406 29.399 ( -8.659 5.696 7.146) 12.589 29.528 ( -8.113 -6.729 -6.693) 12.486 29.822 ( 7.259 6.749 4.196) 10.763 30.035 ( 1.885 -17.109 20.734) 26.948 30.803 ( -19.448 12.055 16.260) 28.070 30.953 ( -15.659 -4.789 12.194) 20.417 ======================= Grid point 30 (15/40) ======================= q-point: ( 0.29 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( 22.011 7.074 13.798) 26.924 1.500 ( 10.185 -14.202 9.606) 19.942 1.914 ( 28.161 19.708 8.901) 35.506 2.277 ( 20.222 -15.462 13.365) 28.751 2.453 ( 21.987 10.527 8.489) 25.813 2.609 ( 17.156 -4.189 0.832) 17.680 2.699 ( 15.624 5.913 0.188) 16.707 2.798 ( -3.528 3.559 4.679) 6.856 2.917 ( -2.959 4.497 7.956) 9.606 2.978 ( 5.665 -10.397 8.202) 14.404 3.040 ( 27.807 18.724 23.172) 40.753 3.201 ( -1.285 4.067 1.873) 4.659 3.286 ( -3.720 -1.553 1.341) 4.248 3.442 ( -2.771 -6.815 -3.000) 7.945 3.514 ( -2.507 -4.651 -5.050) 7.309 3.644 ( 9.194 -16.567 6.342) 19.980 3.654 ( -2.303 2.585 -0.730) 3.538 3.735 ( -5.849 1.502 1.063) 6.131 3.748 ( -9.938 -5.399 2.108) 11.504 3.801 ( -8.271 -4.106 0.588) 9.253 4.053 ( -0.268 5.416 -3.586) 6.501 4.105 ( -3.481 0.677 -3.210) 4.783 4.190 ( -4.453 0.258 0.782) 4.528 4.246 ( -3.184 -6.933 -0.531) 7.648 4.347 ( 2.414 -2.475 4.426) 5.616 4.390 ( 1.831 -5.112 5.175) 7.501 4.417 ( -2.902 1.696 5.992) 6.870 4.438 ( -2.040 1.390 6.475) 6.930 4.605 ( -0.968 8.719 6.251) 10.772 4.700 ( -2.164 11.340 2.232) 11.759 4.852 ( 0.537 -8.569 4.830) 9.851 4.908 ( 0.983 -8.368 4.055) 9.350 4.956 ( 0.514 6.682 4.570) 8.111 4.999 ( -3.380 -2.663 10.287) 11.151 5.098 ( 0.493 -7.982 15.129) 17.113 5.157 ( -1.024 -5.898 6.310) 8.697 5.187 ( 6.773 10.183 4.419) 13.004 5.340 ( 4.791 1.307 8.044) 9.454 5.427 ( 6.399 3.790 7.293) 10.417 5.521 ( 2.806 -6.233 5.262) 8.626 5.628 ( 7.079 7.008 -2.230) 10.208 5.700 ( 1.489 10.233 -1.218) 10.413 5.760 ( 5.825 1.214 0.314) 5.959 5.845 ( 1.002 -3.476 -6.059) 7.057 5.917 ( 3.803 0.719 -2.680) 4.708 5.999 ( -1.849 -0.996 -2.186) 3.031 6.094 ( 0.767 0.223 -3.855) 3.937 6.134 ( 0.101 -1.504 -6.913) 7.075 6.184 ( 2.244 -1.140 -6.438) 6.913 6.213 ( 0.897 -5.505 -4.891) 7.419 6.245 ( -3.045 2.084 -0.702) 3.756 6.339 ( -9.148 -5.303 -1.013) 10.622 6.407 ( 4.748 2.527 -0.349) 5.390 6.448 ( 3.275 -2.414 3.084) 5.105 6.586 ( 4.252 5.964 -4.271) 8.479 6.656 ( 8.693 3.118 -7.710) 12.030 6.673 ( 0.846 -0.563 5.966) 6.052 6.700 ( -2.787 -4.585 3.756) 6.550 6.862 ( -2.701 0.852 -1.286) 3.111 6.862 ( -1.743 4.096 5.415) 7.009 7.004 ( -0.090 1.783 1.208) 2.155 7.098 ( -0.563 -4.765 2.353) 5.344 7.112 ( -0.700 1.158 2.621) 2.950 7.194 ( 0.281 -3.732 1.655) 4.092 7.251 ( -1.517 2.370 3.674) 4.627 7.277 ( -1.207 0.682 5.140) 5.324 7.570 ( 9.398 7.971 -1.247) 12.386 7.658 ( 3.337 0.564 -2.285) 4.083 7.742 ( 2.735 3.349 -2.713) 5.105 7.815 ( -0.529 -3.285 0.778) 3.417 7.941 ( -3.617 1.032 0.787) 3.843 7.977 ( -4.158 -0.013 2.166) 4.688 8.032 ( -5.628 -2.257 3.173) 6.844 8.087 ( -9.011 1.119 5.112) 10.420 8.129 ( -4.321 -3.068 -6.306) 8.237 8.187 ( -4.298 -5.994 -3.218) 8.048 8.444 ( -5.137 10.877 9.369) 15.247 8.495 ( -3.704 8.142 -0.240) 8.948 8.652 ( -2.518 -7.901 2.852) 8.769 8.662 ( -5.869 -10.358 11.214) 16.355 9.027 ( -1.068 1.357 3.650) 4.038 9.043 ( 0.221 -0.414 2.679) 2.719 9.145 ( 6.132 5.199 -0.830) 8.082 9.220 ( 0.251 -1.095 -1.624) 1.974 9.263 ( -0.848 5.686 -2.566) 6.296 9.342 ( -0.854 -0.191 -3.114) 3.234 9.361 ( -1.125 0.435 -1.341) 1.803 9.380 ( 0.237 -1.244 -1.350) 1.851 9.465 ( -3.088 -0.538 1.295) 3.391 9.495 ( -3.294 -2.164 1.733) 4.305 9.637 ( -2.316 -0.513 3.738) 4.427 9.658 ( 0.009 -1.873 2.655) 3.249 9.762 ( -4.134 3.617 -0.752) 5.545 9.855 ( -2.731 -4.896 -2.841) 6.285 9.921 ( -3.281 5.488 4.491) 7.814 10.047 ( -7.041 -4.203 2.545) 8.586 10.119 ( -5.008 2.422 -1.225) 5.696 10.187 ( -13.013 -2.670 -0.676) 13.301 10.296 ( -10.486 5.752 5.369) 13.110 10.498 ( -5.016 -12.884 0.417) 13.832 10.785 ( -4.870 6.927 2.149) 8.736 10.933 ( 2.348 -6.498 0.593) 6.935 11.229 ( -10.127 16.326 -1.636) 19.281 11.492 ( -10.027 -10.612 -2.753) 14.857 12.646 ( 16.060 3.965 -6.535) 17.786 12.730 ( 16.192 -4.129 -5.153) 17.486 12.983 ( 8.534 7.801 -2.362) 11.801 13.166 ( 8.873 -10.183 -4.071) 14.107 13.266 ( -0.107 4.531 1.127) 4.670 13.371 ( 1.591 -5.013 -2.388) 5.777 13.576 ( 7.527 4.198 -13.362) 15.900 13.648 ( 9.326 -2.584 -15.990) 18.690 13.690 ( -6.140 5.600 -10.470) 13.367 13.779 ( 9.130 5.807 -4.557) 11.741 13.825 ( -9.897 -5.834 -7.643) 13.799 13.944 ( 11.152 -9.488 -0.806) 14.664 14.236 ( -6.051 6.654 -4.903) 10.243 14.314 ( -7.043 0.233 -10.869) 12.954 14.462 ( -7.805 -1.992 -13.024) 15.314 14.476 ( -6.386 -2.888 -8.951) 11.368 14.988 ( 7.210 17.317 -0.166) 18.758 15.334 ( 7.087 -17.018 -4.634) 19.008 15.628 ( -8.111 6.254 -2.573) 10.560 15.783 ( -6.825 -8.545 -1.990) 11.116 15.894 ( 5.698 7.281 -0.397) 9.254 15.988 ( 8.545 -2.404 -0.656) 8.901 16.402 ( 3.377 0.406 5.552) 6.511 16.417 ( 6.487 -0.805 4.211) 7.775 16.563 ( 1.725 6.658 4.869) 8.427 16.692 ( 0.217 -6.055 6.398) 8.812 16.839 ( -5.707 0.853 1.898) 6.074 16.859 ( -3.914 -0.439 6.574) 7.663 16.916 ( -3.996 2.470 11.282) 12.221 16.987 ( -3.610 -2.705 16.547) 17.151 17.070 ( -3.998 2.873 14.933) 15.724 17.151 ( -3.873 -4.368 16.076) 17.103 24.246 ( 0.788 11.230 -0.570) 11.272 24.313 ( -0.582 6.059 0.105) 6.087 24.449 ( -0.025 -7.104 -0.241) 7.108 24.476 ( -1.646 -11.036 -1.775) 11.298 25.377 ( 6.279 3.794 -2.460) 7.738 25.448 ( 4.151 -2.261 -2.467) 5.332 25.514 ( 2.318 2.004 0.654) 3.133 25.586 ( 1.802 -4.233 -0.247) 4.608 25.700 ( 1.318 2.218 -0.633) 2.656 25.724 ( 2.227 1.253 -2.424) 3.522 25.785 ( 2.891 0.660 -0.506) 3.008 25.804 ( 0.209 4.179 -2.490) 4.869 25.856 ( 2.584 -1.885 -3.860) 5.013 25.904 ( 2.597 -2.989 -3.570) 5.331 25.938 ( 0.107 8.071 -2.854) 8.562 26.166 ( 1.947 -13.751 -9.191) 16.654 27.395 ( -0.038 5.145 -3.882) 6.445 27.462 ( 0.879 0.368 -2.951) 3.101 27.624 ( -4.532 7.258 -0.528) 8.573 27.848 ( -2.572 -10.276 -6.680) 12.524 27.914 ( 6.027 2.748 -5.848) 8.836 28.005 ( 9.832 -4.429 -7.202) 12.967 28.379 ( -4.571 10.958 -10.627) 15.934 28.554 ( -1.865 -6.899 -13.585) 15.350 29.079 ( -0.360 1.404 -1.187) 1.873 29.108 ( -0.999 -1.535 -2.997) 3.512 29.226 ( -7.349 3.928 4.850) 9.642 29.316 ( -10.560 -4.884 1.953) 11.798 29.964 ( 6.200 4.480 5.248) 9.277 30.080 ( 2.656 -7.576 11.265) 13.832 30.465 ( -12.605 9.202 15.193) 21.780 30.608 ( -15.537 -5.439 13.361) 21.202 ======================= Grid point 31 (16/40) ======================= q-point: ( 0.43 0.33 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 26.866 2.937 6.473) 27.791 1.890 ( 26.519 -3.482 1.673) 26.799 2.359 ( -15.475 4.551 4.288) 16.691 2.422 ( -10.713 0.036 1.955) 10.890 2.563 ( 5.635 9.034 4.029) 11.384 2.725 ( 6.780 1.078 5.523) 8.811 2.861 ( -1.106 1.168 -0.322) 1.640 2.887 ( 8.607 -4.982 5.242) 11.242 2.954 ( 9.487 1.743 2.861) 10.061 3.131 ( 7.176 -9.239 2.266) 11.916 3.187 ( 1.048 3.342 4.763) 5.912 3.301 ( -1.327 1.619 2.966) 3.631 3.303 ( 6.202 -0.852 -3.775) 7.310 3.353 ( -8.110 -2.409 -0.662) 8.486 3.476 ( -10.068 1.651 0.208) 10.204 3.527 ( -9.128 -3.470 -0.790) 9.798 3.638 ( 0.672 2.763 -0.069) 2.845 3.722 ( 6.980 -2.066 -1.418) 7.416 3.754 ( 18.037 11.012 6.702) 22.170 3.832 ( -4.942 -0.973 -0.027) 5.037 3.995 ( -6.974 -2.539 1.567) 7.585 4.098 ( -2.989 8.092 0.485) 8.640 4.178 ( 12.360 -10.469 1.952) 16.315 4.224 ( 0.846 4.081 4.735) 6.308 4.283 ( -7.958 3.053 11.119) 14.010 4.338 ( 0.452 -2.179 9.767) 10.017 4.370 ( -5.046 -4.069 7.360) 9.807 4.415 ( -2.020 -6.518 5.055) 8.492 4.699 ( 6.215 2.060 4.178) 7.767 4.713 ( 4.808 4.143 6.325) 8.961 4.853 ( -4.011 -4.086 6.073) 8.347 4.878 ( -6.369 -3.446 7.574) 10.479 4.972 ( 3.690 -3.673 5.840) 7.824 5.004 ( 4.831 -5.333 7.574) 10.447 5.090 ( -2.061 -6.036 2.308) 6.782 5.102 ( -3.265 -5.924 8.951) 11.219 5.344 ( 7.802 2.414 7.825) 11.310 5.410 ( 1.458 -1.035 7.429) 7.642 5.461 ( -1.771 0.500 7.610) 7.829 5.513 ( -4.480 -4.443 5.172) 8.158 5.743 ( 4.264 14.085 -1.157) 14.762 5.758 ( 3.001 12.366 1.396) 12.801 5.821 ( 1.973 6.949 0.386) 7.234 5.858 ( 0.329 1.287 -1.256) 1.828 5.982 ( 0.266 1.364 -3.860) 4.103 6.029 ( 0.388 2.920 -5.517) 6.255 6.078 ( 1.045 -3.694 -3.934) 5.497 6.106 ( -0.254 2.712 -4.074) 4.901 6.145 ( -4.605 1.155 -0.624) 4.789 6.189 ( -4.009 -7.063 -5.677) 9.909 6.241 ( 2.084 -7.236 0.748) 7.567 6.256 ( 0.795 -7.898 -0.259) 7.942 6.516 ( 5.953 1.618 1.228) 6.290 6.537 ( 4.796 -1.353 0.735) 5.037 6.628 ( -4.075 0.591 3.753) 5.571 6.646 ( -3.881 -0.957 4.031) 5.677 6.717 ( 6.533 6.207 -0.755) 9.043 6.777 ( 0.871 7.733 0.197) 7.784 6.826 ( 1.574 1.143 5.936) 6.247 6.908 ( 1.978 -3.546 1.862) 4.467 6.988 ( 0.193 2.703 0.351) 2.733 7.058 ( 1.307 -2.523 -0.537) 2.892 7.121 ( -4.403 -0.708 1.295) 4.643 7.151 ( -4.568 -2.384 2.278) 5.634 7.309 ( 9.856 2.895 2.963) 10.691 7.375 ( 9.172 -3.660 -0.102) 9.876 7.556 ( -8.901 1.680 4.760) 10.233 7.639 ( -10.668 -5.697 -1.292) 12.163 7.781 ( 6.172 7.869 -1.763) 10.155 7.809 ( 1.540 5.065 0.418) 5.310 7.858 ( -2.260 2.073 -0.991) 3.223 7.921 ( -4.538 -1.627 -0.449) 4.842 7.993 ( 0.410 -4.109 4.100) 5.819 7.999 ( 0.983 -0.499 1.960) 2.249 8.065 ( -1.043 -4.975 -6.889) 8.561 8.116 ( -3.112 -5.035 -3.516) 6.884 8.360 ( -1.283 10.769 9.104) 14.160 8.399 ( -4.295 8.677 6.610) 11.723 8.561 ( -3.114 -8.600 11.415) 14.627 8.571 ( -3.750 -8.049 8.151) 12.054 9.057 ( 5.159 2.101 -0.298) 5.579 9.097 ( 4.658 -2.234 -1.326) 5.334 9.201 ( -6.175 1.932 -3.305) 7.265 9.237 ( -7.315 -1.617 -2.160) 7.797 9.251 ( 3.539 2.711 -0.093) 4.459 9.259 ( 3.089 2.380 -1.592) 4.212 9.328 ( -2.450 1.841 -0.664) 3.136 9.357 ( -5.043 -0.822 0.964) 5.200 9.421 ( 3.835 1.745 0.404) 4.232 9.491 ( 4.773 -3.271 2.181) 6.184 9.552 ( -6.259 3.732 -0.432) 7.300 9.640 ( -4.929 -4.328 0.162) 6.562 9.736 ( 2.121 2.469 0.276) 3.267 9.819 ( -6.404 3.357 0.400) 7.241 9.830 ( -0.609 -4.770 -1.446) 5.021 9.885 ( -4.740 -0.996 1.332) 5.023 9.998 ( 0.002 5.867 1.511) 6.058 10.099 ( -7.196 10.017 3.568) 12.839 10.177 ( 6.554 -11.817 0.979) 13.548 10.350 ( -8.561 -15.704 0.990) 17.913 10.816 ( 6.482 13.939 -1.129) 15.413 11.005 ( -10.542 15.975 -1.655) 19.211 11.053 ( 8.454 -9.858 -1.380) 13.060 11.265 ( -11.100 -10.617 -2.366) 15.542 12.981 ( 14.162 4.591 -4.623) 15.589 13.076 ( 15.615 -4.514 -4.033) 16.747 13.110 ( 2.231 7.076 -3.339) 8.137 13.258 ( 1.911 3.684 -1.807) 4.527 13.274 ( -1.215 -6.275 -3.456) 7.266 13.407 ( 2.356 -8.680 -3.927) 9.814 13.433 ( -12.721 4.849 -8.773) 16.196 13.546 ( -11.696 -6.324 -8.365) 15.708 13.795 ( 11.593 8.147 -11.542) 18.276 13.915 ( 11.666 -4.046 -15.231) 19.608 13.995 ( 5.666 5.514 -9.671) 12.491 14.071 ( -6.192 6.521 -6.130) 10.882 14.125 ( -1.450 -4.810 -9.832) 11.041 14.176 ( 0.324 -1.921 -4.515) 4.917 14.259 ( -8.904 -1.113 -10.551) 13.851 14.343 ( -7.032 -6.834 -3.915) 10.558 15.166 ( 9.570 16.058 0.083) 18.694 15.369 ( -7.743 9.465 -2.013) 12.393 15.507 ( 2.509 -14.339 -0.237) 14.559 15.626 ( -7.222 -12.155 -0.915) 14.168 16.098 ( 11.860 9.100 -0.699) 14.965 16.219 ( 10.578 -1.339 -0.864) 10.698 16.351 ( -6.327 3.386 4.092) 8.261 16.471 ( -6.015 -6.952 2.836) 9.620 16.629 ( 4.337 2.627 4.834) 7.006 16.655 ( 1.655 1.297 4.473) 4.942 16.748 ( -3.684 -0.207 7.627) 8.473 16.784 ( -4.942 -2.975 6.828) 8.939 16.890 ( 2.246 4.926 10.807) 12.087 16.950 ( -1.498 3.839 11.913) 12.605 17.005 ( -0.176 -3.323 14.638) 15.012 17.067 ( -4.087 -4.824 14.311) 15.645 24.272 ( 1.370 8.463 -0.231) 8.577 24.297 ( -0.981 6.909 -0.043) 6.979 24.451 ( 0.148 -7.967 -0.557) 7.987 24.457 ( -0.488 -9.334 -0.984) 9.398 25.487 ( 3.886 2.113 -2.041) 4.871 25.523 ( 1.621 1.351 -0.920) 2.302 25.549 ( 1.792 -2.436 -1.113) 3.223 25.595 ( -1.179 -4.079 -0.620) 4.291 25.726 ( 1.112 3.659 -1.183) 4.003 25.744 ( -0.383 4.914 -1.888) 5.278 25.799 ( 1.381 -2.255 -1.239) 2.920 25.834 ( -1.077 -2.635 -1.958) 3.455 25.872 ( 2.193 6.034 -3.471) 7.298 25.920 ( -1.809 10.085 -3.183) 10.729 26.010 ( 5.993 -6.493 -5.673) 10.501 26.128 ( -4.622 -10.386 -7.230) 13.473 27.417 ( 2.104 7.113 -0.994) 7.484 27.469 ( -1.886 9.175 -0.311) 9.372 27.590 ( 3.068 -7.981 -1.018) 8.611 27.713 ( -7.310 -13.043 -2.647) 15.184 28.088 ( 8.633 8.842 -7.851) 14.641 28.227 ( 6.931 -0.413 -9.471) 11.744 28.267 ( -2.712 6.219 -9.857) 11.967 28.451 ( -8.165 -7.904 -13.294) 17.489 29.078 ( 0.450 1.089 -0.309) 1.218 29.096 ( 0.044 -0.590 0.256) 0.645 29.114 ( -2.942 1.171 1.515) 3.511 29.147 ( -4.876 -1.815 3.890) 6.497 30.093 ( 6.430 3.474 7.051) 10.155 30.162 ( 5.375 -3.172 9.039) 10.985 30.251 ( -8.130 4.060 10.793) 14.109 30.335 ( -10.433 -3.900 11.007) 15.660 ======================= Grid point 42 (17/40) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 0.000 32.040) 32.040 1.536 ( 0.000 0.000 31.992) 31.992 1.859 ( 0.000 0.000 13.825) 13.825 2.102 ( 0.000 0.000 6.900) 6.900 2.139 ( 0.000 0.000 19.839) 19.839 2.541 ( 0.000 0.000 18.361) 18.361 2.542 ( 0.000 0.000 9.956) 9.956 2.697 ( 0.000 0.000 21.808) 21.808 2.848 ( 0.000 0.000 43.870) 43.870 2.973 ( 0.000 0.000 14.930) 14.930 3.334 ( 0.000 0.000 10.830) 10.830 3.476 ( 0.000 0.000 -1.033) 1.033 3.547 ( 0.000 0.000 3.657) 3.657 3.573 ( 0.000 0.000 11.397) 11.397 3.588 ( 0.000 0.000 -11.461) 11.461 3.682 ( 0.000 0.000 8.780) 8.780 3.789 ( 0.000 0.000 1.724) 1.724 3.882 ( 0.000 0.000 -8.728) 8.728 3.887 ( 0.000 0.000 0.877) 0.877 4.004 ( 0.000 0.000 -3.087) 3.087 4.032 ( 0.000 0.000 0.055) 0.055 4.108 ( 0.000 0.000 4.893) 4.893 4.119 ( 0.000 0.000 -4.903) 4.903 4.279 ( 0.000 0.000 10.610) 10.610 4.310 ( 0.000 0.000 -3.922) 3.922 4.405 ( 0.000 0.000 4.533) 4.533 4.466 ( 0.000 0.000 -0.176) 0.176 4.707 ( 0.000 0.000 -6.443) 6.443 4.709 ( 0.000 0.000 0.983) 0.983 4.810 ( 0.000 0.000 4.133) 4.133 4.851 ( 0.000 0.000 -1.329) 1.329 4.926 ( 0.000 0.000 -5.484) 5.484 4.942 ( 0.000 0.000 -2.202) 2.202 5.067 ( 0.000 0.000 11.747) 11.747 5.069 ( 0.000 0.000 2.036) 2.036 5.169 ( 0.000 0.000 4.640) 4.640 5.220 ( 0.000 0.000 -0.297) 0.297 5.361 ( 0.000 0.000 6.272) 6.272 5.481 ( 0.000 0.000 4.546) 4.546 5.503 ( 0.000 0.000 4.044) 4.044 5.570 ( 0.000 0.000 6.314) 6.314 5.677 ( 0.000 0.000 -11.733) 11.733 5.680 ( 0.000 0.000 6.535) 6.535 5.828 ( 0.000 0.000 -0.525) 0.525 5.859 ( 0.000 0.000 14.835) 14.835 5.861 ( 0.000 0.000 -10.800) 10.800 5.867 ( 0.000 0.000 3.584) 3.584 5.942 ( 0.000 0.000 1.410) 1.410 6.191 ( 0.000 0.000 -7.446) 7.446 6.212 ( 0.000 0.000 0.724) 0.724 6.213 ( 0.000 0.000 2.630) 2.630 6.228 ( 0.000 0.000 9.874) 9.874 6.337 ( 0.000 0.000 2.824) 2.824 6.362 ( 0.000 0.000 -0.352) 0.352 6.543 ( 0.000 0.000 3.281) 3.281 6.571 ( 0.000 0.000 -12.711) 12.711 6.646 ( 0.000 0.000 -6.174) 6.174 6.946 ( 0.000 0.000 2.874) 2.874 6.975 ( 0.000 0.000 -3.159) 3.159 6.982 ( 0.000 0.000 8.154) 8.154 7.030 ( 0.000 0.000 0.977) 0.977 7.092 ( 0.000 0.000 3.329) 3.329 7.264 ( 0.000 0.000 3.367) 3.367 7.288 ( 0.000 0.000 6.250) 6.250 7.312 ( 0.000 0.000 4.473) 4.473 7.418 ( 0.000 0.000 -4.447) 4.447 7.482 ( 0.000 0.000 -7.341) 7.341 7.521 ( 0.000 0.000 11.032) 11.032 7.595 ( 0.000 0.000 6.581) 6.581 7.701 ( 0.000 0.000 2.994) 2.994 7.780 ( 0.000 0.000 -10.667) 10.667 7.868 ( 0.000 0.000 1.295) 1.295 8.176 ( 0.000 0.000 2.131) 2.131 8.196 ( 0.000 0.000 2.561) 2.561 8.212 ( 0.000 0.000 -5.317) 5.317 8.437 ( 0.000 0.000 0.080) 0.080 8.616 ( 0.000 0.000 -2.274) 2.274 8.623 ( 0.000 0.000 8.766) 8.766 8.644 ( 0.000 0.000 0.941) 0.941 8.825 ( 0.000 0.000 6.107) 6.107 9.093 ( 0.000 0.000 -1.787) 1.787 9.111 ( 0.000 0.000 2.979) 2.979 9.173 ( 0.000 0.000 3.407) 3.407 9.208 ( 0.000 0.000 -3.808) 3.808 9.268 ( 0.000 0.000 3.915) 3.915 9.384 ( 0.000 0.000 -4.727) 4.727 9.422 ( 0.000 0.000 0.101) 0.101 9.593 ( 0.000 0.000 2.405) 2.405 9.603 ( 0.000 0.000 1.018) 1.018 9.647 ( 0.000 0.000 -1.063) 1.063 9.659 ( 0.000 0.000 -1.588) 1.588 9.744 ( 0.000 0.000 4.196) 4.196 9.958 ( 0.000 0.000 0.734) 0.734 10.048 ( 0.000 0.000 -1.293) 1.293 10.090 ( 0.000 0.000 2.573) 2.573 10.226 ( 0.000 0.000 4.636) 4.636 10.478 ( 0.000 0.000 9.132) 9.132 10.540 ( 0.000 0.000 0.228) 0.228 10.578 ( 0.000 0.000 3.355) 3.355 10.868 ( 0.000 0.000 -0.174) 0.174 10.926 ( 0.000 0.000 -23.965) 23.965 10.990 ( 0.000 0.000 0.168) 0.168 11.092 ( 0.000 0.000 -8.054) 8.054 11.680 ( 0.000 0.000 -12.297) 12.297 12.059 ( 0.000 0.000 -2.820) 2.820 12.591 ( 0.000 0.000 4.976) 4.976 12.675 ( 0.000 0.000 -3.103) 3.103 12.892 ( 0.000 0.000 -12.092) 12.092 12.954 ( 0.000 0.000 -10.877) 10.877 13.031 ( 0.000 0.000 -1.767) 1.767 13.039 ( 0.000 0.000 -1.998) 1.998 13.276 ( 0.000 0.000 -2.591) 2.591 13.494 ( 0.000 0.000 6.861) 6.861 13.627 ( 0.000 0.000 -10.923) 10.923 13.685 ( 0.000 0.000 3.007) 3.007 13.961 ( 0.000 0.000 -11.676) 11.676 14.072 ( 0.000 0.000 -17.827) 17.827 14.126 ( 0.000 0.000 -7.560) 7.560 14.336 ( 0.000 0.000 -17.064) 17.064 14.516 ( 0.000 0.000 -4.521) 4.521 14.764 ( 0.000 0.000 6.367) 6.367 15.002 ( 0.000 0.000 -0.112) 0.112 15.551 ( 0.000 0.000 -9.281) 9.281 15.683 ( 0.000 0.000 -7.598) 7.598 15.911 ( 0.000 0.000 -4.717) 4.717 15.938 ( 0.000 0.000 -5.578) 5.578 16.304 ( 0.000 0.000 7.940) 7.940 16.345 ( 0.000 0.000 4.060) 4.060 16.624 ( 0.000 0.000 4.708) 4.708 16.692 ( 0.000 0.000 -0.505) 0.505 17.011 ( 0.000 0.000 0.420) 0.420 17.200 ( 0.000 0.000 -1.268) 1.268 17.388 ( 0.000 0.000 15.804) 15.804 17.459 ( 0.000 0.000 15.331) 15.331 17.536 ( 0.000 0.000 17.022) 17.022 17.687 ( 0.000 0.000 17.323) 17.323 24.066 ( 0.000 0.000 1.810) 1.810 24.273 ( 0.000 0.000 -0.197) 0.197 24.515 ( 0.000 0.000 -0.738) 0.738 24.559 ( 0.000 0.000 -5.836) 5.836 25.176 ( 0.000 0.000 5.078) 5.078 25.191 ( 0.000 0.000 4.557) 4.557 25.401 ( 0.000 0.000 1.301) 1.301 25.514 ( 0.000 0.000 -3.078) 3.078 25.533 ( 0.000 0.000 1.829) 1.829 25.582 ( 0.000 0.000 -0.397) 0.397 25.661 ( 0.000 0.000 0.225) 0.225 25.709 ( 0.000 0.000 -1.036) 1.036 25.778 ( 0.000 0.000 -1.901) 1.901 25.864 ( 0.000 0.000 2.338) 2.338 25.874 ( 0.000 0.000 -6.857) 6.857 25.993 ( 0.000 0.000 -2.483) 2.483 27.330 ( 0.000 0.000 -5.659) 5.659 27.348 ( 0.000 0.000 4.670) 4.670 27.556 ( 0.000 0.000 -4.232) 4.232 27.556 ( 0.000 0.000 -2.642) 2.642 27.596 ( 0.000 0.000 -6.635) 6.635 27.937 ( 0.000 0.000 -4.193) 4.193 28.332 ( 0.000 0.000 -11.886) 11.886 28.429 ( 0.000 0.000 -5.263) 5.263 28.997 ( 0.000 0.000 -5.303) 5.303 29.043 ( 0.000 0.000 -6.612) 6.612 29.201 ( 0.000 0.000 -15.937) 15.937 29.222 ( 0.000 0.000 -17.387) 17.387 30.194 ( 0.000 0.000 29.454) 29.454 30.755 ( 0.000 0.000 12.193) 12.193 31.166 ( 0.000 0.000 7.383) 7.383 31.328 ( 0.000 0.000 6.654) 6.654 ======================= Grid point 43 (18/40) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( 7.264 0.000 29.619) 30.496 1.655 ( 11.315 0.000 33.122) 35.002 2.039 ( 16.244 0.000 12.491) 20.491 2.224 ( 12.192 0.000 4.383) 12.956 2.267 ( -18.219 0.000 20.695) 27.572 2.311 ( 14.230 0.000 9.751) 17.251 2.622 ( 7.662 0.000 9.058) 11.864 2.840 ( 8.850 0.000 18.114) 20.160 2.991 ( 0.546 0.000 10.121) 10.136 3.050 ( 16.856 0.000 35.836) 39.602 3.249 ( -5.124 0.000 9.053) 10.402 3.398 ( -10.713 0.000 1.491) 10.816 3.535 ( -0.276 0.000 -1.065) 1.100 3.567 ( 0.079 0.000 1.092) 1.095 3.645 ( -6.469 0.000 2.632) 6.984 3.670 ( -5.011 0.000 9.848) 11.049 3.724 ( 8.881 0.000 -3.082) 9.401 3.823 ( 0.570 0.000 2.574) 2.637 3.904 ( -4.398 0.000 -0.790) 4.468 4.073 ( -1.087 0.000 2.036) 2.308 4.089 ( -1.338 0.000 1.983) 2.392 4.140 ( 4.975 0.000 -2.992) 5.806 4.185 ( -2.782 0.000 -3.294) 4.312 4.240 ( 3.808 0.000 8.348) 9.176 4.256 ( 4.607 0.000 -4.353) 6.338 4.394 ( -1.634 0.000 -0.419) 1.687 4.403 ( -1.674 0.000 0.868) 1.886 4.614 ( -11.961 0.000 -7.997) 14.388 4.658 ( -0.631 0.000 7.761) 7.786 4.817 ( -6.082 0.000 0.588) 6.110 4.884 ( 11.944 0.000 -4.238) 12.674 5.005 ( 6.865 0.000 -1.803) 7.098 5.021 ( 5.451 0.000 6.945) 8.829 5.055 ( 0.660 0.000 18.708) 18.720 5.118 ( 1.641 0.000 -0.016) 1.642 5.190 ( 4.378 0.000 7.453) 8.644 5.297 ( 4.511 0.000 4.210) 6.170 5.445 ( 8.068 0.000 -2.017) 8.316 5.486 ( 0.360 0.000 0.500) 0.616 5.534 ( 1.196 0.000 8.117) 8.204 5.585 ( 0.509 0.000 7.474) 7.492 5.666 ( 0.023 0.000 -0.932) 0.932 5.719 ( 3.700 0.000 -9.324) 10.031 5.756 ( -4.664 0.000 -8.442) 9.645 5.848 ( -0.554 0.000 16.934) 16.943 5.933 ( 5.113 0.000 -2.106) 5.530 5.975 ( 6.342 0.000 4.383) 7.709 5.982 ( 3.806 0.000 -3.001) 4.847 6.144 ( -4.769 0.000 3.514) 5.924 6.204 ( 2.009 0.000 -5.518) 5.872 6.254 ( 2.249 0.000 9.705) 9.962 6.267 ( 4.012 0.000 -1.303) 4.218 6.337 ( -1.752 0.000 -1.679) 2.427 6.360 ( 1.981 0.000 -0.344) 2.011 6.515 ( -1.887 0.000 4.223) 4.625 6.535 ( 1.234 0.000 -2.261) 2.576 6.704 ( 1.452 0.000 -8.096) 8.225 6.883 ( -4.788 0.000 2.663) 5.479 6.933 ( -2.035 0.000 -0.512) 2.098 6.973 ( -1.114 0.000 7.359) 7.443 7.051 ( 0.336 0.000 1.921) 1.951 7.120 ( -0.020 0.000 8.013) 8.013 7.256 ( -1.366 0.000 2.184) 2.576 7.276 ( 1.658 0.000 0.554) 1.748 7.313 ( 0.915 0.000 6.619) 6.682 7.363 ( -6.487 0.000 0.071) 6.488 7.447 ( 4.043 0.000 0.354) 4.059 7.573 ( -0.197 0.000 6.661) 6.664 7.619 ( 5.931 0.000 2.717) 6.524 7.818 ( 6.123 0.000 -2.127) 6.482 7.868 ( 3.098 0.000 -4.653) 5.590 7.936 ( 5.146 0.000 -3.457) 6.199 8.155 ( -0.330 0.000 2.902) 2.921 8.159 ( -1.381 0.000 5.880) 6.040 8.266 ( 2.462 0.000 -2.972) 3.859 8.347 ( -4.753 0.000 1.629) 5.025 8.541 ( -6.333 0.000 8.107) 10.287 8.672 ( -12.802 0.000 5.178) 13.809 8.712 ( 7.864 0.000 -4.052) 8.847 8.784 ( 10.046 0.000 -2.059) 10.255 8.997 ( -7.885 0.000 6.343) 10.119 9.090 ( 0.207 0.000 -2.238) 2.247 9.173 ( -5.679 0.000 5.017) 7.578 9.232 ( 1.815 0.000 -3.581) 4.015 9.248 ( -3.053 0.000 1.582) 3.438 9.316 ( 3.073 0.000 2.473) 3.944 9.360 ( -2.454 0.000 -1.787) 3.036 9.495 ( -13.227 0.000 0.063) 13.227 9.576 ( -3.757 0.000 -0.484) 3.788 9.614 ( -2.415 0.000 -0.184) 2.422 9.690 ( 2.726 0.000 0.327) 2.745 9.761 ( -1.580 0.000 1.547) 2.211 9.933 ( -8.562 0.000 -1.909) 8.772 9.967 ( 0.644 0.000 1.153) 1.321 9.980 ( -7.750 0.000 1.996) 8.003 10.179 ( -5.568 0.000 4.694) 7.283 10.406 ( -6.240 0.000 7.533) 9.781 10.474 ( -9.619 0.000 3.337) 10.182 10.495 ( -4.895 0.000 -0.312) 4.905 10.587 ( -11.534 0.000 -10.781) 15.788 10.950 ( -2.844 0.000 -3.322) 4.374 11.033 ( -5.939 0.000 -7.121) 9.273 11.083 ( 0.215 0.000 -5.732) 5.736 11.642 ( -4.555 0.000 -10.602) 11.539 12.178 ( 10.760 0.000 -3.491) 11.313 12.485 ( 1.126 0.000 4.145) 4.295 12.744 ( 5.953 0.000 -2.930) 6.635 12.919 ( 4.490 0.000 -9.515) 10.521 13.035 ( 6.426 0.000 -17.027) 18.199 13.127 ( 6.279 0.000 -4.773) 7.887 13.181 ( 8.931 0.000 -1.290) 9.023 13.398 ( 5.397 0.000 -4.322) 6.914 13.510 ( 1.619 0.000 4.429) 4.716 13.578 ( -4.282 0.000 -10.286) 11.141 13.782 ( 7.657 0.000 -1.244) 7.758 13.906 ( -4.219 0.000 -9.842) 10.709 14.033 ( -3.541 0.000 -16.442) 16.819 14.112 ( -1.437 0.000 -7.959) 8.087 14.296 ( -3.663 0.000 -15.721) 16.142 14.494 ( -2.004 0.000 -4.555) 4.976 14.786 ( 2.211 0.000 5.936) 6.334 15.166 ( 14.341 0.000 -1.915) 14.468 15.497 ( -4.588 0.000 -8.240) 9.431 15.739 ( 5.555 0.000 -6.853) 8.821 15.866 ( -4.195 0.000 -2.773) 5.029 15.926 ( -1.315 0.000 -5.078) 5.246 16.370 ( 6.099 0.000 7.389) 9.581 16.415 ( 6.078 0.000 4.207) 7.392 16.601 ( -0.986 0.000 4.982) 5.078 16.750 ( 3.817 0.000 1.045) 3.957 16.969 ( -3.908 0.000 0.726) 3.975 17.165 ( -3.694 0.000 1.374) 3.942 17.315 ( -6.143 0.000 16.209) 17.334 17.413 ( -4.391 0.000 14.902) 15.535 17.481 ( -3.721 0.000 17.760) 18.146 17.646 ( -3.867 0.000 16.701) 17.143 24.087 ( 1.930 0.000 1.492) 2.439 24.269 ( -0.380 0.000 -0.126) 0.401 24.514 ( -0.110 0.000 -0.800) 0.808 24.549 ( -0.817 0.000 -4.871) 4.939 25.215 ( 3.794 0.000 3.716) 5.310 25.309 ( 7.533 0.000 -1.181) 7.625 25.430 ( 2.465 0.000 0.226) 2.476 25.553 ( 3.422 0.000 -3.551) 4.931 25.574 ( 2.610 0.000 -1.515) 3.018 25.609 ( 3.297 0.000 -1.045) 3.459 25.662 ( 0.000 0.000 -0.304) 0.304 25.720 ( 1.053 0.000 -1.374) 1.731 25.775 ( -0.299 0.000 -2.197) 2.217 25.849 ( -1.092 0.000 0.821) 1.367 25.879 ( 0.047 0.000 -5.064) 5.064 26.021 ( 2.544 0.000 -4.634) 5.286 27.307 ( -0.453 0.000 -0.815) 0.932 27.404 ( 2.969 0.000 0.995) 3.131 27.545 ( 0.010 0.000 -4.046) 4.046 27.572 ( 1.898 0.000 -4.385) 4.778 27.673 ( 6.360 0.000 -7.023) 9.475 27.940 ( 0.105 0.000 -4.994) 4.995 28.245 ( -7.158 0.000 -8.948) 11.459 28.436 ( -0.455 0.000 -7.859) 7.872 28.988 ( -0.382 0.000 -5.480) 5.493 29.025 ( -0.958 0.000 -6.595) 6.664 29.214 ( 0.737 0.000 -11.511) 11.535 29.252 ( 2.037 0.000 -13.269) 13.425 30.177 ( -1.261 0.000 25.583) 25.614 30.702 ( -4.971 0.000 11.413) 12.449 30.937 ( -17.924 0.000 14.129) 22.823 31.194 ( -12.017 0.000 7.497) 14.164 ======================= Grid point 44 (19/40) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.615 ( 16.661 0.000 21.404) 27.125 1.943 ( -9.499 0.000 17.411) 19.833 1.997 ( 20.557 0.000 22.141) 30.213 2.451 ( 20.263 0.000 8.509) 21.978 2.575 ( 19.841 0.000 0.213) 19.842 2.655 ( 17.137 0.000 3.011) 17.399 2.842 ( -17.000 0.000 3.028) 17.267 2.857 ( 14.673 0.000 5.326) 15.610 3.031 ( -9.975 0.000 -5.393) 11.340 3.056 ( 0.307 0.000 19.612) 19.615 3.273 ( 6.816 0.000 8.701) 11.053 3.358 ( 2.296 0.000 7.880) 8.207 3.414 ( -11.603 0.000 3.650) 12.163 3.532 ( -0.244 0.000 -1.518) 1.538 3.543 ( 0.738 0.000 4.287) 4.350 3.633 ( 2.586 0.000 15.234) 15.452 3.757 ( -7.970 0.000 3.936) 8.889 3.817 ( -6.581 0.000 0.812) 6.631 3.830 ( -7.057 0.000 2.928) 7.641 3.972 ( 3.077 0.000 1.786) 3.558 3.989 ( -9.810 0.000 -3.331) 10.360 4.111 ( 4.818 0.000 2.495) 5.425 4.265 ( 1.806 0.000 4.394) 4.751 4.335 ( -6.486 0.000 -1.073) 6.574 4.352 ( 4.967 0.000 -3.135) 5.873 4.405 ( 1.996 0.000 -9.380) 9.590 4.451 ( 7.710 0.000 5.033) 9.207 4.462 ( 1.912 0.000 -2.542) 3.180 4.582 ( -4.455 0.000 7.189) 8.457 4.834 ( 5.297 0.000 10.329) 11.608 5.040 ( 0.554 0.000 8.004) 8.023 5.092 ( 3.619 0.000 -1.594) 3.954 5.146 ( 8.295 0.000 3.889) 9.162 5.180 ( 8.775 0.000 19.092) 21.012 5.183 ( 2.902 0.000 -4.505) 5.358 5.308 ( 4.186 0.000 11.957) 12.669 5.363 ( 1.045 0.000 6.397) 6.481 5.499 ( -0.961 0.000 -2.878) 3.034 5.561 ( 4.685 0.000 2.992) 5.559 5.570 ( 2.886 0.000 6.968) 7.543 5.623 ( 5.457 0.000 -3.327) 6.391 5.701 ( -1.053 0.000 -2.981) 3.162 5.708 ( 3.541 0.000 3.366) 4.886 5.777 ( 0.755 0.000 -5.803) 5.852 5.814 ( -1.358 0.000 12.398) 12.472 6.015 ( 1.765 0.000 2.261) 2.869 6.055 ( -2.210 0.000 8.856) 9.127 6.091 ( 3.525 0.000 0.488) 3.559 6.123 ( 9.559 0.000 -3.313) 10.117 6.178 ( -3.889 0.000 -3.554) 5.268 6.319 ( 4.039 0.000 7.065) 8.138 6.370 ( 6.467 0.000 2.991) 7.125 6.412 ( 6.604 0.000 1.048) 6.686 6.430 ( 3.305 0.000 -3.686) 4.951 6.543 ( 7.774 0.000 2.793) 8.261 6.570 ( -1.419 0.000 3.879) 4.131 6.717 ( 2.461 0.000 -1.830) 3.067 6.796 ( -2.538 0.000 2.056) 3.266 6.922 ( -4.111 0.000 8.583) 9.517 6.936 ( -2.297 0.000 4.516) 5.066 6.985 ( 2.101 0.000 5.545) 5.930 7.162 ( 2.837 0.000 1.527) 3.221 7.165 ( -7.038 0.000 -0.490) 7.055 7.276 ( -1.257 0.000 -1.008) 1.612 7.335 ( 2.125 0.000 1.778) 2.770 7.351 ( 0.765 0.000 7.344) 7.384 7.519 ( 2.295 0.000 10.098) 10.356 7.646 ( 6.072 0.000 -0.595) 6.101 7.713 ( 1.911 0.000 1.617) 2.504 7.842 ( -5.165 0.000 -4.790) 7.044 7.901 ( 2.701 0.000 -3.892) 4.737 7.957 ( -1.665 0.000 3.186) 3.594 8.113 ( -5.199 0.000 3.369) 6.195 8.210 ( 3.638 0.000 8.034) 8.820 8.244 ( -3.582 0.000 6.514) 7.434 8.294 ( -0.535 0.000 1.381) 1.481 8.382 ( -11.996 0.000 4.929) 12.969 8.469 ( -1.803 0.000 3.981) 4.370 8.864 ( -3.642 0.000 5.238) 6.380 8.893 ( 8.729 0.000 -5.307) 10.216 8.994 ( 7.753 0.000 -4.872) 9.156 9.022 ( -7.769 0.000 9.236) 12.069 9.099 ( -0.640 0.000 -0.529) 0.830 9.159 ( -4.477 0.000 -0.212) 4.482 9.204 ( -5.312 0.000 -3.503) 6.362 9.295 ( -1.217 0.000 -0.031) 1.217 9.330 ( -1.908 0.000 -1.178) 2.243 9.393 ( 1.476 0.000 0.537) 1.571 9.469 ( -4.253 0.000 -1.548) 4.526 9.547 ( -4.547 0.000 -0.300) 4.557 9.642 ( -9.175 0.000 -1.445) 9.288 9.686 ( -2.299 0.000 -1.115) 2.555 9.787 ( -2.680 0.000 -4.941) 5.621 9.821 ( -6.543 0.000 0.033) 6.543 9.935 ( -4.069 0.000 0.051) 4.069 10.025 ( -8.033 0.000 3.488) 8.758 10.199 ( -13.776 0.000 -1.398) 13.846 10.279 ( -4.706 0.000 2.058) 5.136 10.324 ( -9.898 0.000 3.784) 10.596 10.478 ( 0.636 0.000 -5.428) 5.465 10.845 ( -11.616 0.000 -5.776) 12.972 10.888 ( -4.429 0.000 -4.703) 6.460 11.021 ( -1.797 0.000 -0.053) 1.798 11.490 ( -9.235 0.000 -7.818) 12.100 12.467 ( 15.835 0.000 -4.904) 16.577 12.682 ( 14.741 0.000 -2.824) 15.009 12.886 ( 6.793 0.000 -2.208) 7.142 13.079 ( 8.335 0.000 -11.104) 13.884 13.229 ( 4.491 0.000 -3.849) 5.914 13.230 ( 10.060 0.000 -17.407) 20.105 13.316 ( 4.328 0.000 -1.513) 4.585 13.417 ( -9.156 0.000 -8.977) 12.823 13.457 ( 2.130 0.000 -5.974) 6.342 13.616 ( 6.212 0.000 -3.156) 6.968 13.705 ( -10.503 0.000 -9.838) 14.391 13.930 ( -5.963 0.000 -13.711) 14.952 13.971 ( 2.455 0.000 -9.636) 9.943 14.064 ( -3.190 0.000 -7.301) 7.968 14.216 ( -1.673 0.000 -7.829) 8.006 14.438 ( -3.229 0.000 -4.299) 5.376 14.866 ( 5.589 0.000 4.581) 7.226 15.379 ( -6.625 0.000 -5.923) 8.887 15.528 ( 18.769 0.000 -2.684) 18.960 15.768 ( -4.384 0.000 -0.823) 4.460 15.865 ( -4.385 0.000 -2.299) 4.951 15.917 ( 11.065 0.000 -5.276) 12.259 16.535 ( 8.937 0.000 6.589) 11.103 16.560 ( -4.422 0.000 4.999) 6.674 16.570 ( 8.095 0.000 5.514) 9.794 16.791 ( -3.966 0.000 -1.322) 4.181 16.882 ( -0.459 0.000 5.279) 5.298 17.071 ( -3.640 0.000 6.482) 7.434 17.171 ( -6.856 0.000 15.675) 17.109 17.284 ( -7.570 0.000 14.084) 15.990 17.420 ( -2.146 0.000 16.032) 16.175 17.544 ( -5.299 0.000 15.697) 16.567 24.138 ( 2.659 0.000 0.895) 2.805 24.256 ( -0.869 0.000 0.041) 0.870 24.512 ( -0.060 0.000 -1.029) 1.031 24.532 ( -0.773 0.000 -3.327) 3.416 25.317 ( 5.473 0.000 0.593) 5.505 25.432 ( 4.442 0.000 -1.096) 4.575 25.492 ( 3.343 0.000 -1.191) 3.549 25.602 ( 0.328 0.000 -3.363) 3.379 25.633 ( 3.444 0.000 -3.882) 5.189 25.657 ( -0.396 0.000 -1.658) 1.705 25.677 ( 1.174 0.000 -3.561) 3.749 25.765 ( -0.745 0.000 -2.908) 3.002 25.770 ( 3.620 0.000 -3.459) 5.007 25.831 ( -0.532 0.000 -1.299) 1.403 25.871 ( -0.067 0.000 -3.033) 3.034 26.069 ( 0.910 0.000 -8.609) 8.657 27.316 ( 1.274 0.000 0.521) 1.376 27.434 ( -0.314 0.000 2.359) 2.379 27.572 ( 2.821 0.000 -2.398) 3.702 27.653 ( 5.646 0.000 -8.116) 9.887 27.845 ( 9.544 0.000 -9.093) 13.182 27.931 ( -1.225 0.000 -6.970) 7.077 28.062 ( -9.810 0.000 -6.029) 11.514 28.386 ( -4.428 0.000 -10.851) 11.719 28.998 ( 1.502 0.000 -3.519) 3.826 29.031 ( 1.960 0.000 -3.082) 3.653 29.207 ( -1.806 0.000 -3.445) 3.890 29.273 ( -0.628 0.000 -5.632) 5.667 30.168 ( 1.106 0.000 16.860) 16.896 30.560 ( -8.114 0.000 9.693) 12.641 30.588 ( -12.632 0.000 16.310) 20.630 30.888 ( -15.685 0.000 8.882) 18.025 ======================= Grid point 45 (20/40) ======================= q-point: ( 0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( 11.608 0.000 6.030) 13.080 2.044 ( 20.612 0.000 12.271) 23.988 2.383 ( -21.577 0.000 2.183) 21.687 2.464 ( 22.605 0.000 7.752) 23.897 2.581 ( -23.321 0.000 5.354) 23.928 2.757 ( 4.423 0.000 1.477) 4.663 2.928 ( 8.707 0.000 3.310) 9.315 3.003 ( 6.983 0.000 7.906) 10.548 3.080 ( -2.160 0.000 -2.572) 3.359 3.174 ( 11.084 0.000 1.001) 11.129 3.279 ( 11.131 0.000 11.717) 16.161 3.333 ( 0.722 0.000 9.239) 9.267 3.428 ( 3.858 0.000 4.362) 5.823 3.477 ( -11.496 0.000 1.085) 11.547 3.508 ( -1.741 0.000 2.542) 3.081 3.589 ( -7.761 0.000 -2.287) 8.091 3.605 ( -9.252 0.000 3.968) 10.067 3.615 ( -9.654 0.000 0.849) 9.692 3.755 ( 6.379 0.000 4.045) 7.553 3.849 ( -2.943 0.000 0.473) 2.981 4.102 ( 5.917 0.000 -1.159) 6.030 4.149 ( -0.215 0.000 4.239) 4.244 4.209 ( -4.957 0.000 -1.521) 5.185 4.214 ( -5.574 0.000 1.188) 5.699 4.380 ( 4.893 0.000 1.972) 5.275 4.496 ( -4.467 0.000 -0.635) 4.512 4.525 ( 2.962 0.000 1.613) 3.373 4.552 ( 1.105 0.000 6.040) 6.140 4.669 ( 14.792 0.000 4.268) 15.395 4.889 ( -3.498 0.000 3.882) 5.226 5.076 ( 3.076 0.000 7.901) 8.479 5.133 ( 1.090 0.000 -3.971) 4.118 5.157 ( -3.749 0.000 11.219) 11.829 5.185 ( -2.802 0.000 -4.724) 5.492 5.360 ( 5.530 0.000 8.346) 10.012 5.374 ( 6.322 0.000 8.450) 10.553 5.399 ( 1.579 0.000 7.918) 8.074 5.502 ( -1.946 0.000 7.672) 7.915 5.656 ( -0.561 0.000 11.415) 11.429 5.661 ( 0.010 0.000 5.523) 5.523 5.670 ( 4.357 0.000 5.303) 6.863 5.711 ( 3.804 0.000 -2.757) 4.698 5.738 ( -1.766 0.000 1.284) 2.183 5.766 ( -0.939 0.000 2.185) 2.378 5.905 ( 10.889 0.000 8.954) 14.098 6.008 ( -0.184 0.000 2.337) 2.344 6.029 ( -1.591 0.000 7.215) 7.388 6.067 ( -3.534 0.000 -0.808) 3.625 6.159 ( 1.219 0.000 -0.781) 1.448 6.303 ( -11.345 0.000 6.134) 12.896 6.317 ( 6.102 0.000 3.089) 6.839 6.377 ( 0.129 0.000 5.822) 5.824 6.549 ( 8.991 0.000 2.346) 9.292 6.594 ( 11.689 0.000 2.379) 11.928 6.688 ( 0.894 0.000 3.070) 3.197 6.714 ( 4.027 0.000 6.490) 7.638 6.715 ( 1.582 0.000 5.705) 5.921 6.823 ( 0.226 0.000 4.270) 4.276 6.846 ( -4.912 0.000 6.120) 7.847 6.865 ( 7.427 0.000 -0.776) 7.467 7.012 ( -4.906 0.000 1.427) 5.110 7.115 ( 6.578 0.000 3.396) 7.403 7.199 ( -10.326 0.000 3.127) 10.789 7.264 ( -1.888 0.000 3.698) 4.152 7.362 ( 9.122 0.000 4.966) 10.386 7.377 ( 6.142 0.000 -4.959) 7.894 7.554 ( -2.083 0.000 5.510) 5.890 7.591 ( -11.709 0.000 -7.276) 13.786 7.732 ( 3.857 0.000 3.464) 5.184 7.822 ( 3.375 0.000 4.451) 5.586 7.882 ( -7.686 0.000 2.868) 8.204 7.904 ( -3.608 0.000 6.198) 7.172 8.037 ( 2.539 0.000 -1.084) 2.760 8.141 ( -6.394 0.000 4.270) 7.689 8.243 ( 1.306 0.000 6.684) 6.811 8.277 ( 2.588 0.000 3.827) 4.620 8.287 ( -1.692 0.000 5.113) 5.386 8.384 ( -5.930 0.000 4.431) 7.402 8.828 ( -0.058 0.000 6.974) 6.974 8.886 ( -4.944 0.000 9.391) 10.613 8.990 ( 0.889 0.000 -3.190) 3.312 9.034 ( 0.189 0.000 -5.600) 5.603 9.120 ( 1.521 0.000 -1.480) 2.123 9.162 ( 4.287 0.000 -2.549) 4.987 9.208 ( 2.435 0.000 -0.853) 2.580 9.223 ( -7.163 0.000 -1.600) 7.339 9.272 ( 0.381 0.000 -2.758) 2.784 9.369 ( -0.470 0.000 -4.372) 4.397 9.385 ( -7.097 0.000 -1.234) 7.204 9.449 ( -7.432 0.000 -3.916) 8.401 9.520 ( 5.756 0.000 -0.158) 5.759 9.692 ( -7.858 0.000 -2.350) 8.202 9.694 ( 3.821 0.000 -2.999) 4.857 9.810 ( -6.048 0.000 -1.547) 6.242 9.843 ( 5.078 0.000 -3.716) 6.293 9.922 ( 0.972 0.000 3.974) 4.091 9.981 ( -7.619 0.000 -2.038) 7.887 10.064 ( -10.940 0.000 2.454) 11.212 10.340 ( 8.000 0.000 0.006) 8.000 10.567 ( 6.946 0.000 -2.361) 7.336 10.577 ( -13.179 0.000 -4.068) 13.793 10.737 ( -8.605 0.000 -0.979) 8.660 11.088 ( 7.183 0.000 -5.198) 8.867 11.280 ( -10.328 0.000 -6.661) 12.290 12.803 ( 15.321 0.000 -6.461) 16.627 12.991 ( 1.277 0.000 -3.026) 3.284 13.018 ( 16.212 0.000 -5.771) 17.208 13.132 ( -1.369 0.000 -5.852) 6.010 13.190 ( -9.581 0.000 -7.151) 11.955 13.285 ( -6.016 0.000 -6.940) 9.184 13.394 ( 2.179 0.000 -4.082) 4.627 13.437 ( 12.384 0.000 -11.336) 16.790 13.477 ( -8.282 0.000 -6.645) 10.618 13.604 ( 11.862 0.000 -15.358) 19.405 13.661 ( -6.393 0.000 -14.112) 15.492 13.856 ( -10.717 0.000 -17.047) 20.136 13.866 ( 3.411 0.000 -4.840) 5.921 13.977 ( -5.174 0.000 -5.800) 7.772 14.273 ( 4.678 0.000 -1.887) 5.044 14.363 ( -3.883 0.000 -3.381) 5.149 15.020 ( 8.915 0.000 1.888) 9.113 15.215 ( -9.018 0.000 -2.151) 9.271 15.716 ( -0.026 0.000 0.032) 0.041 15.766 ( -4.293 0.000 -0.437) 4.315 15.911 ( 16.969 0.000 -1.473) 17.033 16.121 ( 2.767 0.000 -3.674) 4.599 16.435 ( -2.182 0.000 2.942) 3.662 16.594 ( -11.631 0.000 -0.830) 11.661 16.704 ( 6.003 0.000 6.588) 8.913 16.721 ( 4.926 0.000 6.650) 8.276 16.951 ( 4.372 0.000 7.226) 8.446 17.024 ( -2.182 0.000 7.279) 7.599 17.060 ( -2.435 0.000 14.338) 14.543 17.121 ( -7.106 0.000 13.513) 15.267 17.396 ( 0.364 0.000 15.480) 15.484 17.444 ( -3.908 0.000 14.972) 15.474 24.191 ( 2.304 0.000 0.466) 2.350 24.231 ( -1.549 0.000 0.229) 1.566 24.512 ( 0.155 0.000 -1.488) 1.496 24.519 ( -0.457 0.000 -2.218) 2.264 25.426 ( 4.636 0.000 -1.299) 4.815 25.487 ( -0.202 0.000 -0.858) 0.881 25.564 ( 3.328 0.000 -2.014) 3.890 25.609 ( 1.568 0.000 -3.831) 4.140 25.624 ( -2.200 0.000 -2.061) 3.015 25.663 ( -2.316 0.000 -2.559) 3.452 25.702 ( 2.479 0.000 -4.099) 4.790 25.742 ( -1.421 0.000 -3.609) 3.879 25.809 ( 0.432 0.000 -1.958) 2.005 25.818 ( -0.593 0.000 -3.521) 3.570 25.934 ( 5.295 0.000 -5.704) 7.783 26.037 ( -3.771 0.000 -8.460) 9.263 27.355 ( 2.315 0.000 1.587) 2.807 27.405 ( -2.144 0.000 2.276) 3.127 27.672 ( 6.784 0.000 -1.531) 6.954 27.779 ( 5.806 0.000 -9.483) 11.119 27.847 ( -9.572 0.000 -2.588) 9.916 27.880 ( -3.689 0.000 -8.890) 9.625 28.060 ( 9.940 0.000 -12.037) 15.611 28.253 ( -8.123 0.000 -12.583) 14.977 29.054 ( 3.725 0.000 -0.138) 3.727 29.107 ( 4.940 0.000 1.011) 5.042 29.140 ( -4.138 0.000 0.989) 4.255 29.215 ( -4.639 0.000 0.740) 4.697 30.237 ( 5.417 0.000 10.249) 11.592 30.384 ( -8.239 0.000 8.567) 11.886 30.463 ( 0.737 0.000 11.819) 11.841 30.596 ( -11.116 0.000 9.436) 14.581 ======================= Grid point 49 (21/40) ======================= q-point: ( 0.00 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.000 7.282 29.290) 30.181 1.644 ( 0.000 28.847 22.356) 36.495 1.773 ( 0.000 -8.333 21.128) 22.712 2.035 ( 0.000 -8.572 12.003) 14.749 2.132 ( 0.000 2.300 12.331) 12.544 2.323 ( 0.000 -17.271 9.769) 19.842 2.668 ( 0.000 9.955 17.307) 19.966 2.790 ( 0.000 1.394 15.798) 15.860 2.959 ( 0.000 11.799 43.503) 45.075 2.987 ( 0.000 5.824 16.554) 17.548 3.295 ( 0.000 -15.698 6.271) 16.904 3.351 ( 0.000 -17.898 18.056) 25.423 3.429 ( 0.000 3.989 13.387) 13.969 3.533 ( 0.000 -0.296 5.419) 5.427 3.633 ( 0.000 -0.656 5.497) 5.536 3.715 ( 0.000 -5.965 -3.036) 6.693 3.723 ( 0.000 9.116 4.636) 10.228 3.822 ( 0.000 -0.546 -8.977) 8.994 3.841 ( 0.000 -1.735 -9.004) 9.170 3.908 ( 0.000 -8.722 8.343) 12.070 4.036 ( 0.000 1.594 -6.705) 6.892 4.084 ( 0.000 -2.830 -4.545) 5.354 4.245 ( 0.000 10.090 -1.802) 10.250 4.292 ( 0.000 0.274 -1.044) 1.080 4.359 ( 0.000 -3.340 1.202) 3.550 4.392 ( 0.000 2.425 3.458) 4.224 4.584 ( 0.000 6.994 1.414) 7.135 4.638 ( 0.000 -2.446 4.309) 4.955 4.750 ( 0.000 1.977 -9.637) 9.837 4.785 ( 0.000 -0.558 -6.205) 6.230 4.819 ( 0.000 -3.653 2.416) 4.379 4.825 ( 0.000 -3.935 -2.971) 4.931 5.060 ( 0.000 3.604 -1.999) 4.121 5.100 ( 0.000 2.735 4.236) 5.043 5.166 ( 0.000 8.042 -2.390) 8.390 5.257 ( 0.000 -0.592 -3.945) 3.989 5.262 ( 0.000 -2.740 6.782) 7.315 5.320 ( 0.000 9.095 12.529) 15.482 5.385 ( 0.000 -8.166 -0.295) 8.171 5.436 ( 0.000 -3.231 11.970) 12.399 5.604 ( 0.000 3.850 4.566) 5.972 5.630 ( 0.000 -3.074 -2.902) 4.228 5.643 ( 0.000 -1.710 12.079) 12.200 5.768 ( 0.000 -6.857 7.159) 9.913 5.830 ( 0.000 0.767 -4.348) 4.415 5.844 ( 0.000 -0.499 -1.117) 1.224 6.008 ( 0.000 6.516 -1.109) 6.609 6.064 ( 0.000 4.253 5.708) 7.118 6.106 ( 0.000 -0.465 -0.045) 0.467 6.157 ( 0.000 0.075 -1.188) 1.190 6.219 ( 0.000 -2.928 -0.951) 3.079 6.231 ( 0.000 -4.569 3.763) 5.919 6.319 ( 0.000 -1.170 -1.848) 2.187 6.324 ( 0.000 -2.863 -4.197) 5.081 6.516 ( 0.000 6.745 -6.379) 9.284 6.634 ( 0.000 -3.257 -5.976) 6.806 6.753 ( 0.000 9.356 0.177) 9.358 6.905 ( 0.000 -6.166 5.321) 8.144 6.944 ( 0.000 -1.243 3.576) 3.786 6.956 ( 0.000 -2.241 6.456) 6.834 7.047 ( 0.000 -0.010 0.084) 0.084 7.069 ( 0.000 1.253 4.154) 4.339 7.221 ( 0.000 0.365 4.745) 4.759 7.281 ( 0.000 -1.691 3.153) 3.578 7.405 ( 0.000 4.012 4.258) 5.850 7.439 ( 0.000 0.560 -2.533) 2.594 7.491 ( 0.000 0.755 -6.374) 6.418 7.499 ( 0.000 -0.696 5.133) 5.180 7.586 ( 0.000 0.182 0.810) 0.830 7.633 ( 0.000 -4.371 -4.941) 6.597 7.833 ( 0.000 2.800 -0.580) 2.859 7.868 ( 0.000 -0.880 1.318) 1.585 8.168 ( 0.000 0.988 0.369) 1.054 8.200 ( 0.000 -1.596 -2.625) 3.072 8.293 ( 0.000 7.336 2.823) 7.861 8.399 ( 0.000 -3.077 2.084) 3.716 8.637 ( 0.000 1.707 0.381) 1.749 8.650 ( 0.000 0.223 1.465) 1.482 8.703 ( 0.000 5.220 5.293) 7.434 8.788 ( 0.000 -3.590 5.254) 6.364 9.102 ( 0.000 2.431 2.709) 3.640 9.155 ( 0.000 -2.015 3.108) 3.704 9.173 ( 0.000 4.960 -2.891) 5.741 9.224 ( 0.000 0.539 -3.448) 3.490 9.295 ( 0.000 3.070 3.704) 4.811 9.350 ( 0.000 -2.828 -2.921) 4.065 9.394 ( 0.000 -1.326 0.135) 1.333 9.483 ( 0.000 -9.408 3.151) 9.921 9.639 ( 0.000 2.982 0.991) 3.142 9.654 ( 0.000 0.304 -1.057) 1.100 9.659 ( 0.000 0.071 -1.334) 1.336 9.700 ( 0.000 -3.082 2.148) 3.757 9.963 ( 0.000 0.882 0.291) 0.929 10.001 ( 0.000 -2.979 -0.562) 3.031 10.176 ( 0.000 6.862 3.370) 7.645 10.311 ( 0.000 0.474 4.945) 4.968 10.366 ( 0.000 0.744 3.191) 3.276 10.554 ( 0.000 -0.585 0.792) 0.985 10.597 ( 0.000 -0.439 4.664) 4.685 10.626 ( 0.000 -14.052 1.472) 14.129 10.950 ( 0.000 1.769 -16.373) 16.468 10.975 ( 0.000 -0.830 -5.266) 5.331 11.335 ( 0.000 15.227 -8.500) 17.438 11.580 ( 0.000 -9.966 -11.036) 14.870 12.164 ( 0.000 10.430 -0.048) 10.430 12.410 ( 0.000 -14.038 4.533) 14.752 12.742 ( 0.000 5.406 -6.540) 8.485 12.859 ( 0.000 -6.584 -6.569) 9.301 12.939 ( 0.000 3.492 -8.549) 9.235 13.000 ( 0.000 -2.620 -7.410) 7.860 13.131 ( 0.000 5.888 -1.567) 6.093 13.230 ( 0.000 -4.281 -2.477) 4.946 13.543 ( 0.000 4.503 5.748) 7.302 13.631 ( 0.000 -3.665 1.352) 3.907 13.699 ( 0.000 5.451 -8.832) 10.379 13.839 ( 0.000 -8.360 -12.302) 14.874 14.172 ( 0.000 6.129 -15.827) 16.972 14.230 ( 0.000 4.351 -9.178) 10.157 14.323 ( 0.000 2.215 -14.847) 15.011 14.453 ( 0.000 -6.434 -6.052) 8.833 14.832 ( 0.000 6.180 3.490) 7.097 14.950 ( 0.000 -5.221 0.378) 5.235 15.585 ( 0.000 3.253 -8.605) 9.199 15.651 ( 0.000 -3.083 -7.800) 8.387 15.926 ( 0.000 1.215 -5.156) 5.298 15.940 ( 0.000 -0.069 -5.615) 5.615 16.303 ( 0.000 0.381 7.425) 7.435 16.326 ( 0.000 -1.671 5.361) 5.615 16.641 ( 0.000 1.530 3.733) 4.034 16.673 ( 0.000 -1.714 1.203) 2.094 17.033 ( 0.000 2.605 1.147) 2.846 17.117 ( 0.000 -5.995 1.268) 6.127 17.408 ( 0.000 1.962 16.270) 16.388 17.449 ( 0.000 -1.851 16.656) 16.758 17.583 ( 0.000 4.252 15.542) 16.113 17.657 ( 0.000 -3.072 16.646) 16.927 24.218 ( 0.000 13.235 -3.361) 13.655 24.324 ( 0.000 4.875 -0.623) 4.915 24.449 ( 0.000 -5.963 -0.410) 5.977 24.464 ( 0.000 -9.536 -5.941) 11.235 25.179 ( 0.000 0.274 5.028) 5.035 25.186 ( 0.000 -0.419 4.767) 4.785 25.413 ( 0.000 1.477 0.908) 1.734 25.460 ( 0.000 -3.415 -0.725) 3.491 25.561 ( 0.000 2.315 1.113) 2.569 25.594 ( 0.000 -0.653 -0.323) 0.728 25.678 ( 0.000 1.555 0.207) 1.569 25.700 ( 0.000 -0.480 -0.938) 1.054 25.824 ( 0.000 2.421 -1.786) 3.008 25.856 ( 0.000 -1.561 -4.944) 5.184 25.877 ( 0.000 2.673 -0.095) 2.675 25.953 ( 0.000 -3.851 -2.031) 4.354 27.339 ( 0.000 0.752 -4.350) 4.414 27.350 ( 0.000 -0.188 0.143) 0.236 27.546 ( 0.000 -0.099 -5.016) 5.017 27.551 ( 0.000 -0.423 -4.609) 4.628 27.691 ( 0.000 8.229 -4.287) 9.278 27.855 ( 0.000 -7.742 -4.906) 9.166 28.364 ( 0.000 2.668 -9.366) 9.739 28.410 ( 0.000 -1.891 -6.328) 6.605 29.007 ( 0.000 1.001 -5.635) 5.723 29.029 ( 0.000 -1.200 -6.287) 6.400 29.208 ( 0.000 0.605 -16.337) 16.348 29.218 ( 0.000 -0.416 -17.062) 17.068 30.296 ( 0.000 10.480 27.700) 29.617 30.559 ( 0.000 -15.688 20.448) 25.773 31.238 ( 0.000 4.751 5.718) 7.434 31.306 ( 0.000 -2.397 6.147) 6.598 ======================= Grid point 50 (22/40) ======================= q-point: ( 0.14 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 0.638 15.051 28.911) 32.601 1.816 ( 13.097 17.233 24.737) 32.870 1.846 ( 3.507 -12.155 23.742) 26.901 2.160 ( 11.917 -8.715 7.704) 16.653 2.246 ( 9.804 1.799 6.407) 11.849 2.383 ( 7.392 -13.541 9.063) 17.892 2.602 ( 1.043 15.328 15.233) 21.635 2.862 ( 4.727 -9.632 10.637) 15.108 3.031 ( 5.280 12.660 13.279) 19.092 3.168 ( 14.155 12.218 30.381) 35.674 3.294 ( -1.275 -6.176 11.610) 13.212 3.349 ( -3.297 0.484 2.983) 4.473 3.449 ( -2.028 -10.230 9.502) 14.109 3.509 ( 0.585 -7.992 8.901) 11.977 3.593 ( -4.198 -0.430 5.899) 7.253 3.658 ( 0.024 -1.947 4.659) 5.050 3.735 ( -2.983 4.856 0.569) 5.727 3.814 ( 1.874 -0.122 -2.292) 2.963 3.865 ( -1.686 -2.991 -0.719) 3.508 3.915 ( 2.339 -8.372 4.660) 9.863 4.085 ( 2.905 0.191 -3.743) 4.742 4.136 ( 4.136 -4.269 -5.812) 8.313 4.200 ( -6.805 2.594 -0.711) 7.317 4.228 ( -6.255 3.964 -2.668) 7.871 4.306 ( -1.147 -3.398 1.290) 3.812 4.384 ( -0.618 -0.593 2.052) 2.224 4.506 ( -1.864 6.820 4.178) 8.212 4.537 ( -4.875 1.830 -3.392) 6.214 4.708 ( 0.057 1.509 0.056) 1.511 4.805 ( 2.826 -4.466 -6.934) 8.719 4.892 ( 0.422 0.373 5.881) 5.908 4.956 ( 3.151 -3.925 2.998) 5.858 5.053 ( 3.279 6.167 1.199) 7.087 5.131 ( 3.905 3.384 5.802) 7.769 5.176 ( 1.518 2.488 0.615) 2.979 5.245 ( -0.952 -4.468 0.868) 4.650 5.358 ( 6.725 9.325 5.054) 12.559 5.374 ( 6.245 2.366 7.136) 9.773 5.450 ( 4.731 -6.658 0.520) 8.184 5.498 ( 6.171 -0.456 4.675) 7.756 5.617 ( -1.351 0.093 11.427) 11.507 5.630 ( 0.208 -1.943 -0.974) 2.183 5.670 ( 4.423 -1.414 -0.789) 4.710 5.750 ( -0.892 -4.430 5.275) 6.946 5.830 ( -0.165 2.189 -2.817) 3.571 5.890 ( 4.126 -2.716 -1.793) 5.255 6.046 ( 1.444 2.172 1.826) 3.184 6.071 ( 1.305 4.191 6.268) 7.652 6.097 ( -0.481 -1.693 -1.960) 2.635 6.143 ( -0.887 0.301 -1.309) 1.609 6.237 ( 1.966 -2.085 -0.343) 2.886 6.274 ( 2.387 -4.706 -0.878) 5.349 6.344 ( 2.047 0.616 -2.043) 2.957 6.360 ( 4.019 -0.715 -0.768) 4.154 6.472 ( -1.755 5.803 -2.538) 6.572 6.575 ( -2.985 -2.097 0.138) 3.651 6.803 ( 0.728 6.221 -0.379) 6.275 6.878 ( -3.547 -2.059 6.110) 7.359 6.912 ( -0.509 0.162 2.421) 2.480 6.975 ( 1.566 -2.289 5.515) 6.173 7.051 ( -0.930 -0.600 2.121) 2.392 7.076 ( 1.643 0.540 1.364) 2.202 7.184 ( -2.446 -0.657 3.902) 4.652 7.262 ( -1.787 -5.241 2.905) 6.253 7.379 ( -1.631 4.531 3.892) 6.192 7.412 ( -1.223 3.078 0.031) 3.312 7.489 ( 2.753 1.950 1.977) 3.910 7.517 ( 2.543 -2.898 4.606) 6.007 7.643 ( 4.888 2.326 -0.640) 5.451 7.732 ( 4.996 -6.334 -4.474) 9.225 7.927 ( 5.434 4.252 -1.461) 7.053 7.970 ( 5.654 1.252 -2.067) 6.149 8.104 ( -3.505 -1.357 2.933) 4.768 8.135 ( -4.638 -4.504 0.624) 6.496 8.315 ( 0.112 7.220 3.026) 7.829 8.408 ( 0.092 0.189 2.656) 2.664 8.592 ( -5.840 4.329 5.434) 9.077 8.661 ( -8.747 -1.229 3.844) 9.633 8.701 ( 2.931 -0.020 0.680) 3.009 8.754 ( 6.208 -2.844 -0.473) 6.845 9.044 ( -4.141 3.852 3.294) 6.545 9.099 ( -3.517 -0.829 0.407) 3.636 9.179 ( -2.207 2.462 0.662) 3.372 9.237 ( -0.930 -1.440 -2.729) 3.223 9.260 ( 0.741 2.074 1.073) 2.450 9.298 ( 2.123 -1.756 2.343) 3.617 9.380 ( -2.005 3.055 -0.970) 3.781 9.474 ( -8.437 -3.961 0.029) 9.320 9.562 ( -3.736 -0.809 1.014) 3.955 9.581 ( -5.100 -2.154 -0.123) 5.537 9.705 ( 1.848 1.642 0.151) 2.477 9.740 ( 0.530 -1.758 1.156) 2.170 9.873 ( -8.321 -1.799 -0.243) 8.516 9.901 ( -4.990 -3.803 -1.042) 6.360 10.091 ( -5.630 7.409 1.506) 9.427 10.251 ( -5.031 -5.204 3.233) 7.927 10.275 ( -8.243 3.094 2.215) 9.079 10.420 ( -11.132 -6.663 0.239) 12.976 10.536 ( -4.082 3.659 2.301) 5.945 10.603 ( -4.324 -1.793 2.174) 5.161 10.915 ( -5.698 -1.548 -10.563) 12.101 10.934 ( -3.110 -1.851 -5.076) 6.234 11.314 ( -3.474 13.789 -7.094) 15.891 11.544 ( -4.311 -9.639 -9.409) 14.142 12.253 ( 8.937 7.144 -1.664) 11.562 12.404 ( 4.322 -7.473 2.030) 8.868 12.808 ( 6.007 6.163 -4.207) 9.579 12.929 ( 5.027 -3.248 -5.782) 8.322 12.994 ( 6.844 -0.036 -14.359) 15.907 13.060 ( 6.695 -4.705 -6.561) 10.488 13.231 ( 5.377 4.407 -3.587) 7.823 13.328 ( 4.956 -5.461 -3.928) 8.355 13.592 ( 4.131 6.700 2.607) 8.292 13.631 ( -3.958 4.664 -10.805) 12.416 13.732 ( 6.298 -4.296 0.513) 7.641 13.787 ( -4.157 -8.243 -10.111) 13.692 14.128 ( -4.018 6.069 -15.108) 16.770 14.196 ( -3.106 2.378 -9.550) 10.320 14.288 ( -3.185 3.387 -13.159) 13.956 14.426 ( -2.442 -6.810 -5.929) 9.354 14.881 ( 4.529 8.806 3.281) 10.432 15.063 ( 9.623 -9.120 -0.512) 13.268 15.574 ( -0.842 6.404 -7.934) 10.231 15.689 ( 3.282 -4.979 -7.325) 9.445 15.887 ( -2.984 1.823 -3.141) 4.700 15.917 ( -1.546 -1.043 -4.292) 4.680 16.373 ( 6.195 0.567 6.985) 9.354 16.395 ( 5.953 -1.592 5.464) 8.236 16.647 ( 0.968 4.039 3.542) 5.459 16.721 ( 3.307 -3.055 1.636) 4.790 16.993 ( -3.804 2.773 1.774) 5.031 17.081 ( -3.637 -6.171 2.798) 7.691 17.345 ( -5.214 2.865 16.532) 17.570 17.406 ( -3.520 -2.729 16.536) 17.126 17.521 ( -5.138 4.775 15.977) 17.449 17.609 ( -4.343 -3.704 16.359) 17.326 24.216 ( 0.234 11.674 -1.570) 11.782 24.322 ( -0.264 4.975 -0.522) 5.010 24.447 ( -0.221 -6.264 -0.600) 6.296 24.448 ( -1.057 -9.580 -3.863) 10.383 25.236 ( 4.664 2.081 2.370) 5.631 25.283 ( 6.485 -2.447 -0.265) 6.936 25.450 ( 3.134 2.067 -0.127) 3.756 25.499 ( 3.261 -2.975 -1.243) 4.586 25.600 ( 3.394 1.019 -1.651) 3.909 25.617 ( 1.946 -0.353 -1.107) 2.266 25.685 ( 0.783 2.008 -0.460) 2.204 25.708 ( 0.875 -0.282 -1.414) 1.687 25.825 ( -0.182 1.644 -1.553) 2.269 25.856 ( -0.325 -1.960 -4.479) 4.900 25.871 ( -0.241 4.371 -1.088) 4.511 25.972 ( 1.706 -4.767 -3.447) 6.125 27.330 ( 0.159 2.187 -1.691) 2.769 27.377 ( 1.777 -2.434 -1.251) 3.263 27.586 ( 4.269 2.199 -5.932) 7.632 27.602 ( 2.690 1.649 -4.676) 5.641 27.694 ( 1.628 4.488 -5.012) 6.922 27.841 ( -1.424 -8.496 -4.930) 9.925 28.310 ( -4.448 5.212 -8.140) 10.640 28.399 ( -1.582 -3.657 -7.798) 8.757 28.997 ( -0.489 0.818 -5.741) 5.820 29.015 ( -0.770 -0.933 -6.285) 6.400 29.224 ( 1.009 0.947 -12.063) 12.142 29.243 ( 1.664 -0.845 -12.924) 13.058 30.268 ( -2.207 9.361 24.473) 26.296 30.504 ( -4.876 -14.354 19.392) 24.614 31.056 ( -14.792 7.243 9.089) 18.812 31.159 ( -12.782 -3.662 7.590) 15.310 ======================= Grid point 51 (23/40) ======================= q-point: ( 0.29 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 10.122 5.998 22.930) 25.773 1.825 ( -0.347 -8.707 20.601) 22.369 2.175 ( 19.403 17.165 16.497) 30.712 2.502 ( 16.866 -10.775 7.324) 21.312 2.545 ( 18.685 4.217 1.796) 19.239 2.646 ( 13.962 -10.373 3.363) 17.716 2.764 ( 12.947 11.778 6.429) 18.646 2.916 ( -6.109 1.437 5.366) 8.257 3.073 ( -18.534 2.881 -1.313) 18.803 3.154 ( -3.595 -5.371 8.363) 10.570 3.196 ( 9.716 8.646 7.658) 15.093 3.343 ( -3.490 -5.828 3.276) 7.542 3.397 ( -9.840 -0.634 3.933) 10.616 3.493 ( 0.757 -6.404 0.737) 6.491 3.599 ( 9.008 6.144 13.537) 17.383 3.680 ( 1.146 7.742 7.031) 10.521 3.755 ( -8.032 -0.089 1.998) 8.278 3.788 ( -1.340 -2.390 5.068) 5.762 3.797 ( -3.808 -3.736 4.787) 7.167 3.905 ( -0.832 -8.209 9.740) 12.765 4.033 ( -4.675 3.022 -3.382) 6.514 4.048 ( 1.371 -1.745 0.374) 2.250 4.174 ( -3.214 -3.253 -0.962) 4.673 4.242 ( -0.313 -7.827 -3.198) 8.461 4.346 ( 5.495 0.521 -1.056) 5.619 4.401 ( 4.785 -2.639 -3.562) 6.523 4.478 ( -0.747 5.191 0.865) 5.315 4.540 ( 3.706 3.258 4.419) 6.624 4.742 ( -1.461 10.892 4.233) 11.776 4.809 ( 3.884 1.193 9.852) 10.657 4.942 ( 1.391 -9.321 0.808) 9.459 4.993 ( 3.027 -10.238 9.098) 14.027 5.123 ( 2.888 1.730 1.494) 3.683 5.155 ( 0.272 7.950 7.879) 11.196 5.222 ( 0.107 -7.338 3.460) 8.114 5.282 ( 2.018 -3.201 8.944) 9.711 5.479 ( 2.688 4.734 8.769) 10.322 5.489 ( 3.059 5.358 2.835) 6.790 5.577 ( 1.837 2.215 1.583) 3.285 5.609 ( 8.441 2.744 1.042) 8.937 5.645 ( 3.968 -2.269 -5.567) 7.203 5.682 ( 4.743 -0.915 3.700) 6.085 5.751 ( 4.787 0.262 6.056) 7.723 5.786 ( 4.780 -1.728 3.358) 6.092 5.852 ( 2.594 7.047 -5.148) 9.104 5.960 ( 1.796 -3.616 -0.709) 4.099 6.064 ( 1.231 0.120 5.466) 5.604 6.068 ( -0.942 3.433 3.133) 4.743 6.103 ( -2.270 -4.874 0.342) 5.388 6.172 ( 4.094 -3.134 0.193) 5.160 6.253 ( 1.037 -1.841 0.053) 2.114 6.304 ( 1.332 -6.421 -2.101) 6.886 6.407 ( 4.406 4.561 2.226) 6.721 6.483 ( 7.082 -0.756 2.220) 7.460 6.532 ( 5.671 2.123 1.758) 6.306 6.575 ( 4.714 -1.108 4.983) 6.948 6.789 ( -1.679 3.600 4.463) 5.974 6.810 ( -0.653 0.019 4.899) 4.942 6.915 ( -2.326 0.584 3.361) 4.129 6.956 ( -1.669 0.230 3.128) 3.553 7.034 ( 1.789 5.060 3.431) 6.370 7.117 ( -0.425 -3.462 -1.787) 3.919 7.146 ( -0.494 0.371 2.827) 2.894 7.218 ( -1.085 -4.822 1.889) 5.292 7.377 ( -0.191 3.196 8.937) 9.493 7.407 ( -0.268 1.560 4.962) 5.209 7.556 ( 4.005 3.851 2.101) 5.940 7.618 ( 4.909 -2.197 -1.320) 5.538 7.724 ( 0.910 1.026 -0.590) 1.493 7.780 ( 0.329 -4.733 -4.146) 6.300 7.935 ( -2.508 4.535 -0.281) 5.190 8.010 ( -1.103 3.855 3.648) 5.421 8.059 ( -2.257 -6.244 1.045) 6.721 8.093 ( -0.524 -6.077 4.742) 7.726 8.240 ( -6.360 2.168 8.155) 10.566 8.293 ( -8.551 -2.388 7.468) 11.601 8.510 ( -1.646 9.676 1.524) 9.932 8.605 ( 1.199 10.432 3.908) 11.205 8.716 ( -0.878 -8.089 3.946) 9.043 8.841 ( -0.615 -10.420 4.435) 11.341 9.023 ( 2.315 5.607 -1.958) 6.374 9.077 ( -1.086 -0.813 0.120) 1.362 9.133 ( -1.336 3.961 -0.810) 4.258 9.180 ( -1.867 0.163 -2.271) 2.944 9.211 ( -5.418 3.026 -2.123) 6.559 9.284 ( -2.884 -2.049 -1.649) 3.903 9.345 ( -1.018 1.542 -0.519) 1.919 9.376 ( -0.002 -1.188 0.433) 1.265 9.478 ( -2.229 0.877 -0.267) 2.410 9.524 ( -2.938 -3.067 0.188) 4.251 9.654 ( -7.786 0.131 -1.641) 7.958 9.670 ( -3.411 -1.185 -1.162) 3.793 9.731 ( -3.501 0.858 -3.139) 4.780 9.814 ( -4.150 -5.030 -2.477) 6.976 9.973 ( -5.699 6.132 -0.593) 8.392 10.069 ( -10.110 1.482 1.354) 10.308 10.145 ( -6.579 -5.133 -1.903) 8.559 10.176 ( -7.713 -4.738 4.142) 9.954 10.373 ( -10.367 6.039 1.290) 12.067 10.510 ( -4.525 -5.418 0.677) 7.091 10.758 ( -5.873 4.820 -5.074) 9.136 10.899 ( 0.614 -6.493 -4.528) 7.939 11.171 ( -9.376 13.194 -4.294) 16.746 11.396 ( -9.282 -9.397 -6.937) 14.919 12.519 ( 15.358 4.947 -4.468) 16.742 12.624 ( 14.759 -5.288 -3.578) 16.081 12.955 ( 6.997 6.774 -2.720) 10.112 13.095 ( 9.340 -3.936 -5.241) 11.410 13.146 ( 5.242 -0.098 -12.270) 13.343 13.225 ( 7.701 -5.203 -8.503) 12.596 13.313 ( 4.308 3.939 -7.049) 9.152 13.400 ( 3.546 -4.676 -6.541) 8.788 13.477 ( -9.334 5.616 -9.703) 14.587 13.601 ( -8.885 -6.284 -10.361) 15.026 13.741 ( 5.095 7.928 -2.719) 9.809 13.892 ( 4.635 -6.437 -6.384) 10.182 14.014 ( -6.412 5.503 -12.431) 15.031 14.111 ( -3.855 -2.345 -7.894) 9.093 14.202 ( -4.569 5.550 -8.559) 11.177 14.358 ( -3.906 -7.645 -5.277) 10.078 15.008 ( 7.227 12.879 2.300) 14.946 15.269 ( 7.900 -12.590 -1.559) 14.945 15.547 ( -2.594 6.424 -4.880) 8.474 15.713 ( -3.208 -9.469 -4.692) 11.044 15.880 ( 4.471 6.304 -1.257) 7.830 15.954 ( 7.834 -0.651 -2.610) 8.283 16.528 ( 5.746 -0.512 6.639) 8.795 16.530 ( 5.966 -0.620 6.193) 8.622 16.655 ( 0.002 5.862 2.879) 6.530 16.755 ( -2.140 -3.937 0.034) 4.481 16.905 ( -2.364 2.719 5.250) 6.368 16.989 ( -3.677 -5.799 6.486) 9.445 17.230 ( -4.951 5.300 15.717) 17.310 17.328 ( -3.890 -1.897 15.134) 15.741 17.399 ( -5.748 2.763 15.526) 16.785 17.496 ( -5.887 -4.700 15.519) 17.251 24.235 ( 1.435 9.258 -0.373) 9.376 24.313 ( -0.589 5.478 -0.274) 5.516 24.432 ( -0.362 -9.267 -2.185) 9.528 24.442 ( -0.282 -6.432 -0.589) 6.465 25.342 ( 5.163 2.448 -0.545) 5.740 25.398 ( 4.708 -3.094 -1.961) 5.965 25.515 ( 2.306 2.418 -0.402) 3.365 25.566 ( 2.403 -2.554 -1.551) 3.834 25.652 ( 1.185 0.540 -3.282) 3.531 25.658 ( 1.318 -0.150 -4.721) 4.904 25.716 ( 1.892 4.182 -3.388) 5.705 25.757 ( 3.796 -0.512 -2.821) 4.757 25.812 ( -0.590 -0.447 -0.690) 1.012 25.835 ( -1.457 -2.246 -3.936) 4.760 25.871 ( -0.050 6.261 -2.870) 6.888 26.004 ( 0.540 -6.194 -6.383) 8.910 27.353 ( 1.996 3.513 -0.301) 4.051 27.426 ( 2.976 -3.051 -0.271) 4.271 27.589 ( -2.576 5.671 -1.935) 6.522 27.703 ( 4.910 0.380 -7.250) 8.764 27.793 ( -0.134 -5.165 -5.036) 7.215 27.821 ( 7.338 -3.584 -8.924) 12.096 28.195 ( -6.278 8.574 -8.136) 13.383 28.333 ( -4.884 -5.457 -10.004) 12.398 29.005 ( 1.593 0.771 -3.473) 3.898 29.022 ( 1.821 -0.854 -3.254) 3.825 29.223 ( -1.599 1.553 -4.050) 4.623 29.256 ( -1.015 -1.634 -5.131) 5.480 30.235 ( -0.076 6.665 16.852) 18.123 30.395 ( -4.114 -9.544 15.684) 18.815 30.730 ( -14.751 7.321 10.414) 19.485 30.844 ( -15.729 -4.429 9.108) 18.707 ======================= Grid point 52 (24/40) ======================= q-point: ( 0.43 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 85 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.976 ( 15.870 2.416 7.977) 17.925 2.025 ( 21.034 -2.206 11.342) 23.999 2.427 ( -22.844 4.299 0.506) 23.250 2.480 ( -9.718 -0.426 4.988) 10.932 2.670 ( 3.866 9.034 6.409) 11.732 2.821 ( 5.968 1.194 3.143) 6.850 2.884 ( 5.920 -1.885 2.464) 6.684 2.962 ( 6.077 -4.422 4.237) 8.628 3.117 ( 15.585 1.177 3.247) 15.963 3.139 ( 0.670 4.061 4.359) 5.995 3.262 ( 2.073 -3.398 6.208) 7.375 3.305 ( 3.428 -8.443 1.711) 9.272 3.384 ( 0.461 2.427 5.362) 5.903 3.443 ( -5.386 -0.915 6.183) 8.250 3.515 ( -11.396 1.226 4.123) 12.181 3.545 ( -10.050 -3.136 3.366) 11.053 3.661 ( -0.635 4.014 2.759) 4.912 3.701 ( 0.856 3.697 1.568) 4.106 3.845 ( 0.854 3.948 2.341) 4.668 3.883 ( -3.319 -4.471 3.770) 6.725 4.005 ( 0.372 4.360 -1.962) 4.796 4.043 ( -2.603 4.533 -2.667) 5.868 4.194 ( 5.080 -9.011 -1.003) 10.392 4.258 ( 1.146 -8.171 -4.595) 9.445 4.384 ( 2.238 3.961 3.638) 5.825 4.466 ( -2.077 2.888 5.041) 6.170 4.500 ( 2.803 -3.132 1.143) 4.356 4.577 ( -2.533 -1.778 4.664) 5.597 4.789 ( 7.382 9.067 2.840) 12.032 4.893 ( 1.283 0.529 6.958) 7.096 4.954 ( -0.512 -8.015 -0.764) 8.068 4.989 ( -3.344 -8.803 1.538) 9.541 5.171 ( 1.279 3.886 12.043) 12.719 5.177 ( 1.494 2.262 9.424) 9.806 5.249 ( 3.033 -6.029 13.383) 14.989 5.291 ( -0.541 -4.978 11.480) 12.525 5.516 ( 2.231 2.622 2.733) 4.395 5.544 ( 4.185 -1.497 4.243) 6.145 5.594 ( -2.069 -0.426 4.485) 4.958 5.626 ( -1.818 -2.838 1.536) 3.704 5.757 ( 5.062 6.318 3.111) 8.673 5.798 ( 3.998 3.931 1.461) 5.794 5.838 ( -0.128 5.754 1.305) 5.902 5.857 ( -2.695 8.352 1.001) 8.832 5.916 ( 6.169 -0.109 4.454) 7.610 5.995 ( -0.792 -3.076 1.303) 3.433 6.020 ( -1.869 -2.909 -0.665) 3.521 6.055 ( -2.004 -6.494 -1.389) 6.937 6.101 ( 5.545 8.435 6.583) 12.051 6.243 ( -3.194 -2.595 5.279) 6.693 6.285 ( 2.207 -4.825 5.376) 7.553 6.309 ( 0.566 -6.713 7.431) 10.030 6.558 ( 8.305 1.980 4.111) 9.476 6.595 ( 5.985 -2.389 5.386) 8.398 6.699 ( -1.992 2.293 3.775) 4.845 6.728 ( 9.291 6.154 2.573) 11.437 6.749 ( -6.194 -3.327 5.885) 9.168 6.799 ( 10.334 1.244 3.169) 10.880 6.921 ( 2.526 4.879 2.978) 6.250 6.967 ( 4.248 2.223 4.692) 6.708 7.009 ( -6.510 1.744 -0.099) 6.741 7.062 ( 1.134 -3.591 1.236) 3.963 7.191 ( -7.650 -0.834 4.111) 8.724 7.214 ( -2.707 -3.790 3.998) 6.138 7.368 ( 6.755 2.755 3.278) 7.998 7.405 ( 5.158 0.173 1.665) 5.423 7.576 ( -5.059 0.744 -2.761) 5.811 7.592 ( -8.423 -0.698 -0.791) 8.489 7.741 ( 5.794 3.618 0.614) 6.858 7.826 ( 3.675 -2.617 0.068) 4.513 7.896 ( -6.743 1.621 4.304) 8.162 7.913 ( -4.384 0.541 3.940) 5.919 8.029 ( 1.924 0.683 1.996) 2.855 8.091 ( -0.598 -5.008 4.710) 6.901 8.127 ( -2.906 -2.482 7.240) 8.187 8.166 ( -3.796 -5.075 6.383) 8.995 8.500 ( 0.396 12.367 4.335) 13.111 8.547 ( -4.068 11.523 6.401) 13.795 8.717 ( 0.159 -9.602 5.474) 11.054 8.761 ( -4.360 -10.095 7.298) 13.197 9.039 ( 1.112 2.251 -1.095) 2.739 9.065 ( 2.447 0.229 -1.310) 2.785 9.117 ( -2.826 2.311 -4.573) 5.851 9.180 ( -5.448 -3.281 -3.210) 7.124 9.220 ( 3.823 3.367 -2.300) 5.590 9.239 ( 3.605 1.674 -1.049) 4.111 9.308 ( -2.165 2.279 -1.648) 3.549 9.342 ( -2.095 -1.773 -2.856) 3.961 9.404 ( -1.385 3.245 -2.098) 4.105 9.485 ( -3.817 1.078 -3.170) 5.078 9.537 ( -0.171 0.325 -1.489) 1.533 9.596 ( -3.352 -3.936 -4.475) 6.838 9.725 ( 0.932 0.012 -2.030) 2.233 9.785 ( 3.090 -4.828 -2.738) 6.352 9.820 ( -7.873 3.349 -0.858) 8.599 9.897 ( -6.850 -3.780 -0.726) 7.857 10.033 ( 1.362 6.530 1.652) 6.872 10.159 ( -9.077 8.390 1.200) 12.419 10.192 ( 5.586 -9.887 0.915) 11.392 10.362 ( -9.135 -12.462 -0.287) 15.454 10.766 ( 6.071 12.999 -3.700) 14.816 10.942 ( -6.937 11.056 -4.907) 13.944 10.998 ( 3.762 -6.608 -3.930) 8.560 11.183 ( -10.458 -9.654 -5.889) 15.403 12.851 ( 15.368 4.649 -6.609) 17.362 12.953 ( 15.313 -5.283 -6.686) 17.525 13.056 ( 0.570 5.877 -3.408) 6.818 13.166 ( -2.880 0.103 -7.557) 8.088 13.212 ( -0.297 -2.796 -3.436) 4.440 13.242 ( -7.605 4.194 -6.747) 10.997 13.315 ( -0.588 -5.440 -4.775) 7.262 13.377 ( -8.130 -6.501 -6.402) 12.221 13.504 ( 11.040 3.852 -13.590) 17.928 13.573 ( 12.102 -2.964 -14.968) 19.476 13.736 ( -8.595 5.356 -14.697) 17.848 13.821 ( -10.159 -3.392 -16.108) 19.344 13.964 ( 4.543 9.076 -3.242) 10.655 14.078 ( -4.497 8.498 -4.811) 10.750 14.161 ( 4.141 -9.267 -2.086) 10.362 14.266 ( -4.876 -8.904 -3.833) 10.851 15.172 ( 8.344 13.712 0.594) 16.063 15.326 ( -4.110 8.641 -2.197) 9.818 15.499 ( 1.576 -13.607 -0.480) 13.706 15.599 ( -6.266 -12.931 -1.776) 14.478 16.087 ( 13.301 10.257 -0.399) 16.801 16.191 ( 11.345 1.478 -1.961) 11.608 16.420 ( -9.786 0.984 2.247) 10.089 16.512 ( -10.615 -6.457 0.586) 12.438 16.750 ( 5.949 3.111 6.374) 9.257 16.765 ( 5.680 2.732 6.243) 8.872 16.895 ( -0.878 -2.568 7.156) 7.653 16.930 ( -3.271 -5.245 7.446) 9.678 17.172 ( 0.232 8.168 14.287) 16.458 17.234 ( -4.671 7.636 13.665) 16.336 17.329 ( -0.155 -6.192 15.192) 16.406 17.383 ( -4.552 -6.008 14.691) 16.512 24.268 ( 1.550 7.490 -0.130) 7.649 24.296 ( -1.084 6.316 -0.111) 6.409 24.431 ( 0.136 -8.164 -1.394) 8.284 24.436 ( -0.283 -7.116 -0.919) 7.180 25.445 ( 4.431 1.871 -1.830) 5.146 25.489 ( 3.485 -1.751 -2.091) 4.426 25.522 ( -1.253 0.293 -1.644) 2.088 25.568 ( -2.280 -3.443 -2.046) 4.609 25.682 ( 1.789 3.737 -4.086) 5.819 25.686 ( 1.357 2.325 -2.654) 3.781 25.742 ( 0.592 1.839 -4.015) 4.456 25.777 ( -2.423 -1.840 -4.234) 5.214 25.809 ( 1.563 1.779 -2.161) 3.206 25.842 ( -0.688 5.828 -3.745) 6.962 25.890 ( 3.935 -3.814 -4.546) 7.120 25.975 ( -3.181 -5.959 -6.682) 9.502 27.410 ( 3.367 5.387 0.558) 6.377 27.472 ( -0.972 5.508 0.796) 5.649 27.558 ( 2.313 -6.213 -1.554) 6.809 27.659 ( -5.481 -10.133 -2.468) 11.782 27.897 ( 7.632 7.268 -9.346) 14.086 28.013 ( 9.168 -4.235 -10.874) 14.840 28.055 ( -6.909 8.791 -9.440) 14.633 28.198 ( -7.858 -5.627 -11.568) 15.074 29.065 ( 3.980 1.177 0.068) 4.151 29.092 ( 4.582 -1.381 0.637) 4.828 29.157 ( -4.285 1.650 0.895) 4.678 29.194 ( -4.538 -1.913 0.774) 4.985 30.288 ( 5.289 4.831 10.632) 12.820 30.379 ( 2.420 -3.164 10.546) 11.273 30.469 ( -9.386 3.090 9.718) 13.860 30.552 ( -11.352 -4.223 9.287) 15.263 ======================= Grid point 63 (25/40) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 0.000 0.000 6.316) 6.316 1.931 ( 0.000 0.000 30.254) 30.254 1.970 ( 0.000 0.000 1.247) 1.247 2.464 ( 0.000 0.000 27.753) 27.753 2.645 ( 0.000 0.000 26.975) 26.975 2.775 ( 0.000 0.000 13.442) 13.442 2.877 ( 0.000 0.000 -7.952) 7.952 2.897 ( 0.000 0.000 15.108) 15.108 3.165 ( 0.000 0.000 3.193) 3.193 3.303 ( 0.000 0.000 -2.039) 2.039 3.435 ( 0.000 0.000 5.227) 5.227 3.542 ( 0.000 0.000 7.095) 7.095 3.566 ( 0.000 0.000 -10.105) 10.105 3.605 ( 0.000 0.000 -14.990) 14.990 3.613 ( 0.000 0.000 -7.016) 7.016 3.670 ( 0.000 0.000 13.804) 13.804 3.719 ( 0.000 0.000 2.265) 2.265 3.856 ( 0.000 0.000 -10.046) 10.046 3.985 ( 0.000 0.000 3.551) 3.551 4.014 ( 0.000 0.000 7.069) 7.069 4.064 ( 0.000 0.000 9.834) 9.834 4.103 ( 0.000 0.000 17.193) 17.193 4.280 ( 0.000 0.000 2.346) 2.346 4.331 ( 0.000 0.000 6.576) 6.576 4.410 ( 0.000 0.000 -5.511) 5.511 4.444 ( 0.000 0.000 1.032) 1.032 4.495 ( 0.000 0.000 -12.083) 12.083 4.508 ( 0.000 0.000 5.315) 5.315 4.734 ( 0.000 0.000 -1.962) 1.962 4.766 ( 0.000 0.000 5.236) 5.236 4.841 ( 0.000 0.000 -3.213) 3.213 4.853 ( 0.000 0.000 3.939) 3.939 4.982 ( 0.000 0.000 4.024) 4.024 5.052 ( 0.000 0.000 -4.247) 4.247 5.182 ( 0.000 0.000 0.826) 0.826 5.265 ( 0.000 0.000 3.426) 3.426 5.352 ( 0.000 0.000 3.835) 3.835 5.371 ( 0.000 0.000 -6.448) 6.448 5.424 ( 0.000 0.000 -4.317) 4.317 5.510 ( 0.000 0.000 0.332) 0.332 5.666 ( 0.000 0.000 0.772) 0.772 5.710 ( 0.000 0.000 10.446) 10.446 5.743 ( 0.000 0.000 -4.072) 4.072 5.744 ( 0.000 0.000 -2.158) 2.158 5.775 ( 0.000 0.000 7.614) 7.614 5.983 ( 0.000 0.000 6.000) 6.000 6.003 ( 0.000 0.000 -9.023) 9.023 6.033 ( 0.000 0.000 7.316) 7.316 6.146 ( 0.000 0.000 -10.781) 10.781 6.207 ( 0.000 0.000 13.998) 13.998 6.283 ( 0.000 0.000 -0.875) 0.875 6.283 ( 0.000 0.000 3.312) 3.312 6.329 ( 0.000 0.000 5.552) 5.552 6.458 ( 0.000 0.000 -10.974) 10.974 6.476 ( 0.000 0.000 5.718) 5.718 6.486 ( 0.000 0.000 1.342) 1.342 6.668 ( 0.000 0.000 3.714) 3.714 6.885 ( 0.000 0.000 -7.741) 7.741 7.035 ( 0.000 0.000 0.233) 0.233 7.037 ( 0.000 0.000 3.311) 3.311 7.057 ( 0.000 0.000 0.025) 0.025 7.128 ( 0.000 0.000 -1.360) 1.360 7.346 ( 0.000 0.000 -1.640) 1.640 7.348 ( 0.000 0.000 -0.505) 0.505 7.362 ( 0.000 0.000 5.180) 5.180 7.419 ( 0.000 0.000 3.250) 3.250 7.449 ( 0.000 0.000 11.214) 11.214 7.669 ( 0.000 0.000 3.178) 3.178 7.724 ( 0.000 0.000 0.467) 0.467 7.739 ( 0.000 0.000 5.398) 5.398 7.756 ( 0.000 0.000 3.494) 3.494 7.869 ( 0.000 0.000 -1.026) 1.026 8.163 ( 0.000 0.000 2.739) 2.739 8.247 ( 0.000 0.000 3.122) 3.122 8.259 ( 0.000 0.000 4.470) 4.470 8.437 ( 0.000 0.000 -1.367) 1.367 8.658 ( 0.000 0.000 6.911) 6.911 8.682 ( 0.000 0.000 2.622) 2.622 8.797 ( 0.000 0.000 8.112) 8.112 8.953 ( 0.000 0.000 5.211) 5.211 9.008 ( 0.000 0.000 -4.658) 4.658 9.152 ( 0.000 0.000 -1.822) 1.822 9.174 ( 0.000 0.000 3.017) 3.017 9.240 ( 0.000 0.000 4.920) 4.920 9.292 ( 0.000 0.000 -3.966) 3.966 9.349 ( 0.000 0.000 3.824) 3.824 9.460 ( 0.000 0.000 3.942) 3.942 9.562 ( 0.000 0.000 -3.969) 3.969 9.600 ( 0.000 0.000 -0.794) 0.794 9.615 ( 0.000 0.000 -2.280) 2.280 9.633 ( 0.000 0.000 -0.483) 0.483 9.756 ( 0.000 0.000 -3.843) 3.843 9.933 ( 0.000 0.000 -15.842) 15.842 9.965 ( 0.000 0.000 -0.418) 0.418 10.012 ( 0.000 0.000 -1.755) 1.755 10.321 ( 0.000 0.000 -28.591) 28.591 10.370 ( 0.000 0.000 8.633) 8.633 10.553 ( 0.000 0.000 0.834) 0.834 10.629 ( 0.000 0.000 5.411) 5.411 10.709 ( 0.000 0.000 3.822) 3.822 10.872 ( 0.000 0.000 -1.963) 1.963 10.900 ( 0.000 0.000 -9.980) 9.980 10.985 ( 0.000 0.000 3.456) 3.456 11.413 ( 0.000 0.000 -13.523) 13.523 12.089 ( 0.000 0.000 4.993) 4.993 12.442 ( 0.000 0.000 -13.041) 13.041 12.682 ( 0.000 0.000 3.799) 3.799 12.773 ( 0.000 0.000 -4.064) 4.064 12.873 ( 0.000 0.000 3.817) 3.817 12.989 ( 0.000 0.000 -2.243) 2.243 13.090 ( 0.000 0.000 3.234) 3.234 13.210 ( 0.000 0.000 -3.494) 3.494 13.453 ( 0.000 0.000 -5.146) 5.146 13.542 ( 0.000 0.000 -2.990) 2.990 13.729 ( 0.000 0.000 -0.298) 0.298 13.756 ( 0.000 0.000 -7.440) 7.440 13.826 ( 0.000 0.000 -4.539) 4.539 13.974 ( 0.000 0.000 -7.132) 7.132 14.106 ( 0.000 0.000 -3.478) 3.478 14.377 ( 0.000 0.000 -9.033) 9.033 14.920 ( 0.000 0.000 8.942) 8.942 15.075 ( 0.000 0.000 7.173) 7.173 15.345 ( 0.000 0.000 -10.831) 10.831 15.494 ( 0.000 0.000 -10.679) 10.679 15.823 ( 0.000 0.000 -3.498) 3.498 15.833 ( 0.000 0.000 -4.151) 4.151 16.433 ( 0.000 0.000 3.873) 3.873 16.436 ( 0.000 0.000 4.537) 4.537 16.690 ( 0.000 0.000 0.433) 0.433 16.690 ( 0.000 0.000 1.386) 1.386 17.040 ( 0.000 0.000 2.484) 2.484 17.160 ( 0.000 0.000 -2.472) 2.472 17.647 ( 0.000 0.000 9.343) 9.343 17.695 ( 0.000 0.000 7.469) 7.469 17.828 ( 0.000 0.000 11.033) 11.033 17.932 ( 0.000 0.000 6.760) 6.760 24.114 ( 0.000 0.000 2.893) 2.893 24.248 ( 0.000 0.000 -2.480) 2.480 24.476 ( 0.000 0.000 -2.001) 2.001 24.494 ( 0.000 0.000 -1.271) 1.271 25.305 ( 0.000 0.000 7.451) 7.451 25.317 ( 0.000 0.000 7.732) 7.732 25.438 ( 0.000 0.000 2.107) 2.107 25.479 ( 0.000 0.000 -0.642) 0.642 25.567 ( 0.000 0.000 1.356) 1.356 25.578 ( 0.000 0.000 -0.334) 0.334 25.643 ( 0.000 0.000 -5.431) 5.431 25.658 ( 0.000 0.000 -0.257) 0.257 25.707 ( 0.000 0.000 -9.306) 9.306 25.724 ( 0.000 0.000 -3.107) 3.107 25.889 ( 0.000 0.000 0.567) 0.567 25.942 ( 0.000 0.000 -2.319) 2.319 27.279 ( 0.000 0.000 0.275) 0.275 27.397 ( 0.000 0.000 -1.996) 1.996 27.492 ( 0.000 0.000 -3.128) 3.128 27.496 ( 0.000 0.000 -1.784) 1.784 27.562 ( 0.000 0.000 5.280) 5.280 27.843 ( 0.000 0.000 -5.481) 5.481 28.152 ( 0.000 0.000 -4.358) 4.358 28.301 ( 0.000 0.000 -7.050) 7.050 28.892 ( 0.000 0.000 -4.225) 4.225 28.927 ( 0.000 0.000 -4.140) 4.140 28.949 ( 0.000 0.000 -8.570) 8.570 28.977 ( 0.000 0.000 -7.542) 7.542 30.667 ( 0.000 0.000 17.089) 17.089 30.919 ( 0.000 0.000 3.716) 3.716 31.307 ( 0.000 0.000 6.042) 6.042 31.411 ( 0.000 0.000 1.612) 1.612 ======================= Grid point 64 (26/40) ======================= q-point: ( 0.14 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.963 ( 3.018 0.000 28.501) 28.660 2.102 ( 15.732 0.000 6.680) 17.091 2.142 ( 15.266 0.000 0.982) 15.298 2.509 ( 2.414 0.000 26.756) 26.864 2.653 ( -14.863 0.000 12.835) 19.638 2.660 ( 4.073 0.000 20.461) 20.862 2.844 ( 5.933 0.000 13.319) 14.581 2.985 ( 0.125 0.000 -4.474) 4.476 3.072 ( -7.600 0.000 0.300) 7.606 3.356 ( 0.729 0.000 4.918) 4.972 3.358 ( 2.879 0.000 -2.364) 3.725 3.475 ( -2.503 0.000 -12.270) 12.523 3.523 ( -9.414 0.000 6.964) 11.709 3.627 ( 1.417 0.000 0.437) 1.483 3.666 ( 1.509 0.000 10.976) 11.079 3.684 ( 1.235 0.000 -12.079) 12.142 3.724 ( 0.688 0.000 3.712) 3.776 3.839 ( -2.675 0.000 -7.885) 8.327 3.949 ( -1.470 0.000 0.966) 1.760 4.112 ( -0.366 0.000 3.487) 3.507 4.145 ( 6.740 0.000 3.952) 7.813 4.181 ( 0.086 0.000 2.848) 2.849 4.196 ( -2.787 0.000 7.307) 7.820 4.316 ( 0.799 0.000 -2.562) 2.684 4.342 ( 2.020 0.000 16.262) 16.387 4.385 ( -5.430 0.000 -5.197) 7.516 4.425 ( -3.361 0.000 4.818) 5.874 4.505 ( -1.003 0.000 -2.940) 3.107 4.744 ( 8.129 0.000 -1.853) 8.337 4.825 ( -2.216 0.000 4.885) 5.364 4.889 ( 5.003 0.000 7.534) 9.044 4.938 ( 3.153 0.000 -1.806) 3.634 5.048 ( 10.091 0.000 -3.674) 10.739 5.136 ( 0.721 0.000 -1.309) 1.494 5.248 ( 6.369 0.000 0.584) 6.395 5.300 ( 5.535 0.000 0.933) 5.613 5.370 ( -1.755 0.000 -5.308) 5.591 5.374 ( 2.450 0.000 -2.868) 3.772 5.454 ( 5.405 0.000 -2.665) 6.026 5.501 ( 1.200 0.000 0.654) 1.367 5.613 ( -8.128 0.000 -1.695) 8.303 5.639 ( 2.020 0.000 3.471) 4.016 5.724 ( -0.726 0.000 0.379) 0.819 5.784 ( 1.468 0.000 4.307) 4.551 5.875 ( 9.273 0.000 3.752) 10.004 6.002 ( 0.121 0.000 0.539) 0.552 6.101 ( 5.158 0.000 8.536) 9.973 6.137 ( -0.194 0.000 -7.162) 7.165 6.149 ( 8.527 0.000 6.967) 11.011 6.211 ( -2.706 0.000 3.894) 4.742 6.242 ( 3.066 0.000 7.311) 7.928 6.328 ( 2.291 0.000 -0.274) 2.308 6.349 ( 5.134 0.000 7.778) 9.320 6.468 ( -0.208 0.000 6.034) 6.038 6.533 ( 3.867 0.000 -7.095) 8.080 6.579 ( 8.384 0.000 1.564) 8.529 6.647 ( -1.434 0.000 3.821) 4.081 6.860 ( -0.104 0.000 -7.285) 7.285 6.951 ( -5.199 0.000 3.890) 6.493 7.068 ( 2.492 0.000 1.045) 2.702 7.075 ( 0.106 0.000 -0.602) 0.611 7.204 ( 6.314 0.000 -2.833) 6.920 7.309 ( -3.013 0.000 6.614) 7.268 7.369 ( -0.803 0.000 6.431) 6.481 7.375 ( 0.555 0.000 5.239) 5.268 7.442 ( 3.016 0.000 1.477) 3.358 7.513 ( 0.842 0.000 10.979) 11.012 7.661 ( 3.801 0.000 0.718) 3.868 7.742 ( 0.838 0.000 7.384) 7.431 7.761 ( 0.630 0.000 -3.918) 3.968 7.805 ( 4.124 0.000 1.269) 4.315 7.944 ( 5.931 0.000 -1.271) 6.065 8.187 ( 3.125 0.000 -0.234) 3.134 8.247 ( -1.658 0.000 2.534) 3.029 8.258 ( 1.395 0.000 4.369) 4.586 8.406 ( -2.202 0.000 2.296) 3.181 8.682 ( 3.625 0.000 2.452) 4.377 8.700 ( -8.104 0.000 7.021) 10.722 8.767 ( 6.117 0.000 0.709) 6.158 8.779 ( -13.460 0.000 4.717) 14.263 9.004 ( 0.070 0.000 -4.761) 4.761 9.126 ( -4.461 0.000 6.682) 8.034 9.157 ( 0.174 0.000 -3.763) 3.767 9.236 ( -3.580 0.000 1.170) 3.766 9.251 ( -2.539 0.000 -0.019) 2.539 9.355 ( -3.381 0.000 3.601) 4.940 9.382 ( 2.008 0.000 1.997) 2.832 9.489 ( -9.991 0.000 -0.747) 10.019 9.526 ( -3.827 0.000 -4.255) 5.723 9.594 ( -3.300 0.000 -0.429) 3.328 9.684 ( 2.505 0.000 -0.508) 2.556 9.762 ( -1.871 0.000 -2.403) 3.045 9.849 ( -11.540 0.000 -6.997) 13.496 9.874 ( -5.552 0.000 -11.866) 13.100 9.973 ( -0.751 0.000 -0.433) 0.867 10.258 ( -5.631 0.000 -19.259) 20.065 10.299 ( -7.153 0.000 6.559) 9.704 10.459 ( -8.251 0.000 -1.333) 8.358 10.554 ( -5.565 0.000 5.902) 8.112 10.563 ( -10.212 0.000 5.276) 11.494 10.819 ( -5.583 0.000 -7.443) 9.304 10.860 ( -4.528 0.000 -9.271) 10.317 11.033 ( 2.230 0.000 1.892) 2.925 11.395 ( -2.432 0.000 -12.737) 12.967 12.191 ( 9.180 0.000 4.225) 10.105 12.525 ( 7.422 0.000 -12.316) 14.379 12.599 ( -1.695 0.000 6.104) 6.335 12.807 ( 4.046 0.000 -6.244) 7.441 12.910 ( 3.530 0.000 3.566) 5.018 13.047 ( 4.641 0.000 -3.524) 5.827 13.195 ( 6.949 0.000 1.826) 7.185 13.308 ( 5.275 0.000 -4.155) 6.715 13.410 ( -4.052 0.000 -4.457) 6.024 13.532 ( -0.941 0.000 -4.166) 4.271 13.690 ( -4.273 0.000 -5.256) 6.774 13.773 ( 1.137 0.000 -5.773) 5.884 13.806 ( -1.722 0.000 -3.787) 4.160 13.959 ( -1.302 0.000 -7.094) 7.212 14.111 ( 1.032 0.000 -1.031) 1.458 14.368 ( -0.941 0.000 -7.892) 7.948 14.932 ( 1.193 0.000 8.328) 8.413 15.204 ( 11.860 0.000 5.456) 13.055 15.316 ( -2.508 0.000 -9.507) 9.832 15.568 ( 7.160 0.000 -9.680) 12.040 15.803 ( -2.352 0.000 -2.729) 3.602 15.828 ( -0.157 0.000 -4.021) 4.024 16.497 ( 5.792 0.000 4.487) 7.326 16.507 ( 6.366 0.000 3.945) 7.489 16.672 ( -0.294 0.000 2.425) 2.443 16.753 ( 2.896 0.000 -1.039) 3.077 17.015 ( -1.906 0.000 3.650) 4.118 17.154 ( -0.576 0.000 -1.956) 2.039 17.583 ( -5.680 0.000 9.760) 11.293 17.643 ( -4.874 0.000 7.235) 8.724 17.781 ( -3.946 0.000 11.251) 11.923 17.887 ( -4.099 0.000 6.795) 7.936 24.129 ( 1.358 0.000 2.565) 2.902 24.248 ( 0.009 0.000 -2.124) 2.124 24.476 ( 0.006 0.000 -1.903) 1.903 24.492 ( -0.170 0.000 -1.255) 1.267 25.317 ( 1.331 0.000 5.860) 6.009 25.353 ( 2.923 0.000 5.488) 6.217 25.450 ( 1.197 0.000 1.597) 1.996 25.507 ( 2.397 0.000 -1.270) 2.713 25.551 ( -1.130 0.000 -2.147) 2.426 25.601 ( 1.510 0.000 -0.283) 1.536 25.650 ( -0.744 0.000 -0.524) 0.910 25.661 ( 1.819 0.000 -3.594) 4.029 25.716 ( 0.669 0.000 -8.364) 8.391 25.717 ( -0.690 0.000 -3.245) 3.318 25.883 ( -0.543 0.000 0.835) 0.996 25.948 ( 0.390 0.000 -2.839) 2.865 27.294 ( 1.397 0.000 0.809) 1.615 27.426 ( 2.718 0.000 -2.833) 3.926 27.494 ( 1.409 0.000 -0.960) 1.705 27.553 ( -0.866 0.000 4.932) 5.008 27.558 ( 4.672 0.000 -4.016) 6.161 27.831 ( -1.201 0.000 -6.008) 6.127 28.105 ( -4.364 0.000 -3.379) 5.519 28.271 ( -3.001 0.000 -8.118) 8.654 28.896 ( 1.445 0.000 -2.684) 3.048 28.933 ( 1.928 0.000 -1.996) 2.775 29.013 ( 4.671 0.000 -7.948) 9.219 29.050 ( 5.330 0.000 -7.330) 9.063 30.606 ( -5.271 0.000 16.113) 16.954 30.854 ( -5.987 0.000 3.325) 6.848 31.157 ( -12.957 0.000 8.135) 15.299 31.290 ( -10.943 0.000 1.890) 11.105 ======================= Grid point 65 (27/40) ======================= q-point: ( 0.29 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 5.447 0.000 21.055) 21.748 2.322 ( -13.198 0.000 17.835) 22.187 2.460 ( 13.339 0.000 16.694) 21.368 2.539 ( 20.814 0.000 0.881) 20.832 2.600 ( 11.099 0.000 7.242) 13.253 2.777 ( -16.747 0.000 -8.691) 18.868 2.818 ( 8.682 0.000 11.013) 14.023 2.933 ( -11.668 0.000 -6.193) 13.209 3.003 ( 8.697 0.000 8.776) 12.356 3.338 ( -4.053 0.000 -3.664) 5.464 3.348 ( 2.740 0.000 9.855) 10.229 3.471 ( 3.673 0.000 8.954) 9.678 3.498 ( 2.532 0.000 -5.694) 6.231 3.550 ( -8.025 0.000 3.379) 8.707 3.630 ( -1.947 0.000 10.189) 10.373 3.691 ( -0.617 0.000 -5.179) 5.215 3.794 ( 2.679 0.000 -5.286) 5.927 3.797 ( -2.206 0.000 0.342) 2.232 3.875 ( -5.745 0.000 -2.721) 6.357 3.991 ( -11.468 0.000 1.456) 11.560 4.080 ( -5.968 0.000 7.739) 9.772 4.122 ( 3.022 0.000 0.302) 3.037 4.219 ( 1.461 0.000 -4.247) 4.492 4.256 ( -5.295 0.000 -6.115) 8.088 4.326 ( -1.711 0.000 3.973) 4.326 4.477 ( 1.037 0.000 3.612) 3.758 4.508 ( 4.017 0.000 10.920) 11.636 4.526 ( 9.137 0.000 1.187) 9.214 4.732 ( -3.361 0.000 5.478) 6.427 4.932 ( -1.952 0.000 -3.394) 3.915 5.021 ( 12.100 0.000 -4.819) 13.024 5.043 ( 1.888 0.000 -2.160) 2.868 5.065 ( -5.215 0.000 -4.766) 7.065 5.200 ( 8.015 0.000 -0.266) 8.019 5.354 ( -0.112 0.000 -6.800) 6.801 5.459 ( 12.803 0.000 -2.245) 12.999 5.480 ( 4.627 0.000 4.722) 6.611 5.489 ( 4.626 0.000 1.745) 4.944 5.493 ( 3.220 0.000 3.030) 4.421 5.546 ( 9.458 0.000 8.993) 13.051 5.615 ( 6.192 0.000 0.177) 6.195 5.712 ( 1.671 0.000 -1.640) 2.341 5.745 ( 2.563 0.000 -1.465) 2.952 5.846 ( 3.644 0.000 2.034) 4.173 6.025 ( 2.816 0.000 8.096) 8.572 6.052 ( 7.219 0.000 3.711) 8.117 6.122 ( -0.867 0.000 -0.653) 1.086 6.149 ( 1.895 0.000 0.380) 1.932 6.180 ( -0.568 0.000 7.230) 7.252 6.284 ( 8.733 0.000 13.267) 15.883 6.408 ( 6.260 0.000 -0.549) 6.284 6.437 ( 8.711 0.000 5.831) 10.483 6.496 ( 3.569 0.000 6.239) 7.188 6.498 ( 3.140 0.000 5.390) 6.238 6.600 ( 9.900 0.000 4.149) 10.734 6.649 ( 3.124 0.000 4.044) 5.110 6.802 ( 10.113 0.000 4.792) 11.191 6.865 ( -2.395 0.000 5.012) 5.555 6.939 ( 6.388 0.000 -1.740) 6.621 7.070 ( -0.671 0.000 -2.383) 2.476 7.089 ( -1.536 0.000 3.805) 4.103 7.204 ( -7.101 0.000 11.526) 13.538 7.262 ( -1.940 0.000 4.002) 4.448 7.326 ( -4.747 0.000 7.662) 9.013 7.376 ( 5.199 0.000 4.081) 6.610 7.492 ( -3.107 0.000 4.729) 5.658 7.573 ( 8.939 0.000 -3.336) 9.541 7.686 ( -6.069 0.000 -3.426) 6.969 7.770 ( 0.458 0.000 10.393) 10.403 7.798 ( 5.472 0.000 1.552) 5.687 7.890 ( 4.537 0.000 2.380) 5.124 8.045 ( 2.127 0.000 0.815) 2.278 8.166 ( -6.092 0.000 1.795) 6.351 8.286 ( 3.676 0.000 -2.970) 4.726 8.310 ( 2.893 0.000 2.835) 4.050 8.370 ( -0.844 0.000 5.328) 5.394 8.489 ( -13.119 0.000 4.961) 14.025 8.532 ( -6.495 0.000 2.866) 7.099 8.805 ( 7.203 0.000 -2.054) 7.490 8.900 ( 5.211 0.000 -3.793) 6.445 8.991 ( -6.302 0.000 8.100) 10.263 9.032 ( 2.974 0.000 -5.280) 6.060 9.118 ( -7.107 0.000 1.315) 7.228 9.121 ( -3.923 0.000 -3.928) 5.551 9.174 ( -3.244 0.000 0.746) 3.328 9.312 ( -5.463 0.000 1.015) 5.557 9.327 ( -2.558 0.000 1.222) 2.835 9.411 ( -5.032 0.000 -3.808) 6.310 9.412 ( -2.033 0.000 0.930) 2.235 9.518 ( -3.462 0.000 -1.097) 3.632 9.600 ( -11.940 0.000 -8.836) 14.854 9.633 ( -7.259 0.000 -1.877) 7.498 9.669 ( -1.787 0.000 -3.069) 3.551 9.727 ( -7.450 0.000 -8.778) 11.513 9.912 ( -5.323 0.000 -1.575) 5.551 10.084 ( -10.153 0.000 -9.428) 13.856 10.113 ( -9.083 0.000 4.366) 10.078 10.251 ( -10.330 0.000 -2.888) 10.727 10.429 ( -6.001 0.000 5.638) 8.234 10.440 ( 0.683 0.000 2.699) 2.784 10.705 ( -9.786 0.000 -7.574) 12.374 10.731 ( -1.885 0.000 -9.405) 9.592 11.011 ( -3.601 0.000 0.833) 3.696 11.292 ( -7.261 0.000 -10.777) 12.995 12.436 ( 13.410 0.000 1.940) 13.549 12.695 ( 9.880 0.000 3.793) 10.583 12.717 ( 9.867 0.000 -10.959) 14.746 12.963 ( 9.925 0.000 -9.222) 13.548 13.001 ( 4.317 0.000 1.231) 4.489 13.140 ( 3.266 0.000 -4.760) 5.772 13.293 ( -6.405 0.000 -2.021) 6.716 13.309 ( 3.540 0.000 0.095) 3.541 13.364 ( 0.723 0.000 -3.271) 3.350 13.501 ( -2.444 0.000 -8.538) 8.881 13.557 ( -7.962 0.000 -3.534) 8.711 13.738 ( -5.081 0.000 -10.656) 11.806 13.773 ( -0.617 0.000 -1.299) 1.438 13.923 ( -2.095 0.000 -6.505) 6.834 14.166 ( 3.754 0.000 0.951) 3.873 14.337 ( -1.898 0.000 -5.570) 5.885 14.976 ( 3.115 0.000 6.187) 6.927 15.251 ( -3.605 0.000 -6.670) 7.582 15.531 ( 18.131 0.000 2.962) 18.372 15.746 ( -2.545 0.000 -0.695) 2.638 15.786 ( 12.946 0.000 -7.366) 14.895 15.805 ( -2.112 0.000 -3.151) 3.793 16.627 ( -5.132 0.000 2.420) 5.674 16.656 ( 8.745 0.000 4.699) 9.927 16.674 ( 8.900 0.000 3.944) 9.734 16.741 ( -5.278 0.000 -3.092) 6.117 17.012 ( 2.624 0.000 6.405) 6.922 17.145 ( -0.042 0.000 0.887) 0.888 17.436 ( -7.657 0.000 9.860) 12.484 17.503 ( -8.032 0.000 6.930) 10.608 17.694 ( -3.714 0.000 10.379) 11.024 17.779 ( -5.612 0.000 6.988) 8.963 24.165 ( 1.979 0.000 1.799) 2.675 24.246 ( -0.290 0.000 -1.218) 1.252 24.476 ( 0.020 0.000 -1.719) 1.719 24.487 ( -0.274 0.000 -1.272) 1.301 25.359 ( 2.594 0.000 3.281) 4.183 25.424 ( 3.629 0.000 1.457) 3.911 25.487 ( 2.215 0.000 0.691) 2.320 25.522 ( -1.496 0.000 -4.099) 4.364 25.566 ( 2.925 0.000 -2.736) 4.005 25.623 ( 0.042 0.000 -3.247) 3.247 25.628 ( -1.364 0.000 -0.850) 1.607 25.696 ( -1.218 0.000 -3.484) 3.691 25.712 ( 2.721 0.000 -2.275) 3.547 25.730 ( 0.829 0.000 -5.178) 5.244 25.871 ( -0.504 0.000 0.863) 0.999 25.949 ( -0.557 0.000 -3.858) 3.898 27.337 ( 2.657 0.000 1.903) 3.268 27.504 ( 4.181 0.000 -2.768) 5.015 27.524 ( -1.596 0.000 2.259) 2.766 27.552 ( 4.189 0.000 0.602) 4.232 27.686 ( 7.310 0.000 -6.141) 9.548 27.789 ( -2.847 0.000 -7.007) 7.564 27.981 ( -7.167 0.000 -1.396) 7.302 28.175 ( -6.083 0.000 -9.434) 11.225 28.962 ( 4.550 0.000 0.266) 4.558 29.015 ( 5.548 0.000 1.161) 5.668 29.107 ( 3.565 0.000 -5.483) 6.540 29.162 ( 4.602 0.000 -5.224) 6.962 30.483 ( -5.390 0.000 12.822) 13.909 30.690 ( -8.998 0.000 2.792) 9.421 30.853 ( -13.820 0.000 9.833) 16.961 31.004 ( -14.840 0.000 2.526) 15.053 ======================= Grid point 66 (28/40) ======================= q-point: ( 0.43 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.103 ( 2.542 0.000 8.207) 8.592 2.259 ( -2.832 0.000 5.926) 6.568 2.438 ( -3.810 0.000 4.763) 6.099 2.652 ( -14.244 0.000 0.116) 14.244 2.668 ( 10.109 0.000 11.258) 15.130 2.817 ( 0.769 0.000 3.698) 3.777 2.925 ( 12.220 0.000 -1.523) 12.314 3.012 ( 7.549 0.000 -2.506) 7.954 3.127 ( 4.074 0.000 3.664) 5.479 3.262 ( 0.879 0.000 2.742) 2.880 3.456 ( -0.789 0.000 2.577) 2.695 3.472 ( 6.538 0.000 7.092) 9.646 3.529 ( -0.040 0.000 4.090) 4.091 3.536 ( 1.088 0.000 6.689) 6.777 3.594 ( -9.949 0.000 -1.983) 10.144 3.618 ( 1.595 0.000 8.191) 8.345 3.624 ( -7.720 0.000 4.407) 8.889 3.731 ( -7.437 0.000 3.586) 8.256 3.800 ( -1.669 0.000 1.192) 2.051 3.845 ( -2.600 0.000 -1.631) 3.069 4.065 ( 4.195 0.000 0.120) 4.197 4.162 ( -4.365 0.000 -3.138) 5.376 4.190 ( 2.757 0.000 0.193) 2.764 4.235 ( -1.226 0.000 0.782) 1.454 4.352 ( 5.175 0.000 -1.070) 5.285 4.479 ( -5.322 0.000 0.930) 5.403 4.541 ( 4.191 0.000 0.068) 4.191 4.607 ( -0.856 0.000 -0.574) 1.031 4.735 ( 4.184 0.000 -0.623) 4.230 4.878 ( -6.636 0.000 -4.984) 8.300 4.935 ( -1.038 0.000 -8.858) 8.919 4.997 ( -4.754 0.000 -9.950) 11.027 5.172 ( 4.917 0.000 2.383) 5.464 5.274 ( -4.635 0.000 3.244) 5.657 5.412 ( 8.420 0.000 -3.659) 9.181 5.526 ( -1.491 0.000 3.046) 3.391 5.602 ( 5.781 0.000 -5.174) 7.758 5.656 ( 9.401 0.000 12.536) 15.670 5.698 ( 5.829 0.000 6.561) 8.777 5.708 ( 0.185 0.000 -0.694) 0.718 5.723 ( -1.916 0.000 -3.543) 4.028 5.734 ( 0.311 0.000 -0.074) 0.320 5.762 ( 8.739 0.000 8.484) 12.180 5.871 ( -2.028 0.000 6.423) 6.735 6.066 ( 1.266 0.000 3.588) 3.805 6.137 ( -2.079 0.000 5.790) 6.151 6.157 ( 3.618 0.000 8.268) 9.025 6.203 ( 0.276 0.000 6.950) 6.956 6.224 ( 7.946 0.000 6.091) 10.012 6.387 ( -5.450 0.000 0.311) 5.458 6.497 ( 8.780 0.000 11.431) 14.414 6.565 ( 2.227 0.000 6.985) 7.331 6.623 ( 8.961 0.000 7.043) 11.397 6.712 ( 14.534 0.000 8.132) 16.654 6.813 ( 8.525 0.000 3.867) 9.361 6.816 ( 1.950 0.000 7.621) 7.867 6.854 ( -3.634 0.000 5.557) 6.640 6.871 ( 4.252 0.000 4.595) 6.260 6.947 ( -1.571 0.000 5.338) 5.565 7.015 ( -7.327 0.000 5.692) 9.278 7.060 ( -1.583 0.000 6.431) 6.623 7.173 ( 9.620 0.000 3.363) 10.191 7.221 ( -7.005 0.000 1.237) 7.113 7.334 ( 3.954 0.000 1.974) 4.419 7.366 ( -4.496 0.000 2.728) 5.259 7.487 ( -11.431 0.000 -1.565) 11.537 7.495 ( 6.909 0.000 8.067) 10.621 7.680 ( -3.424 0.000 3.860) 5.160 7.797 ( 6.458 0.000 4.693) 7.983 7.909 ( 5.017 0.000 2.940) 5.815 7.990 ( -8.041 0.000 7.096) 10.724 8.012 ( -4.436 0.000 2.148) 4.928 8.034 ( 6.683 0.000 -0.098) 6.683 8.239 ( -10.782 0.000 4.177) 11.563 8.301 ( 0.996 0.000 -1.869) 2.117 8.345 ( 1.424 0.000 4.012) 4.258 8.374 ( -0.371 0.000 3.578) 3.597 8.408 ( -6.917 0.000 -2.500) 7.355 8.896 ( 0.743 0.000 -4.089) 4.156 8.926 ( -0.835 0.000 -4.445) 4.523 8.944 ( 1.491 0.000 4.695) 4.926 9.007 ( -3.223 0.000 2.629) 4.160 9.113 ( 4.453 0.000 -3.611) 5.733 9.124 ( -0.978 0.000 1.579) 1.858 9.151 ( 5.450 0.000 -6.927) 8.814 9.210 ( -7.634 0.000 0.458) 7.648 9.218 ( -2.083 0.000 0.587) 2.164 9.254 ( -4.212 0.000 -6.027) 7.352 9.325 ( -5.939 0.000 -3.785) 7.043 9.353 ( -9.558 0.000 -5.723) 11.140 9.500 ( 2.797 0.000 -1.314) 3.091 9.596 ( -5.230 0.000 -6.356) 8.231 9.626 ( 4.834 0.000 -2.865) 5.619 9.728 ( 3.008 0.000 -6.260) 6.945 9.779 ( -4.082 0.000 -1.224) 4.261 9.895 ( -7.843 0.000 -5.682) 9.685 9.984 ( -1.590 0.000 2.227) 2.736 10.060 ( -7.506 0.000 -1.803) 7.720 10.362 ( 1.234 0.000 1.908) 2.273 10.489 ( -9.648 0.000 -4.259) 10.547 10.542 ( 7.297 0.000 0.513) 7.315 10.685 ( -4.769 0.000 -3.885) 6.151 10.975 ( 2.751 0.000 -4.218) 5.036 11.115 ( -8.869 0.000 -8.688) 12.416 12.717 ( 12.466 0.000 -1.524) 12.559 12.868 ( 1.538 0.000 -7.651) 7.804 12.945 ( 12.516 0.000 -0.640) 12.532 13.050 ( 0.310 0.000 -1.410) 1.443 13.099 ( -5.056 0.000 -2.951) 5.854 13.120 ( 0.215 0.000 -7.697) 7.700 13.276 ( 5.202 0.000 -3.936) 6.523 13.334 ( 0.686 0.000 -2.991) 3.069 13.388 ( -1.868 0.000 -4.674) 5.033 13.409 ( -6.230 0.000 -9.809) 11.620 13.423 ( 1.714 0.000 -0.541) 1.797 13.580 ( -9.158 0.000 -9.676) 13.323 13.802 ( 2.991 0.000 -1.699) 3.440 13.870 ( -3.056 0.000 -4.642) 5.558 14.239 ( 2.963 0.000 -1.166) 3.184 14.293 ( -2.307 0.000 -3.382) 4.094 15.061 ( 4.863 0.000 2.215) 5.344 15.165 ( -4.677 0.000 -2.670) 5.386 15.717 ( 0.057 0.000 0.184) 0.193 15.749 ( -2.699 0.000 -1.093) 2.912 15.904 ( 15.822 0.000 0.942) 15.850 16.034 ( 6.835 0.000 -4.560) 8.216 16.480 ( -5.431 0.000 1.829) 5.731 16.563 ( -9.956 0.000 -2.073) 10.169 16.824 ( 6.000 0.000 4.656) 7.594 16.837 ( 5.139 0.000 4.169) 6.617 17.092 ( 3.822 0.000 5.847) 6.985 17.143 ( -0.845 0.000 3.840) 3.932 17.302 ( -3.720 0.000 8.827) 9.579 17.338 ( -6.523 0.000 7.268) 9.766 17.645 ( -0.601 0.000 8.737) 8.758 17.678 ( -3.575 0.000 7.522) 8.328 24.205 ( 1.723 0.000 0.892) 1.940 24.234 ( -0.972 0.000 -0.121) 0.980 24.478 ( 0.121 0.000 -1.554) 1.559 24.482 ( -0.252 0.000 -1.390) 1.412 25.418 ( 2.810 0.000 0.494) 2.853 25.467 ( -1.293 0.000 -1.135) 1.720 25.520 ( 2.973 0.000 -3.516) 4.604 25.538 ( 2.562 0.000 -0.346) 2.585 25.588 ( -2.017 0.000 -1.421) 2.467 25.590 ( -2.929 0.000 -4.471) 5.345 25.625 ( 2.235 0.000 -2.970) 3.717 25.666 ( -1.682 0.000 -3.549) 3.927 25.752 ( 1.234 0.000 -2.218) 2.538 25.759 ( 1.020 0.000 -2.205) 2.430 25.874 ( 1.274 0.000 -0.908) 1.565 25.918 ( -2.252 0.000 -3.529) 4.186 27.400 ( 3.306 0.000 2.958) 4.436 27.469 ( -3.046 0.000 3.928) 4.970 27.611 ( 5.163 0.000 -6.908) 8.624 27.666 ( 6.597 0.000 1.221) 6.709 27.713 ( -4.401 0.000 -7.464) 8.664 27.820 ( -7.781 0.000 0.395) 7.791 27.853 ( 8.340 0.000 -8.201) 11.696 28.026 ( -7.925 0.000 -9.457) 12.339 29.067 ( 4.878 0.000 1.350) 5.061 29.136 ( -1.126 0.000 -1.191) 1.639 29.140 ( 5.538 0.000 1.940) 5.868 29.210 ( -0.552 0.000 -1.020) 1.160 30.426 ( 0.623 0.000 7.605) 7.631 30.512 ( -7.134 0.000 3.716) 8.043 30.661 ( -3.165 0.000 7.362) 8.014 30.734 ( -9.478 0.000 3.985) 10.282 ======================= Grid point 70 (29/40) ======================= q-point: ( 0.00 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 0.000 1.141 4.688) 4.825 1.952 ( 0.000 -0.463 3.322) 3.354 2.129 ( 0.000 16.958 21.638) 27.492 2.443 ( 0.000 -7.536 24.188) 25.335 2.544 ( 0.000 -9.513 12.933) 16.055 2.567 ( 0.000 -5.136 26.411) 26.906 3.003 ( 0.000 7.426 14.121) 15.955 3.046 ( 0.000 8.002 5.353) 9.628 3.163 ( 0.000 0.589 3.269) 3.322 3.282 ( 0.000 -4.970 -3.897) 6.315 3.490 ( 0.000 4.455 -0.154) 4.458 3.525 ( 0.000 2.408 -12.419) 12.650 3.557 ( 0.000 -1.540 6.267) 6.453 3.589 ( 0.000 -0.651 -11.469) 11.487 3.679 ( 0.000 4.425 0.786) 4.494 3.721 ( 0.000 1.158 13.021) 13.073 3.818 ( 0.000 8.449 1.023) 8.510 3.838 ( 0.000 -0.973 -4.582) 4.684 3.907 ( 0.000 -9.627 21.191) 23.275 3.922 ( 0.000 -5.339 10.924) 12.159 4.001 ( 0.000 -2.441 1.988) 3.148 4.108 ( 0.000 -7.734 6.052) 9.821 4.192 ( 0.000 7.037 0.142) 7.038 4.312 ( 0.000 -0.365 1.144) 1.201 4.338 ( 0.000 -2.781 -5.888) 6.512 4.419 ( 0.000 -8.803 -5.450) 10.354 4.539 ( 0.000 2.134 -6.258) 6.612 4.563 ( 0.000 0.619 -3.235) 3.294 4.735 ( 0.000 0.993 2.015) 2.247 4.748 ( 0.000 0.065 3.856) 3.857 4.815 ( 0.000 1.264 2.611) 2.901 4.871 ( 0.000 -2.342 3.160) 3.933 5.018 ( 0.000 3.595 -0.493) 3.628 5.127 ( 0.000 7.728 -0.860) 7.776 5.140 ( 0.000 -2.357 2.487) 3.426 5.300 ( 0.000 4.483 6.025) 7.510 5.325 ( 0.000 -8.837 -2.200) 9.107 5.386 ( 0.000 -2.024 3.846) 4.346 5.445 ( 0.000 6.131 -5.723) 8.387 5.531 ( 0.000 -0.044 -4.110) 4.110 5.631 ( 0.000 -0.464 4.861) 4.883 5.656 ( 0.000 -2.728 13.964) 14.228 5.728 ( 0.000 -1.597 -5.286) 5.522 5.744 ( 0.000 -1.699 -6.282) 6.507 5.839 ( 0.000 4.983 2.847) 5.739 5.936 ( 0.000 -5.192 1.749) 5.479 6.037 ( 0.000 6.370 -0.485) 6.388 6.063 ( 0.000 4.397 0.426) 4.417 6.147 ( 0.000 -0.679 -5.128) 5.173 6.194 ( 0.000 -7.766 -0.319) 7.772 6.228 ( 0.000 -1.272 7.758) 7.862 6.291 ( 0.000 2.055 8.467) 8.713 6.349 ( 0.000 -4.866 4.913) 6.915 6.378 ( 0.000 -0.325 0.801) 0.864 6.455 ( 0.000 0.863 5.453) 5.520 6.488 ( 0.000 -0.983 -5.999) 6.079 6.729 ( 0.000 4.953 -4.410) 6.632 6.830 ( 0.000 -5.024 -7.339) 8.894 6.998 ( 0.000 -0.339 -2.608) 2.630 7.010 ( 0.000 -1.213 -3.192) 3.414 7.167 ( 0.000 5.410 5.457) 7.684 7.209 ( 0.000 1.757 10.052) 10.205 7.319 ( 0.000 3.551 -0.484) 3.584 7.349 ( 0.000 0.987 -1.055) 1.445 7.396 ( 0.000 0.512 2.318) 2.374 7.424 ( 0.000 0.542 3.912) 3.949 7.473 ( 0.000 0.213 6.288) 6.291 7.554 ( 0.000 -8.119 -2.248) 8.424 7.634 ( 0.000 -1.481 5.380) 5.581 7.697 ( 0.000 -4.419 10.232) 11.146 7.858 ( 0.000 4.817 1.413) 5.020 7.903 ( 0.000 0.351 1.215) 1.265 8.172 ( 0.000 1.217 0.847) 1.482 8.196 ( 0.000 -1.554 1.825) 2.397 8.379 ( 0.000 7.229 4.901) 8.734 8.459 ( 0.000 -0.229 2.067) 2.080 8.681 ( 0.000 1.732 4.784) 5.088 8.695 ( 0.000 0.574 2.798) 2.856 8.835 ( 0.000 3.766 7.319) 8.231 8.909 ( 0.000 -3.723 6.144) 7.184 9.057 ( 0.000 4.804 -4.436) 6.539 9.137 ( 0.000 -2.413 -3.430) 4.193 9.177 ( 0.000 1.036 1.776) 2.056 9.226 ( 0.000 -2.767 2.359) 3.636 9.312 ( 0.000 3.411 0.523) 3.451 9.364 ( 0.000 0.970 3.304) 3.444 9.420 ( 0.000 -2.310 2.609) 3.485 9.501 ( 0.000 -7.913 -1.025) 7.979 9.599 ( 0.000 3.312 -4.473) 5.565 9.632 ( 0.000 0.428 -0.974) 1.064 9.635 ( 0.000 0.086 -0.485) 0.492 9.676 ( 0.000 -4.878 -4.850) 6.879 9.956 ( 0.000 -0.163 -6.466) 6.468 9.956 ( 0.000 -0.539 -1.602) 1.691 10.059 ( 0.000 5.699 -10.543) 11.985 10.198 ( 0.000 -8.728 -19.225) 21.113 10.443 ( 0.000 7.211 6.577) 9.759 10.568 ( 0.000 -0.974 0.920) 1.340 10.680 ( 0.000 -2.416 2.700) 3.623 10.683 ( 0.000 -7.792 3.125) 8.396 10.744 ( 0.000 8.054 -0.464) 8.067 10.875 ( 0.000 -5.139 -3.405) 6.165 11.158 ( 0.000 11.187 -7.117) 13.259 11.340 ( 0.000 -7.371 -11.891) 13.991 12.197 ( 0.000 10.345 2.700) 10.692 12.402 ( 0.000 -7.876 -6.764) 10.382 12.624 ( 0.000 0.567 1.215) 1.340 12.710 ( 0.000 -5.685 -3.749) 6.810 12.924 ( 0.000 3.417 1.957) 3.937 12.975 ( 0.000 -1.742 -0.219) 1.756 13.117 ( 0.000 2.660 0.312) 2.679 13.176 ( 0.000 -3.077 -2.566) 4.006 13.486 ( 0.000 3.048 -6.310) 7.007 13.539 ( 0.000 -1.482 -6.191) 6.366 13.697 ( 0.000 -1.496 -0.967) 1.781 13.710 ( 0.000 -1.632 0.557) 1.725 13.933 ( 0.000 7.112 -6.131) 9.390 14.053 ( 0.000 -4.969 -5.063) 7.094 14.098 ( 0.000 10.660 -7.832) 13.228 14.294 ( 0.000 -8.316 -9.142) 12.358 14.960 ( 0.000 3.728 8.491) 9.273 15.036 ( 0.000 -3.669 7.584) 8.425 15.387 ( 0.000 3.813 -10.731) 11.388 15.460 ( 0.000 -3.321 -10.703) 11.207 15.831 ( 0.000 0.611 -3.722) 3.772 15.836 ( 0.000 0.129 -4.055) 4.057 16.432 ( 0.000 -0.097 4.360) 4.361 16.432 ( 0.000 -0.183 4.737) 4.741 16.686 ( 0.000 -0.267 0.326) 0.421 16.686 ( 0.000 -0.292 0.940) 0.984 17.062 ( 0.000 2.307 1.647) 2.834 17.120 ( 0.000 -3.392 -0.700) 3.464 17.677 ( 0.000 2.680 9.719) 10.082 17.714 ( 0.000 0.024 8.693) 8.693 17.832 ( 0.000 1.775 8.975) 9.148 17.896 ( 0.000 -3.518 6.876) 7.724 24.196 ( 0.000 7.683 0.592) 7.706 24.286 ( 0.000 2.263 -2.933) 3.704 24.404 ( 0.000 -5.409 -0.480) 5.430 24.435 ( 0.000 -5.226 -0.961) 5.314 25.307 ( 0.000 0.251 7.476) 7.480 25.313 ( 0.000 -0.338 7.598) 7.606 25.444 ( 0.000 0.671 1.894) 2.010 25.463 ( 0.000 -1.211 0.776) 1.438 25.574 ( 0.000 0.692 0.112) 0.701 25.585 ( 0.000 -0.109 -0.518) 0.529 25.640 ( 0.000 0.604 -5.477) 5.511 25.658 ( 0.000 -0.662 -3.699) 3.758 25.736 ( 0.000 2.979 -4.784) 5.636 25.761 ( 0.000 1.788 -3.318) 3.769 25.874 ( 0.000 -0.496 -0.129) 0.512 25.910 ( 0.000 -2.985 -1.975) 3.579 27.309 ( 0.000 2.976 0.728) 3.064 27.377 ( 0.000 -3.299 1.137) 3.490 27.452 ( 0.000 0.086 -3.854) 3.855 27.478 ( 0.000 -1.670 -2.672) 3.151 27.656 ( 0.000 6.531 1.386) 6.676 27.777 ( 0.000 -5.843 -2.703) 6.438 28.202 ( 0.000 4.114 -5.682) 7.016 28.273 ( 0.000 -2.909 -6.777) 7.375 28.898 ( 0.000 0.630 -4.365) 4.410 28.914 ( 0.000 -0.952 -4.591) 4.689 28.960 ( 0.000 0.746 -7.876) 7.911 28.972 ( 0.000 -0.486 -7.632) 7.648 30.727 ( 0.000 5.870 14.948) 16.059 30.853 ( 0.000 -6.268 8.657) 10.688 31.334 ( 0.000 2.569 3.701) 4.505 31.386 ( 0.000 -2.463 1.854) 3.083 ======================= Grid point 71 (30/40) ======================= q-point: ( 0.14 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.064 ( 7.731 5.255 13.741) 16.619 2.115 ( 14.091 -0.846 4.048) 14.685 2.199 ( 9.659 10.674 12.394) 18.995 2.432 ( -1.734 -9.615 19.323) 21.653 2.555 ( 1.802 0.857 23.727) 23.811 2.659 ( 5.056 -9.400 18.623) 21.465 2.895 ( -5.856 7.541 11.747) 15.137 3.000 ( -1.121 -2.987 1.574) 3.558 3.114 ( -3.457 9.016 -2.844) 10.066 3.316 ( 0.929 -7.644 -3.086) 8.296 3.425 ( -5.324 5.981 4.638) 9.254 3.479 ( -3.978 1.114 -1.984) 4.583 3.609 ( -9.359 2.325 -0.901) 9.685 3.619 ( 5.056 5.734 0.095) 7.645 3.654 ( -2.351 -1.476 -1.975) 3.407 3.722 ( 1.296 -1.305 4.307) 4.683 3.753 ( 6.006 3.688 -1.717) 7.254 3.864 ( -2.247 -8.538 3.014) 9.329 3.883 ( -1.852 5.862 -3.328) 6.991 4.026 ( 5.725 -6.283 1.113) 8.573 4.053 ( -0.773 -5.187 7.449) 9.110 4.092 ( 4.333 -10.513 9.966) 15.120 4.231 ( -5.977 1.851 1.846) 6.524 4.241 ( 3.133 7.638 3.443) 8.944 4.304 ( -3.780 -5.477 -0.828) 6.706 4.398 ( -3.188 -5.065 1.653) 6.209 4.460 ( -2.720 6.135 -2.511) 7.166 4.553 ( 1.619 -1.419 -5.106) 5.541 4.739 ( 5.238 3.244 5.350) 8.160 4.806 ( 6.358 -3.311 5.090) 8.792 4.958 ( 4.677 2.447 -0.722) 5.328 5.007 ( 7.104 1.707 3.290) 8.013 5.067 ( 3.632 3.694 -1.251) 5.329 5.120 ( 0.441 2.470 -2.231) 3.357 5.182 ( 1.908 -4.469 -0.445) 4.880 5.273 ( 1.024 -3.254 2.139) 4.026 5.351 ( 4.002 2.936 -2.792) 5.694 5.418 ( 4.599 -2.506 -3.697) 6.411 5.480 ( 2.988 5.006 -0.277) 5.836 5.555 ( 1.607 1.638 -0.911) 2.468 5.582 ( -0.219 -0.569 6.229) 6.259 5.661 ( 0.339 -1.960 4.090) 4.548 5.732 ( -0.459 1.874 -3.312) 3.833 5.779 ( 1.777 -1.510 2.550) 3.456 5.868 ( 3.519 1.105 -1.150) 3.864 5.964 ( 1.684 -8.137 3.045) 8.850 6.055 ( 1.232 5.753 3.051) 6.627 6.103 ( 2.858 0.262 0.364) 2.893 6.162 ( -0.838 -0.273 -0.487) 1.007 6.173 ( 2.555 -2.844 2.638) 4.646 6.234 ( 0.504 -4.831 3.695) 6.103 6.312 ( -1.625 -7.879 1.741) 8.231 6.374 ( 6.351 6.765 8.040) 12.278 6.451 ( 6.154 0.895 3.905) 7.343 6.516 ( 5.743 1.558 7.286) 9.408 6.572 ( 6.959 -0.818 0.339) 7.015 6.766 ( 3.490 5.422 -4.576) 7.906 6.839 ( 0.523 -2.587 -5.865) 6.431 6.941 ( -3.989 1.327 -0.442) 4.227 7.012 ( 0.056 -3.614 -4.265) 5.591 7.131 ( -1.286 3.346 5.522) 6.583 7.199 ( -1.830 -2.843 7.486) 8.214 7.335 ( 1.917 4.429 2.446) 5.411 7.381 ( -2.389 -0.069 11.243) 11.494 7.399 ( 0.060 2.050 3.135) 3.747 7.433 ( 4.453 0.092 -0.388) 4.471 7.551 ( 3.988 1.835 3.924) 5.888 7.598 ( 3.691 -5.225 -0.196) 6.400 7.672 ( 3.856 -2.280 2.829) 5.298 7.702 ( 0.712 -3.362 7.117) 7.903 7.908 ( 3.344 5.331 -0.373) 6.304 7.964 ( 4.688 -0.073 -0.749) 4.748 8.162 ( -0.060 -0.901 1.719) 1.941 8.176 ( -1.169 -2.246 2.922) 3.867 8.386 ( 0.205 7.323 4.027) 8.360 8.459 ( 0.137 1.211 2.281) 2.586 8.714 ( 2.667 2.241 2.238) 4.141 8.714 ( -6.690 1.477 5.684) 8.902 8.763 ( 1.837 -0.477 2.219) 2.920 8.768 ( -9.107 -0.997 5.187) 10.527 9.032 ( -2.153 3.269 -3.665) 5.362 9.103 ( -3.843 -2.779 0.539) 4.773 9.169 ( -0.683 1.624 -0.572) 1.852 9.221 ( -1.871 -2.702 1.649) 3.677 9.274 ( -2.963 3.641 -0.481) 4.719 9.335 ( -0.269 -1.970 2.328) 3.061 9.384 ( -1.288 1.394 0.585) 1.986 9.460 ( -6.641 -4.323 -1.574) 8.079 9.550 ( -4.541 1.790 -1.767) 5.191 9.578 ( -4.749 -1.532 0.266) 4.997 9.674 ( 1.880 0.570 -2.198) 2.948 9.722 ( 1.062 -3.357 -3.428) 4.914 9.816 ( -10.158 -1.193 -6.217) 11.969 9.836 ( -7.940 -2.775 -6.713) 10.761 10.032 ( -3.443 4.975 -5.430) 8.130 10.149 ( -4.921 -7.361 -11.304) 14.359 10.363 ( -7.824 5.620 5.439) 11.062 10.471 ( -9.009 -4.293 2.952) 10.407 10.548 ( -8.449 5.099 -0.286) 9.872 10.658 ( -5.922 0.093 2.639) 6.484 10.713 ( -3.011 -0.294 -6.232) 6.927 10.822 ( -3.083 -5.165 -4.014) 7.231 11.160 ( -1.155 9.628 -6.174) 11.495 11.325 ( -2.231 -6.945 -11.061) 13.250 12.274 ( 7.335 7.932 2.919) 11.191 12.441 ( 4.139 -8.229 -1.489) 9.331 12.645 ( 4.282 4.964 -3.573) 7.466 12.751 ( 4.639 -5.240 -6.019) 9.231 12.957 ( 3.677 4.198 2.593) 6.153 13.034 ( 5.260 -2.665 -0.574) 5.925 13.181 ( 3.937 0.947 -0.970) 4.164 13.248 ( 4.054 -4.832 -3.713) 7.319 13.450 ( -3.492 3.765 -5.416) 7.464 13.524 ( -1.918 -2.766 -7.020) 7.785 13.676 ( -1.619 1.538 -1.725) 2.822 13.729 ( 0.881 -2.869 -3.410) 4.542 13.913 ( -1.652 7.452 -4.352) 8.786 14.047 ( -0.393 -5.756 -1.703) 6.016 14.084 ( -1.093 10.494 -8.225) 13.378 14.281 ( -1.249 -8.574 -8.161) 11.903 14.995 ( 3.202 5.982 7.575) 10.169 15.122 ( 7.284 -6.565 5.807) 11.397 15.396 ( 1.306 6.313 -9.258) 11.282 15.513 ( 4.798 -5.292 -9.709) 12.054 15.818 ( -0.994 1.202 -2.915) 3.306 15.831 ( 0.187 -0.010 -3.564) 3.569 16.500 ( 6.120 0.330 4.842) 7.811 16.506 ( 6.531 -0.177 4.629) 8.007 16.687 ( 0.472 1.673 0.976) 1.994 16.728 ( 2.196 -2.242 -0.670) 3.209 17.039 ( -1.871 2.564 2.539) 4.064 17.106 ( -1.266 -4.005 -0.088) 4.202 17.620 ( -4.956 3.374 10.045) 11.698 17.668 ( -4.086 0.094 8.509) 9.439 17.778 ( -4.763 1.552 9.299) 10.563 17.847 ( -4.415 -3.868 6.936) 9.087 24.208 ( 1.040 7.389 0.651) 7.491 24.289 ( 0.307 2.780 -2.534) 3.775 24.403 ( -0.058 -5.673 -0.408) 5.688 24.433 ( -0.201 -5.288 -0.930) 5.372 25.322 ( 1.434 0.542 5.660) 5.864 25.338 ( 2.066 -1.095 5.381) 5.867 25.464 ( 1.844 1.204 1.354) 2.586 25.489 ( 2.176 -1.317 0.088) 2.545 25.572 ( -0.358 1.319 -2.141) 2.541 25.594 ( 0.434 -0.953 -1.507) 1.835 25.640 ( 0.173 0.701 -4.010) 4.074 25.663 ( 0.784 -0.860 -3.571) 3.755 25.743 ( 0.526 2.904 -4.208) 5.140 25.766 ( 0.367 2.374 -3.288) 4.072 25.868 ( -0.565 -0.362 0.139) 0.685 25.912 ( 0.120 -3.369 -2.333) 4.099 27.324 ( 1.474 3.008 1.148) 3.541 27.393 ( 1.595 -3.693 1.172) 4.190 27.484 ( 3.095 1.174 -4.120) 5.285 27.520 ( 3.566 -1.940 -3.329) 5.250 27.648 ( -0.514 5.931 1.097) 6.053 27.763 ( -1.328 -5.791 -2.677) 6.516 28.161 ( -3.799 4.581 -5.542) 8.132 28.240 ( -3.224 -3.208 -7.494) 8.766 28.904 ( 1.574 0.765 -2.610) 3.142 28.922 ( 1.831 -0.989 -2.331) 3.124 29.023 ( 4.765 0.929 -7.636) 9.049 29.041 ( 5.111 -0.825 -7.393) 9.025 30.665 ( -5.422 5.718 14.266) 16.297 30.788 ( -5.828 -6.148 8.501) 12.001 31.193 ( -12.305 3.347 4.811) 13.630 31.259 ( -11.350 -3.009 2.304) 11.966 ======================= Grid point 72 (31/40) ======================= q-point: ( 0.29 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 1.336 6.697 20.695) 21.792 2.253 ( -6.042 -5.339 19.463) 21.068 2.519 ( 13.343 5.057 10.941) 17.981 2.555 ( 19.320 1.229 0.169) 19.360 2.593 ( 6.342 0.866 6.710) 9.273 2.746 ( 0.599 -10.070 2.969) 10.516 2.913 ( -3.050 7.993 1.435) 8.675 2.952 ( -2.048 12.182 2.554) 12.614 3.034 ( -2.137 -1.860 3.154) 4.240 3.218 ( -0.767 -12.724 -0.389) 12.753 3.363 ( -3.434 2.313 5.303) 6.728 3.443 ( -1.819 1.292 -2.328) 3.225 3.472 ( -0.492 -4.934 6.427) 8.117 3.514 ( -2.958 -3.026 2.881) 5.119 3.674 ( -1.616 7.384 4.067) 8.583 3.766 ( 0.573 1.255 1.861) 2.316 3.801 ( -1.436 2.263 -1.279) 2.970 3.835 ( -3.974 -1.833 -2.926) 5.265 3.918 ( 3.884 6.998 -2.812) 8.483 4.024 ( -8.657 2.106 1.076) 8.974 4.051 ( 3.292 -4.491 1.452) 5.755 4.066 ( -5.930 -1.992 6.750) 9.203 4.151 ( 0.117 -4.524 -0.708) 4.580 4.189 ( -6.181 -6.540 1.415) 9.110 4.327 ( 5.757 -1.622 2.150) 6.356 4.353 ( 0.516 -0.095 1.769) 1.845 4.505 ( 2.968 1.806 0.586) 3.524 4.601 ( 1.978 -3.438 -0.123) 3.968 4.838 ( -1.327 6.480 2.557) 7.091 4.868 ( 0.517 -1.300 1.188) 1.836 5.019 ( -1.115 0.307 -2.145) 2.437 5.045 ( -3.486 1.778 -1.708) 4.270 5.123 ( 5.243 2.032 -5.039) 7.550 5.169 ( 7.264 -3.845 -1.256) 8.314 5.317 ( 8.711 -1.168 1.700) 8.952 5.373 ( 6.210 -4.139 -2.869) 7.996 5.493 ( 5.046 2.993 3.954) 7.075 5.537 ( 3.649 4.447 2.155) 6.142 5.558 ( 6.581 -1.611 4.595) 8.187 5.593 ( 3.321 1.772 2.835) 4.712 5.649 ( 7.168 4.804 1.971) 8.851 5.725 ( 2.034 -1.378 -0.338) 2.480 5.758 ( 5.045 3.248 -3.959) 7.189 5.844 ( 5.186 -2.453 -1.518) 5.934 5.939 ( 3.665 -2.830 6.549) 8.021 5.991 ( 3.430 -7.791 3.782) 9.315 6.127 ( 0.640 1.424 3.028) 3.407 6.149 ( 6.201 7.210 5.193) 10.835 6.199 ( 1.000 -3.595 4.221) 5.634 6.222 ( 5.487 -0.246 2.590) 6.073 6.287 ( 0.660 -7.678 3.796) 8.591 6.339 ( 8.524 -10.549 4.395) 14.257 6.531 ( 8.172 8.186 8.917) 14.605 6.609 ( 8.962 2.810 6.893) 11.650 6.668 ( 7.854 2.856 8.975) 12.263 6.711 ( 3.499 2.402 5.019) 6.573 6.856 ( 0.283 2.816 0.542) 2.881 6.867 ( 6.137 1.991 1.179) 6.559 6.884 ( 0.810 -2.097 -1.015) 2.466 7.027 ( 1.529 -6.393 -2.327) 6.973 7.110 ( -1.707 0.380 3.502) 3.914 7.133 ( -3.498 -1.314 6.882) 7.831 7.309 ( -3.671 2.254 10.629) 11.469 7.331 ( -3.410 0.009 9.673) 10.257 7.434 ( 4.281 5.613 -0.455) 7.074 7.519 ( 0.643 -0.429 1.104) 1.347 7.577 ( 0.902 1.638 -0.448) 1.922 7.666 ( -0.025 -6.716 4.770) 8.238 7.709 ( 0.145 2.311 -0.436) 2.356 7.767 ( 4.419 -2.889 5.403) 7.554 7.963 ( 3.268 4.819 1.939) 6.138 8.035 ( 1.389 -1.968 -1.407) 2.789 8.147 ( -2.646 -0.196 4.475) 5.203 8.191 ( 0.755 -4.432 3.793) 5.882 8.364 ( -3.264 2.755 3.608) 5.591 8.400 ( -6.554 -0.503 2.306) 6.966 8.562 ( -4.744 7.725 4.441) 10.095 8.637 ( 0.442 6.187 1.773) 6.452 8.785 ( 1.309 -2.080 2.072) 3.214 8.850 ( 2.415 -4.643 -1.104) 5.349 9.003 ( -2.750 1.158 0.644) 3.053 9.022 ( 1.549 -0.763 -5.355) 5.627 9.125 ( -4.185 1.215 -0.882) 4.447 9.143 ( -6.149 0.398 -0.087) 6.163 9.176 ( -3.128 2.488 -1.392) 4.233 9.270 ( -5.529 -4.569 -0.742) 7.211 9.343 ( -2.582 1.930 0.569) 3.273 9.390 ( -2.637 -1.640 0.454) 3.138 9.452 ( -2.898 2.028 -2.446) 4.300 9.493 ( -2.673 -3.190 -3.159) 5.225 9.597 ( -11.184 0.869 -4.634) 12.137 9.614 ( -9.201 -0.055 -3.643) 9.896 9.647 ( -2.360 -0.593 -3.294) 4.095 9.707 ( -4.766 -3.546 -7.593) 9.640 9.925 ( -6.154 2.543 -2.968) 7.290 10.004 ( -8.065 -5.160 -6.276) 11.448 10.178 ( -8.371 4.664 4.057) 10.406 10.282 ( -7.205 -6.025 5.650) 10.961 10.341 ( -9.812 7.267 -3.672) 12.750 10.506 ( -7.930 -8.210 -2.564) 11.698 10.647 ( -1.469 7.772 -2.890) 8.421 10.778 ( -0.514 -3.505 -6.036) 6.999 11.074 ( -6.849 7.281 -3.816) 10.700 11.223 ( -7.390 -6.787 -9.116) 13.557 12.489 ( 12.472 5.050 1.324) 13.521 12.601 ( 10.817 -6.133 0.051) 12.435 12.804 ( 9.365 5.553 -7.295) 13.105 12.908 ( 9.133 -4.890 -8.620) 13.477 13.056 ( 4.927 5.198 0.813) 7.208 13.159 ( 5.897 -1.629 -2.556) 6.631 13.228 ( 0.132 -2.031 -1.988) 2.845 13.291 ( 0.272 -4.400 -4.329) 6.179 13.350 ( -4.964 3.303 -2.121) 6.328 13.441 ( -5.827 -5.258 -4.617) 9.105 13.621 ( -4.394 4.963 -7.692) 10.154 13.699 ( -4.443 -3.112 -9.807) 11.207 13.886 ( -0.130 9.190 -0.377) 9.199 14.034 ( -1.522 5.875 -3.962) 7.248 14.080 ( 1.439 -4.253 -1.420) 4.709 14.243 ( -2.290 -8.955 -5.968) 11.002 15.082 ( 4.896 9.779 4.886) 11.978 15.257 ( 3.854 -4.603 -0.726) 6.047 15.458 ( 3.574 0.993 -2.611) 4.537 15.601 ( 1.053 -10.381 -6.047) 12.060 15.851 ( 6.104 5.486 -1.178) 8.292 15.893 ( 8.034 1.624 -3.010) 8.732 16.628 ( -2.723 0.357 2.793) 3.917 16.644 ( 3.535 -1.077 3.705) 5.233 16.700 ( 6.683 2.373 2.391) 7.484 16.737 ( 0.575 -0.944 -0.917) 1.436 17.017 ( 0.442 1.381 4.902) 5.112 17.081 ( -0.792 -4.844 2.357) 5.445 17.498 ( -5.910 5.477 9.972) 12.820 17.562 ( -5.621 2.547 7.372) 9.614 17.660 ( -5.697 -1.141 9.726) 11.329 17.730 ( -6.221 -4.802 7.062) 10.565 24.236 ( 1.606 6.780 0.608) 6.994 24.295 ( 0.158 4.195 -1.531) 4.468 24.403 ( 0.043 -6.335 -0.489) 6.354 24.426 ( -0.414 -5.548 -0.899) 5.636 25.364 ( 2.523 0.669 2.662) 3.728 25.390 ( 2.802 -2.081 1.602) 3.840 25.506 ( 0.812 1.310 -0.795) 1.734 25.529 ( 1.265 -0.528 -2.070) 2.483 25.571 ( 0.625 0.795 -3.329) 3.479 25.592 ( 0.291 -1.136 -2.718) 2.960 25.654 ( 0.982 1.699 -2.713) 3.349 25.689 ( 1.093 -1.542 -4.510) 4.890 25.751 ( 0.434 3.105 -2.049) 3.745 25.774 ( 0.429 3.179 -2.718) 4.205 25.852 ( -0.866 -0.609 0.245) 1.086 25.908 ( -0.702 -3.954 -3.154) 5.107 27.370 ( 2.860 3.244 1.838) 4.699 27.444 ( 3.257 -4.243 1.182) 5.478 27.558 ( 1.135 3.089 -2.663) 4.234 27.590 ( 3.488 1.147 -2.306) 4.335 27.677 ( 4.831 -0.152 -4.103) 6.340 27.723 ( -2.120 -4.616 -2.332) 5.590 28.050 ( -6.529 5.330 -5.357) 9.986 28.140 ( -6.193 -3.598 -8.423) 11.056 28.973 ( 4.768 1.144 0.414) 4.921 28.999 ( 5.262 -1.415 0.812) 5.509 29.120 ( 3.753 1.282 -5.302) 6.621 29.147 ( 4.267 -1.338 -5.224) 6.876 30.537 ( -5.637 5.149 11.786) 14.043 30.642 ( -7.014 -4.852 7.766) 11.534 30.889 ( -15.013 3.659 5.589) 16.432 30.966 ( -15.097 -3.678 2.926) 15.811 ======================= Grid point 73 (32/40) ======================= q-point: ( 0.43 0.33 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.162 ( 4.479 5.437 9.385) 11.734 2.267 ( 7.475 -3.557 11.192) 13.920 2.417 ( -15.566 4.118 -1.537) 16.175 2.542 ( -13.694 -6.691 -0.010) 15.241 2.822 ( 7.455 7.189 7.670) 12.888 2.883 ( 6.626 3.408 2.811) 7.964 2.915 ( 9.129 1.179 0.993) 9.258 3.051 ( 1.516 -6.753 3.444) 7.730 3.107 ( 8.644 9.379 0.970) 12.791 3.257 ( 2.605 -0.703 1.285) 2.989 3.339 ( -0.468 -7.193 3.245) 7.905 3.383 ( 0.234 -6.097 4.573) 7.625 3.531 ( 0.797 -0.185 6.349) 6.401 3.548 ( 2.766 -0.780 4.063) 4.977 3.598 ( -5.131 2.057 3.563) 6.577 3.632 ( -5.793 -0.792 4.284) 7.248 3.750 ( -2.558 8.518 4.308) 9.882 3.804 ( -4.167 6.546 5.863) 9.726 3.872 ( -0.932 3.542 -0.434) 3.688 3.924 ( -3.334 4.258 -2.017) 5.772 3.973 ( 0.239 -1.815 3.632) 4.067 4.037 ( -5.112 -3.347 2.383) 6.559 4.139 ( 2.012 -8.381 -4.599) 9.769 4.164 ( -0.253 -8.745 -1.575) 8.890 4.414 ( 4.744 1.969 0.347) 5.148 4.462 ( 5.108 0.594 -2.285) 5.628 4.509 ( -1.020 -1.938 -1.358) 2.577 4.588 ( -3.433 -3.637 -3.103) 5.886 4.810 ( 0.596 5.629 -0.616) 5.694 4.858 ( -0.456 -1.409 -4.930) 5.147 4.909 ( -4.965 0.528 -3.356) 6.016 4.949 ( -5.297 -1.258 -4.701) 7.193 5.254 ( 5.553 4.434 -0.804) 7.151 5.332 ( 3.644 -1.103 2.697) 4.666 5.358 ( 0.287 0.641 -4.752) 4.804 5.448 ( -2.300 -6.090 0.252) 6.514 5.582 ( 4.775 0.700 1.891) 5.183 5.621 ( 5.682 -2.198 8.694) 10.616 5.644 ( 0.412 -1.812 1.139) 2.179 5.672 ( 0.005 -2.868 2.562) 3.846 5.798 ( 6.268 4.496 1.561) 7.870 5.813 ( 5.790 4.251 2.195) 7.511 5.861 ( 2.810 5.897 1.473) 6.696 5.904 ( -0.340 1.626 1.790) 2.442 6.053 ( 2.531 -3.667 4.994) 6.693 6.056 ( 5.424 -3.077 6.760) 9.197 6.126 ( -1.033 -0.687 10.394) 10.468 6.182 ( -3.403 -4.418 8.656) 10.297 6.299 ( 5.912 7.215 7.723) 12.110 6.340 ( 3.778 -0.227 3.464) 5.131 6.406 ( 8.872 -5.498 5.961) 12.020 6.492 ( 2.753 -8.579 6.776) 11.273 6.686 ( 5.872 4.410 7.153) 10.251 6.742 ( 3.692 1.390 5.427) 6.710 6.800 ( -1.075 0.975 5.147) 5.348 6.834 ( 0.618 1.118 6.770) 6.889 6.865 ( 9.748 2.543 7.296) 12.439 6.902 ( 4.856 -2.034 2.523) 5.839 7.011 ( 4.999 4.153 4.242) 7.761 7.016 ( -0.609 -0.854 4.477) 4.598 7.053 ( -4.620 0.663 5.720) 7.382 7.118 ( 3.662 -3.312 3.059) 5.808 7.263 ( -5.729 2.833 4.063) 7.573 7.308 ( -2.587 -1.595 3.749) 4.827 7.415 ( -1.288 3.555 2.286) 4.419 7.476 ( 1.149 -2.146 3.848) 4.554 7.532 ( -4.276 4.276 1.967) 6.359 7.636 ( -5.214 -5.469 3.708) 8.417 7.784 ( 8.721 2.392 2.641) 9.421 7.866 ( 6.112 -4.729 3.449) 8.462 7.999 ( -8.931 0.267 3.556) 9.616 8.010 ( -5.124 -0.442 2.836) 5.873 8.085 ( 5.901 5.059 3.751) 8.631 8.173 ( -1.020 -4.732 3.493) 5.969 8.246 ( -5.363 -0.723 3.034) 6.204 8.273 ( -5.447 -3.383 3.023) 7.089 8.548 ( 1.489 13.325 1.523) 13.494 8.607 ( -4.037 12.349 -0.206) 12.994 8.784 ( 0.780 -10.297 1.901) 10.500 8.818 ( -3.004 -8.640 -0.828) 9.185 9.015 ( 1.014 3.572 -2.822) 4.664 9.033 ( -1.331 2.401 -0.558) 2.801 9.076 ( 0.526 -2.115 -0.495) 2.235 9.103 ( 0.419 -3.482 -3.739) 5.126 9.168 ( 1.372 2.351 -2.989) 4.043 9.208 ( 0.946 -1.656 -3.301) 3.812 9.253 ( -3.932 3.375 -2.257) 5.652 9.279 ( -4.647 1.580 -1.575) 5.155 9.345 ( -7.232 1.280 -4.837) 8.794 9.380 ( -4.416 4.477 -4.932) 7.992 9.474 ( -1.901 -7.544 -5.102) 9.304 9.487 ( -1.926 -2.752 -4.046) 5.259 9.664 ( 3.207 1.440 -3.086) 4.678 9.709 ( 5.196 -2.414 -4.449) 7.254 9.785 ( -6.949 2.176 -1.763) 7.492 9.846 ( -7.016 -3.536 -3.825) 8.738 10.066 ( -0.908 6.883 1.695) 7.146 10.143 ( -6.914 7.652 -1.946) 10.495 10.226 ( 0.770 -8.845 2.231) 9.155 10.333 ( -8.010 -10.726 -2.341) 13.590 10.697 ( 6.026 10.402 -2.072) 12.199 10.813 ( 0.619 4.940 -6.795) 8.424 10.923 ( -3.593 -1.689 -2.488) 4.685 11.040 ( -9.198 -7.268 -7.261) 13.789 12.758 ( 12.301 4.056 -2.037) 13.111 12.846 ( 10.871 -4.142 -3.896) 12.269 12.941 ( 0.231 2.722 -5.468) 6.112 13.020 ( -1.535 -4.241 -6.565) 7.965 13.126 ( 1.195 4.576 -1.838) 5.074 13.180 ( -1.988 4.944 -2.441) 5.861 13.247 ( 1.001 -6.521 -1.918) 6.870 13.299 ( -3.043 -5.518 -2.462) 6.765 13.314 ( 5.904 2.402 -4.981) 8.089 13.378 ( 4.884 -3.297 -3.541) 6.874 13.482 ( -8.340 4.224 -9.418) 13.270 13.550 ( -9.020 -2.794 -10.012) 13.762 13.921 ( 2.953 10.395 -1.121) 10.864 13.986 ( -2.909 10.134 -4.071) 11.302 14.129 ( 2.804 -9.934 -0.964) 10.367 14.189 ( -2.816 -9.594 -3.587) 10.622 15.193 ( 5.379 12.097 1.452) 13.318 15.279 ( -1.856 9.882 -2.416) 10.341 15.496 ( 1.486 -14.329 0.349) 14.410 15.557 ( -3.704 -13.824 -2.222) 14.483 16.084 ( 13.846 9.675 0.211) 16.892 16.144 ( 12.478 4.700 -2.443) 13.555 16.449 ( -10.711 -1.305 1.008) 10.837 16.500 ( -11.541 -5.191 -1.315) 12.723 16.867 ( 6.948 3.409 4.610) 9.008 16.879 ( 6.740 3.014 4.239) 8.514 17.027 ( -0.489 -3.667 5.237) 6.412 17.055 ( -2.477 -5.698 4.242) 7.523 17.413 ( -1.280 8.666 8.800) 12.417 17.452 ( -4.306 8.404 7.149) 11.844 17.578 ( -1.346 -6.356 8.874) 10.998 17.613 ( -4.261 -6.344 7.480) 10.693 24.269 ( 1.410 6.229 0.310) 6.394 24.291 ( -0.614 5.571 -0.396) 5.619 24.407 ( 0.345 -6.626 -0.797) 6.682 24.416 ( -0.518 -6.105 -0.916) 6.195 25.422 ( 2.849 0.706 -0.185) 2.940 25.452 ( 2.936 -2.349 -1.137) 3.928 25.479 ( -2.151 0.594 -2.414) 3.288 25.515 ( -2.502 -2.989 -3.020) 4.931 25.608 ( 2.943 3.091 -2.268) 4.833 25.632 ( 1.981 0.537 -2.270) 3.060 25.663 ( -0.461 2.056 -3.503) 4.088 25.679 ( -1.706 0.054 -4.263) 4.592 25.773 ( 1.172 2.178 -1.277) 2.783 25.784 ( 0.304 3.656 -1.955) 4.157 25.842 ( 0.579 -2.820 -0.752) 2.976 25.878 ( -2.053 -3.921 -2.945) 5.316 27.439 ( 3.607 3.798 2.183) 5.675 27.507 ( -1.254 2.521 2.639) 3.859 27.536 ( 2.331 -3.543 -1.039) 4.367 27.616 ( -3.204 -5.925 -1.983) 7.022 27.750 ( 6.217 4.448 -4.522) 8.882 27.823 ( 7.894 -2.968 -7.308) 11.160 27.901 ( -7.516 5.531 -5.249) 10.707 27.991 ( -7.806 -3.600 -8.438) 12.046 29.082 ( 5.032 1.565 1.462) 5.469 29.118 ( 5.329 -1.876 1.673) 5.892 29.153 ( -1.023 1.604 -1.048) 2.172 29.189 ( -0.771 -1.916 -1.047) 2.315 30.479 ( 0.899 4.882 7.475) 8.973 30.544 ( -2.396 0.935 5.026) 5.645 30.631 ( -7.449 -0.941 6.194) 9.733 30.689 ( -10.023 -4.253 4.001) 11.599 ======================= Grid point 84 (33/40) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.974 ( 0.000 0.000 -0.711) 0.711 1.974 ( 0.000 0.000 0.711) 0.711 2.500 ( 0.000 0.000 -25.015) 25.015 2.500 ( 0.000 0.000 25.015) 25.015 2.987 ( 0.000 0.000 -14.985) 14.985 2.987 ( 0.000 0.000 14.985) 14.985 3.085 ( 0.000 0.000 -13.487) 13.487 3.085 ( 0.000 0.000 13.487) 13.487 3.119 ( 0.000 0.000 -6.820) 6.820 3.119 ( 0.000 0.000 6.820) 6.820 3.268 ( 0.000 0.000 -8.497) 8.497 3.268 ( 0.000 0.000 8.497) 8.497 3.619 ( 0.000 0.000 -7.233) 7.233 3.619 ( 0.000 0.000 7.233) 7.233 3.676 ( 0.000 0.000 -6.960) 6.960 3.676 ( 0.000 0.000 6.960) 6.960 3.745 ( 0.000 0.000 -5.329) 5.329 3.745 ( 0.000 0.000 5.329) 5.329 4.124 ( 0.000 0.000 -4.725) 4.725 4.124 ( 0.000 0.000 4.725) 4.725 4.199 ( 0.000 0.000 -14.497) 14.497 4.199 ( 0.000 0.000 14.497) 14.497 4.270 ( 0.000 0.000 -0.303) 0.303 4.270 ( 0.000 0.000 0.303) 0.303 4.380 ( 0.000 0.000 -4.609) 4.609 4.380 ( 0.000 0.000 4.609) 4.609 4.545 ( 0.000 0.000 -5.755) 5.755 4.545 ( 0.000 0.000 5.755) 5.755 4.766 ( 0.000 0.000 -3.919) 3.919 4.766 ( 0.000 0.000 3.919) 3.919 4.906 ( 0.000 0.000 -6.958) 6.958 4.906 ( 0.000 0.000 6.958) 6.958 4.982 ( 0.000 0.000 -4.255) 4.255 4.982 ( 0.000 0.000 4.255) 4.255 5.281 ( 0.000 0.000 -8.102) 8.102 5.281 ( 0.000 0.000 8.102) 8.102 5.341 ( 0.000 0.000 -4.548) 4.548 5.341 ( 0.000 0.000 4.548) 4.548 5.396 ( 0.000 0.000 -5.634) 5.634 5.396 ( 0.000 0.000 5.634) 5.634 5.668 ( 0.000 0.000 -1.158) 1.158 5.668 ( 0.000 0.000 1.158) 1.158 5.767 ( 0.000 0.000 -3.140) 3.140 5.767 ( 0.000 0.000 3.140) 3.140 5.937 ( 0.000 0.000 -5.031) 5.031 5.937 ( 0.000 0.000 5.031) 5.031 6.019 ( 0.000 0.000 -10.966) 10.966 6.019 ( 0.000 0.000 10.966) 10.966 6.215 ( 0.000 0.000 -12.317) 12.317 6.215 ( 0.000 0.000 12.317) 12.317 6.301 ( 0.000 0.000 -1.877) 1.877 6.301 ( 0.000 0.000 1.877) 1.877 6.413 ( 0.000 0.000 -4.691) 4.691 6.413 ( 0.000 0.000 4.691) 4.691 6.598 ( 0.000 0.000 -7.127) 7.127 6.598 ( 0.000 0.000 7.127) 7.127 6.621 ( 0.000 0.000 -15.414) 15.414 6.621 ( 0.000 0.000 15.414) 15.414 7.064 ( 0.000 0.000 -2.812) 2.812 7.064 ( 0.000 0.000 2.812) 2.812 7.065 ( 0.000 0.000 -0.055) 0.055 7.065 ( 0.000 0.000 0.055) 0.055 7.384 ( 0.000 0.000 -2.675) 2.675 7.384 ( 0.000 0.000 2.675) 2.675 7.401 ( 0.000 0.000 -3.448) 3.448 7.401 ( 0.000 0.000 3.448) 3.448 7.667 ( 0.000 0.000 -4.091) 4.091 7.667 ( 0.000 0.000 4.091) 4.091 7.779 ( 0.000 0.000 -7.233) 7.233 7.779 ( 0.000 0.000 7.233) 7.233 7.796 ( 0.000 0.000 -0.533) 0.533 7.796 ( 0.000 0.000 0.533) 0.533 8.273 ( 0.000 0.000 -4.240) 4.240 8.273 ( 0.000 0.000 4.240) 4.240 8.347 ( 0.000 0.000 -6.297) 6.297 8.347 ( 0.000 0.000 6.297) 6.297 8.738 ( 0.000 0.000 -1.915) 1.915 8.738 ( 0.000 0.000 1.915) 1.915 8.942 ( 0.000 0.000 -5.554) 5.554 8.942 ( 0.000 0.000 5.554) 5.554 9.067 ( 0.000 0.000 -8.510) 8.510 9.067 ( 0.000 0.000 8.510) 8.510 9.230 ( 0.000 0.000 -2.532) 2.532 9.230 ( 0.000 0.000 2.532) 2.532 9.386 ( 0.000 0.000 -2.812) 2.812 9.386 ( 0.000 0.000 2.812) 2.812 9.537 ( 0.000 0.000 -3.892) 3.892 9.537 ( 0.000 0.000 3.892) 3.892 9.576 ( 0.000 0.000 -5.753) 5.753 9.576 ( 0.000 0.000 5.753) 5.753 9.666 ( 0.000 0.000 -5.452) 5.452 9.666 ( 0.000 0.000 5.452) 5.452 9.755 ( 0.000 0.000 -15.981) 15.981 9.755 ( 0.000 0.000 15.981) 15.981 9.995 ( 0.000 0.000 -0.662) 0.662 9.995 ( 0.000 0.000 0.662) 0.662 10.524 ( 0.000 0.000 -4.912) 4.912 10.524 ( 0.000 0.000 4.912) 4.912 10.728 ( 0.000 0.000 -6.038) 6.038 10.728 ( 0.000 0.000 6.038) 6.038 10.796 ( 0.000 0.000 -4.244) 4.244 10.796 ( 0.000 0.000 4.244) 4.244 11.154 ( 0.000 0.000 -11.452) 11.452 11.154 ( 0.000 0.000 11.452) 11.452 12.228 ( 0.000 0.000 -8.412) 8.412 12.228 ( 0.000 0.000 8.412) 8.412 12.735 ( 0.000 0.000 -1.399) 1.399 12.735 ( 0.000 0.000 1.399) 1.399 12.942 ( 0.000 0.000 -2.648) 2.648 12.942 ( 0.000 0.000 2.648) 2.648 13.148 ( 0.000 0.000 -2.629) 2.629 13.148 ( 0.000 0.000 2.629) 2.629 13.442 ( 0.000 0.000 -3.797) 3.797 13.442 ( 0.000 0.000 3.797) 3.797 13.690 ( 0.000 0.000 -0.900) 0.900 13.690 ( 0.000 0.000 0.900) 0.900 13.850 ( 0.000 0.000 -4.643) 4.643 13.850 ( 0.000 0.000 4.643) 4.643 14.185 ( 0.000 0.000 -8.602) 8.602 14.185 ( 0.000 0.000 8.602) 8.602 15.122 ( 0.000 0.000 -10.745) 10.745 15.122 ( 0.000 0.000 10.745) 10.745 15.268 ( 0.000 0.000 -11.016) 11.016 15.268 ( 0.000 0.000 11.016) 11.016 15.786 ( 0.000 0.000 -0.201) 0.201 15.786 ( 0.000 0.000 0.201) 0.201 16.479 ( 0.000 0.000 -0.248) 0.248 16.479 ( 0.000 0.000 0.248) 0.248 16.698 ( 0.000 0.000 -0.356) 0.356 16.698 ( 0.000 0.000 0.356) 0.356 17.102 ( 0.000 0.000 -3.197) 3.197 17.102 ( 0.000 0.000 3.197) 3.197 17.757 ( 0.000 0.000 -1.305) 1.305 17.757 ( 0.000 0.000 1.305) 1.305 17.970 ( 0.000 0.000 -2.764) 2.764 17.970 ( 0.000 0.000 2.764) 2.764 24.181 ( 0.000 0.000 -3.631) 3.631 24.181 ( 0.000 0.000 3.631) 3.631 24.470 ( 0.000 0.000 -0.857) 0.857 24.470 ( 0.000 0.000 0.857) 0.857 25.455 ( 0.000 0.000 -3.144) 3.144 25.455 ( 0.000 0.000 3.144) 3.144 25.470 ( 0.000 0.000 -0.789) 0.789 25.470 ( 0.000 0.000 0.789) 0.789 25.523 ( 0.000 0.000 -4.450) 4.450 25.523 ( 0.000 0.000 4.450) 4.450 25.587 ( 0.000 0.000 -0.461) 0.461 25.587 ( 0.000 0.000 0.461) 0.461 25.670 ( 0.000 0.000 -1.778) 1.778 25.670 ( 0.000 0.000 1.778) 1.778 25.905 ( 0.000 0.000 -1.239) 1.239 25.905 ( 0.000 0.000 1.239) 1.239 27.324 ( 0.000 0.000 -3.671) 3.671 27.324 ( 0.000 0.000 3.671) 3.671 27.470 ( 0.000 0.000 -0.588) 0.588 27.470 ( 0.000 0.000 0.588) 0.588 27.709 ( 0.000 0.000 -7.578) 7.578 27.709 ( 0.000 0.000 7.578) 7.578 28.168 ( 0.000 0.000 -4.995) 4.995 28.168 ( 0.000 0.000 4.995) 4.995 28.854 ( 0.000 0.000 -1.026) 1.026 28.854 ( 0.000 0.000 1.026) 1.026 28.893 ( 0.000 0.000 -1.031) 1.031 28.893 ( 0.000 0.000 1.031) 1.031 30.898 ( 0.000 0.000 -6.000) 6.000 30.898 ( 0.000 0.000 6.000) 6.000 31.398 ( 0.000 0.000 -2.761) 2.761 31.398 ( 0.000 0.000 2.761) 2.761 ======================= Grid point 86 (34/40) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 15.289 0.000 -0.377) 15.294 2.146 ( 15.289 0.000 0.377) 15.294 2.491 ( -1.134 0.000 -22.238) 22.267 2.491 ( -1.134 0.000 22.238) 22.267 2.951 ( -2.656 0.000 -1.750) 3.181 2.951 ( -2.656 0.000 1.750) 3.181 3.033 ( -9.747 0.000 -5.533) 11.208 3.033 ( -9.747 0.000 5.533) 11.208 3.153 ( 3.917 0.000 -14.983) 15.487 3.153 ( 3.917 0.000 14.983) 15.487 3.307 ( 5.047 0.000 -6.778) 8.451 3.307 ( 5.047 0.000 6.778) 8.451 3.492 ( -3.654 0.000 -7.409) 8.261 3.492 ( -3.654 0.000 7.409) 8.261 3.711 ( 1.778 0.000 -4.058) 4.431 3.711 ( 1.778 0.000 4.058) 4.431 3.812 ( -2.169 0.000 -4.724) 5.198 3.812 ( -2.169 0.000 4.724) 5.198 4.027 ( -5.887 0.000 -6.871) 9.048 4.027 ( -5.887 0.000 6.871) 9.048 4.251 ( 0.857 0.000 -6.229) 6.288 4.251 ( 0.857 0.000 6.229) 6.288 4.253 ( -3.712 0.000 -1.879) 4.161 4.253 ( -3.712 0.000 1.879) 4.161 4.344 ( 6.199 0.000 -8.086) 10.189 4.344 ( 6.199 0.000 8.086) 10.189 4.552 ( -0.094 0.000 -1.991) 1.993 4.552 ( -0.094 0.000 1.991) 1.993 4.873 ( 4.941 0.000 -10.260) 11.388 4.873 ( 4.941 0.000 10.260) 11.388 4.874 ( -0.636 0.000 -2.498) 2.578 4.874 ( -0.636 0.000 2.498) 2.578 5.063 ( 1.668 0.000 -5.401) 5.652 5.063 ( 1.668 0.000 5.401) 5.652 5.304 ( 1.835 0.000 -2.164) 2.837 5.304 ( 1.835 0.000 2.164) 2.837 5.323 ( 6.050 0.000 -4.482) 7.530 5.323 ( 6.050 0.000 4.482) 7.530 5.428 ( 3.299 0.000 -1.332) 3.557 5.428 ( 3.299 0.000 1.332) 3.557 5.687 ( 1.084 0.000 -2.363) 2.599 5.687 ( 1.084 0.000 2.363) 2.599 5.696 ( -3.091 0.000 -7.896) 8.479 5.696 ( -3.091 0.000 7.896) 8.479 6.025 ( 5.794 0.000 -2.262) 6.220 6.025 ( 5.794 0.000 2.262) 6.220 6.075 ( 3.115 0.000 -8.930) 9.458 6.075 ( 3.115 0.000 8.930) 9.458 6.317 ( 5.271 0.000 -6.263) 8.186 6.317 ( 5.271 0.000 6.263) 8.186 6.321 ( 3.850 0.000 -2.600) 4.646 6.321 ( 3.850 0.000 2.600) 4.646 6.481 ( 5.745 0.000 -3.437) 6.694 6.481 ( 5.745 0.000 3.437) 6.694 6.588 ( -0.341 0.000 -6.900) 6.908 6.588 ( -0.341 0.000 6.900) 6.908 6.635 ( 4.626 0.000 -10.448) 11.426 6.635 ( 4.626 0.000 10.448) 11.426 7.027 ( -2.862 0.000 -3.239) 4.322 7.027 ( -2.862 0.000 3.239) 4.322 7.112 ( 4.422 0.000 -3.813) 5.839 7.112 ( 4.422 0.000 3.813) 5.839 7.431 ( 2.371 0.000 -3.341) 4.097 7.431 ( 2.371 0.000 3.342) 4.097 7.455 ( 2.949 0.000 -2.200) 3.679 7.455 ( 2.949 0.000 2.200) 3.679 7.667 ( -1.674 0.000 -3.786) 4.140 7.667 ( -1.674 0.000 3.787) 4.140 7.809 ( 4.197 0.000 -11.424) 12.170 7.809 ( 4.197 0.000 11.424) 12.170 7.822 ( 3.302 0.000 -0.895) 3.421 7.822 ( 3.302 0.000 0.895) 3.421 8.243 ( -2.481 0.000 -3.480) 4.273 8.243 ( -2.481 0.000 3.480) 4.273 8.361 ( 1.296 0.000 -5.302) 5.458 8.361 ( 1.296 0.000 5.302) 5.458 8.764 ( 2.403 0.000 -3.027) 3.865 8.764 ( 2.403 0.000 3.027) 3.865 8.804 ( -11.115 0.000 -2.698) 11.438 8.804 ( -11.115 0.000 2.698) 11.438 9.043 ( -1.765 0.000 -8.245) 8.432 9.043 ( -1.765 0.000 8.245) 8.432 9.216 ( -1.503 0.000 -1.537) 2.149 9.216 ( -1.503 0.000 1.537) 2.149 9.356 ( -0.893 0.000 -5.029) 5.108 9.356 ( -0.893 0.000 5.029) 5.108 9.467 ( -5.596 0.000 -0.183) 5.599 9.467 ( -5.596 0.000 0.183) 5.599 9.544 ( -10.115 0.000 -16.128) 19.037 9.544 ( -10.115 0.000 16.128) 19.037 9.644 ( -2.889 0.000 -6.845) 7.429 9.644 ( -2.889 0.000 6.845) 7.429 9.712 ( 1.373 0.000 -3.512) 3.771 9.712 ( 1.373 0.000 3.512) 3.771 10.003 ( -1.352 0.000 -4.895) 5.079 10.003 ( -1.352 0.000 4.895) 5.079 10.412 ( -9.510 0.000 -3.901) 10.279 10.412 ( -9.510 0.000 3.901) 10.279 10.680 ( -8.858 0.000 -6.172) 10.796 10.680 ( -8.858 0.000 6.172) 10.796 10.684 ( -4.272 0.000 -7.485) 8.618 10.684 ( -4.272 0.000 7.485) 8.618 11.159 ( -0.656 0.000 -9.750) 9.772 11.159 ( -0.656 0.000 9.750) 9.772 12.320 ( 8.150 0.000 -8.104) 11.494 12.320 ( 8.150 0.000 8.104) 11.494 12.711 ( 0.577 0.000 -4.679) 4.715 12.711 ( 0.577 0.000 4.679) 4.715 12.980 ( 3.295 0.000 -3.179) 4.579 12.980 ( 3.295 0.000 3.179) 4.579 13.239 ( 5.706 0.000 -2.603) 6.272 13.239 ( 5.706 0.000 2.603) 6.272 13.415 ( -2.579 0.000 -4.520) 5.204 13.415 ( -2.579 0.000 4.520) 5.204 13.665 ( -2.565 0.000 -3.013) 3.957 13.665 ( -2.565 0.000 3.013) 3.957 13.836 ( -1.166 0.000 -4.657) 4.800 13.836 ( -1.166 0.000 4.657) 4.800 14.199 ( 1.285 0.000 -7.692) 7.799 14.199 ( 1.285 0.000 7.692) 7.799 15.118 ( -0.375 0.000 -9.740) 9.748 15.118 ( -0.375 0.000 9.740) 9.748 15.365 ( 9.256 0.000 -9.700) 13.408 15.365 ( 9.256 0.000 9.700) 13.408 15.778 ( -0.793 0.000 -0.611) 1.001 15.778 ( -0.793 0.000 0.611) 1.001 16.546 ( 6.111 0.000 -0.287) 6.118 16.546 ( 6.111 0.000 0.287) 6.118 16.717 ( 0.852 0.000 -2.126) 2.290 16.717 ( 0.852 0.000 2.126) 2.290 17.095 ( -0.226 0.000 -3.699) 3.706 17.095 ( -0.226 0.000 3.699) 3.706 17.700 ( -5.218 0.000 -1.571) 5.450 17.700 ( -5.218 0.000 1.571) 5.450 17.926 ( -3.976 0.000 -2.783) 4.854 17.926 ( -3.976 0.000 2.783) 4.854 24.189 ( 0.729 0.000 -3.272) 3.352 24.189 ( 0.729 0.000 3.272) 3.352 24.469 ( -0.077 0.000 -0.774) 0.778 24.469 ( -0.077 0.000 0.774) 0.778 25.443 ( -0.748 0.000 -5.621) 5.671 25.443 ( -0.748 0.000 5.621) 5.671 25.484 ( 1.224 0.000 -1.404) 1.863 25.484 ( 1.224 0.000 1.404) 1.863 25.514 ( -0.370 0.000 -7.476) 7.486 25.514 ( -0.370 0.000 7.476) 7.486 25.626 ( 2.886 0.000 -0.450) 2.921 25.626 ( 2.886 0.000 0.450) 2.921 25.660 ( -0.837 0.000 -1.850) 2.030 25.660 ( -0.837 0.000 1.850) 2.030 25.904 ( -0.171 0.000 -1.482) 1.492 25.904 ( -0.171 0.000 1.482) 1.492 27.345 ( 1.910 0.000 -3.868) 4.314 27.345 ( 1.910 0.000 3.868) 4.314 27.502 ( 2.985 0.000 -1.682) 3.426 27.502 ( 2.985 0.000 1.682) 3.426 27.693 ( -1.455 0.000 -7.382) 7.524 27.693 ( -1.455 0.000 7.382) 7.524 28.128 ( -3.682 0.000 -5.093) 6.284 28.128 ( -3.682 0.000 5.093) 6.284 28.899 ( 4.102 0.000 -3.032) 5.101 28.899 ( 4.102 0.000 3.032) 5.101 28.945 ( 4.673 0.000 -2.989) 5.547 28.945 ( 4.673 0.000 2.989) 5.547 30.829 ( -6.237 0.000 -5.953) 8.622 30.829 ( -6.237 0.000 5.953) 8.622 31.274 ( -11.122 0.000 -3.361) 11.619 31.274 ( -11.122 0.000 3.361) 11.619 ======================= Grid point 88 (35/40) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( -6.063 0.000 -13.336) 14.649 2.428 ( -6.063 0.000 13.336) 14.649 2.540 ( 20.378 0.000 -0.336) 20.381 2.540 ( 20.378 0.000 0.336) 20.381 2.739 ( -14.097 0.000 -10.755) 17.731 2.739 ( -14.097 0.000 10.755) 17.731 2.894 ( -2.135 0.000 -8.698) 8.956 2.894 ( -2.135 0.000 8.698) 8.956 3.212 ( 1.270 0.000 -11.197) 11.268 3.212 ( 1.270 0.000 11.197) 11.268 3.436 ( 5.454 0.000 -4.817) 7.276 3.436 ( 5.454 0.000 4.817) 7.276 3.523 ( 4.767 0.000 -5.947) 7.622 3.523 ( 4.767 0.000 5.947) 7.622 3.725 ( 0.340 0.000 -4.933) 4.945 3.725 ( 0.340 0.000 4.933) 4.945 3.740 ( -2.778 0.000 -2.229) 3.561 3.740 ( -2.778 0.000 2.229) 3.561 3.906 ( -7.208 0.000 -6.313) 9.582 3.906 ( -7.208 0.000 6.313) 9.582 4.171 ( -1.371 0.000 -2.384) 2.750 4.171 ( -1.371 0.000 2.384) 2.750 4.183 ( -4.212 0.000 -2.733) 5.020 4.183 ( -4.212 0.000 2.733) 5.020 4.509 ( -3.453 0.000 -9.881) 10.467 4.509 ( -3.453 0.000 9.881) 10.467 4.522 ( 4.355 0.000 -1.451) 4.590 4.522 ( 4.355 0.000 1.451) 4.590 4.827 ( -5.263 0.000 -5.910) 7.914 4.827 ( -5.263 0.000 5.910) 7.914 5.005 ( -4.531 0.000 -2.371) 5.114 5.005 ( -4.531 0.000 2.371) 5.114 5.028 ( 11.329 0.000 -7.338) 13.498 5.028 ( 11.329 0.000 7.338) 13.498 5.413 ( 2.074 0.000 -5.831) 6.189 5.413 ( 2.074 0.000 5.831) 6.189 5.501 ( 13.528 0.000 -3.218) 13.906 5.501 ( 13.528 0.000 3.218) 13.906 5.589 ( 8.407 0.000 -3.654) 9.166 5.589 ( 8.407 0.000 3.654) 9.166 5.698 ( 0.144 0.000 -0.911) 0.922 5.698 ( 0.144 0.000 0.911) 0.922 5.743 ( 7.980 0.000 -9.485) 12.395 5.743 ( 7.980 0.000 9.485) 12.395 6.115 ( 2.243 0.000 -1.085) 2.492 6.115 ( 2.243 0.000 1.085) 2.492 6.117 ( 3.785 0.000 -2.522) 4.549 6.117 ( 3.785 0.000 2.522) 4.549 6.342 ( -0.621 0.000 -6.070) 6.102 6.342 ( -0.621 0.000 6.070) 6.102 6.495 ( 10.024 0.000 -5.093) 11.243 6.495 ( 10.024 0.000 5.093) 11.243 6.615 ( 4.337 0.000 -6.963) 8.203 6.615 ( 4.337 0.000 6.963) 8.203 6.630 ( 7.846 0.000 -5.993) 9.873 6.630 ( 7.846 0.000 5.993) 9.873 6.871 ( 15.088 0.000 -4.729) 15.811 6.871 ( 15.088 0.000 4.729) 15.811 6.979 ( -1.014 0.000 -5.453) 5.546 6.979 ( -1.014 0.000 5.453) 5.546 7.194 ( 0.301 0.000 -6.259) 6.266 7.194 ( 0.301 0.000 6.259) 6.266 7.399 ( -6.025 0.000 -5.051) 7.862 7.399 ( -6.025 0.000 5.051) 7.862 7.503 ( 4.961 0.000 -4.676) 6.817 7.503 ( 4.961 0.000 4.676) 6.817 7.593 ( -4.891 0.000 -7.542) 8.989 7.593 ( -4.891 0.000 7.542) 8.989 7.916 ( 3.287 0.000 -2.452) 4.101 7.916 ( 3.287 0.000 2.452) 4.101 7.925 ( 4.875 0.000 -10.306) 11.401 7.925 ( 4.875 0.000 10.306) 11.401 8.202 ( -0.726 0.000 -3.084) 3.168 8.202 ( -0.726 0.000 3.084) 3.168 8.389 ( 1.035 0.000 -3.208) 3.371 8.389 ( 1.035 0.000 3.208) 3.371 8.555 ( -11.787 0.000 -1.295) 11.858 8.555 ( -11.787 0.000 1.295) 11.858 8.834 ( 3.827 0.000 -3.040) 4.888 8.834 ( 3.827 0.000 3.040) 4.888 9.020 ( -0.113 0.000 -5.559) 5.561 9.020 ( -0.113 0.000 5.559) 5.561 9.152 ( -5.150 0.000 -2.416) 5.689 9.152 ( -5.150 0.000 2.416) 5.689 9.237 ( -9.655 0.000 -14.046) 17.044 9.237 ( -9.655 0.000 14.046) 17.044 9.338 ( -5.854 0.000 -2.431) 6.338 9.338 ( -5.854 0.000 2.431) 6.338 9.426 ( -1.286 0.000 -1.748) 2.170 9.426 ( -1.286 0.000 1.748) 2.170 9.554 ( -4.492 0.000 -5.552) 7.142 9.554 ( -4.492 0.000 5.552) 7.142 9.632 ( -7.724 0.000 -0.838) 7.769 9.632 ( -7.724 0.000 0.838) 7.769 9.928 ( -5.368 0.000 -4.258) 6.852 9.928 ( -5.368 0.000 4.258) 6.852 10.190 ( -10.437 0.000 -3.247) 10.931 10.190 ( -10.437 0.000 3.247) 10.931 10.551 ( -1.444 0.000 -7.567) 7.704 10.551 ( -1.444 0.000 7.567) 7.704 10.555 ( -7.548 0.000 -6.864) 10.202 10.555 ( -7.548 0.000 6.864) 10.202 11.096 ( -5.226 0.000 -7.552) 9.184 11.096 ( -5.226 0.000 7.552) 9.184 12.532 ( 11.161 0.000 -7.078) 13.216 12.532 ( 11.161 0.000 7.078) 13.216 12.808 ( 8.134 0.000 -6.727) 10.555 12.808 ( 8.134 0.000 6.727) 10.555 13.051 ( 2.579 0.000 -3.551) 4.389 13.051 ( 2.579 0.000 3.551) 4.389 13.319 ( 1.764 0.000 -1.252) 2.163 13.319 ( 1.764 0.000 1.252) 2.163 13.341 ( -4.136 0.000 -5.983) 7.274 13.341 ( -4.136 0.000 5.983) 7.274 13.577 ( -5.755 0.000 -4.923) 7.573 13.577 ( -5.755 0.000 4.923) 7.573 13.812 ( -0.910 0.000 -4.136) 4.235 13.812 ( -0.910 0.000 4.136) 4.235 14.227 ( 1.061 0.000 -4.701) 4.819 14.227 ( 1.061 0.000 4.701) 4.819 15.111 ( -0.186 0.000 -6.953) 6.955 15.111 ( -0.186 0.000 6.953) 6.955 15.636 ( 15.618 0.000 -6.869) 17.062 15.636 ( 15.618 0.000 6.869) 17.062 15.754 ( -1.421 0.000 -1.570) 2.118 15.754 ( -1.421 0.000 1.570) 2.118 16.679 ( -5.304 0.000 -2.868) 6.030 16.679 ( -5.304 0.000 2.868) 6.030 16.711 ( 8.882 0.000 -0.503) 8.896 16.711 ( 8.882 0.000 0.503) 8.896 17.116 ( 2.388 0.000 -3.489) 4.228 17.116 ( 2.388 0.000 3.489) 4.228 17.556 ( -7.978 0.000 -1.739) 8.165 17.556 ( -7.978 0.000 1.739) 8.165 17.825 ( -4.965 0.000 -2.289) 5.467 17.825 ( -4.965 0.000 2.289) 5.467 24.208 ( 0.945 0.000 -2.272) 2.461 24.208 ( 0.945 0.000 2.272) 2.461 24.467 ( -0.155 0.000 -0.551) 0.572 24.467 ( -0.155 0.000 0.551) 0.572 25.435 ( -0.008 0.000 -4.162) 4.162 25.435 ( -0.008 0.000 4.162) 4.162 25.510 ( -0.031 0.000 -6.287) 6.287 25.510 ( -0.031 0.000 6.287) 6.287 25.517 ( 1.808 0.000 -2.087) 2.761 25.517 ( 1.808 0.000 2.087) 2.761 25.638 ( -1.235 0.000 -1.922) 2.284 25.638 ( -1.235 0.000 1.922) 2.284 25.687 ( 2.755 0.000 -0.182) 2.761 25.687 ( 2.755 0.000 0.182) 2.761 25.895 ( -0.765 0.000 -1.717) 1.880 25.895 ( -0.765 0.000 1.717) 1.880 27.401 ( 3.391 0.000 -4.392) 5.549 27.401 ( 3.391 0.000 4.392) 5.549 27.592 ( 5.478 0.000 -3.249) 6.369 27.592 ( 5.478 0.000 3.249) 6.369 27.648 ( -2.828 0.000 -6.806) 7.370 27.648 ( -2.828 0.000 6.806) 7.370 28.021 ( -6.285 0.000 -5.240) 8.183 28.021 ( -6.285 0.000 5.240) 8.183 29.007 ( 5.583 0.000 -3.938) 6.832 29.007 ( 5.583 0.000 3.938) 6.832 29.068 ( 6.446 0.000 -3.815) 7.490 29.068 ( 6.446 0.000 3.815) 7.490 30.667 ( -8.289 0.000 -5.132) 9.749 30.667 ( -8.289 0.000 5.132) 9.749 30.991 ( -14.191 0.000 -3.781) 14.686 30.991 ( -14.191 0.000 3.781) 14.686 ======================= Grid point 90 (36/40) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.247 ( -7.246 0.000 -5.110) 8.867 2.247 ( -7.246 0.000 5.110) 8.867 2.578 ( -2.530 0.000 -6.699) 7.161 2.578 ( -2.530 0.000 6.699) 7.161 2.847 ( 2.283 0.000 -3.190) 3.923 2.847 ( 2.283 0.000 3.190) 3.923 2.928 ( 8.266 0.000 -3.670) 9.044 2.928 ( 8.266 0.000 3.670) 9.044 3.227 ( 2.817 0.000 -4.918) 5.667 3.227 ( 2.817 0.000 4.918) 5.667 3.502 ( -2.032 0.000 -2.940) 3.574 3.502 ( -2.032 0.000 2.940) 3.574 3.613 ( 2.751 0.000 -4.239) 5.054 3.613 ( 2.751 0.000 4.239) 5.054 3.664 ( -3.685 0.000 -3.374) 4.996 3.664 ( -3.685 0.000 3.374) 4.996 3.704 ( -0.851 0.000 -2.098) 2.264 3.704 ( -0.850 0.000 2.098) 2.264 3.799 ( -1.748 0.000 -0.264) 1.768 3.799 ( -1.748 0.000 0.264) 1.768 4.117 ( -1.644 0.000 -2.156) 2.711 4.117 ( -1.644 0.000 2.156) 2.711 4.210 ( 3.187 0.000 -1.588) 3.561 4.210 ( 3.187 0.000 1.588) 3.561 4.437 ( -2.804 0.000 -6.160) 6.769 4.437 ( -2.804 0.000 6.160) 6.769 4.555 ( 0.248 0.000 -2.571) 2.583 4.555 ( 0.248 0.000 2.571) 2.583 4.742 ( -1.039 0.000 -4.399) 4.520 4.742 ( -1.039 0.000 4.399) 4.520 4.874 ( -6.368 0.000 -1.312) 6.502 4.874 ( -6.368 0.000 1.312) 6.502 5.231 ( 5.538 0.000 -4.379) 7.060 5.231 ( 5.538 0.000 4.379) 7.060 5.465 ( 3.393 0.000 -7.219) 7.976 5.465 ( 3.393 0.000 7.219) 7.976 5.603 ( -4.110 0.000 -5.000) 6.472 5.603 ( -4.110 0.000 5.000) 6.472 5.730 ( 1.257 0.000 -0.488) 1.349 5.730 ( 1.257 0.000 0.488) 1.349 5.767 ( 9.471 0.000 -0.389) 9.479 5.767 ( 9.471 0.000 0.389) 9.479 5.902 ( 2.798 0.000 -3.045) 4.135 5.902 ( 2.798 0.000 3.045) 4.135 6.155 ( 3.344 0.000 -3.823) 5.079 6.155 ( 3.344 0.000 3.823) 5.079 6.265 ( 6.333 0.000 -1.687) 6.553 6.265 ( 6.333 0.000 1.687) 6.553 6.337 ( -0.704 0.000 -4.891) 4.941 6.337 ( -0.704 0.000 4.891) 4.941 6.619 ( 3.372 0.000 -0.872) 3.483 6.619 ( 3.372 0.000 0.872) 3.483 6.788 ( 8.124 0.000 -6.603) 10.469 6.788 ( 8.124 0.000 6.603) 10.469 6.834 ( 13.262 0.000 -3.085) 13.616 6.834 ( 13.262 0.000 3.085) 13.616 6.992 ( -8.405 0.000 -3.150) 8.976 6.992 ( -8.405 0.000 3.150) 8.976 6.996 ( 2.368 0.000 -4.606) 5.179 6.996 ( 2.368 0.000 4.606) 5.179 7.203 ( -11.688 0.000 -4.216) 12.425 7.203 ( -11.688 0.000 4.216) 12.425 7.288 ( 13.535 0.000 -6.395) 14.970 7.288 ( 13.535 0.000 6.395) 14.970 7.470 ( -5.576 0.000 -4.590) 7.222 7.470 ( -5.576 0.000 4.590) 7.222 7.654 ( 3.065 0.000 -5.784) 6.546 7.654 ( 3.065 0.000 5.784) 6.546 7.937 ( 1.837 0.000 -7.062) 7.297 7.937 ( 1.837 0.000 7.062) 7.297 7.966 ( -0.302 0.000 -4.322) 4.332 7.966 ( -0.302 0.000 4.322) 4.332 8.183 ( -1.676 0.000 -8.368) 8.534 8.183 ( -1.676 0.000 8.368) 8.534 8.327 ( -9.255 0.000 -4.046) 10.100 8.327 ( -9.255 0.000 4.046) 10.100 8.406 ( 0.557 0.000 -1.029) 1.170 8.406 ( 0.557 0.000 1.029) 1.170 8.891 ( 1.502 0.000 -1.384) 2.043 8.891 ( 1.502 0.000 1.384) 2.043 9.030 ( 0.180 0.000 -2.458) 2.464 9.030 ( 0.180 0.000 2.458) 2.464 9.031 ( -3.413 0.000 -2.693) 4.347 9.031 ( -3.413 0.000 2.693) 4.347 9.134 ( 0.062 0.000 -2.113) 2.113 9.134 ( 0.062 0.000 2.113) 2.113 9.256 ( -10.549 0.000 -3.008) 10.970 9.256 ( -10.549 0.000 3.008) 10.970 9.259 ( -1.375 0.000 -2.763) 3.086 9.259 ( -1.375 0.000 2.763) 3.086 9.499 ( -0.755 0.000 -2.113) 2.244 9.499 ( -0.755 0.000 2.113) 2.244 9.623 ( 4.504 0.000 -3.016) 5.421 9.623 ( 4.504 0.000 3.016) 5.421 9.797 ( -6.158 0.000 -3.152) 6.918 9.797 ( -6.158 0.000 3.152) 6.918 10.022 ( -4.639 0.000 -1.759) 4.962 10.022 ( -4.639 0.000 1.759) 4.962 10.413 ( -4.574 0.000 -3.129) 5.542 10.413 ( -4.574 0.000 3.129) 5.542 10.594 ( 3.288 0.000 -4.273) 5.392 10.594 ( 3.288 0.000 4.273) 5.392 10.973 ( -4.926 0.000 -4.177) 6.459 10.973 ( -4.926 0.000 4.177) 6.459 12.744 ( 7.525 0.000 -4.022) 8.532 12.744 ( 7.525 0.000 4.022) 8.532 12.992 ( 7.241 0.000 -4.743) 8.656 12.992 ( 7.241 0.000 4.743) 8.656 13.054 ( -2.121 0.000 -1.506) 2.601 13.054 ( -2.121 0.000 1.506) 2.601 13.274 ( -1.576 0.000 -3.442) 3.785 13.274 ( -1.576 0.000 3.442) 3.785 13.319 ( -1.544 0.000 -1.768) 2.347 13.319 ( -1.544 0.000 1.768) 2.347 13.457 ( -4.020 0.000 -3.200) 5.138 13.457 ( -4.020 0.000 3.200) 5.138 13.801 ( -0.158 0.000 -1.787) 1.794 13.801 ( -0.158 0.000 1.787) 1.794 14.240 ( 0.246 0.000 -1.452) 1.473 14.240 ( 0.246 0.000 1.452) 1.473 15.110 ( 0.059 0.000 -2.593) 2.594 15.110 ( 0.059 0.000 2.593) 2.594 15.727 ( -0.834 0.000 -0.901) 1.228 15.727 ( -0.834 0.000 0.901) 1.228 15.950 ( 11.685 0.000 -3.432) 12.178 15.950 ( 11.685 0.000 3.432) 12.178 16.519 ( -7.750 0.000 -2.066) 8.020 16.519 ( -7.750 0.000 2.066) 8.020 16.877 ( 5.575 0.000 -0.367) 5.588 16.877 ( 5.575 0.000 0.367) 5.588 17.168 ( 1.735 0.000 -1.371) 2.211 17.168 ( 1.735 0.000 1.371) 2.211 17.403 ( -5.235 0.000 -0.926) 5.317 17.403 ( -5.235 0.000 0.926) 5.317 17.744 ( -2.267 0.000 -0.895) 2.437 17.744 ( -2.267 0.000 0.895) 2.437 24.224 ( 0.438 0.000 -0.817) 0.927 24.224 ( 0.438 0.000 0.817) 0.927 24.464 ( -0.094 0.000 -0.206) 0.226 24.464 ( -0.094 0.000 0.206) 0.226 25.439 ( 0.245 0.000 -1.367) 1.388 25.439 ( 0.245 0.000 1.367) 1.388 25.510 ( -0.055 0.000 -2.503) 2.504 25.510 ( -0.055 0.000 2.503) 2.504 25.552 ( 1.325 0.000 -1.654) 2.119 25.552 ( 1.325 0.000 1.654) 2.119 25.612 ( -1.042 0.000 -1.472) 1.804 25.612 ( -1.042 0.000 1.472) 1.804 25.734 ( 1.455 0.000 -0.241) 1.475 25.734 ( 1.455 0.000 0.241) 1.475 25.876 ( -0.788 0.000 -0.964) 1.245 25.876 ( -0.788 0.000 0.964) 1.245 27.478 ( 3.551 0.000 -4.470) 5.709 27.478 ( 3.551 0.000 4.470) 5.709 27.581 ( -3.299 0.000 -5.323) 6.263 27.581 ( -3.299 0.000 5.323) 6.263 27.724 ( 6.989 0.000 -4.529) 8.328 27.724 ( 6.989 0.000 4.529) 8.328 27.876 ( -7.329 0.000 -5.162) 8.964 27.876 ( -7.329 0.000 5.162) 8.964 29.102 ( 2.769 0.000 -1.915) 3.367 29.102 ( 2.769 0.000 1.915) 3.367 29.179 ( 3.312 0.000 -1.869) 3.803 29.179 ( 3.312 0.000 1.869) 3.803 30.528 ( -3.988 0.000 -2.223) 4.566 30.528 ( -3.988 0.000 2.223) 4.566 30.755 ( -6.664 0.000 -1.867) 6.921 30.755 ( -6.664 0.000 1.867) 6.921 ======================= Grid point 98 (37/40) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.972 ( 0.000 -0.103 -0.296) 0.313 1.972 ( 0.000 -0.103 0.296) 0.313 2.508 ( 0.000 0.609 -12.275) 12.290 2.508 ( 0.000 0.609 12.275) 12.290 2.949 ( 0.000 -3.051 -4.824) 5.708 2.949 ( 0.000 -3.051 4.824) 5.708 3.116 ( 0.000 3.705 -8.754) 9.506 3.116 ( 0.000 3.705 8.754) 9.506 3.181 ( 0.000 3.973 -1.922) 4.414 3.181 ( 0.000 3.973 1.922) 4.414 3.250 ( 0.000 -2.218 -9.355) 9.614 3.250 ( 0.000 -2.218 9.355) 9.614 3.622 ( 0.000 0.006 -1.955) 1.955 3.622 ( 0.000 0.006 1.955) 1.955 3.716 ( 0.000 3.816 -1.902) 4.264 3.716 ( 0.000 3.816 1.902) 4.264 3.844 ( 0.000 7.535 -2.402) 7.909 3.844 ( 0.000 7.535 2.403) 7.909 4.061 ( 0.000 -7.523 -2.381) 7.891 4.061 ( 0.000 -7.523 2.381) 7.891 4.203 ( 0.000 -0.000 -10.394) 10.394 4.203 ( 0.000 -0.000 10.394) 10.394 4.214 ( 0.000 -0.174 -6.398) 6.400 4.214 ( 0.000 -0.174 6.398) 6.400 4.286 ( 0.000 -7.387 -4.642) 8.725 4.286 ( 0.000 -7.387 4.642) 8.725 4.495 ( 0.000 -3.413 -1.501) 3.728 4.495 ( 0.000 -3.413 1.501) 3.728 4.778 ( 0.000 0.836 -1.427) 1.654 4.778 ( 0.000 0.836 1.427) 1.654 4.875 ( 0.000 -1.825 -3.335) 3.802 4.875 ( 0.000 -1.825 3.335) 3.802 5.083 ( 0.000 7.673 -5.378) 9.370 5.083 ( 0.000 7.673 5.378) 9.370 5.261 ( 0.000 -3.713 -6.286) 7.300 5.261 ( 0.000 -3.713 6.286) 7.300 5.394 ( 0.000 0.382 -5.482) 5.496 5.394 ( 0.000 0.382 5.482) 5.496 5.439 ( 0.000 7.475 -0.472) 7.490 5.439 ( 0.000 7.475 0.472) 7.490 5.610 ( 0.000 -4.411 -1.684) 4.722 5.610 ( 0.000 -4.411 1.684) 4.722 5.792 ( 0.000 2.404 -6.189) 6.639 5.792 ( 0.000 2.404 6.189) 6.639 5.870 ( 0.000 -4.557 -5.179) 6.898 5.870 ( 0.000 -4.557 5.179) 6.898 6.057 ( 0.000 0.815 -3.722) 3.810 6.057 ( 0.000 0.815 3.722) 3.810 6.144 ( 0.000 -1.754 -3.454) 3.874 6.144 ( 0.000 -1.754 3.454) 3.874 6.352 ( 0.000 0.902 -0.029) 0.902 6.352 ( 0.000 0.902 0.029) 0.902 6.442 ( 0.000 -0.629 -5.470) 5.506 6.442 ( 0.000 -0.629 5.470) 5.506 6.529 ( 0.000 1.290 -11.970) 12.039 6.529 ( 0.000 1.290 11.970) 12.039 6.611 ( 0.000 -3.428 -9.560) 10.156 6.611 ( 0.000 -3.428 9.560) 10.156 6.964 ( 0.000 -2.071 -0.387) 2.107 6.964 ( 0.000 -2.071 0.387) 2.107 7.269 ( 0.000 8.016 -3.043) 8.574 7.269 ( 0.000 8.016 3.043) 8.574 7.315 ( 0.000 0.691 -1.413) 1.572 7.315 ( 0.000 0.691 1.413) 1.572 7.439 ( 0.000 1.313 -0.139) 1.320 7.439 ( 0.000 1.313 0.139) 1.320 7.542 ( 0.000 -10.365 -0.573) 10.381 7.542 ( 0.000 -10.365 0.573) 10.381 7.805 ( 0.000 1.359 -3.862) 4.094 7.805 ( 0.000 1.359 3.862) 4.094 7.876 ( 0.000 4.428 -1.668) 4.731 7.876 ( 0.000 4.428 1.668) 4.731 8.225 ( 0.000 -1.795 -1.053) 2.081 8.225 ( 0.000 -1.795 1.053) 2.081 8.441 ( 0.000 4.838 -2.014) 5.241 8.441 ( 0.000 4.838 2.014) 5.241 8.746 ( 0.000 0.299 -0.950) 0.996 8.746 ( 0.000 0.299 0.950) 0.996 8.936 ( 0.000 -0.265 -2.925) 2.937 8.936 ( 0.000 -0.265 2.925) 2.937 9.096 ( 0.000 2.850 -4.080) 4.977 9.096 ( 0.000 2.850 4.080) 4.977 9.211 ( 0.000 -1.974 -2.745) 3.381 9.211 ( 0.000 -1.974 2.745) 3.381 9.403 ( 0.000 2.074 -1.785) 2.736 9.403 ( 0.000 2.074 1.785) 2.736 9.481 ( 0.000 -5.420 -0.290) 5.428 9.481 ( 0.000 -5.420 0.290) 5.428 9.555 ( 0.000 -1.188 -3.666) 3.854 9.555 ( 0.000 -1.188 3.666) 3.854 9.650 ( 0.000 -0.349 -0.095) 0.362 9.650 ( 0.000 -0.349 0.095) 0.362 9.756 ( 0.000 -0.133 -4.796) 4.798 9.756 ( 0.000 -0.133 4.796) 4.798 9.995 ( 0.000 -0.019 -0.438) 0.438 9.995 ( 0.000 -0.019 0.438) 0.438 10.555 ( 0.000 2.160 -3.216) 3.874 10.555 ( 0.000 2.160 3.216) 3.874 10.708 ( 0.000 -1.510 -0.474) 1.583 10.708 ( 0.000 -1.510 0.474) 1.583 10.808 ( 0.000 0.807 -4.212) 4.289 10.808 ( 0.000 0.807 4.212) 4.289 11.139 ( 0.000 -0.935 -6.154) 6.225 11.139 ( 0.000 -0.935 6.154) 6.225 12.273 ( 0.000 3.198 -4.939) 5.884 12.273 ( 0.000 3.198 4.939) 5.884 12.673 ( 0.000 -4.199 -1.712) 4.534 12.673 ( 0.000 -4.199 1.712) 4.534 12.956 ( 0.000 0.923 -1.237) 1.543 12.956 ( 0.000 0.923 1.237) 1.543 13.136 ( 0.000 -0.789 -1.368) 1.579 13.136 ( 0.000 -0.789 1.368) 1.579 13.443 ( 0.000 0.033 -1.910) 1.910 13.443 ( 0.000 0.033 1.910) 1.910 13.686 ( 0.000 -0.158 -0.743) 0.759 13.686 ( 0.000 -0.158 0.743) 0.759 13.941 ( 0.000 7.699 -5.084) 9.226 13.941 ( 0.000 7.699 5.084) 9.226 14.117 ( 0.000 -6.361 -7.213) 9.617 14.117 ( 0.000 -6.361 7.213) 9.617 15.157 ( 0.000 3.045 -9.772) 10.235 15.157 ( 0.000 3.045 9.772) 10.235 15.237 ( 0.000 -2.768 -9.906) 10.285 15.237 ( 0.000 -2.768 9.906) 10.285 15.792 ( 0.000 0.339 -0.102) 0.354 15.792 ( 0.000 0.339 0.102) 0.354 16.481 ( 0.000 0.124 -0.112) 0.167 16.481 ( 0.000 0.124 0.112) 0.167 16.691 ( 0.000 -0.465 -0.186) 0.500 16.691 ( 0.000 -0.465 0.186) 0.500 17.096 ( 0.000 -0.350 -1.561) 1.599 17.096 ( 0.000 -0.350 1.561) 1.599 17.790 ( 0.000 2.405 -1.143) 2.663 17.790 ( 0.000 2.405 1.143) 2.663 17.944 ( 0.000 -2.004 -1.840) 2.721 17.944 ( 0.000 -2.004 1.840) 2.721 24.229 ( 0.000 3.911 -2.381) 4.579 24.229 ( 0.000 3.911 2.381) 4.579 24.414 ( 0.000 -4.480 -0.990) 4.588 24.414 ( 0.000 -4.480 0.990) 4.588 25.445 ( 0.000 -0.403 -0.838) 0.930 25.445 ( 0.000 -0.403 0.838) 0.930 25.485 ( 0.000 0.755 -1.858) 2.005 25.485 ( 0.000 0.755 1.858) 2.005 25.517 ( 0.000 -0.386 -2.777) 2.804 25.517 ( 0.000 -0.386 2.777) 2.804 25.577 ( 0.000 -0.457 -0.069) 0.462 25.577 ( 0.000 -0.457 0.069) 0.462 25.715 ( 0.000 3.074 -1.126) 3.273 25.715 ( 0.000 3.074 1.126) 3.273 25.880 ( 0.000 -1.968 -0.878) 2.155 25.880 ( 0.000 -1.968 0.878) 2.155 27.352 ( 0.000 2.548 -3.045) 3.970 27.352 ( 0.000 2.548 3.045) 3.970 27.430 ( 0.000 -3.296 -1.764) 3.738 27.430 ( 0.000 -3.296 1.764) 3.738 27.722 ( 0.000 0.788 -3.555) 3.641 27.722 ( 0.000 0.788 3.555) 3.641 28.166 ( 0.000 -0.085 -2.523) 2.524 28.166 ( 0.000 -0.085 2.523) 2.524 28.855 ( 0.000 0.057 -0.544) 0.547 28.855 ( 0.000 0.057 0.544) 0.547 28.892 ( 0.000 -0.084 -0.547) 0.554 28.892 ( 0.000 -0.084 0.547) 0.554 30.910 ( 0.000 0.754 -3.113) 3.203 30.910 ( 0.000 0.754 3.113) 3.203 31.387 ( 0.000 -0.720 -1.494) 1.658 31.387 ( 0.000 -0.720 1.494) 1.658 ======================= Grid point 100 (38/40) ======================= q-point: ( 0.14 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.140 ( 14.738 -0.386 -0.258) 14.745 2.140 ( 14.738 -0.386 0.258) 14.745 2.527 ( 1.351 2.273 -11.259) 11.566 2.527 ( 1.351 2.273 11.259) 11.566 2.931 ( 0.078 -1.647 -2.252) 2.791 2.931 ( 0.078 -1.647 2.252) 2.791 3.023 ( -13.688 -0.105 -3.230) 14.065 3.023 ( -13.688 -0.105 3.230) 14.065 3.198 ( 3.848 4.380 -13.487) 14.694 3.198 ( 3.848 4.380 13.487) 14.694 3.284 ( 3.494 -2.317 -8.061) 9.086 3.284 ( 3.494 -2.317 8.061) 9.086 3.617 ( -4.360 7.855 -6.037) 10.824 3.617 ( -4.360 7.855 6.037) 10.824 3.719 ( 1.620 -1.015 -6.252) 6.538 3.719 ( 1.620 -1.015 6.252) 6.538 3.777 ( -2.430 1.001 -4.752) 5.430 3.777 ( -2.430 1.001 4.752) 5.430 3.967 ( -4.672 -6.721 -5.941) 10.114 3.967 ( -4.672 -6.721 5.941) 10.114 4.196 ( -2.462 -0.151 -3.668) 4.420 4.196 ( -2.462 -0.151 3.668) 4.420 4.261 ( -1.916 -4.821 -4.184) 6.664 4.261 ( -1.916 -4.821 4.184) 6.664 4.353 ( 10.191 3.656 -6.910) 12.844 4.353 ( 10.191 3.656 6.910) 12.844 4.481 ( -0.764 -4.208 -2.944) 5.192 4.481 ( -0.764 -4.208 2.944) 5.192 4.845 ( 3.999 0.102 -5.033) 6.429 4.845 ( 3.999 0.102 5.033) 6.429 4.934 ( 3.562 -0.797 -5.997) 7.021 4.934 ( 3.562 -0.797 5.997) 7.021 5.092 ( -3.725 3.736 -2.120) 5.686 5.092 ( -3.725 3.736 2.120) 5.686 5.239 ( 4.431 -1.924 -4.273) 6.449 5.239 ( 4.431 -1.924 4.273) 6.449 5.374 ( 3.400 2.665 -1.446) 4.555 5.374 ( 3.400 2.665 1.446) 4.555 5.533 ( 4.856 5.958 -4.332) 8.823 5.533 ( 4.856 5.958 4.332) 8.823 5.625 ( 1.712 -4.108 -4.375) 6.241 5.625 ( 1.712 -4.108 4.375) 6.241 5.747 ( -2.280 4.459 -4.844) 6.967 5.747 ( -2.280 4.459 4.844) 6.967 5.931 ( 4.504 -8.112 -3.838) 10.041 5.931 ( 4.504 -8.112 3.838) 10.041 6.103 ( 2.600 2.506 -1.848) 4.056 6.103 ( 2.600 2.506 1.848) 4.056 6.192 ( 3.666 -3.550 -3.916) 6.432 6.192 ( 3.666 -3.550 3.916) 6.432 6.310 ( -1.087 -5.999 -1.771) 6.349 6.310 ( -1.087 -5.999 1.771) 6.349 6.544 ( 7.450 6.199 -5.838) 11.314 6.544 ( 7.450 6.199 5.838) 11.314 6.600 ( 7.526 1.641 -9.510) 12.238 6.600 ( 7.526 1.641 9.510) 12.238 6.665 ( 4.666 -0.987 -8.414) 9.671 6.665 ( 4.666 -0.987 8.414) 9.671 6.947 ( -1.369 -3.013 -1.605) 3.678 6.947 ( -1.369 -3.013 1.605) 3.678 7.218 ( -1.764 5.092 -3.121) 6.228 7.218 ( -1.764 5.092 3.121) 6.228 7.387 ( 2.876 -1.299 -3.694) 4.858 7.387 ( 2.876 -1.299 3.694) 4.858 7.488 ( 2.488 1.455 -0.996) 3.049 7.488 ( 2.488 1.455 0.996) 3.049 7.579 ( 3.732 -5.843 -1.296) 7.054 7.579 ( 3.732 -5.843 1.296) 7.054 7.803 ( 0.078 0.439 -2.513) 2.553 7.803 ( 0.078 0.439 2.513) 2.553 7.910 ( 3.239 4.039 -2.530) 5.763 7.910 ( 3.239 4.039 2.530) 5.763 8.202 ( -1.497 -1.644 -0.998) 2.437 8.202 ( -1.497 -1.644 0.998) 2.437 8.452 ( 0.643 4.938 -2.306) 5.488 8.452 ( 0.643 4.938 2.306) 5.488 8.777 ( 1.486 0.949 -2.383) 2.964 8.777 ( 1.486 0.949 2.383) 2.964 8.801 ( -8.580 -0.244 -2.331) 8.895 8.801 ( -8.580 -0.244 2.331) 8.895 9.068 ( -3.221 2.533 -5.418) 6.793 9.068 ( -3.221 2.533 5.418) 6.793 9.200 ( -1.231 -2.132 -2.890) 3.797 9.200 ( -1.231 -2.132 2.890) 3.797 9.341 ( -4.493 0.249 -5.238) 6.906 9.341 ( -4.493 0.249 5.238) 6.906 9.409 ( -4.218 -5.081 -3.770) 7.604 9.409 ( -4.218 -5.081 3.770) 7.604 9.577 ( -6.707 3.282 -8.030) 10.965 9.577 ( -6.707 3.282 8.030) 10.965 9.631 ( -3.923 -1.652 -5.703) 7.117 9.631 ( -3.923 -1.652 5.703) 7.117 9.686 ( 1.298 -1.747 -2.678) 3.451 9.686 ( 1.298 -1.747 2.678) 3.451 9.993 ( -1.992 -0.537 -2.327) 3.110 9.993 ( -1.992 -0.537 2.327) 3.110 10.459 ( -8.414 3.743 -3.426) 9.826 10.459 ( -8.414 3.743 3.426) 9.826 10.597 ( -9.368 -4.141 -4.307) 11.111 10.597 ( -9.368 -4.141 4.307) 11.111 10.751 ( -4.250 2.327 -4.255) 6.448 10.751 ( -4.250 2.327 4.255) 6.448 11.144 ( -0.773 -0.970 -5.264) 5.408 11.144 ( -0.773 -0.970 5.264) 5.408 12.354 ( 7.347 2.376 -4.774) 9.078 12.354 ( 7.347 2.376 4.774) 9.078 12.673 ( 1.815 -2.638 -3.112) 4.465 12.673 ( 1.815 -2.638 3.112) 4.465 13.004 ( 4.043 1.758 -1.977) 4.831 13.004 ( 4.043 1.758 1.977) 4.831 13.191 ( 3.364 -3.162 -1.695) 4.918 13.191 ( 3.364 -3.162 1.695) 4.918 13.425 ( -1.736 0.546 -2.432) 3.037 13.425 ( -1.736 0.546 2.432) 3.037 13.655 ( -3.033 -0.452 -1.677) 3.496 13.655 ( -3.033 -0.452 1.677) 3.496 13.942 ( -0.109 9.069 -5.271) 10.490 13.942 ( -0.109 9.069 5.271) 10.490 14.120 ( 0.399 -7.642 -6.912) 10.312 14.120 ( 0.399 -7.642 6.912) 10.312 15.166 ( 0.754 3.851 -7.694) 8.637 15.166 ( 0.754 3.851 7.694) 8.637 15.320 ( 7.513 -3.697 -7.657) 11.347 15.320 ( 7.513 -3.697 7.657) 11.347 15.789 ( 0.159 0.689 -0.318) 0.775 15.789 ( 0.159 0.689 0.318) 0.775 16.554 ( 6.635 0.551 -0.215) 6.662 16.554 ( 6.635 0.551 0.215) 6.662 16.706 ( 0.622 -0.708 -1.162) 1.496 16.706 ( 0.622 -0.708 1.162) 1.496 17.085 ( -0.697 -0.601 -1.800) 2.022 17.085 ( -0.697 -0.601 1.800) 2.022 17.739 ( -4.565 2.931 -1.396) 5.602 17.739 ( -4.565 2.931 1.396) 5.602 17.895 ( -4.408 -2.405 -1.959) 5.390 17.895 ( -4.408 -2.405 1.959) 5.390 24.238 ( 0.843 4.077 -2.193) 4.705 24.238 ( 0.843 4.077 2.193) 4.705 24.412 ( -0.121 -4.597 -0.941) 4.694 24.412 ( -0.121 -4.597 0.941) 4.694 25.439 ( -0.405 -0.252 -2.389) 2.436 25.439 ( -0.405 -0.252 2.389) 2.436 25.490 ( -0.707 0.298 -1.332) 1.537 25.490 ( -0.707 0.298 1.332) 1.537 25.510 ( 1.038 -0.166 -3.909) 4.048 25.510 ( 1.038 -0.166 3.909) 4.048 25.602 ( 1.608 -0.831 -0.534) 1.887 25.602 ( 1.608 -0.831 0.534) 1.887 25.721 ( 0.616 3.584 -0.957) 3.760 25.721 ( 0.616 3.584 0.957) 3.760 25.878 ( -0.262 -2.087 -1.033) 2.343 25.878 ( -0.262 -2.087 1.033) 2.343 27.371 ( 1.788 2.332 -3.052) 4.237 27.371 ( 1.788 2.332 3.052) 4.237 27.461 ( 2.905 -3.156 -2.027) 4.744 27.461 ( 2.905 -3.156 2.027) 4.744 27.709 ( -1.166 0.927 -3.391) 3.703 27.709 ( -1.166 0.927 3.391) 3.703 28.126 ( -3.724 -0.112 -2.582) 4.533 28.126 ( -3.724 -0.112 2.582) 4.533 28.901 ( 4.255 0.164 -1.727) 4.595 28.901 ( 4.255 0.164 1.727) 4.595 28.941 ( 4.470 -0.224 -1.706) 4.790 28.941 ( 4.470 -0.224 1.706) 4.790 30.843 ( -5.992 0.916 -3.134) 6.823 30.843 ( -5.992 0.916 3.134) 6.823 31.261 ( -11.320 -0.851 -1.838) 11.500 31.261 ( -11.320 -0.851 1.838) 11.500 ======================= Grid point 102 (39/40) ======================= q-point: ( 0.29 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.452 ( 3.985 0.811 -5.153) 6.564 2.452 ( 3.985 0.811 5.153) 6.564 2.578 ( 9.754 4.133 -3.768) 11.243 2.578 ( 9.754 4.133 3.768) 11.243 2.686 ( -13.769 -3.697 -6.762) 15.779 2.686 ( -13.769 -3.697 6.762) 15.779 2.972 ( 2.312 5.313 -5.595) 8.054 2.972 ( 2.312 5.313 5.595) 8.054 3.197 ( -3.712 -2.416 -7.602) 8.798 3.197 ( -3.712 -2.416 7.602) 8.798 3.341 ( 4.292 -3.333 -2.735) 6.083 3.341 ( 4.292 -3.333 2.735) 6.083 3.586 ( 2.771 0.544 -3.257) 4.311 3.586 ( 2.771 0.544 3.257) 4.311 3.708 ( -2.819 -1.002 -4.155) 5.121 3.708 ( -2.819 -1.002 4.155) 5.121 3.806 ( 2.461 6.484 -4.592) 8.318 3.806 ( 2.461 6.484 4.592) 8.318 3.914 ( -1.998 -0.249 -6.765) 7.059 3.914 ( -1.998 -0.249 6.765) 7.059 4.112 ( -3.765 -1.716 -1.669) 4.461 4.112 ( -3.765 -1.716 1.669) 4.461 4.199 ( -4.051 -1.375 -0.718) 4.338 4.199 ( -4.051 -1.375 0.718) 4.338 4.423 ( -0.498 -3.929 -2.321) 4.591 4.423 ( -0.498 -3.929 2.321) 4.591 4.525 ( 0.581 -1.849 -5.179) 5.530 4.525 ( 0.581 -1.849 5.179) 5.530 4.874 ( -3.308 5.215 -3.929) 7.320 4.874 ( -3.308 5.215 3.929) 7.320 4.984 ( -3.175 -2.937 -5.007) 6.616 4.984 ( -3.175 -2.937 5.007) 6.616 5.042 ( 7.532 0.558 -1.177) 7.644 5.042 ( 7.533 0.558 1.177) 7.644 5.385 ( 6.778 -0.908 -0.610) 6.866 5.385 ( 6.778 -0.908 0.610) 6.866 5.561 ( 9.330 3.281 -0.376) 9.897 5.561 ( 9.330 3.281 0.376) 9.897 5.639 ( 0.151 -0.671 -3.118) 3.193 5.639 ( 0.151 -0.671 3.118) 3.193 5.661 ( 8.520 2.422 -2.324) 9.157 5.661 ( 8.520 2.422 2.324) 9.157 5.766 ( 4.553 0.358 -4.442) 6.371 5.766 ( 4.553 0.358 4.442) 6.371 6.019 ( 4.198 -4.803 -1.047) 6.464 6.019 ( 4.198 -4.803 1.047) 6.464 6.171 ( 5.646 3.630 -1.851) 6.963 6.171 ( 5.646 3.630 1.851) 6.963 6.287 ( 3.338 -2.649 -0.530) 4.294 6.287 ( 3.338 -2.649 0.530) 4.294 6.363 ( 6.994 -8.868 -2.866) 11.652 6.363 ( 6.994 -8.868 2.866) 11.652 6.697 ( 6.390 6.166 -5.366) 10.375 6.697 ( 6.390 6.166 5.366) 10.375 6.725 ( 5.020 4.105 -4.209) 7.731 6.725 ( 5.020 4.105 4.209) 7.731 6.870 ( 10.884 0.771 -2.520) 11.199 6.870 ( 10.884 0.771 2.520) 11.199 6.939 ( 3.295 -4.955 -5.065) 7.814 6.939 ( 3.295 -4.955 5.065) 7.814 7.180 ( -3.158 0.116 -2.442) 3.994 7.180 ( -3.158 0.116 2.442) 3.994 7.426 ( -1.855 0.677 -3.155) 3.722 7.426 ( -1.855 0.677 3.155) 3.722 7.486 ( 0.912 -0.125 -0.971) 1.338 7.486 ( 0.912 -0.125 0.971) 1.338 7.634 ( 0.563 2.723 -4.855) 5.595 7.634 ( 0.563 2.723 4.855) 5.595 7.816 ( 0.613 -4.453 -4.506) 6.365 7.816 ( 0.613 -4.453 4.506) 6.365 7.990 ( 3.116 1.786 -1.383) 3.848 7.990 ( 3.116 1.786 1.383) 3.848 8.202 ( 1.775 0.269 -1.882) 2.601 8.202 ( 1.775 0.269 1.882) 2.601 8.409 ( -5.884 0.579 -1.069) 6.009 8.409 ( -5.884 0.579 1.069) 6.009 8.647 ( -4.037 8.029 -2.424) 9.308 8.647 ( -4.037 8.029 2.424) 9.308 8.827 ( 1.128 -1.771 -2.026) 2.918 8.827 ( 1.128 -1.771 2.026) 2.918 9.006 ( -1.548 -1.198 -4.873) 5.252 9.006 ( -1.548 -1.198 4.873) 5.252 9.150 ( -7.274 -1.822 -2.408) 7.876 9.150 ( -7.274 -1.822 2.408) 7.876 9.167 ( -4.521 -1.864 -5.995) 7.736 9.167 ( -4.521 -1.864 5.995) 7.736 9.384 ( -2.416 -0.583 -3.506) 4.298 9.384 ( -2.416 -0.583 3.506) 4.298 9.408 ( -5.347 1.782 -2.711) 6.254 9.408 ( -5.347 1.782 2.711) 6.254 9.551 ( -7.469 -0.989 -2.367) 7.897 9.551 ( -7.469 -0.989 2.367) 7.897 9.613 ( -4.516 -0.774 -0.319) 4.593 9.613 ( -4.516 -0.774 0.319) 4.593 9.908 ( -5.468 -1.221 -2.080) 5.976 9.908 ( -5.468 -1.221 2.080) 5.976 10.260 ( -9.578 6.439 -3.928) 12.191 10.260 ( -9.578 6.439 3.928) 12.191 10.402 ( -7.700 -7.995 -6.091) 12.661 10.402 ( -7.700 -7.995 6.091) 12.661 10.675 ( -1.808 4.175 -4.063) 6.100 10.675 ( -1.808 4.175 4.063) 6.100 11.074 ( -5.853 -1.505 -4.305) 7.420 11.074 ( -5.853 -1.505 4.305) 7.420 12.553 ( 10.869 1.464 -4.195) 11.742 12.553 ( 10.869 1.464 4.195) 11.742 12.781 ( 7.831 -1.823 -3.976) 8.970 12.781 ( 7.831 -1.823 3.976) 8.970 13.093 ( 3.589 3.831 -2.836) 5.966 13.093 ( 3.589 3.831 2.836) 5.966 13.230 ( 0.366 -5.774 -1.740) 6.042 13.230 ( 0.366 -5.774 1.740) 6.042 13.374 ( -2.833 1.154 -3.280) 4.485 13.374 ( -2.833 1.154 3.280) 4.485 13.558 ( -6.225 -0.938 -2.948) 6.952 13.558 ( -6.225 -0.938 2.948) 6.952 13.933 ( -0.599 10.281 -4.248) 11.140 13.933 ( -0.599 10.281 4.248) 11.140 14.130 ( 0.411 -9.079 -4.635) 10.202 14.130 ( 0.411 -9.079 4.635) 10.202 15.192 ( 1.761 6.540 -5.257) 8.574 15.192 ( 1.761 6.540 5.257) 8.574 15.485 ( 5.465 -8.984 -4.652) 11.499 15.485 ( 5.465 -8.984 4.652) 11.499 15.848 ( 7.563 3.937 -1.099) 8.597 15.848 ( 7.563 3.937 1.099) 8.597 16.661 ( -5.502 -0.851 -0.974) 5.652 16.661 ( -5.502 -0.851 0.974) 5.652 16.734 ( 9.374 1.251 -0.387) 9.465 16.734 ( 9.374 1.251 0.387) 9.465 17.086 ( 0.871 -1.852 -1.721) 2.674 17.086 ( 0.871 -1.852 1.721) 2.674 17.619 ( -6.230 4.922 -1.711) 8.122 17.619 ( -6.230 4.922 1.711) 8.122 17.781 ( -5.889 -3.851 -1.908) 7.290 17.781 ( -5.889 -3.851 1.908) 7.290 24.260 ( 1.153 4.609 -1.631) 5.023 24.260 ( 1.153 4.609 1.631) 5.023 24.408 ( -0.283 -5.025 -0.769) 5.092 24.408 ( -0.283 -5.025 0.769) 5.092 25.434 ( -0.013 0.005 -3.008) 3.008 25.434 ( -0.013 0.005 3.008) 3.008 25.471 ( -0.762 -1.494 -3.453) 3.839 25.471 ( -0.762 -1.494 3.453) 3.839 25.550 ( 2.331 1.151 -1.282) 2.898 25.550 ( 2.331 1.151 1.282) 2.898 25.628 ( 0.711 -0.558 -0.779) 1.193 25.628 ( 0.711 -0.558 0.779) 1.193 25.740 ( 1.088 3.787 -0.593) 3.984 25.740 ( 1.088 3.787 0.593) 3.984 25.866 ( -0.932 -2.483 -1.228) 2.922 25.866 ( -0.932 -2.483 1.228) 2.922 27.423 ( 3.104 1.745 -3.027) 4.674 27.423 ( 3.104 1.745 3.027) 4.674 27.543 ( 4.250 -2.891 -2.248) 5.610 27.543 ( 4.250 -2.891 2.248) 5.610 27.679 ( -1.198 1.393 -2.452) 3.064 27.679 ( -1.198 1.393 2.452) 3.064 28.018 ( -6.366 -0.199 -2.688) 6.913 28.018 ( -6.366 -0.199 2.688) 6.913 29.015 ( 5.944 0.612 -2.776) 6.588 29.015 ( 5.944 0.612 2.776) 6.588 29.057 ( 5.977 -0.775 -2.715) 6.611 29.057 ( 5.977 -0.775 2.715) 6.611 30.691 ( -7.525 1.626 -2.927) 8.237 30.691 ( -7.525 1.626 2.927) 8.237 30.970 ( -14.850 -1.462 -2.252) 15.091 30.970 ( -14.850 -1.462 2.252) 15.091 ======================= Grid point 104 (40/40) ======================= q-point: ( 0.43 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 5.83e-04 5.83e-04 5.83e-04 5.83e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.324 ( -6.762 7.045 -5.841) 11.378 2.324 ( -6.762 7.045 5.841) 11.378 2.472 ( -4.626 -7.883 -6.528) 11.231 2.472 ( -4.626 -7.883 6.528) 11.231 2.898 ( 10.906 0.957 -0.854) 10.981 2.898 ( 10.906 0.957 0.854) 10.981 3.011 ( -0.301 6.757 -5.811) 8.917 3.011 ( -0.301 6.757 5.811) 8.917 3.203 ( 5.428 -0.180 -5.473) 7.710 3.203 ( 5.428 -0.180 5.473) 7.710 3.410 ( -0.437 -6.396 -2.320) 6.817 3.410 ( -0.437 -6.396 2.320) 6.817 3.611 ( -0.766 0.203 -2.996) 3.099 3.611 ( -0.766 0.203 2.996) 3.099 3.639 ( -2.891 -2.048 -2.928) 4.596 3.639 ( -2.891 -2.048 2.928) 4.596 3.832 ( 0.295 8.484 -3.399) 9.144 3.832 ( 0.295 8.484 3.399) 9.144 3.865 ( -0.692 5.051 -1.198) 5.237 3.865 ( -0.692 5.051 1.198) 5.237 4.065 ( -2.218 -2.499 -1.050) 3.503 4.065 ( -2.218 -2.499 1.050) 3.503 4.136 ( -0.680 -6.903 -1.926) 7.199 4.136 ( -0.680 -6.903 1.926) 7.199 4.438 ( 1.425 -2.981 -2.648) 4.234 4.438 ( 1.425 -2.981 2.648) 4.234 4.489 ( -1.803 -2.342 -4.406) 5.305 4.489 ( -1.803 -2.342 4.406) 5.305 4.802 ( -1.846 4.250 -1.681) 4.929 4.802 ( -1.846 4.250 1.681) 4.929 4.869 ( -5.001 1.036 -1.512) 5.326 4.869 ( -5.001 1.036 1.512) 5.326 5.247 ( 8.259 -0.475 -2.439) 8.625 5.247 ( 8.259 -0.475 2.439) 8.625 5.408 ( -3.495 -4.692 -3.489) 6.811 5.408 ( -3.495 -4.692 3.489) 6.811 5.614 ( 0.124 3.910 -2.029) 4.407 5.614 ( 0.124 3.910 2.029) 4.407 5.697 ( 1.908 -2.484 -0.369) 3.154 5.697 ( 1.908 -2.484 0.369) 3.154 5.838 ( 6.423 3.079 -0.539) 7.143 5.838 ( 6.423 3.079 0.539) 7.143 5.906 ( 3.525 0.410 -1.568) 3.880 5.906 ( 3.525 0.410 1.568) 3.880 6.130 ( 7.471 -1.858 -0.692) 7.730 6.130 ( 7.471 -1.858 0.692) 7.730 6.278 ( -1.113 -2.769 -1.432) 3.310 6.278 ( -1.113 -2.769 1.432) 3.310 6.351 ( 4.995 7.273 -1.005) 8.880 6.351 ( 4.995 7.273 1.005) 8.880 6.537 ( 6.720 -9.251 -2.875) 11.790 6.537 ( 6.720 -9.251 2.875) 11.790 6.768 ( 3.017 4.454 -0.866) 5.449 6.768 ( 3.017 4.454 0.866) 5.449 6.883 ( 1.939 -2.679 -0.895) 3.426 6.883 ( 1.939 -2.679 0.895) 3.426 6.944 ( 6.998 -0.614 -1.747) 7.239 6.944 ( 6.998 -0.614 1.747) 7.239 7.083 ( -0.649 2.248 -0.830) 2.482 7.083 ( -0.649 2.248 0.830) 2.482 7.145 ( 0.240 0.119 -1.077) 1.110 7.145 ( 0.240 0.119 1.077) 1.110 7.325 ( -1.726 0.562 -1.765) 2.532 7.325 ( -1.726 0.562 1.765) 2.532 7.490 ( -0.735 1.332 -2.892) 3.268 7.490 ( -0.735 1.332 2.892) 3.268 7.645 ( -2.498 -0.483 -4.607) 5.263 7.645 ( -2.498 -0.483 4.607) 5.263 7.873 ( 7.450 -2.758 -4.830) 9.297 7.873 ( 7.450 -2.758 4.830) 9.297 8.002 ( -1.951 0.895 -1.267) 2.492 8.002 ( -1.951 0.895 1.267) 2.492 8.206 ( -2.638 1.912 -5.774) 6.630 8.206 ( -2.638 1.912 5.774) 6.630 8.255 ( -6.736 -2.799 -3.325) 8.016 8.255 ( -6.736 -2.799 3.325) 8.016 8.592 ( -1.152 13.194 -1.362) 13.314 8.592 ( -1.152 13.194 1.362) 13.314 8.818 ( -0.495 -8.636 -0.492) 8.664 8.818 ( -0.495 -8.636 0.492) 8.664 9.004 ( 0.429 -0.575 -2.210) 2.324 9.004 ( 0.429 -0.575 2.210) 2.324 9.034 ( -2.649 -0.321 -1.480) 3.051 9.034 ( -2.649 -0.321 1.480) 3.051 9.133 ( 0.779 0.001 -0.876) 1.172 9.133 ( 0.779 0.001 0.876) 1.172 9.246 ( -9.935 -0.536 -1.414) 10.049 9.246 ( -9.935 -0.536 1.414) 10.049 9.314 ( -1.372 5.067 -2.379) 5.763 9.314 ( -1.372 5.067 2.379) 5.763 9.431 ( -1.225 -5.945 -1.152) 6.178 9.431 ( -1.225 -5.945 1.152) 6.178 9.641 ( 4.798 1.052 -1.376) 5.101 9.641 ( 4.798 1.052 1.376) 5.101 9.782 ( -6.394 -0.978 -1.723) 6.694 9.782 ( -6.394 -0.978 1.723) 6.694 10.102 ( -4.278 7.566 -1.905) 8.898 10.102 ( -4.278 7.566 1.905) 8.898 10.278 ( -3.858 -9.725 -2.799) 10.830 10.278 ( -3.858 -9.725 2.799) 10.830 10.706 ( 3.941 6.668 -3.101) 8.344 10.706 ( 3.941 6.668 3.101) 8.344 10.927 ( -6.810 -3.851 -3.167) 8.441 10.927 ( -6.810 -3.851 3.167) 8.441 12.770 ( 8.612 2.151 -2.924) 9.346 12.770 ( 8.612 2.151 2.924) 9.346 12.919 ( 2.260 -3.992 -2.806) 5.377 12.919 ( 2.260 -3.992 2.806) 5.377 13.131 ( 1.235 5.451 -1.837) 5.883 13.131 ( 1.235 5.451 1.837) 5.883 13.241 ( 1.272 -5.017 -1.411) 5.364 13.241 ( 1.272 -5.017 1.411) 5.364 13.323 ( -2.041 1.909 -3.539) 4.509 13.323 ( -2.041 1.909 3.539) 4.509 13.416 ( -5.771 -2.600 -3.244) 7.112 13.416 ( -5.771 -2.600 3.244) 7.113 13.925 ( -0.130 10.635 -1.674) 10.766 13.925 ( -0.130 10.635 1.674) 10.766 14.133 ( -0.036 -9.845 -1.567) 9.969 14.133 ( -0.036 -9.845 1.567) 9.969 15.231 ( 1.452 11.015 -2.205) 11.327 15.231 ( 1.452 11.015 2.205) 11.327 15.516 ( -0.604 -14.448 -1.623) 14.551 15.516 ( -0.604 -14.448 1.623) 14.551 16.101 ( 13.510 7.690 -1.543) 15.622 16.101 ( 13.510 7.690 1.543) 15.622 16.471 ( -11.059 -3.484 -1.310) 11.668 16.471 ( -11.059 -3.484 1.310) 11.668 16.920 ( 6.951 3.371 -0.339) 7.733 16.920 ( 6.951 3.371 0.339) 7.733 17.091 ( -1.181 -4.958 -0.774) 5.155 17.091 ( -1.181 -4.958 0.774) 5.155 17.514 ( -2.916 8.570 -1.014) 9.109 17.514 ( -2.916 8.570 1.014) 9.109 17.679 ( -3.017 -6.302 -0.942) 7.051 17.679 ( -3.017 -6.302 0.942) 7.051 24.280 ( 0.578 5.365 -0.643) 5.434 24.280 ( 0.578 5.365 0.643) 5.434 24.402 ( -0.200 -5.703 -0.337) 5.716 24.402 ( -0.200 -5.703 0.337) 5.716 25.437 ( 0.185 0.032 -1.462) 1.474 25.437 ( 0.185 0.032 1.462) 1.474 25.459 ( -0.322 -2.193 -1.924) 2.936 25.459 ( -0.322 -2.193 1.924) 2.936 25.598 ( 2.030 1.608 -0.998) 2.775 25.598 ( 2.030 1.608 0.998) 2.775 25.628 ( -0.743 0.856 -0.625) 1.294 25.628 ( -0.743 0.856 0.625) 1.294 25.763 ( 0.899 3.115 -0.244) 3.251 25.763 ( 0.899 3.115 0.244) 3.251 25.843 ( -0.948 -3.105 -0.771) 3.337 25.843 ( -0.948 -3.105 0.771) 3.337 27.494 ( 3.431 1.229 -2.922) 4.671 27.494 ( 3.431 1.229 2.922) 4.671 27.568 ( -2.107 -0.983 -2.880) 3.702 27.568 ( -2.107 -0.983 2.880) 3.702 27.726 ( 5.948 0.126 -2.055) 6.294 27.726 ( 5.948 0.126 2.055) 6.294 27.872 ( -7.353 -0.297 -2.691) 7.835 27.872 ( -7.353 -0.297 2.691) 7.835 29.118 ( 3.071 1.512 -1.795) 3.866 29.118 ( 3.071 1.512 1.795) 3.866 29.159 ( 2.913 -1.831 -1.772) 3.870 29.159 ( 2.913 -1.831 1.772) 3.870 30.575 ( -2.650 3.980 -1.782) 5.103 30.575 ( -2.650 3.980 1.782) 5.103 30.713 ( -7.907 -3.662 -1.605) 8.860 30.713 ( -7.907 -3.662 1.605) 8.860 =================== 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 3/28224 10.0 1116.902 1818.007 1475.892 0.000 0.000 0.000 3/28224 20.0 192.786 216.472 261.184 0.000 0.000 0.000 3/28224 30.0 71.894 69.596 92.097 0.000 0.000 0.000 3/28224 40.0 38.940 34.631 47.506 0.000 0.000 0.000 3/28224 50.0 25.106 21.258 29.617 0.000 0.000 0.000 3/28224 60.0 17.930 14.749 20.689 0.000 0.000 0.000 3/28224 70.0 13.716 11.086 15.596 0.000 0.000 0.000 3/28224 80.0 11.021 8.808 12.405 0.000 0.000 0.000 3/28224 90.0 9.185 7.285 10.260 0.000 0.000 0.000 3/28224 100.0 7.869 6.208 8.739 0.000 0.000 0.000 3/28224 110.0 6.888 5.413 7.612 0.000 0.000 0.000 3/28224 120.0 6.131 4.804 6.748 0.000 0.000 0.000 3/28224 130.0 5.532 4.324 6.067 0.000 0.000 0.000 3/28224 140.0 5.046 3.937 5.517 0.000 0.000 0.000 3/28224 150.0 4.643 3.618 5.065 0.000 0.000 0.000 3/28224 160.0 4.305 3.351 4.686 0.000 0.000 0.000 3/28224 170.0 4.017 3.123 4.364 0.000 0.000 0.000 3/28224 180.0 3.767 2.927 4.087 0.000 0.000 0.000 3/28224 190.0 3.550 2.757 3.846 0.000 0.000 0.000 3/28224 200.0 3.358 2.607 3.634 0.000 0.000 0.000 3/28224 210.0 3.187 2.474 3.447 0.000 0.000 0.000 3/28224 220.0 3.035 2.355 3.280 0.000 0.000 0.000 3/28224 230.0 2.897 2.248 3.130 0.000 0.000 0.000 3/28224 240.0 2.773 2.151 2.994 0.000 0.000 0.000 3/28224 250.0 2.659 2.063 2.870 0.000 0.000 0.000 3/28224 260.0 2.555 1.982 2.758 0.000 0.000 0.000 3/28224 270.0 2.460 1.908 2.655 0.000 0.000 0.000 3/28224 280.0 2.372 1.840 2.559 0.000 0.000 0.000 3/28224 290.0 2.290 1.777 2.471 0.000 0.000 0.000 3/28224 300.0 2.215 1.718 2.390 0.000 0.000 0.000 3/28224 310.0 2.144 1.663 2.314 0.000 0.000 0.000 3/28224 320.0 2.078 1.612 2.243 0.000 0.000 0.000 3/28224 330.0 2.016 1.565 2.177 0.000 0.000 0.000 3/28224 340.0 1.958 1.520 2.114 0.000 0.000 0.000 3/28224 350.0 1.903 1.478 2.056 0.000 0.000 0.000 3/28224 360.0 1.852 1.438 2.001 0.000 0.000 0.000 3/28224 370.0 1.803 1.400 1.948 0.000 0.000 0.000 3/28224 380.0 1.757 1.365 1.899 0.000 0.000 0.000 3/28224 390.0 1.714 1.331 1.852 0.000 0.000 0.000 3/28224 400.0 1.672 1.299 1.808 0.000 0.000 0.000 3/28224 410.0 1.633 1.268 1.766 0.000 0.000 0.000 3/28224 420.0 1.595 1.239 1.726 0.000 0.000 0.000 3/28224 430.0 1.559 1.211 1.687 0.000 0.000 0.000 3/28224 440.0 1.525 1.185 1.651 0.000 0.000 0.000 3/28224 450.0 1.492 1.160 1.616 0.000 0.000 0.000 3/28224 460.0 1.461 1.135 1.582 0.000 0.000 0.000 3/28224 470.0 1.431 1.112 1.550 0.000 0.000 0.000 3/28224 480.0 1.402 1.090 1.519 0.000 0.000 0.000 3/28224 490.0 1.375 1.069 1.490 0.000 0.000 0.000 3/28224 500.0 1.348 1.048 1.461 0.000 0.000 0.000 3/28224 510.0 1.323 1.028 1.434 0.000 0.000 0.000 3/28224 520.0 1.298 1.009 1.408 0.000 0.000 0.000 3/28224 530.0 1.275 0.991 1.382 0.000 0.000 0.000 3/28224 540.0 1.252 0.973 1.358 0.000 0.000 0.000 3/28224 550.0 1.230 0.956 1.334 0.000 0.000 0.000 3/28224 560.0 1.209 0.940 1.312 0.000 0.000 0.000 3/28224 570.0 1.188 0.924 1.290 0.000 0.000 0.000 3/28224 580.0 1.169 0.909 1.268 0.000 0.000 0.000 3/28224 590.0 1.149 0.894 1.248 0.000 0.000 0.000 3/28224 600.0 1.131 0.880 1.228 0.000 0.000 0.000 3/28224 610.0 1.113 0.866 1.209 0.000 0.000 0.000 3/28224 620.0 1.096 0.852 1.190 0.000 0.000 0.000 3/28224 630.0 1.079 0.839 1.172 0.000 0.000 0.000 3/28224 640.0 1.063 0.827 1.155 0.000 0.000 0.000 3/28224 650.0 1.047 0.814 1.138 0.000 0.000 0.000 3/28224 660.0 1.031 0.802 1.121 0.000 0.000 0.000 3/28224 670.0 1.016 0.791 1.105 0.000 0.000 0.000 3/28224 680.0 1.002 0.780 1.089 0.000 0.000 0.000 3/28224 690.0 0.988 0.769 1.074 0.000 0.000 0.000 3/28224 700.0 0.974 0.758 1.059 0.000 0.000 0.000 3/28224 710.0 0.961 0.748 1.045 0.000 0.000 0.000 3/28224 720.0 0.948 0.738 1.031 0.000 0.000 0.000 3/28224 730.0 0.935 0.728 1.018 0.000 0.000 0.000 3/28224 740.0 0.923 0.718 1.004 0.000 0.000 0.000 3/28224 750.0 0.911 0.709 0.991 0.000 0.000 0.000 3/28224 760.0 0.899 0.700 0.979 0.000 0.000 0.000 3/28224 770.0 0.888 0.691 0.967 0.000 0.000 0.000 3/28224 780.0 0.877 0.683 0.955 0.000 0.000 0.000 3/28224 790.0 0.866 0.674 0.943 0.000 0.000 0.000 3/28224 800.0 0.856 0.666 0.932 0.000 0.000 0.000 3/28224 810.0 0.845 0.658 0.920 0.000 0.000 0.000 3/28224 820.0 0.835 0.650 0.910 0.000 0.000 0.000 3/28224 830.0 0.826 0.643 0.899 0.000 0.000 0.000 3/28224 840.0 0.816 0.635 0.889 0.000 0.000 0.000 3/28224 850.0 0.807 0.628 0.878 0.000 0.000 0.000 3/28224 860.0 0.797 0.621 0.869 0.000 0.000 0.000 3/28224 870.0 0.789 0.614 0.859 0.000 0.000 0.000 3/28224 880.0 0.780 0.607 0.849 0.000 0.000 0.000 3/28224 890.0 0.771 0.600 0.840 0.000 0.000 0.000 3/28224 900.0 0.763 0.594 0.831 0.000 0.000 0.000 3/28224 910.0 0.755 0.587 0.822 0.000 0.000 0.000 3/28224 920.0 0.747 0.581 0.814 0.000 0.000 0.000 3/28224 930.0 0.739 0.575 0.805 0.000 0.000 0.000 3/28224 940.0 0.731 0.569 0.797 0.000 0.000 0.000 3/28224 950.0 0.724 0.563 0.789 0.000 0.000 0.000 3/28224 960.0 0.716 0.558 0.781 0.000 0.000 0.000 3/28224 970.0 0.709 0.552 0.773 0.000 0.000 0.000 3/28224 980.0 0.702 0.546 0.765 0.000 0.000 0.000 3/28224 990.0 0.695 0.541 0.758 0.000 0.000 0.000 3/28224 1000.0 0.688 0.536 0.750 0.000 0.000 0.000 3/28224 Thermal conductivity related properties were written into "kappa-m738.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:54:42]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|