----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 11:42:19]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.081983355001327 -3.501552890000000 0.000000000000000 b 8.081983355001327 3.501552890000000 0.000000000000000 c -5.582540806070120 0.000000000000000 7.696508141576362 Atomic positions (fractional): *1 Li 0.70828327653963 0.29171672346037 0.75000000000000 6.941 2 Li 0.29171672346037 0.70828327653963 0.25000000000000 6.941 *3 Er 0.20565596449831 0.79434403550169 0.75000000000000 167.259 4 Er 0.79434403550169 0.20565596449831 0.25000000000000 167.259 *5 P 0.29008815642514 0.99922116660364 0.19246071898539 30.974 *6 P 0.31444616996221 0.41309221839087 0.88424389945383 30.974 7 P 0.00077883339636 0.70991184357486 0.30753928101460 30.974 8 P 0.68555383003779 0.58690778160913 0.11575610054617 30.974 9 P 0.70991184357486 0.00077883339636 0.80753928101460 30.974 10 P 0.41309221839087 0.31444616996221 0.38424389945383 30.974 11 P 0.58690778160913 0.68555383003779 0.61575610054617 30.974 12 P 0.99922116660364 0.29008815642514 0.69246071898540 30.974 *13 O 0.00836913177010 0.85511177593381 0.27814680196739 15.999 *14 O 0.43562818869597 0.43641573465836 0.07444694063308 15.999 *15 O 0.32807588899116 0.18125196750803 0.34987450565063 15.999 16 O 0.56437181130403 0.56358426534164 0.92555305936692 15.999 *17 O 0.39633283665580 0.82723469131451 0.68425210660689 15.999 *18 O 0.01032039947572 0.24288182825916 0.52092364587472 15.999 19 O 0.56358426534164 0.56437181130403 0.42555305936692 15.999 20 O 0.81874803249197 0.67192411100884 0.15012549434937 15.999 21 O 0.24288182825916 0.01032039947572 0.02092364587472 15.999 *22 O 0.78375451885474 0.52523361570582 0.73519677624676 15.999 23 O 0.21624548114526 0.47476638429419 0.26480322375324 15.999 24 O 0.85511177593381 0.00836913177010 0.77814680196739 15.999 25 O 0.18125196750802 0.32807588899116 0.84987450565062 15.999 26 O 0.47476638429418 0.21624548114526 0.76480322375324 15.999 27 O 0.98967960052428 0.75711817174084 0.47907635412528 15.999 28 O 0.43641573465836 0.43562818869597 0.57444694063308 15.999 29 O 0.52523361570581 0.78375451885474 0.23519677624676 15.999 30 O 0.67192411100884 0.81874803249197 0.65012549434938 15.999 31 O 0.60366716334420 0.17276530868549 0.31574789339311 15.999 32 O 0.99163086822990 0.14488822406619 0.72185319803261 15.999 33 O 0.75711817174084 0.98967960052428 0.97907635412528 15.999 34 O 0.14488822406619 0.99163086822990 0.22185319803261 15.999 35 O 0.82723469131451 0.39633283665580 0.18425210660689 15.999 36 O 0.17276530868549 0.60366716334420 0.81574789339311 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.163966710002654 0.000000000000000 0.000000000000000 b 0.000000000000000 7.003105780000000 0.000000000000000 c -5.582540806070120 0.000000000000000 7.696508141576362 Atomic positions (fractional): *1 Li 0.00000000000000 0.29171672346037 0.75000000000000 6.941 > 1 2 Li 0.00000000000000 0.70828327653963 0.25000000000000 6.941 > 2 3 Li 0.50000000000000 0.79171672346037 0.75000000000000 6.941 > 1 4 Li 0.50000000000000 0.20828327653963 0.25000000000000 6.941 > 2 *5 Er 0.00000000000000 0.79434403550169 0.75000000000000 167.259 > 3 6 Er 0.00000000000000 0.20565596449831 0.25000000000000 167.259 > 4 7 Er 0.50000000000000 0.29434403550169 0.75000000000000 167.259 > 3 8 Er 0.50000000000000 0.70565596449831 0.25000000000000 167.259 > 4 *9 P 0.64465466151439 0.35456650508925 0.19246071898539 30.974 > 5 *10 P 0.36376919417654 0.04932302421433 0.88424389945383 30.974 > 6 11 P 0.85534533848561 0.85456650508925 0.30753928101460 30.974 > 7 12 P 0.63623080582346 0.95067697578567 0.11575610054617 30.974 > 8 13 P 0.35534533848561 0.64543349491075 0.80753928101460 30.974 > 9 14 P 0.86376919417654 0.45067697578567 0.38424389945383 30.974 > 10 15 P 0.13623080582346 0.54932302421433 0.61575610054617 30.974 > 11 16 P 0.14465466151439 0.14543349491075 0.69246071898540 30.974 > 12 17 P 0.14465466151439 0.85456650508925 0.19246071898539 30.974 > 5 18 P 0.86376919417654 0.54932302421433 0.88424389945383 30.974 > 6 19 P 0.35534533848561 0.35456650508925 0.30753928101460 30.974 > 7 20 P 0.13623080582346 0.45067697578567 0.11575610054617 30.974 > 8 21 P 0.85534533848561 0.14543349491075 0.80753928101460 30.974 > 9 22 P 0.36376919417654 0.95067697578567 0.38424389945383 30.974 > 10 23 P 0.63623080582346 0.04932302421433 0.61575610054617 30.974 > 11 24 P 0.64465466151439 0.64543349491075 0.69246071898540 30.974 > 12 *25 O 0.93174045385195 0.92337132208186 0.27814680196739 15.999 > 13 *26 O 0.93602196167716 0.50039377298119 0.07444694063308 15.999 > 14 *27 O 0.75466392824959 0.42658803925843 0.34987450565063 15.999 > 15 28 O 0.06397803832284 0.49960622701881 0.92555305936692 15.999 > 16 *29 O 0.11178376398515 0.71545092732935 0.68425210660689 15.999 > 17 *30 O 0.12660111386744 0.11628071439172 0.52092364587472 15.999 > 18 31 O 0.06397803832284 0.50039377298119 0.42555305936692 15.999 > 19 32 O 0.74533607175041 0.92658803925843 0.15012549434937 15.999 > 20 33 O 0.62660111386744 0.38371928560828 0.02092364587472 15.999 > 21 *34 O 0.15449406728028 0.37073954842554 0.73519677624676 15.999 > 22 35 O 0.84550593271972 0.62926045157446 0.26480322375324 15.999 > 23 36 O 0.93174045385195 0.07662867791814 0.77814680196739 15.999 > 24 37 O 0.25466392824959 0.07341196074157 0.84987450565062 15.999 > 25 38 O 0.34550593271972 0.87073954842554 0.76480322375324 15.999 > 26 39 O 0.87339888613256 0.88371928560828 0.47907635412528 15.999 > 27 40 O 0.93602196167716 0.49960622701881 0.57444694063308 15.999 > 28 41 O 0.65449406728028 0.12926045157446 0.23519677624676 15.999 > 29 42 O 0.24533607175041 0.57341196074157 0.65012549434938 15.999 > 30 43 O 0.88821623601485 0.28454907267065 0.31574789339311 15.999 > 31 44 O 0.06825954614805 0.07662867791814 0.72185319803261 15.999 > 32 45 O 0.37339888613256 0.61628071439172 0.97907635412528 15.999 > 33 46 O 0.06825954614805 0.92337132208186 0.22185319803261 15.999 > 34 47 O 0.61178376398515 0.78454907267065 0.18425210660689 15.999 > 35 48 O 0.38821623601485 0.21545092732935 0.81574789339311 15.999 > 36 49 O 0.43174045385195 0.42337132208186 0.27814680196739 15.999 > 13 50 O 0.43602196167716 0.00039377298119 0.07444694063308 15.999 > 14 51 O 0.25466392824959 0.92658803925843 0.34987450565063 15.999 > 15 52 O 0.56397803832284 0.99960622701881 0.92555305936692 15.999 > 16 53 O 0.61178376398515 0.21545092732935 0.68425210660689 15.999 > 17 54 O 0.62660111386744 0.61628071439172 0.52092364587472 15.999 > 18 55 O 0.56397803832284 0.00039377298119 0.42555305936692 15.999 > 19 56 O 0.24533607175041 0.42658803925843 0.15012549434937 15.999 > 20 57 O 0.12660111386744 0.88371928560828 0.02092364587472 15.999 > 21 58 O 0.65449406728028 0.87073954842554 0.73519677624676 15.999 > 22 59 O 0.34550593271972 0.12926045157446 0.26480322375324 15.999 > 23 60 O 0.43174045385195 0.57662867791814 0.77814680196739 15.999 > 24 61 O 0.75466392824959 0.57341196074157 0.84987450565062 15.999 > 25 62 O 0.84550593271972 0.37073954842554 0.76480322375324 15.999 > 26 63 O 0.37339888613256 0.38371928560828 0.47907635412528 15.999 > 27 64 O 0.43602196167716 0.99960622701881 0.57444694063308 15.999 > 28 65 O 0.15449406728028 0.62926045157446 0.23519677624676 15.999 > 29 66 O 0.74533607175041 0.07341196074157 0.65012549434938 15.999 > 30 67 O 0.38821623601485 0.78454907267065 0.31574789339311 15.999 > 31 68 O 0.56825954614805 0.57662867791814 0.72185319803261 15.999 > 32 69 O 0.87339888613256 0.11628071439172 0.97907635412528 15.999 > 33 70 O 0.56825954614805 0.42337132208186 0.22185319803261 15.999 > 34 71 O 0.11178376398515 0.28454907267065 0.18425210660689 15.999 > 35 72 O 0.88821623601485 0.71545092732935 0.81574789339311 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.163966710002654 0.000000000000000 0.000000000000000 b 0.000000000000000 14.006211560000001 0.000000000000000 c -5.582540806070120 0.000000000000000 7.696508141576362 Atomic positions (fractional): *1 Li 0.00000000000000 0.14585836173019 0.75000000000000 6.941 > 1 2 Li 0.00000000000000 0.64585836173019 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.35414163826981 0.25000000000000 6.941 > 2 4 Li 0.00000000000000 0.85414163826981 0.25000000000000 6.941 > 2 5 Li 0.50000000000000 0.39585836173019 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.89585836173019 0.75000000000000 6.941 > 1 7 Li 0.50000000000000 0.10414163826981 0.25000000000000 6.941 > 2 8 Li 0.50000000000000 0.60414163826981 0.25000000000000 6.941 > 2 *9 Er 0.00000000000000 0.39717201775085 0.75000000000000 167.259 > 3 10 Er 0.00000000000000 0.89717201775085 0.75000000000000 167.259 > 3 11 Er 0.00000000000000 0.10282798224915 0.25000000000000 167.259 > 4 12 Er 0.00000000000000 0.60282798224915 0.25000000000000 167.259 > 4 13 Er 0.50000000000000 0.14717201775085 0.75000000000000 167.259 > 3 14 Er 0.50000000000000 0.64717201775085 0.75000000000000 167.259 > 3 15 Er 0.50000000000000 0.35282798224915 0.25000000000000 167.259 > 4 16 Er 0.50000000000000 0.85282798224915 0.25000000000000 167.259 > 4 *17 P 0.64465466151439 0.17728325254462 0.19246071898539 30.974 > 5 18 P 0.64465466151439 0.67728325254462 0.19246071898539 30.974 > 5 *19 P 0.36376919417654 0.02466151210716 0.88424389945383 30.974 > 6 20 P 0.36376919417654 0.52466151210717 0.88424389945383 30.974 > 6 21 P 0.85534533848561 0.42728325254462 0.30753928101460 30.974 > 7 22 P 0.85534533848561 0.92728325254462 0.30753928101460 30.974 > 7 23 P 0.63623080582346 0.47533848789284 0.11575610054617 30.974 > 8 24 P 0.63623080582346 0.97533848789284 0.11575610054617 30.974 > 8 25 P 0.35534533848561 0.32271674745538 0.80753928101460 30.974 > 9 26 P 0.35534533848561 0.82271674745538 0.80753928101460 30.974 > 9 27 P 0.86376919417654 0.22533848789284 0.38424389945383 30.974 > 10 28 P 0.86376919417654 0.72533848789284 0.38424389945383 30.974 > 10 29 P 0.13623080582346 0.27466151210716 0.61575610054617 30.974 > 11 30 P 0.13623080582346 0.77466151210716 0.61575610054617 30.974 > 11 31 P 0.14465466151439 0.07271674745538 0.69246071898540 30.974 > 12 32 P 0.14465466151439 0.57271674745538 0.69246071898540 30.974 > 12 33 P 0.14465466151439 0.42728325254462 0.19246071898539 30.974 > 5 34 P 0.14465466151439 0.92728325254462 0.19246071898539 30.974 > 5 35 P 0.86376919417654 0.27466151210716 0.88424389945383 30.974 > 6 36 P 0.86376919417654 0.77466151210716 0.88424389945383 30.974 > 6 37 P 0.35534533848561 0.17728325254462 0.30753928101460 30.974 > 7 38 P 0.35534533848561 0.67728325254462 0.30753928101460 30.974 > 7 39 P 0.13623080582346 0.22533848789284 0.11575610054617 30.974 > 8 40 P 0.13623080582346 0.72533848789284 0.11575610054617 30.974 > 8 41 P 0.85534533848561 0.07271674745538 0.80753928101460 30.974 > 9 42 P 0.85534533848561 0.57271674745538 0.80753928101460 30.974 > 9 43 P 0.36376919417654 0.47533848789284 0.38424389945383 30.974 > 10 44 P 0.36376919417654 0.97533848789284 0.38424389945383 30.974 > 10 45 P 0.63623080582346 0.02466151210716 0.61575610054617 30.974 > 11 46 P 0.63623080582346 0.52466151210717 0.61575610054617 30.974 > 11 47 P 0.64465466151439 0.32271674745538 0.69246071898540 30.974 > 12 48 P 0.64465466151439 0.82271674745538 0.69246071898540 30.974 > 12 *49 O 0.93174045385195 0.46168566104093 0.27814680196739 15.999 > 13 50 O 0.93174045385195 0.96168566104093 0.27814680196739 15.999 > 13 *51 O 0.93602196167716 0.25019688649060 0.07444694063308 15.999 > 14 52 O 0.93602196167716 0.75019688649060 0.07444694063308 15.999 > 14 *53 O 0.75466392824959 0.21329401962922 0.34987450565063 15.999 > 15 54 O 0.75466392824959 0.71329401962922 0.34987450565063 15.999 > 15 55 O 0.06397803832284 0.24980311350940 0.92555305936692 15.999 > 16 56 O 0.06397803832284 0.74980311350940 0.92555305936692 15.999 > 16 *57 O 0.11178376398515 0.35772546366468 0.68425210660689 15.999 > 17 58 O 0.11178376398515 0.85772546366468 0.68425210660689 15.999 > 17 *59 O 0.12660111386744 0.05814035719586 0.52092364587472 15.999 > 18 60 O 0.12660111386744 0.55814035719586 0.52092364587472 15.999 > 18 61 O 0.06397803832284 0.25019688649060 0.42555305936692 15.999 > 19 62 O 0.06397803832284 0.75019688649060 0.42555305936692 15.999 > 19 63 O 0.74533607175041 0.46329401962922 0.15012549434937 15.999 > 20 64 O 0.74533607175041 0.96329401962922 0.15012549434937 15.999 > 20 65 O 0.62660111386744 0.19185964280414 0.02092364587472 15.999 > 21 66 O 0.62660111386744 0.69185964280414 0.02092364587472 15.999 > 21 *67 O 0.15449406728028 0.18536977421277 0.73519677624676 15.999 > 22 68 O 0.15449406728028 0.68536977421277 0.73519677624676 15.999 > 22 69 O 0.84550593271972 0.31463022578723 0.26480322375324 15.999 > 23 70 O 0.84550593271972 0.81463022578723 0.26480322375324 15.999 > 23 71 O 0.93174045385195 0.03831433895907 0.77814680196739 15.999 > 24 72 O 0.93174045385195 0.53831433895907 0.77814680196739 15.999 > 24 73 O 0.25466392824959 0.03670598037078 0.84987450565062 15.999 > 25 74 O 0.25466392824959 0.53670598037078 0.84987450565062 15.999 > 25 75 O 0.34550593271972 0.43536977421277 0.76480322375324 15.999 > 26 76 O 0.34550593271972 0.93536977421277 0.76480322375324 15.999 > 26 77 O 0.87339888613256 0.44185964280414 0.47907635412528 15.999 > 27 78 O 0.87339888613256 0.94185964280414 0.47907635412528 15.999 > 27 79 O 0.93602196167716 0.24980311350940 0.57444694063308 15.999 > 28 80 O 0.93602196167716 0.74980311350940 0.57444694063308 15.999 > 28 81 O 0.65449406728028 0.06463022578723 0.23519677624676 15.999 > 29 82 O 0.65449406728028 0.56463022578723 0.23519677624676 15.999 > 29 83 O 0.24533607175041 0.28670598037078 0.65012549434938 15.999 > 30 84 O 0.24533607175041 0.78670598037078 0.65012549434938 15.999 > 30 85 O 0.88821623601485 0.14227453633532 0.31574789339311 15.999 > 31 86 O 0.88821623601485 0.64227453633532 0.31574789339311 15.999 > 31 87 O 0.06825954614805 0.03831433895907 0.72185319803261 15.999 > 32 88 O 0.06825954614805 0.53831433895907 0.72185319803261 15.999 > 32 89 O 0.37339888613256 0.30814035719586 0.97907635412528 15.999 > 33 90 O 0.37339888613256 0.80814035719586 0.97907635412528 15.999 > 33 91 O 0.06825954614805 0.46168566104093 0.22185319803261 15.999 > 34 92 O 0.06825954614805 0.96168566104093 0.22185319803261 15.999 > 34 93 O 0.61178376398515 0.39227453633532 0.18425210660689 15.999 > 35 94 O 0.61178376398515 0.89227453633532 0.18425210660689 15.999 > 35 95 O 0.38821623601485 0.10772546366468 0.81574789339311 15.999 > 36 96 O 0.38821623601485 0.60772546366468 0.81574789339311 15.999 > 36 97 O 0.43174045385195 0.21168566104093 0.27814680196739 15.999 > 13 98 O 0.43174045385195 0.71168566104093 0.27814680196739 15.999 > 13 99 O 0.43602196167716 0.00019688649060 0.07444694063308 15.999 > 14 100 O 0.43602196167716 0.50019688649060 0.07444694063308 15.999 > 14 101 O 0.25466392824959 0.46329401962922 0.34987450565063 15.999 > 15 102 O 0.25466392824959 0.96329401962922 0.34987450565063 15.999 > 15 103 O 0.56397803832284 0.49980311350940 0.92555305936692 15.999 > 16 104 O 0.56397803832284 0.99980311350940 0.92555305936692 15.999 > 16 105 O 0.61178376398515 0.10772546366468 0.68425210660689 15.999 > 17 106 O 0.61178376398515 0.60772546366468 0.68425210660689 15.999 > 17 107 O 0.62660111386744 0.30814035719586 0.52092364587472 15.999 > 18 108 O 0.62660111386744 0.80814035719586 0.52092364587472 15.999 > 18 109 O 0.56397803832284 0.00019688649060 0.42555305936692 15.999 > 19 110 O 0.56397803832284 0.50019688649060 0.42555305936692 15.999 > 19 111 O 0.24533607175041 0.21329401962922 0.15012549434937 15.999 > 20 112 O 0.24533607175041 0.71329401962922 0.15012549434937 15.999 > 20 113 O 0.12660111386744 0.44185964280414 0.02092364587472 15.999 > 21 114 O 0.12660111386744 0.94185964280414 0.02092364587472 15.999 > 21 115 O 0.65449406728028 0.43536977421277 0.73519677624676 15.999 > 22 116 O 0.65449406728028 0.93536977421277 0.73519677624676 15.999 > 22 117 O 0.34550593271972 0.06463022578723 0.26480322375324 15.999 > 23 118 O 0.34550593271972 0.56463022578723 0.26480322375324 15.999 > 23 119 O 0.43174045385195 0.28831433895907 0.77814680196739 15.999 > 24 120 O 0.43174045385195 0.78831433895907 0.77814680196739 15.999 > 24 121 O 0.75466392824959 0.28670598037078 0.84987450565062 15.999 > 25 122 O 0.75466392824959 0.78670598037078 0.84987450565062 15.999 > 25 123 O 0.84550593271972 0.18536977421277 0.76480322375324 15.999 > 26 124 O 0.84550593271972 0.68536977421277 0.76480322375324 15.999 > 26 125 O 0.37339888613256 0.19185964280414 0.47907635412528 15.999 > 27 126 O 0.37339888613256 0.69185964280414 0.47907635412528 15.999 > 27 127 O 0.43602196167716 0.49980311350940 0.57444694063308 15.999 > 28 128 O 0.43602196167716 0.99980311350940 0.57444694063308 15.999 > 28 129 O 0.15449406728028 0.31463022578723 0.23519677624676 15.999 > 29 130 O 0.15449406728028 0.81463022578723 0.23519677624676 15.999 > 29 131 O 0.74533607175041 0.03670598037078 0.65012549434938 15.999 > 30 132 O 0.74533607175041 0.53670598037078 0.65012549434938 15.999 > 30 133 O 0.38821623601485 0.39227453633532 0.31574789339311 15.999 > 31 134 O 0.38821623601485 0.89227453633532 0.31574789339311 15.999 > 31 135 O 0.56825954614805 0.28831433895907 0.72185319803261 15.999 > 32 136 O 0.56825954614805 0.78831433895907 0.72185319803261 15.999 > 32 137 O 0.87339888613256 0.05814035719586 0.97907635412528 15.999 > 33 138 O 0.87339888613256 0.55814035719586 0.97907635412528 15.999 > 33 139 O 0.56825954614805 0.21168566104093 0.22185319803261 15.999 > 34 140 O 0.56825954614805 0.71168566104093 0.22185319803261 15.999 > 34 141 O 0.11178376398515 0.14227453633532 0.18425210660689 15.999 > 35 142 O 0.11178376398515 0.64227453633532 0.18425210660689 15.999 > 35 143 O 0.88821623601485 0.35772546366468 0.81574789339311 15.999 > 36 144 O 0.88821623601485 0.85772546366468 0.81574789339311 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7871646 0.0000000 0.0373144 0.0000000 2.7688424 0.0000000 0.0373110 0.0000000 2.7406084 -------------------------- Born effective charges -------------------------- 1 Li 1.1631091 -0.0000000 -0.1062602 0.0000000 1.0943421 0.0000000 -0.1293846 0.0000000 1.0661568 2 Li 1.1631091 -0.0000000 -0.1062602 0.0000000 1.0943421 0.0000000 -0.1293846 0.0000000 1.0661568 3 Er 3.9662722 -0.0000000 -0.4519644 0.0000000 3.8637832 0.0000000 -0.2339621 0.0000000 4.4010849 4 Er 3.9662722 -0.0000000 -0.4519644 0.0000000 3.8637832 0.0000000 -0.2339621 0.0000000 4.4010849 5 P 3.5970837 0.0923256 0.7473815 -0.1776993 3.8060742 0.2708641 -0.0498331 0.2810871 3.4011478 6 P 3.7539571 0.2815003 0.1477962 -0.4011839 3.6510169 0.1482025 0.7857154 -0.2866613 3.2476137 7 P 3.5970837 -0.0923256 0.7473815 0.1776993 3.8060742 -0.2708641 -0.0498331 -0.2810871 3.4011478 8 P 3.7539571 0.2815003 0.1477962 -0.4011839 3.6510169 0.1482025 0.7857154 -0.2866613 3.2476137 9 P 3.5970837 0.0923256 0.7473815 -0.1776993 3.8060742 0.2708641 -0.0498331 0.2810871 3.4011478 10 P 3.7539571 -0.2815003 0.1477962 0.4011839 3.6510169 -0.1482025 0.7857154 0.2866613 3.2476137 11 P 3.7539571 -0.2815003 0.1477962 0.4011839 3.6510169 -0.1482025 0.7857154 0.2866613 3.2476137 12 P 3.5970837 -0.0923256 0.7473815 0.1776993 3.8060742 -0.2708641 -0.0498331 -0.2810871 3.4011478 13 O -2.1024019 -0.4842057 0.1816592 -0.5966020 -1.7004539 0.1426350 0.2532426 0.1248484 -1.0209372 14 O -1.1001697 0.0013764 -0.1205074 0.0383164 -1.4048063 0.2768151 -0.1254152 0.4140247 -2.1250926 15 O -2.6291573 -0.3641616 -1.0440641 -0.6333169 -1.0881430 -0.4370075 -1.0394248 -0.3388573 -1.5905871 16 O -1.1001697 0.0013764 -0.1205074 0.0383164 -1.4048063 0.2768151 -0.1254152 0.4140247 -2.1250926 17 O -1.9883375 0.6229604 0.3066502 0.5525589 -1.6599173 -0.3307001 0.1536238 -0.2884518 -1.0960560 18 O -1.0842393 0.0484336 0.0016397 0.0340447 -1.1140072 0.1364585 0.1541452 0.1551225 -2.4388567 19 O -1.1001697 -0.0013764 -0.1205074 -0.0383164 -1.4048063 -0.2768151 -0.1254152 -0.4140247 -2.1250926 20 O -2.6291573 0.3641616 -1.0440641 0.6333169 -1.0881430 0.4370075 -1.0394248 0.3388573 -1.5905871 21 O -1.0842393 -0.0484336 0.0016397 -0.0340447 -1.1140072 -0.1364585 0.1541452 -0.1551225 -2.4388567 22 O -1.0114258 -0.1130392 0.0585571 -0.2291938 -2.9688261 0.3885278 0.0496194 0.2631523 -1.1108528 23 O -1.0114258 -0.1130392 0.0585571 -0.2291938 -2.9688261 0.3885278 0.0496194 0.2631523 -1.1108528 24 O -2.1024019 0.4842057 0.1816592 0.5966020 -1.7004539 -0.1426350 0.2532426 -0.1248484 -1.0209372 25 O -2.6291573 0.3641616 -1.0440641 0.6333169 -1.0881430 0.4370075 -1.0394248 0.3388573 -1.5905871 26 O -1.0114258 0.1130392 0.0585571 0.2291938 -2.9688261 -0.3885278 0.0496194 -0.2631523 -1.1108528 27 O -1.0842393 0.0484336 0.0016397 0.0340447 -1.1140072 0.1364585 0.1541452 0.1551225 -2.4388567 28 O -1.1001697 -0.0013764 -0.1205074 -0.0383164 -1.4048063 -0.2768151 -0.1254152 -0.4140247 -2.1250926 29 O -1.0114258 0.1130392 0.0585571 0.2291938 -2.9688261 -0.3885278 0.0496194 -0.2631523 -1.1108528 30 O -2.6291573 -0.3641616 -1.0440641 -0.6333169 -1.0881430 -0.4370075 -1.0394248 -0.3388573 -1.5905871 31 O -1.9883375 0.6229604 0.3066502 0.5525589 -1.6599173 -0.3307001 0.1536238 -0.2884518 -1.0960560 32 O -2.1024019 -0.4842057 0.1816592 -0.5966020 -1.7004539 0.1426350 0.2532426 0.1248484 -1.0209372 33 O -1.0842393 -0.0484336 0.0016397 -0.0340447 -1.1140072 -0.1364585 0.1541452 -0.1551225 -2.4388567 34 O -2.1024019 0.4842057 0.1816592 0.5966020 -1.7004539 -0.1426350 0.2532426 -0.1248484 -1.0209372 35 O -1.9883375 -0.6229604 0.3066502 -0.5525589 -1.6599173 0.3307001 0.1536238 0.2884518 -1.0960560 36 O -1.9883375 -0.6229604 0.3066502 -0.5525589 -1.6599173 0.3307001 0.1536238 0.2884518 -1.0960560 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 266 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 266 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 266), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 234), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 266), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 234), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.010 Solver_block: 200 / 1120 - Time: 1.800 Solver_block: 300 / 1120 - Time: 1.793 Solver_block: 400 / 1120 - Time: 1.789 Solver_block: 500 / 1120 - Time: 1.794 Solver_block: 600 / 1120 - Time: 1.795 Solver_block: 700 / 1120 - Time: 1.789 Solver_block: 800 / 1120 - Time: 1.796 Solver_block: 900 / 1120 - Time: 1.791 Solver_block: 1000 / 1120 - Time: 1.789 Solver_block: 1100 / 1120 - Time: 1.790 Solver_block: 1120 / 1120 - Time: 0.581 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 21.033 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 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: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 266 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 266 eigenvectors found. (1) Complementary block size: 46 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 266), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 234), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 266), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 234), data: True |-- (250, 235), data: True |-- (500, 484), data: False |-- (500, 15), data: (500, 31) @ (31, 15) |-- (250, 235), data: True |-- (250, 234), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 11:43:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:43:45]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.081983355001327 -3.501552890000000 0.000000000000000 b 8.081983355001327 3.501552890000000 0.000000000000000 c -5.582540806070120 0.000000000000000 7.696508141576362 Atomic positions (fractional): 1 Li 0.70828327653963 0.29171672346037 0.75000000000000 6.941 2 Li 0.29171672346037 0.70828327653963 0.25000000000000 6.941 3 Er 0.20565596449831 0.79434403550169 0.75000000000000 167.259 4 Er 0.79434403550169 0.20565596449831 0.25000000000000 167.259 5 P 0.29008815642514 0.99922116660364 0.19246071898539 30.974 6 P 0.31444616996221 0.41309221839087 0.88424389945383 30.974 7 P 0.00077883339636 0.70991184357486 0.30753928101460 30.974 8 P 0.68555383003779 0.58690778160913 0.11575610054617 30.974 9 P 0.70991184357486 0.00077883339636 0.80753928101460 30.974 10 P 0.41309221839087 0.31444616996221 0.38424389945383 30.974 11 P 0.58690778160913 0.68555383003779 0.61575610054617 30.974 12 P 0.99922116660364 0.29008815642514 0.69246071898540 30.974 13 O 0.00836913177010 0.85511177593381 0.27814680196739 15.999 14 O 0.43562818869597 0.43641573465836 0.07444694063308 15.999 15 O 0.32807588899116 0.18125196750803 0.34987450565063 15.999 16 O 0.56437181130403 0.56358426534164 0.92555305936692 15.999 17 O 0.39633283665580 0.82723469131451 0.68425210660689 15.999 18 O 0.01032039947572 0.24288182825916 0.52092364587472 15.999 19 O 0.56358426534164 0.56437181130403 0.42555305936692 15.999 20 O 0.81874803249197 0.67192411100884 0.15012549434937 15.999 21 O 0.24288182825916 0.01032039947572 0.02092364587472 15.999 22 O 0.78375451885474 0.52523361570582 0.73519677624676 15.999 23 O 0.21624548114526 0.47476638429419 0.26480322375324 15.999 24 O 0.85511177593381 0.00836913177010 0.77814680196739 15.999 25 O 0.18125196750802 0.32807588899116 0.84987450565062 15.999 26 O 0.47476638429418 0.21624548114526 0.76480322375324 15.999 27 O 0.98967960052428 0.75711817174084 0.47907635412528 15.999 28 O 0.43641573465836 0.43562818869597 0.57444694063308 15.999 29 O 0.52523361570581 0.78375451885474 0.23519677624676 15.999 30 O 0.67192411100884 0.81874803249197 0.65012549434938 15.999 31 O 0.60366716334420 0.17276530868549 0.31574789339311 15.999 32 O 0.99163086822990 0.14488822406619 0.72185319803261 15.999 33 O 0.75711817174084 0.98967960052428 0.97907635412528 15.999 34 O 0.14488822406619 0.99163086822990 0.22185319803261 15.999 35 O 0.82723469131451 0.39633283665580 0.18425210660689 15.999 36 O 0.17276530868549 0.60366716334420 0.81574789339311 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.163966710002654 0.000000000000000 0.000000000000000 b 0.000000000000000 14.006211560000001 0.000000000000000 c -5.582540806070120 0.000000000000000 7.696508141576362 Atomic positions (fractional): 1 Li 0.00000000000000 0.14585836173019 0.75000000000000 6.941 > 1 2 Li 0.00000000000000 0.64585836173019 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.35414163826981 0.25000000000000 6.941 > 3 4 Li 0.00000000000000 0.85414163826981 0.25000000000000 6.941 > 3 5 Li 0.50000000000000 0.39585836173019 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.89585836173019 0.75000000000000 6.941 > 1 7 Li 0.50000000000000 0.10414163826981 0.25000000000000 6.941 > 3 8 Li 0.50000000000000 0.60414163826981 0.25000000000000 6.941 > 3 9 Er 0.00000000000000 0.39717201775085 0.75000000000000 167.259 > 9 10 Er 0.00000000000000 0.89717201775085 0.75000000000000 167.259 > 9 11 Er 0.00000000000000 0.10282798224915 0.25000000000000 167.259 > 11 12 Er 0.00000000000000 0.60282798224915 0.25000000000000 167.259 > 11 13 Er 0.50000000000000 0.14717201775085 0.75000000000000 167.259 > 9 14 Er 0.50000000000000 0.64717201775085 0.75000000000000 167.259 > 9 15 Er 0.50000000000000 0.35282798224915 0.25000000000000 167.259 > 11 16 Er 0.50000000000000 0.85282798224915 0.25000000000000 167.259 > 11 17 P 0.64465466151439 0.17728325254462 0.19246071898539 30.974 > 17 18 P 0.64465466151439 0.67728325254462 0.19246071898539 30.974 > 17 19 P 0.36376919417654 0.02466151210716 0.88424389945383 30.974 > 19 20 P 0.36376919417654 0.52466151210717 0.88424389945383 30.974 > 19 21 P 0.85534533848561 0.42728325254462 0.30753928101460 30.974 > 21 22 P 0.85534533848561 0.92728325254462 0.30753928101460 30.974 > 21 23 P 0.63623080582346 0.47533848789284 0.11575610054617 30.974 > 23 24 P 0.63623080582346 0.97533848789284 0.11575610054617 30.974 > 23 25 P 0.35534533848561 0.32271674745538 0.80753928101460 30.974 > 25 26 P 0.35534533848561 0.82271674745538 0.80753928101460 30.974 > 25 27 P 0.86376919417654 0.22533848789284 0.38424389945383 30.974 > 27 28 P 0.86376919417654 0.72533848789284 0.38424389945383 30.974 > 27 29 P 0.13623080582346 0.27466151210716 0.61575610054617 30.974 > 29 30 P 0.13623080582346 0.77466151210716 0.61575610054617 30.974 > 29 31 P 0.14465466151439 0.07271674745538 0.69246071898540 30.974 > 31 32 P 0.14465466151439 0.57271674745538 0.69246071898540 30.974 > 31 33 P 0.14465466151439 0.42728325254462 0.19246071898539 30.974 > 17 34 P 0.14465466151439 0.92728325254462 0.19246071898539 30.974 > 17 35 P 0.86376919417654 0.27466151210716 0.88424389945383 30.974 > 19 36 P 0.86376919417654 0.77466151210716 0.88424389945383 30.974 > 19 37 P 0.35534533848561 0.17728325254462 0.30753928101460 30.974 > 21 38 P 0.35534533848561 0.67728325254462 0.30753928101460 30.974 > 21 39 P 0.13623080582346 0.22533848789284 0.11575610054617 30.974 > 23 40 P 0.13623080582346 0.72533848789284 0.11575610054617 30.974 > 23 41 P 0.85534533848561 0.07271674745538 0.80753928101460 30.974 > 25 42 P 0.85534533848561 0.57271674745538 0.80753928101460 30.974 > 25 43 P 0.36376919417654 0.47533848789284 0.38424389945383 30.974 > 27 44 P 0.36376919417654 0.97533848789284 0.38424389945383 30.974 > 27 45 P 0.63623080582346 0.02466151210716 0.61575610054617 30.974 > 29 46 P 0.63623080582346 0.52466151210717 0.61575610054617 30.974 > 29 47 P 0.64465466151439 0.32271674745538 0.69246071898540 30.974 > 31 48 P 0.64465466151439 0.82271674745538 0.69246071898540 30.974 > 31 49 O 0.93174045385195 0.46168566104093 0.27814680196739 15.999 > 49 50 O 0.93174045385195 0.96168566104093 0.27814680196739 15.999 > 49 51 O 0.93602196167716 0.25019688649060 0.07444694063308 15.999 > 51 52 O 0.93602196167716 0.75019688649060 0.07444694063308 15.999 > 51 53 O 0.75466392824959 0.21329401962922 0.34987450565063 15.999 > 53 54 O 0.75466392824959 0.71329401962922 0.34987450565063 15.999 > 53 55 O 0.06397803832284 0.24980311350940 0.92555305936692 15.999 > 55 56 O 0.06397803832284 0.74980311350940 0.92555305936692 15.999 > 55 57 O 0.11178376398515 0.35772546366468 0.68425210660689 15.999 > 57 58 O 0.11178376398515 0.85772546366468 0.68425210660689 15.999 > 57 59 O 0.12660111386744 0.05814035719586 0.52092364587472 15.999 > 59 60 O 0.12660111386744 0.55814035719586 0.52092364587472 15.999 > 59 61 O 0.06397803832284 0.25019688649060 0.42555305936692 15.999 > 61 62 O 0.06397803832284 0.75019688649060 0.42555305936692 15.999 > 61 63 O 0.74533607175041 0.46329401962922 0.15012549434937 15.999 > 63 64 O 0.74533607175041 0.96329401962922 0.15012549434937 15.999 > 63 65 O 0.62660111386744 0.19185964280414 0.02092364587472 15.999 > 65 66 O 0.62660111386744 0.69185964280414 0.02092364587472 15.999 > 65 67 O 0.15449406728028 0.18536977421277 0.73519677624676 15.999 > 67 68 O 0.15449406728028 0.68536977421277 0.73519677624676 15.999 > 67 69 O 0.84550593271972 0.31463022578723 0.26480322375324 15.999 > 69 70 O 0.84550593271972 0.81463022578723 0.26480322375324 15.999 > 69 71 O 0.93174045385195 0.03831433895907 0.77814680196739 15.999 > 71 72 O 0.93174045385195 0.53831433895907 0.77814680196739 15.999 > 71 73 O 0.25466392824959 0.03670598037078 0.84987450565062 15.999 > 73 74 O 0.25466392824959 0.53670598037078 0.84987450565062 15.999 > 73 75 O 0.34550593271972 0.43536977421277 0.76480322375324 15.999 > 75 76 O 0.34550593271972 0.93536977421277 0.76480322375324 15.999 > 75 77 O 0.87339888613256 0.44185964280414 0.47907635412528 15.999 > 77 78 O 0.87339888613256 0.94185964280414 0.47907635412528 15.999 > 77 79 O 0.93602196167716 0.24980311350940 0.57444694063308 15.999 > 79 80 O 0.93602196167716 0.74980311350940 0.57444694063308 15.999 > 79 81 O 0.65449406728028 0.06463022578723 0.23519677624676 15.999 > 81 82 O 0.65449406728028 0.56463022578723 0.23519677624676 15.999 > 81 83 O 0.24533607175041 0.28670598037078 0.65012549434938 15.999 > 83 84 O 0.24533607175041 0.78670598037078 0.65012549434938 15.999 > 83 85 O 0.88821623601485 0.14227453633532 0.31574789339311 15.999 > 85 86 O 0.88821623601485 0.64227453633532 0.31574789339311 15.999 > 85 87 O 0.06825954614805 0.03831433895907 0.72185319803261 15.999 > 87 88 O 0.06825954614805 0.53831433895907 0.72185319803261 15.999 > 87 89 O 0.37339888613256 0.30814035719586 0.97907635412528 15.999 > 89 90 O 0.37339888613256 0.80814035719586 0.97907635412528 15.999 > 89 91 O 0.06825954614805 0.46168566104093 0.22185319803261 15.999 > 91 92 O 0.06825954614805 0.96168566104093 0.22185319803261 15.999 > 91 93 O 0.61178376398515 0.39227453633532 0.18425210660689 15.999 > 93 94 O 0.61178376398515 0.89227453633532 0.18425210660689 15.999 > 93 95 O 0.38821623601485 0.10772546366468 0.81574789339311 15.999 > 95 96 O 0.38821623601485 0.60772546366468 0.81574789339311 15.999 > 95 97 O 0.43174045385195 0.21168566104093 0.27814680196739 15.999 > 49 98 O 0.43174045385195 0.71168566104093 0.27814680196739 15.999 > 49 99 O 0.43602196167716 0.00019688649060 0.07444694063308 15.999 > 51 100 O 0.43602196167716 0.50019688649060 0.07444694063308 15.999 > 51 101 O 0.25466392824959 0.46329401962922 0.34987450565063 15.999 > 53 102 O 0.25466392824959 0.96329401962922 0.34987450565063 15.999 > 53 103 O 0.56397803832284 0.49980311350940 0.92555305936692 15.999 > 55 104 O 0.56397803832284 0.99980311350940 0.92555305936692 15.999 > 55 105 O 0.61178376398515 0.10772546366468 0.68425210660689 15.999 > 57 106 O 0.61178376398515 0.60772546366468 0.68425210660689 15.999 > 57 107 O 0.62660111386744 0.30814035719586 0.52092364587472 15.999 > 59 108 O 0.62660111386744 0.80814035719586 0.52092364587472 15.999 > 59 109 O 0.56397803832284 0.00019688649060 0.42555305936692 15.999 > 61 110 O 0.56397803832284 0.50019688649060 0.42555305936692 15.999 > 61 111 O 0.24533607175041 0.21329401962922 0.15012549434937 15.999 > 63 112 O 0.24533607175041 0.71329401962922 0.15012549434937 15.999 > 63 113 O 0.12660111386744 0.44185964280414 0.02092364587472 15.999 > 65 114 O 0.12660111386744 0.94185964280414 0.02092364587472 15.999 > 65 115 O 0.65449406728028 0.43536977421277 0.73519677624676 15.999 > 67 116 O 0.65449406728028 0.93536977421277 0.73519677624676 15.999 > 67 117 O 0.34550593271972 0.06463022578723 0.26480322375324 15.999 > 69 118 O 0.34550593271972 0.56463022578723 0.26480322375324 15.999 > 69 119 O 0.43174045385195 0.28831433895907 0.77814680196739 15.999 > 71 120 O 0.43174045385195 0.78831433895907 0.77814680196739 15.999 > 71 121 O 0.75466392824959 0.28670598037078 0.84987450565062 15.999 > 73 122 O 0.75466392824959 0.78670598037078 0.84987450565062 15.999 > 73 123 O 0.84550593271972 0.18536977421277 0.76480322375324 15.999 > 75 124 O 0.84550593271972 0.68536977421277 0.76480322375324 15.999 > 75 125 O 0.37339888613256 0.19185964280414 0.47907635412528 15.999 > 77 126 O 0.37339888613256 0.69185964280414 0.47907635412528 15.999 > 77 127 O 0.43602196167716 0.49980311350940 0.57444694063308 15.999 > 79 128 O 0.43602196167716 0.99980311350940 0.57444694063308 15.999 > 79 129 O 0.15449406728028 0.31463022578723 0.23519677624676 15.999 > 81 130 O 0.15449406728028 0.81463022578723 0.23519677624676 15.999 > 81 131 O 0.74533607175041 0.03670598037078 0.65012549434938 15.999 > 83 132 O 0.74533607175041 0.53670598037078 0.65012549434938 15.999 > 83 133 O 0.38821623601485 0.39227453633532 0.31574789339311 15.999 > 85 134 O 0.38821623601485 0.89227453633532 0.31574789339311 15.999 > 85 135 O 0.56825954614805 0.28831433895907 0.72185319803261 15.999 > 87 136 O 0.56825954614805 0.78831433895907 0.72185319803261 15.999 > 87 137 O 0.87339888613256 0.05814035719586 0.97907635412528 15.999 > 89 138 O 0.87339888613256 0.55814035719586 0.97907635412528 15.999 > 89 139 O 0.56825954614805 0.21168566104093 0.22185319803261 15.999 > 91 140 O 0.56825954614805 0.71168566104093 0.22185319803261 15.999 > 91 141 O 0.11178376398515 0.14227453633532 0.18425210660689 15.999 > 93 142 O 0.11178376398515 0.64227453633532 0.18425210660689 15.999 > 93 143 O 0.88821623601485 0.35772546366468 0.81574789339311 15.999 > 95 144 O 0.88821623601485 0.85772546366468 0.81574789339311 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7871646 0.0000000 0.0373144 0.0000000 2.7688424 0.0000000 0.0373110 0.0000000 2.7406084 -------------------------- Born effective charges -------------------------- 1 Li 1.1631091 -0.0000000 -0.1062602 0.0000000 1.0943421 0.0000000 -0.1293846 0.0000000 1.0661568 2 Li 1.1631091 -0.0000000 -0.1062602 0.0000000 1.0943421 0.0000000 -0.1293846 0.0000000 1.0661568 3 Er 3.9662722 -0.0000000 -0.4519644 0.0000000 3.8637832 0.0000000 -0.2339621 0.0000000 4.4010849 4 Er 3.9662722 -0.0000000 -0.4519644 0.0000000 3.8637832 0.0000000 -0.2339621 0.0000000 4.4010849 5 P 3.5970837 0.0923256 0.7473815 -0.1776993 3.8060742 0.2708641 -0.0498331 0.2810871 3.4011478 6 P 3.7539571 0.2815003 0.1477962 -0.4011839 3.6510169 0.1482025 0.7857154 -0.2866613 3.2476137 7 P 3.5970837 -0.0923256 0.7473815 0.1776993 3.8060742 -0.2708641 -0.0498331 -0.2810871 3.4011478 8 P 3.7539571 0.2815003 0.1477962 -0.4011839 3.6510169 0.1482025 0.7857154 -0.2866613 3.2476137 9 P 3.5970837 0.0923256 0.7473815 -0.1776993 3.8060742 0.2708641 -0.0498331 0.2810871 3.4011478 10 P 3.7539571 -0.2815003 0.1477962 0.4011839 3.6510169 -0.1482025 0.7857154 0.2866613 3.2476137 11 P 3.7539571 -0.2815003 0.1477962 0.4011839 3.6510169 -0.1482025 0.7857154 0.2866613 3.2476137 12 P 3.5970837 -0.0923256 0.7473815 0.1776993 3.8060742 -0.2708641 -0.0498331 -0.2810871 3.4011478 13 O -2.1024019 -0.4842057 0.1816592 -0.5966020 -1.7004539 0.1426350 0.2532426 0.1248484 -1.0209372 14 O -1.1001697 0.0013764 -0.1205074 0.0383164 -1.4048063 0.2768151 -0.1254152 0.4140247 -2.1250926 15 O -2.6291573 -0.3641616 -1.0440641 -0.6333169 -1.0881430 -0.4370075 -1.0394248 -0.3388573 -1.5905871 16 O -1.1001697 0.0013764 -0.1205074 0.0383164 -1.4048063 0.2768151 -0.1254152 0.4140247 -2.1250926 17 O -1.9883375 0.6229604 0.3066502 0.5525589 -1.6599173 -0.3307001 0.1536238 -0.2884518 -1.0960560 18 O -1.0842393 0.0484336 0.0016397 0.0340447 -1.1140072 0.1364585 0.1541452 0.1551225 -2.4388567 19 O -1.1001697 -0.0013764 -0.1205074 -0.0383164 -1.4048063 -0.2768151 -0.1254152 -0.4140247 -2.1250926 20 O -2.6291573 0.3641616 -1.0440641 0.6333169 -1.0881430 0.4370075 -1.0394248 0.3388573 -1.5905871 21 O -1.0842393 -0.0484336 0.0016397 -0.0340447 -1.1140072 -0.1364585 0.1541452 -0.1551225 -2.4388567 22 O -1.0114258 -0.1130392 0.0585571 -0.2291938 -2.9688261 0.3885278 0.0496194 0.2631523 -1.1108528 23 O -1.0114258 -0.1130392 0.0585571 -0.2291938 -2.9688261 0.3885278 0.0496194 0.2631523 -1.1108528 24 O -2.1024019 0.4842057 0.1816592 0.5966020 -1.7004539 -0.1426350 0.2532426 -0.1248484 -1.0209372 25 O -2.6291573 0.3641616 -1.0440641 0.6333169 -1.0881430 0.4370075 -1.0394248 0.3388573 -1.5905871 26 O -1.0114258 0.1130392 0.0585571 0.2291938 -2.9688261 -0.3885278 0.0496194 -0.2631523 -1.1108528 27 O -1.0842393 0.0484336 0.0016397 0.0340447 -1.1140072 0.1364585 0.1541452 0.1551225 -2.4388567 28 O -1.1001697 -0.0013764 -0.1205074 -0.0383164 -1.4048063 -0.2768151 -0.1254152 -0.4140247 -2.1250926 29 O -1.0114258 0.1130392 0.0585571 0.2291938 -2.9688261 -0.3885278 0.0496194 -0.2631523 -1.1108528 30 O -2.6291573 -0.3641616 -1.0440641 -0.6333169 -1.0881430 -0.4370075 -1.0394248 -0.3388573 -1.5905871 31 O -1.9883375 0.6229604 0.3066502 0.5525589 -1.6599173 -0.3307001 0.1536238 -0.2884518 -1.0960560 32 O -2.1024019 -0.4842057 0.1816592 -0.5966020 -1.7004539 0.1426350 0.2532426 0.1248484 -1.0209372 33 O -1.0842393 -0.0484336 0.0016397 -0.0340447 -1.1140072 -0.1364585 0.1541452 -0.1551225 -2.4388567 34 O -2.1024019 0.4842057 0.1816592 0.5966020 -1.7004539 -0.1426350 0.2532426 -0.1248484 -1.0209372 35 O -1.9883375 -0.6229604 0.3066502 -0.5525589 -1.6599173 0.3307001 0.1536238 0.2884518 -1.0960560 36 O -1.9883375 -0.6229604 0.3066502 -0.5525589 -1.6599173 0.3307001 0.1536238 0.2884518 -1.0960560 ---------------------------------------------------------------------------- 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 19, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 59, 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] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 11:44:51]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 11:44:52]------------------------- 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 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.081983355001327 -3.501552890000000 0.000000000000000 b 8.081983355001327 3.501552890000000 0.000000000000000 c -5.582540806070120 0.000000000000000 7.696508141576362 Atomic positions (fractional): 1 Li 0.70828327653963 0.29171672346037 0.75000000000000 6.941 2 Li 0.29171672346037 0.70828327653963 0.25000000000000 6.941 3 Er 0.20565596449831 0.79434403550169 0.75000000000000 167.259 4 Er 0.79434403550169 0.20565596449831 0.25000000000000 167.259 5 P 0.29008815642514 0.99922116660364 0.19246071898539 30.974 6 P 0.31444616996221 0.41309221839087 0.88424389945383 30.974 7 P 0.00077883339636 0.70991184357486 0.30753928101460 30.974 8 P 0.68555383003779 0.58690778160913 0.11575610054617 30.974 9 P 0.70991184357486 0.00077883339636 0.80753928101460 30.974 10 P 0.41309221839087 0.31444616996221 0.38424389945383 30.974 11 P 0.58690778160913 0.68555383003779 0.61575610054617 30.974 12 P 0.99922116660364 0.29008815642514 0.69246071898540 30.974 13 O 0.00836913177010 0.85511177593381 0.27814680196739 15.999 14 O 0.43562818869597 0.43641573465836 0.07444694063308 15.999 15 O 0.32807588899116 0.18125196750803 0.34987450565063 15.999 16 O 0.56437181130403 0.56358426534164 0.92555305936692 15.999 17 O 0.39633283665580 0.82723469131451 0.68425210660689 15.999 18 O 0.01032039947572 0.24288182825916 0.52092364587472 15.999 19 O 0.56358426534164 0.56437181130403 0.42555305936692 15.999 20 O 0.81874803249197 0.67192411100884 0.15012549434937 15.999 21 O 0.24288182825916 0.01032039947572 0.02092364587472 15.999 22 O 0.78375451885474 0.52523361570582 0.73519677624676 15.999 23 O 0.21624548114526 0.47476638429419 0.26480322375324 15.999 24 O 0.85511177593381 0.00836913177010 0.77814680196739 15.999 25 O 0.18125196750802 0.32807588899116 0.84987450565062 15.999 26 O 0.47476638429418 0.21624548114526 0.76480322375324 15.999 27 O 0.98967960052428 0.75711817174084 0.47907635412528 15.999 28 O 0.43641573465836 0.43562818869597 0.57444694063308 15.999 29 O 0.52523361570581 0.78375451885474 0.23519677624676 15.999 30 O 0.67192411100884 0.81874803249197 0.65012549434938 15.999 31 O 0.60366716334420 0.17276530868549 0.31574789339311 15.999 32 O 0.99163086822990 0.14488822406619 0.72185319803261 15.999 33 O 0.75711817174084 0.98967960052428 0.97907635412528 15.999 34 O 0.14488822406619 0.99163086822990 0.22185319803261 15.999 35 O 0.82723469131451 0.39633283665580 0.18425210660689 15.999 36 O 0.17276530868549 0.60366716334420 0.81574789339311 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.163966710002654 0.000000000000000 0.000000000000000 b 0.000000000000000 14.006211560000001 0.000000000000000 c -5.582540806070120 0.000000000000000 7.696508141576362 Atomic positions (fractional): 1 Li 0.00000000000000 0.14585836173019 0.75000000000000 6.941 > 1 2 Li 0.00000000000000 0.64585836173019 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.35414163826981 0.25000000000000 6.941 > 3 4 Li 0.00000000000000 0.85414163826981 0.25000000000000 6.941 > 3 5 Li 0.50000000000000 0.39585836173019 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.89585836173019 0.75000000000000 6.941 > 1 7 Li 0.50000000000000 0.10414163826981 0.25000000000000 6.941 > 3 8 Li 0.50000000000000 0.60414163826981 0.25000000000000 6.941 > 3 9 Er 0.00000000000000 0.39717201775085 0.75000000000000 167.259 > 9 10 Er 0.00000000000000 0.89717201775085 0.75000000000000 167.259 > 9 11 Er 0.00000000000000 0.10282798224915 0.25000000000000 167.259 > 11 12 Er 0.00000000000000 0.60282798224915 0.25000000000000 167.259 > 11 13 Er 0.50000000000000 0.14717201775085 0.75000000000000 167.259 > 9 14 Er 0.50000000000000 0.64717201775085 0.75000000000000 167.259 > 9 15 Er 0.50000000000000 0.35282798224915 0.25000000000000 167.259 > 11 16 Er 0.50000000000000 0.85282798224915 0.25000000000000 167.259 > 11 17 P 0.64465466151439 0.17728325254462 0.19246071898539 30.974 > 17 18 P 0.64465466151439 0.67728325254462 0.19246071898539 30.974 > 17 19 P 0.36376919417654 0.02466151210716 0.88424389945383 30.974 > 19 20 P 0.36376919417654 0.52466151210717 0.88424389945383 30.974 > 19 21 P 0.85534533848561 0.42728325254462 0.30753928101460 30.974 > 21 22 P 0.85534533848561 0.92728325254462 0.30753928101460 30.974 > 21 23 P 0.63623080582346 0.47533848789284 0.11575610054617 30.974 > 23 24 P 0.63623080582346 0.97533848789284 0.11575610054617 30.974 > 23 25 P 0.35534533848561 0.32271674745538 0.80753928101460 30.974 > 25 26 P 0.35534533848561 0.82271674745538 0.80753928101460 30.974 > 25 27 P 0.86376919417654 0.22533848789284 0.38424389945383 30.974 > 27 28 P 0.86376919417654 0.72533848789284 0.38424389945383 30.974 > 27 29 P 0.13623080582346 0.27466151210716 0.61575610054617 30.974 > 29 30 P 0.13623080582346 0.77466151210716 0.61575610054617 30.974 > 29 31 P 0.14465466151439 0.07271674745538 0.69246071898540 30.974 > 31 32 P 0.14465466151439 0.57271674745538 0.69246071898540 30.974 > 31 33 P 0.14465466151439 0.42728325254462 0.19246071898539 30.974 > 17 34 P 0.14465466151439 0.92728325254462 0.19246071898539 30.974 > 17 35 P 0.86376919417654 0.27466151210716 0.88424389945383 30.974 > 19 36 P 0.86376919417654 0.77466151210716 0.88424389945383 30.974 > 19 37 P 0.35534533848561 0.17728325254462 0.30753928101460 30.974 > 21 38 P 0.35534533848561 0.67728325254462 0.30753928101460 30.974 > 21 39 P 0.13623080582346 0.22533848789284 0.11575610054617 30.974 > 23 40 P 0.13623080582346 0.72533848789284 0.11575610054617 30.974 > 23 41 P 0.85534533848561 0.07271674745538 0.80753928101460 30.974 > 25 42 P 0.85534533848561 0.57271674745538 0.80753928101460 30.974 > 25 43 P 0.36376919417654 0.47533848789284 0.38424389945383 30.974 > 27 44 P 0.36376919417654 0.97533848789284 0.38424389945383 30.974 > 27 45 P 0.63623080582346 0.02466151210716 0.61575610054617 30.974 > 29 46 P 0.63623080582346 0.52466151210717 0.61575610054617 30.974 > 29 47 P 0.64465466151439 0.32271674745538 0.69246071898540 30.974 > 31 48 P 0.64465466151439 0.82271674745538 0.69246071898540 30.974 > 31 49 O 0.93174045385195 0.46168566104093 0.27814680196739 15.999 > 49 50 O 0.93174045385195 0.96168566104093 0.27814680196739 15.999 > 49 51 O 0.93602196167716 0.25019688649060 0.07444694063308 15.999 > 51 52 O 0.93602196167716 0.75019688649060 0.07444694063308 15.999 > 51 53 O 0.75466392824959 0.21329401962922 0.34987450565063 15.999 > 53 54 O 0.75466392824959 0.71329401962922 0.34987450565063 15.999 > 53 55 O 0.06397803832284 0.24980311350940 0.92555305936692 15.999 > 55 56 O 0.06397803832284 0.74980311350940 0.92555305936692 15.999 > 55 57 O 0.11178376398515 0.35772546366468 0.68425210660689 15.999 > 57 58 O 0.11178376398515 0.85772546366468 0.68425210660689 15.999 > 57 59 O 0.12660111386744 0.05814035719586 0.52092364587472 15.999 > 59 60 O 0.12660111386744 0.55814035719586 0.52092364587472 15.999 > 59 61 O 0.06397803832284 0.25019688649060 0.42555305936692 15.999 > 61 62 O 0.06397803832284 0.75019688649060 0.42555305936692 15.999 > 61 63 O 0.74533607175041 0.46329401962922 0.15012549434937 15.999 > 63 64 O 0.74533607175041 0.96329401962922 0.15012549434937 15.999 > 63 65 O 0.62660111386744 0.19185964280414 0.02092364587472 15.999 > 65 66 O 0.62660111386744 0.69185964280414 0.02092364587472 15.999 > 65 67 O 0.15449406728028 0.18536977421277 0.73519677624676 15.999 > 67 68 O 0.15449406728028 0.68536977421277 0.73519677624676 15.999 > 67 69 O 0.84550593271972 0.31463022578723 0.26480322375324 15.999 > 69 70 O 0.84550593271972 0.81463022578723 0.26480322375324 15.999 > 69 71 O 0.93174045385195 0.03831433895907 0.77814680196739 15.999 > 71 72 O 0.93174045385195 0.53831433895907 0.77814680196739 15.999 > 71 73 O 0.25466392824959 0.03670598037078 0.84987450565062 15.999 > 73 74 O 0.25466392824959 0.53670598037078 0.84987450565062 15.999 > 73 75 O 0.34550593271972 0.43536977421277 0.76480322375324 15.999 > 75 76 O 0.34550593271972 0.93536977421277 0.76480322375324 15.999 > 75 77 O 0.87339888613256 0.44185964280414 0.47907635412528 15.999 > 77 78 O 0.87339888613256 0.94185964280414 0.47907635412528 15.999 > 77 79 O 0.93602196167716 0.24980311350940 0.57444694063308 15.999 > 79 80 O 0.93602196167716 0.74980311350940 0.57444694063308 15.999 > 79 81 O 0.65449406728028 0.06463022578723 0.23519677624676 15.999 > 81 82 O 0.65449406728028 0.56463022578723 0.23519677624676 15.999 > 81 83 O 0.24533607175041 0.28670598037078 0.65012549434938 15.999 > 83 84 O 0.24533607175041 0.78670598037078 0.65012549434938 15.999 > 83 85 O 0.88821623601485 0.14227453633532 0.31574789339311 15.999 > 85 86 O 0.88821623601485 0.64227453633532 0.31574789339311 15.999 > 85 87 O 0.06825954614805 0.03831433895907 0.72185319803261 15.999 > 87 88 O 0.06825954614805 0.53831433895907 0.72185319803261 15.999 > 87 89 O 0.37339888613256 0.30814035719586 0.97907635412528 15.999 > 89 90 O 0.37339888613256 0.80814035719586 0.97907635412528 15.999 > 89 91 O 0.06825954614805 0.46168566104093 0.22185319803261 15.999 > 91 92 O 0.06825954614805 0.96168566104093 0.22185319803261 15.999 > 91 93 O 0.61178376398515 0.39227453633532 0.18425210660689 15.999 > 93 94 O 0.61178376398515 0.89227453633532 0.18425210660689 15.999 > 93 95 O 0.38821623601485 0.10772546366468 0.81574789339311 15.999 > 95 96 O 0.38821623601485 0.60772546366468 0.81574789339311 15.999 > 95 97 O 0.43174045385195 0.21168566104093 0.27814680196739 15.999 > 49 98 O 0.43174045385195 0.71168566104093 0.27814680196739 15.999 > 49 99 O 0.43602196167716 0.00019688649060 0.07444694063308 15.999 > 51 100 O 0.43602196167716 0.50019688649060 0.07444694063308 15.999 > 51 101 O 0.25466392824959 0.46329401962922 0.34987450565063 15.999 > 53 102 O 0.25466392824959 0.96329401962922 0.34987450565063 15.999 > 53 103 O 0.56397803832284 0.49980311350940 0.92555305936692 15.999 > 55 104 O 0.56397803832284 0.99980311350940 0.92555305936692 15.999 > 55 105 O 0.61178376398515 0.10772546366468 0.68425210660689 15.999 > 57 106 O 0.61178376398515 0.60772546366468 0.68425210660689 15.999 > 57 107 O 0.62660111386744 0.30814035719586 0.52092364587472 15.999 > 59 108 O 0.62660111386744 0.80814035719586 0.52092364587472 15.999 > 59 109 O 0.56397803832284 0.00019688649060 0.42555305936692 15.999 > 61 110 O 0.56397803832284 0.50019688649060 0.42555305936692 15.999 > 61 111 O 0.24533607175041 0.21329401962922 0.15012549434937 15.999 > 63 112 O 0.24533607175041 0.71329401962922 0.15012549434937 15.999 > 63 113 O 0.12660111386744 0.44185964280414 0.02092364587472 15.999 > 65 114 O 0.12660111386744 0.94185964280414 0.02092364587472 15.999 > 65 115 O 0.65449406728028 0.43536977421277 0.73519677624676 15.999 > 67 116 O 0.65449406728028 0.93536977421277 0.73519677624676 15.999 > 67 117 O 0.34550593271972 0.06463022578723 0.26480322375324 15.999 > 69 118 O 0.34550593271972 0.56463022578723 0.26480322375324 15.999 > 69 119 O 0.43174045385195 0.28831433895907 0.77814680196739 15.999 > 71 120 O 0.43174045385195 0.78831433895907 0.77814680196739 15.999 > 71 121 O 0.75466392824959 0.28670598037078 0.84987450565062 15.999 > 73 122 O 0.75466392824959 0.78670598037078 0.84987450565062 15.999 > 73 123 O 0.84550593271972 0.18536977421277 0.76480322375324 15.999 > 75 124 O 0.84550593271972 0.68536977421277 0.76480322375324 15.999 > 75 125 O 0.37339888613256 0.19185964280414 0.47907635412528 15.999 > 77 126 O 0.37339888613256 0.69185964280414 0.47907635412528 15.999 > 77 127 O 0.43602196167716 0.49980311350940 0.57444694063308 15.999 > 79 128 O 0.43602196167716 0.99980311350940 0.57444694063308 15.999 > 79 129 O 0.15449406728028 0.31463022578723 0.23519677624676 15.999 > 81 130 O 0.15449406728028 0.81463022578723 0.23519677624676 15.999 > 81 131 O 0.74533607175041 0.03670598037078 0.65012549434938 15.999 > 83 132 O 0.74533607175041 0.53670598037078 0.65012549434938 15.999 > 83 133 O 0.38821623601485 0.39227453633532 0.31574789339311 15.999 > 85 134 O 0.38821623601485 0.89227453633532 0.31574789339311 15.999 > 85 135 O 0.56825954614805 0.28831433895907 0.72185319803261 15.999 > 87 136 O 0.56825954614805 0.78831433895907 0.72185319803261 15.999 > 87 137 O 0.87339888613256 0.05814035719586 0.97907635412528 15.999 > 89 138 O 0.87339888613256 0.55814035719586 0.97907635412528 15.999 > 89 139 O 0.56825954614805 0.21168566104093 0.22185319803261 15.999 > 91 140 O 0.56825954614805 0.71168566104093 0.22185319803261 15.999 > 91 141 O 0.11178376398515 0.14227453633532 0.18425210660689 15.999 > 93 142 O 0.11178376398515 0.64227453633532 0.18425210660689 15.999 > 93 143 O 0.88821623601485 0.35772546366468 0.81574789339311 15.999 > 95 144 O 0.88821623601485 0.85772546366468 0.81574789339311 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7871646 0.0000000 0.0373144 0.0000000 2.7688424 0.0000000 0.0373110 0.0000000 2.7406084 -------------------------- Born effective charges -------------------------- 1 Li 1.1631091 -0.0000000 -0.1062602 0.0000000 1.0943421 0.0000000 -0.1293846 0.0000000 1.0661568 2 Li 1.1631091 -0.0000000 -0.1062602 0.0000000 1.0943421 0.0000000 -0.1293846 0.0000000 1.0661568 3 Er 3.9662722 -0.0000000 -0.4519644 0.0000000 3.8637832 0.0000000 -0.2339621 0.0000000 4.4010849 4 Er 3.9662722 -0.0000000 -0.4519644 0.0000000 3.8637832 0.0000000 -0.2339621 0.0000000 4.4010849 5 P 3.5970837 0.0923256 0.7473815 -0.1776993 3.8060742 0.2708641 -0.0498331 0.2810871 3.4011478 6 P 3.7539571 0.2815003 0.1477962 -0.4011839 3.6510169 0.1482025 0.7857154 -0.2866613 3.2476137 7 P 3.5970837 -0.0923256 0.7473815 0.1776993 3.8060742 -0.2708641 -0.0498331 -0.2810871 3.4011478 8 P 3.7539571 0.2815003 0.1477962 -0.4011839 3.6510169 0.1482025 0.7857154 -0.2866613 3.2476137 9 P 3.5970837 0.0923256 0.7473815 -0.1776993 3.8060742 0.2708641 -0.0498331 0.2810871 3.4011478 10 P 3.7539571 -0.2815003 0.1477962 0.4011839 3.6510169 -0.1482025 0.7857154 0.2866613 3.2476137 11 P 3.7539571 -0.2815003 0.1477962 0.4011839 3.6510169 -0.1482025 0.7857154 0.2866613 3.2476137 12 P 3.5970837 -0.0923256 0.7473815 0.1776993 3.8060742 -0.2708641 -0.0498331 -0.2810871 3.4011478 13 O -2.1024019 -0.4842057 0.1816592 -0.5966020 -1.7004539 0.1426350 0.2532426 0.1248484 -1.0209372 14 O -1.1001697 0.0013764 -0.1205074 0.0383164 -1.4048063 0.2768151 -0.1254152 0.4140247 -2.1250926 15 O -2.6291573 -0.3641616 -1.0440641 -0.6333169 -1.0881430 -0.4370075 -1.0394248 -0.3388573 -1.5905871 16 O -1.1001697 0.0013764 -0.1205074 0.0383164 -1.4048063 0.2768151 -0.1254152 0.4140247 -2.1250926 17 O -1.9883375 0.6229604 0.3066502 0.5525589 -1.6599173 -0.3307001 0.1536238 -0.2884518 -1.0960560 18 O -1.0842393 0.0484336 0.0016397 0.0340447 -1.1140072 0.1364585 0.1541452 0.1551225 -2.4388567 19 O -1.1001697 -0.0013764 -0.1205074 -0.0383164 -1.4048063 -0.2768151 -0.1254152 -0.4140247 -2.1250926 20 O -2.6291573 0.3641616 -1.0440641 0.6333169 -1.0881430 0.4370075 -1.0394248 0.3388573 -1.5905871 21 O -1.0842393 -0.0484336 0.0016397 -0.0340447 -1.1140072 -0.1364585 0.1541452 -0.1551225 -2.4388567 22 O -1.0114258 -0.1130392 0.0585571 -0.2291938 -2.9688261 0.3885278 0.0496194 0.2631523 -1.1108528 23 O -1.0114258 -0.1130392 0.0585571 -0.2291938 -2.9688261 0.3885278 0.0496194 0.2631523 -1.1108528 24 O -2.1024019 0.4842057 0.1816592 0.5966020 -1.7004539 -0.1426350 0.2532426 -0.1248484 -1.0209372 25 O -2.6291573 0.3641616 -1.0440641 0.6333169 -1.0881430 0.4370075 -1.0394248 0.3388573 -1.5905871 26 O -1.0114258 0.1130392 0.0585571 0.2291938 -2.9688261 -0.3885278 0.0496194 -0.2631523 -1.1108528 27 O -1.0842393 0.0484336 0.0016397 0.0340447 -1.1140072 0.1364585 0.1541452 0.1551225 -2.4388567 28 O -1.1001697 -0.0013764 -0.1205074 -0.0383164 -1.4048063 -0.2768151 -0.1254152 -0.4140247 -2.1250926 29 O -1.0114258 0.1130392 0.0585571 0.2291938 -2.9688261 -0.3885278 0.0496194 -0.2631523 -1.1108528 30 O -2.6291573 -0.3641616 -1.0440641 -0.6333169 -1.0881430 -0.4370075 -1.0394248 -0.3388573 -1.5905871 31 O -1.9883375 0.6229604 0.3066502 0.5525589 -1.6599173 -0.3307001 0.1536238 -0.2884518 -1.0960560 32 O -2.1024019 -0.4842057 0.1816592 -0.5966020 -1.7004539 0.1426350 0.2532426 0.1248484 -1.0209372 33 O -1.0842393 -0.0484336 0.0016397 -0.0340447 -1.1140072 -0.1364585 0.1541452 -0.1551225 -2.4388567 34 O -2.1024019 0.4842057 0.1816592 0.5966020 -1.7004539 -0.1426350 0.2532426 -0.1248484 -1.0209372 35 O -1.9883375 -0.6229604 0.3066502 -0.5525589 -1.6599173 0.3307001 0.1536238 0.2884518 -1.0960560 36 O -1.9883375 -0.6229604 0.3066502 -0.5525589 -1.6599173 0.3307001 0.1536238 0.2884518 -1.0960560 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.55, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 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 2.061 ( 0.000 0.000 0.000) 0.000 2.281 ( 0.000 0.000 0.000) 0.000 2.772 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.635 ( 0.000 0.000 0.000) 0.000 3.643 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.941 ( 0.000 0.000 0.000) 0.000 3.952 ( 0.000 0.000 0.000) 0.000 4.318 ( 0.000 0.000 0.000) 0.000 4.331 ( 0.000 0.000 0.000) 0.000 4.449 ( 0.000 0.000 0.000) 0.000 4.757 ( 0.000 0.000 0.000) 0.000 4.795 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.144 ( 0.000 0.000 0.000) 0.000 5.465 ( 0.000 0.000 0.000) 0.000 5.505 ( 0.000 0.000 0.000) 0.000 5.812 ( 0.000 0.000 0.000) 0.000 5.903 ( 0.000 0.000 0.000) 0.000 5.945 ( 0.000 0.000 0.000) 0.000 5.988 ( 0.000 0.000 0.000) 0.000 6.392 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 7.626 ( 0.000 0.000 0.000) 0.000 8.096 ( 0.000 0.000 0.000) 0.000 8.365 ( 0.000 0.000 0.000) 0.000 8.424 ( 0.000 0.000 0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 8.967 ( 0.000 0.000 0.000) 0.000 9.133 ( 0.000 0.000 0.000) 0.000 9.202 ( 0.000 0.000 0.000) 0.000 9.393 ( 0.000 0.000 0.000) 0.000 9.702 ( 0.000 0.000 0.000) 0.000 9.773 ( 0.000 0.000 0.000) 0.000 9.799 ( 0.000 0.000 0.000) 0.000 9.989 ( 0.000 0.000 0.000) 0.000 10.356 ( 0.000 0.000 0.000) 0.000 10.392 ( 0.000 0.000 0.000) 0.000 11.192 ( 0.000 0.000 0.000) 0.000 11.197 ( 0.000 0.000 0.000) 0.000 11.210 ( 0.000 0.000 0.000) 0.000 11.267 ( 0.000 0.000 0.000) 0.000 11.469 ( 0.000 0.000 0.000) 0.000 11.648 ( 0.000 0.000 0.000) 0.000 11.690 ( 0.000 0.000 0.000) 0.000 12.099 ( 0.000 0.000 0.000) 0.000 12.293 ( 0.000 0.000 0.000) 0.000 12.450 ( 0.000 0.000 0.000) 0.000 12.544 ( 0.000 0.000 0.000) 0.000 12.928 ( 0.000 0.000 0.000) 0.000 13.080 ( 0.000 0.000 0.000) 0.000 13.093 ( 0.000 0.000 0.000) 0.000 13.438 ( 0.000 0.000 0.000) 0.000 13.731 ( 0.000 0.000 0.000) 0.000 13.738 ( 0.000 0.000 0.000) 0.000 14.287 ( 0.000 0.000 0.000) 0.000 14.577 ( 0.000 0.000 0.000) 0.000 14.597 ( 0.000 0.000 0.000) 0.000 14.712 ( 0.000 0.000 0.000) 0.000 15.106 ( 0.000 0.000 0.000) 0.000 15.158 ( 0.000 0.000 0.000) 0.000 15.563 ( 0.000 0.000 0.000) 0.000 16.275 ( 0.000 0.000 0.000) 0.000 16.646 ( 0.000 0.000 0.000) 0.000 16.763 ( 0.000 0.000 0.000) 0.000 16.961 ( 0.000 0.000 0.000) 0.000 17.171 ( 0.000 0.000 0.000) 0.000 17.171 ( 0.000 0.000 0.000) 0.000 17.276 ( 0.000 0.000 0.000) 0.000 19.731 ( 0.000 0.000 0.000) 0.000 20.192 ( 0.000 0.000 0.000) 0.000 20.861 ( 0.000 0.000 0.000) 0.000 20.968 ( 0.000 0.000 0.000) 0.000 21.921 ( 0.000 0.000 0.000) 0.000 22.350 ( 0.000 0.000 0.000) 0.000 23.199 ( 0.000 0.000 0.000) 0.000 23.553 ( 0.000 0.000 0.000) 0.000 26.968 ( 0.000 0.000 0.000) 0.000 26.976 ( 0.000 0.000 0.000) 0.000 29.286 ( 0.000 0.000 0.000) 0.000 29.406 ( 0.000 0.000 0.000) 0.000 30.384 ( 0.000 0.000 0.000) 0.000 30.806 ( 0.000 0.000 0.000) 0.000 30.921 ( 0.000 0.000 0.000) 0.000 30.973 ( 0.000 0.000 0.000) 0.000 31.514 ( 0.000 0.000 0.000) 0.000 31.767 ( 0.000 0.000 0.000) 0.000 31.909 ( 0.000 0.000 0.000) 0.000 32.049 ( 0.000 0.000 0.000) 0.000 32.505 ( 0.000 0.000 0.000) 0.000 32.703 ( 0.000 0.000 0.000) 0.000 33.637 ( 0.000 0.000 0.000) 0.000 34.164 ( 0.000 0.000 0.000) 0.000 35.324 ( 0.000 0.000 0.000) 0.000 35.433 ( 0.000 0.000 0.000) 0.000 35.545 ( 0.000 0.000 0.000) 0.000 36.162 ( 0.000 0.000 0.000) 0.000 36.168 ( 0.000 0.000 0.000) 0.000 36.242 ( 0.000 0.000 0.000) 0.000 36.553 ( 0.000 0.000 0.000) 0.000 38.491 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( 13.389 -21.251 14.403) 28.954 0.724 ( 24.222 -22.976 20.766) 39.317 1.113 ( 17.575 -50.103 4.662) 53.300 2.165 ( 5.851 -4.287 7.720) 10.593 2.425 ( 3.093 -14.804 -1.902) 15.243 2.718 ( -0.196 5.762 0.975) 5.847 2.772 ( 0.785 11.221 1.202) 11.312 3.161 ( -0.363 10.030 -1.012) 10.087 3.534 ( -0.887 0.230 0.788) 1.209 3.574 ( -3.009 0.950 0.476) 3.191 3.642 ( 4.538 1.268 -0.979) 4.813 3.824 ( -7.174 -2.049 -10.345) 12.755 3.945 ( -4.100 0.947 2.582) 4.937 4.014 ( -5.095 -3.329 5.033) 7.898 4.305 ( -3.454 5.017 -5.819) 8.424 4.453 ( -5.924 -5.155 1.296) 7.959 4.565 ( -6.641 -5.728 -1.326) 8.870 4.833 ( 8.407 2.187 -4.065) 9.591 4.943 ( 4.811 -11.834 4.684) 13.606 5.090 ( -3.402 -4.454 -6.440) 8.537 5.281 ( 3.288 -3.570 5.240) 7.142 5.406 ( -5.604 1.030 -4.531) 7.280 5.533 ( 2.037 -2.275 0.563) 3.105 5.661 ( -8.772 6.065 -4.650) 11.634 5.880 ( 0.689 4.038 3.156) 5.171 5.954 ( 1.577 2.806 -1.863) 3.719 6.011 ( 7.017 3.367 0.318) 7.790 6.425 ( 1.565 -2.317 0.989) 2.966 6.598 ( -0.612 4.251 -1.509) 4.552 6.752 ( -3.117 -1.624 -5.045) 6.149 7.672 ( 5.777 -0.059 7.775) 9.686 8.041 ( -8.119 2.951 -4.510) 9.745 8.266 ( 2.237 8.611 5.719) 10.576 8.491 ( -1.944 -2.383 1.902) 3.616 8.856 ( 12.946 2.629 1.028) 13.250 9.015 ( 1.981 -2.739 0.342) 3.398 9.164 ( 0.197 -1.986 0.516) 2.061 9.249 ( 1.827 -2.879 0.766) 3.495 9.417 ( 3.054 0.079 1.158) 3.267 9.675 ( -0.146 -0.031 -4.346) 4.349 9.792 ( 1.121 2.158 -4.902) 5.471 9.915 ( 5.901 2.356 12.761) 14.255 10.039 ( 2.491 -2.262 4.513) 5.629 10.332 ( -5.117 3.493 1.642) 6.409 10.401 ( 3.694 0.931 2.165) 4.382 11.012 ( -1.065 10.512 -3.778) 11.221 11.140 ( -2.800 2.480 -4.623) 5.946 11.208 ( 1.009 2.530 2.300) 3.565 11.384 ( -3.766 -1.834 -3.750) 5.622 11.484 ( 9.684 1.451 2.339) 10.068 11.622 ( 2.083 3.563 0.762) 4.197 11.710 ( 2.493 -1.574 -1.161) 3.169 12.079 ( -4.430 -2.352 -0.025) 5.015 12.329 ( 6.497 3.472 4.518) 8.641 12.520 ( 0.310 3.037 0.777) 3.150 12.660 ( 1.454 -3.950 1.646) 4.520 12.882 ( -0.632 4.356 0.513) 4.432 13.105 ( 1.921 4.720 -0.098) 5.096 13.106 ( -1.079 -2.239 1.810) 3.075 13.505 ( 0.013 -1.714 0.655) 1.835 13.604 ( -0.930 5.902 -1.836) 6.251 13.819 ( -3.793 -6.734 -4.125) 8.761 14.281 ( 13.432 10.484 7.007) 18.423 14.557 ( -0.115 0.007 -0.075) 0.138 14.706 ( 0.297 -8.999 0.674) 9.030 15.170 ( -4.077 -6.890 -3.009) 8.553 15.287 ( 5.480 -10.819 2.692) 12.423 15.572 ( -7.084 -9.335 -3.660) 12.276 16.063 ( -7.136 7.926 -0.517) 10.678 16.225 ( 6.027 9.411 -1.663) 11.298 16.697 ( -1.051 6.472 -0.855) 6.612 16.977 ( -1.607 -3.503 -1.727) 4.224 17.210 ( -1.979 -3.996 -4.429) 6.285 17.220 ( -3.657 -3.868 1.523) 5.537 17.252 ( -0.872 -2.901 -3.545) 4.663 17.490 ( -18.170 -11.102 -10.791) 23.871 19.785 ( 0.530 -3.290 2.656) 4.261 20.228 ( -2.423 -4.894 -0.174) 5.463 20.762 ( -0.023 9.023 1.253) 9.110 20.972 ( 0.292 1.993 -0.158) 2.021 21.990 ( 6.000 -5.209 -3.754) 8.787 22.430 ( 0.747 -7.896 0.302) 7.937 23.142 ( -2.907 4.118 -2.149) 5.479 23.568 ( -2.501 4.012 -2.217) 5.221 27.053 ( 0.016 -9.422 0.008) 9.422 28.154 ( -62.998 -45.789 -51.011) 93.100 29.203 ( 0.986 13.360 5.873) 14.627 29.316 ( 0.888 11.059 0.633) 11.113 30.815 ( 9.453 6.242 14.047) 18.046 30.880 ( 1.429 -5.170 -3.552) 6.433 30.990 ( -0.946 -2.521 -0.006) 2.693 31.162 ( 24.214 8.238 15.057) 29.680 31.796 ( -5.549 0.912 -2.383) 6.107 31.818 ( 6.493 3.374 -0.621) 7.344 31.958 ( 0.044 9.306 1.963) 9.511 32.370 ( 6.741 -8.362 -8.423) 13.649 32.805 ( 2.447 -8.956 -0.028) 9.285 33.002 ( 41.425 34.241 60.113) 80.635 33.613 ( -1.189 2.936 -0.509) 3.209 34.124 ( 0.277 4.176 -1.206) 4.355 35.332 ( -0.002 -0.782 0.540) 0.950 35.445 ( -0.151 -1.342 -0.143) 1.358 35.554 ( -0.872 -0.966 1.025) 1.657 36.161 ( -4.219 0.213 4.263) 6.002 36.244 ( 4.444 0.361 -4.575) 6.388 36.520 ( -2.357 2.047 -1.556) 3.489 37.140 ( -14.841 -17.953 -20.141) 30.793 38.464 ( 3.755 6.485 1.805) 7.708 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( 12.363 -21.973 14.604) 29.136 1.414 ( 20.315 -21.718 19.579) 35.605 1.987 ( 6.034 -29.058 -2.032) 29.747 2.312 ( 6.148 -5.611 5.712) 10.095 2.583 ( -7.473 -0.559 4.436) 8.708 2.733 ( 5.589 -6.181 6.466) 10.548 2.869 ( 7.879 -18.260 2.422) 20.035 3.011 ( 5.207 4.540 0.874) 6.963 3.481 ( 1.040 5.096 -1.999) 5.571 3.589 ( 3.364 -0.056 -0.314) 3.379 3.665 ( 3.800 -1.914 -2.660) 5.018 3.727 ( -4.035 1.305 -8.440) 9.446 3.860 ( -4.564 5.008 -1.078) 6.861 3.992 ( -7.744 3.220 1.369) 8.497 4.190 ( -1.849 2.304 -1.966) 3.549 4.418 ( -5.218 1.317 -4.340) 6.913 4.589 ( -7.394 -0.588 -1.654) 7.599 4.811 ( 1.422 0.798 2.749) 3.196 5.008 ( -5.562 4.462 -4.640) 8.508 5.142 ( -1.017 -2.455 -1.745) 3.179 5.343 ( -2.563 -1.984 -1.245) 3.472 5.458 ( -0.830 -5.100 -1.756) 5.457 5.505 ( -2.196 -3.772 0.467) 4.390 5.693 ( 8.377 -4.011 2.143) 9.532 5.809 ( -2.477 0.919 0.710) 2.736 5.863 ( 2.939 9.433 0.276) 9.884 5.968 ( 2.589 5.254 3.150) 6.651 6.473 ( -0.863 5.142 -3.492) 6.275 6.496 ( -0.214 -1.995 0.694) 2.123 6.708 ( -4.186 -0.704 -7.976) 9.035 7.776 ( 4.752 -0.138 7.380) 8.779 7.912 ( -1.726 2.485 -0.567) 3.078 8.189 ( -0.056 3.217 1.970) 3.772 8.511 ( -1.591 -0.952 1.713) 2.525 8.906 ( 2.149 0.105 -1.222) 2.475 9.087 ( 6.122 -0.503 0.891) 6.207 9.185 ( -0.697 1.166 0.903) 1.631 9.333 ( 3.814 -5.885 3.630) 7.897 9.445 ( 3.147 0.137 0.427) 3.178 9.640 ( -0.768 2.493 -5.778) 6.339 9.789 ( -0.343 -2.667 0.543) 2.743 9.946 ( -2.681 -3.148 3.077) 5.155 10.128 ( -1.758 5.536 0.245) 5.813 10.228 ( 4.197 -0.019 2.358) 4.814 10.440 ( 3.285 0.010 3.184) 4.575 10.810 ( -1.346 9.306 -1.478) 9.519 11.012 ( -2.905 5.453 -3.760) 7.232 11.185 ( -0.535 0.735 3.804) 3.911 11.355 ( -2.574 -0.772 -2.571) 3.719 11.524 ( 9.703 5.821 2.487) 11.585 11.596 ( 2.156 0.020 0.833) 2.311 11.771 ( 2.180 -4.812 -3.519) 6.347 12.169 ( -3.883 -10.238 0.321) 10.954 12.331 ( 4.664 3.269 2.784) 6.340 12.447 ( 0.089 5.767 1.670) 6.005 12.697 ( -3.311 0.984 -2.293) 4.146 12.798 ( 1.626 5.842 2.026) 6.393 12.950 ( -4.413 7.536 -8.711) 12.335 13.143 ( -0.041 0.052 5.034) 5.035 13.512 ( 1.587 -1.253 -0.269) 2.040 13.585 ( 1.052 -2.139 0.544) 2.444 13.875 ( -3.851 -5.888 -6.050) 9.279 14.272 ( 12.921 7.420 8.866) 17.339 14.592 ( 0.174 -3.546 1.126) 3.725 14.888 ( 2.113 -8.879 1.070) 9.189 15.257 ( -5.671 -8.682 -4.358) 11.248 15.469 ( -3.217 -3.619 -3.731) 6.113 15.702 ( -2.766 -9.710 0.619) 10.115 15.922 ( 0.196 3.663 1.866) 4.116 16.072 ( 3.766 6.588 0.031) 7.589 16.538 ( -0.885 8.759 -1.410) 8.915 17.035 ( -2.520 -5.910 -3.463) 7.298 17.120 ( -10.894 0.581 -6.891) 12.903 17.286 ( 0.295 -4.010 -3.671) 5.444 17.353 ( 3.330 -3.575 3.062) 5.766 17.476 ( -5.398 -0.739 1.489) 5.649 19.892 ( 0.872 -5.650 4.130) 7.053 20.318 ( -3.794 -7.849 -0.478) 8.731 20.591 ( 0.345 10.690 1.162) 10.758 20.885 ( 0.208 7.436 0.267) 7.443 22.160 ( 4.570 -10.589 -2.587) 11.820 22.617 ( 0.747 -11.523 0.399) 11.554 22.999 ( -3.662 6.917 -2.883) 8.341 23.431 ( -1.025 8.356 -0.981) 8.475 27.296 ( 0.513 -17.023 0.755) 17.047 28.214 ( -28.452 -23.970 -23.680) 44.101 28.961 ( 2.674 18.144 2.797) 18.552 29.053 ( 0.666 18.282 2.726) 18.496 30.868 ( 1.395 -1.844 2.826) 3.651 30.974 ( -3.567 -7.385 -2.042) 8.452 31.052 ( -1.852 -5.928 -0.830) 6.266 31.304 ( 9.431 -2.136 5.687) 11.218 31.637 ( -2.923 6.994 -1.677) 7.764 31.777 ( 0.983 10.737 0.936) 10.822 31.908 ( 5.532 -2.683 0.948) 6.221 32.532 ( 7.974 -5.644 -0.282) 9.773 33.009 ( 8.168 -5.118 6.437) 11.591 33.071 ( 10.253 4.655 20.313) 23.225 33.524 ( -2.459 4.629 -1.175) 5.371 34.009 ( 0.318 7.755 -2.352) 8.110 35.355 ( 0.070 -1.224 0.843) 1.487 35.474 ( 0.299 -2.045 -0.962) 2.280 35.575 ( -1.191 -1.436 1.416) 2.342 36.149 ( -4.579 -0.040 5.072) 6.833 36.245 ( 5.017 0.534 -5.165) 7.220 36.436 ( -3.480 3.176 -2.445) 5.309 37.267 ( -9.525 -15.737 -9.237) 20.584 38.351 ( 6.356 11.873 3.228) 13.849 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 10.010 -20.583 13.582) 26.614 1.994 ( 14.042 -15.411 15.528) 25.996 2.205 ( -0.913 -6.390 -5.025) 8.181 2.534 ( 0.592 -4.344 5.644) 7.147 2.634 ( -5.176 -6.848 -2.336) 8.896 2.792 ( -3.305 -1.019 5.480) 6.480 3.197 ( 12.592 -10.766 1.221) 16.612 3.318 ( 2.859 -11.348 5.321) 12.855 3.342 ( 3.960 8.682 -4.195) 10.424 3.542 ( -1.751 0.666 1.278) 2.268 3.642 ( -2.765 5.203 -1.518) 6.084 3.759 ( 1.679 1.622 -0.193) 2.343 3.776 ( 8.265 -5.460 -6.731) 11.976 3.866 ( -0.379 0.471 -7.193) 7.219 4.099 ( -8.239 3.534 -0.124) 8.966 4.367 ( -4.504 -0.556 1.572) 4.803 4.450 ( -4.157 5.260 -2.400) 7.121 4.844 ( -2.173 2.186 -0.865) 3.201 4.905 ( -3.909 -4.029 -0.800) 5.670 5.096 ( 5.965 3.160 -2.493) 7.196 5.306 ( -0.566 3.423 -0.307) 3.483 5.475 ( -8.053 1.514 -6.356) 10.370 5.556 ( -4.522 1.213 -0.435) 4.702 5.661 ( 1.626 4.592 2.733) 5.586 5.775 ( 5.377 -0.876 2.936) 6.189 5.915 ( -3.885 -1.440 2.158) 4.672 5.969 ( 8.965 -1.563 6.470) 11.166 6.326 ( -1.810 5.380 -4.421) 7.195 6.521 ( -6.484 -1.316 -2.254) 6.990 6.652 ( 0.300 -0.533 -5.154) 5.190 7.800 ( 0.556 -0.398 1.738) 1.868 7.961 ( 6.449 0.350 8.802) 10.917 8.166 ( -0.639 -0.147 -0.720) 0.973 8.484 ( -5.387 1.072 -5.244) 7.594 8.915 ( -0.993 -3.171 1.041) 3.482 9.128 ( 4.153 0.589 0.575) 4.233 9.149 ( -1.227 2.963 1.897) 3.726 9.444 ( 0.542 1.639 0.461) 1.787 9.517 ( 10.808 -3.485 2.498) 11.627 9.585 ( -4.102 -4.028 -5.671) 8.075 9.793 ( -5.042 0.744 4.223) 6.619 9.897 ( -2.588 12.421 -0.020) 12.688 10.089 ( 4.604 -9.488 -0.324) 10.552 10.329 ( 3.631 -2.361 0.013) 4.331 10.448 ( -1.133 2.283 -0.828) 2.679 10.661 ( 0.273 5.802 0.951) 5.886 10.902 ( -0.430 3.354 -1.448) 3.678 11.228 ( -0.120 -2.366 5.220) 5.732 11.334 ( -1.749 0.034 -1.126) 2.080 11.494 ( 5.553 3.991 0.351) 6.847 11.643 ( 3.369 -0.613 2.513) 4.247 11.880 ( 3.150 -6.699 -4.310) 8.566 12.266 ( -2.222 -0.082 1.969) 2.970 12.308 ( 1.976 4.266 0.037) 4.702 12.431 ( -3.984 -8.467 0.684) 9.382 12.567 ( -6.439 4.189 -3.989) 8.655 12.690 ( 1.284 9.520 -0.603) 9.625 12.757 ( -1.218 5.513 -3.109) 6.445 13.167 ( 1.363 0.439 2.660) 3.021 13.532 ( -1.500 -0.517 -1.061) 1.909 13.704 ( 5.545 -6.044 1.622) 8.361 13.909 ( -0.981 -4.190 -4.516) 6.238 14.280 ( 7.142 6.220 7.437) 12.041 14.669 ( -1.476 -3.127 1.554) 3.791 15.032 ( -0.616 -5.454 -0.657) 5.528 15.299 ( -4.364 -4.248 -4.499) 7.572 15.446 ( -1.723 -2.022 -1.033) 2.850 15.652 ( -0.762 10.494 -3.310) 11.030 15.986 ( -0.245 -8.495 -0.042) 8.499 16.173 ( 4.760 -4.458 7.163) 9.687 16.400 ( 2.079 3.871 -0.294) 4.404 16.942 ( -10.103 3.765 -8.499) 13.729 17.123 ( -1.711 -5.581 -0.389) 5.850 17.305 ( 1.078 0.768 -2.462) 2.795 17.436 ( 0.981 -2.135 2.099) 3.150 17.462 ( -1.424 0.369 2.163) 2.616 20.040 ( 0.052 -7.928 3.602) 8.708 20.400 ( 2.420 9.278 -3.204) 10.109 20.441 ( -5.670 -7.292 2.660) 9.613 20.737 ( 1.254 9.277 0.155) 9.363 22.383 ( 3.425 -11.634 -1.460) 12.215 22.794 ( -4.669 2.012 0.048) 5.084 22.862 ( 1.955 -5.526 -1.896) 6.160 23.255 ( -0.145 10.277 -0.052) 10.278 27.663 ( 1.440 -21.893 1.929) 22.025 28.295 ( -14.553 -14.616 -13.082) 24.425 28.598 ( -2.187 21.995 -1.360) 22.145 28.795 ( 4.903 14.949 5.505) 16.668 30.932 ( -1.167 -4.491 -0.739) 4.698 31.032 ( -2.159 -1.880 -0.252) 2.874 31.160 ( -1.127 -7.646 -1.330) 7.842 31.410 ( 2.761 -0.102 2.323) 3.610 31.513 ( -1.358 3.031 -0.157) 3.325 31.618 ( 1.230 7.845 0.718) 7.973 31.992 ( 4.127 -1.726 0.159) 4.477 32.678 ( 6.169 -3.490 1.961) 7.354 33.106 ( 6.285 3.070 10.446) 12.572 33.260 ( 0.711 -9.867 0.250) 9.896 33.422 ( -2.273 2.609 0.904) 3.577 33.836 ( 0.129 9.687 -3.063) 10.160 35.381 ( 0.114 -0.948 0.649) 1.154 35.505 ( 0.290 -1.526 -0.788) 1.742 35.598 ( -0.823 -1.077 1.019) 1.696 36.153 ( -2.775 -0.702 4.173) 5.060 36.244 ( 3.485 0.469 -3.737) 5.131 36.340 ( -2.918 2.834 -2.165) 4.608 37.431 ( -6.702 -13.176 -5.008) 15.608 38.193 ( 5.862 12.202 3.021) 13.870 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.104 ( 0.000 -0.000 0.000) 0.000 2.127 ( -0.000 0.000 -0.000) 0.000 2.258 ( 0.000 -0.000 0.000) 0.000 2.554 ( 0.000 0.000 -0.000) 0.000 2.643 ( 0.000 -0.000 0.000) 0.000 2.958 ( 0.000 -0.000 -0.000) 0.000 3.073 ( -0.000 -0.000 0.000) 0.000 3.366 ( 0.000 -0.000 0.000) 0.000 3.440 ( -0.000 0.000 0.000) 0.000 3.498 ( -0.000 -0.000 0.000) 0.000 3.659 ( 0.000 -0.000 0.000) 0.000 3.742 ( -0.000 0.000 -0.000) 0.000 3.794 ( -0.000 -0.000 0.000) 0.000 3.934 ( 0.000 -0.000 -0.000) 0.000 4.018 ( 0.000 -0.000 0.000) 0.000 4.303 ( 0.000 -0.000 0.000) 0.000 4.444 ( 0.000 -0.000 -0.000) 0.000 4.800 ( 0.000 -0.000 -0.000) 0.000 4.942 ( 0.000 -0.000 0.000) 0.000 5.171 ( 0.000 -0.000 -0.000) 0.000 5.179 ( -0.000 0.000 0.000) 0.000 5.337 ( -0.000 -0.000 0.000) 0.000 5.530 ( 0.000 -0.000 0.000) 0.000 5.641 ( 0.000 -0.000 0.000) 0.000 5.833 ( 0.000 -0.000 -0.000) 0.000 5.927 ( 0.000 -0.000 0.000) 0.000 6.048 ( 0.000 -0.000 0.000) 0.000 6.248 ( 0.000 -0.000 0.000) 0.000 6.474 ( -0.000 -0.000 -0.000) 0.000 6.656 ( 0.000 -0.000 0.000) 0.000 7.822 ( 0.000 -0.000 0.000) 0.000 8.024 ( 0.000 -0.000 0.000) 0.000 8.163 ( 0.000 -0.000 -0.000) 0.000 8.404 ( 0.000 -0.000 0.000) 0.000 8.986 ( 0.000 -0.000 -0.000) 0.000 9.088 ( 0.000 -0.000 0.000) 0.000 9.143 ( 0.000 -0.000 0.000) 0.000 9.428 ( 0.000 -0.000 0.000) 0.000 9.610 ( -0.000 -0.000 0.000) 0.000 9.621 ( 0.000 -0.000 0.000) 0.000 9.741 ( -0.000 -0.000 0.000) 0.000 9.768 ( 0.000 -0.000 0.000) 0.000 10.275 ( 0.000 -0.000 0.000) 0.000 10.335 ( -0.000 0.000 0.000) 0.000 10.361 ( -0.000 -0.000 -0.000) 0.000 10.623 ( 0.000 -0.000 0.000) 0.000 10.868 ( 0.000 -0.000 0.000) 0.000 11.281 ( 0.000 -0.000 0.000) 0.000 11.318 ( 0.000 -0.000 -0.000) 0.000 11.479 ( -0.000 -0.000 0.000) 0.000 11.674 ( 0.000 -0.000 0.000) 0.000 11.949 ( 0.000 -0.000 0.000) 0.000 12.231 ( -0.000 -0.000 0.000) 0.000 12.335 ( 0.000 -0.000 0.000) 0.000 12.394 ( -0.000 -0.000 0.000) 0.000 12.589 ( 0.000 -0.000 0.000) 0.000 12.625 ( -0.000 -0.000 -0.000) 0.000 12.631 ( 0.000 0.000 -0.000) 0.000 13.176 ( 0.000 -0.000 -0.000) 0.000 13.523 ( 0.000 -0.000 -0.000) 0.000 13.789 ( 0.000 -0.000 0.000) 0.000 13.961 ( 0.000 -0.000 0.000) 0.000 14.256 ( 0.000 -0.000 0.000) 0.000 14.682 ( 0.000 -0.000 0.000) 0.000 15.070 ( 0.000 -0.000 0.000) 0.000 15.371 ( -0.000 -0.000 0.000) 0.000 15.427 ( 0.000 -0.000 0.000) 0.000 15.510 ( 0.000 -0.000 0.000) 0.000 16.092 ( 0.000 -0.000 0.000) 0.000 16.192 ( -0.000 -0.000 0.000) 0.000 16.459 ( 0.000 -0.000 0.000) 0.000 16.800 ( -0.000 -0.000 -0.000) 0.000 17.183 ( -0.000 -0.000 0.000) 0.000 17.277 ( 0.000 -0.000 0.000) 0.000 17.461 ( 0.000 0.000 -0.000) 0.000 17.466 ( -0.000 -0.000 0.000) 0.000 20.203 ( 0.000 0.000 -0.000) 0.000 20.225 ( 0.000 -0.000 0.000) 0.000 20.549 ( -0.000 -0.000 0.000) 0.000 20.611 ( 0.000 0.000 0.000) 0.000 22.571 ( 0.000 -0.000 0.000) 0.000 22.643 ( 0.000 -0.000 0.000) 0.000 23.040 ( 0.000 -0.000 -0.000) 0.000 23.081 ( 0.000 0.000 0.000) 0.000 28.043 ( 0.000 0.000 -0.000) 0.000 28.181 ( 0.000 -0.000 0.000) 0.000 28.380 ( -0.000 -0.000 -0.000) 0.000 28.682 ( 0.000 -0.000 0.000) 0.000 30.984 ( 0.000 -0.000 0.000) 0.000 31.020 ( 0.000 0.000 0.000) 0.000 31.249 ( 0.000 -0.000 0.000) 0.000 31.375 ( 0.000 -0.000 0.000) 0.000 31.526 ( 0.000 -0.000 0.000) 0.000 31.537 ( 0.000 0.000 -0.000) 0.000 32.025 ( 0.000 -0.000 0.000) 0.000 32.745 ( 0.000 -0.000 0.000) 0.000 33.135 ( -0.000 -0.000 -0.000) 0.000 33.308 ( 0.000 -0.000 0.000) 0.000 33.475 ( 0.000 -0.000 0.000) 0.000 33.694 ( 0.000 -0.000 0.000) 0.000 35.393 ( 0.000 -0.000 -0.000) 0.000 35.518 ( 0.000 -0.000 0.000) 0.000 35.608 ( 0.000 -0.000 0.000) 0.000 36.167 ( 0.000 -0.000 0.000) 0.000 36.242 ( 0.000 -0.000 0.000) 0.000 36.291 ( 0.000 -0.000 -0.000) 0.000 37.524 ( 0.000 -0.000 0.000) 0.000 38.098 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.597 ( 28.013 0.000 15.177) 31.860 0.634 ( 27.270 0.000 17.499) 32.401 1.161 ( 48.257 0.000 31.994) 57.900 2.277 ( 4.435 0.000 -7.280) 8.524 2.288 ( 14.219 0.000 15.671) 21.160 2.785 ( 0.739 0.000 0.587) 0.944 2.918 ( 0.006 0.000 -0.338) 0.338 3.254 ( 2.122 0.000 -5.973) 6.339 3.482 ( -17.655 -0.000 2.899) 17.892 3.604 ( 6.219 0.000 1.925) 6.510 3.629 ( -8.933 -0.000 1.576) 9.071 3.666 ( -2.683 -0.000 -3.562) 4.460 3.893 ( -5.774 -0.000 0.999) 5.859 3.963 ( -9.017 -0.000 4.460) 10.060 4.314 ( 1.224 0.000 -13.677) 13.731 4.359 ( 3.323 0.000 0.764) 3.410 4.466 ( -6.846 -0.000 9.384) 11.615 4.833 ( 3.893 0.000 1.893) 4.328 4.867 ( 10.013 0.000 -5.456) 11.403 5.033 ( 2.849 0.000 3.316) 4.371 5.302 ( -9.868 -0.000 -9.202) 13.493 5.325 ( -5.886 -0.000 2.713) 6.481 5.541 ( 3.184 0.000 0.232) 3.193 5.583 ( -6.847 -0.000 -12.394) 14.159 5.963 ( 3.992 0.000 -3.360) 5.218 6.001 ( 6.764 0.000 5.093) 8.467 6.101 ( 5.008 0.000 -0.979) 5.103 6.425 ( 2.217 0.000 1.995) 2.982 6.634 ( 0.206 0.000 -1.207) 1.225 6.661 ( -4.971 -0.000 -6.982) 8.571 7.785 ( 7.709 0.000 11.663) 13.981 7.981 ( -12.680 -0.000 -3.623) 13.187 8.353 ( -4.660 -0.000 -1.722) 4.968 8.490 ( 2.268 0.000 6.811) 7.178 8.975 ( 1.550 0.000 -1.090) 1.895 9.034 ( 11.862 0.000 -0.468) 11.871 9.187 ( 3.371 0.000 3.770) 5.058 9.228 ( 2.988 0.000 1.062) 3.171 9.462 ( 5.694 0.000 2.959) 6.417 9.648 ( -4.290 -0.000 -12.399) 13.120 9.728 ( -0.302 -0.000 -5.419) 5.428 10.040 ( -6.106 -0.000 4.120) 7.366 10.172 ( -3.798 -0.000 5.792) 6.926 10.328 ( -4.087 -0.000 1.233) 4.269 10.462 ( 3.107 0.000 5.961) 6.721 11.085 ( -5.031 -0.000 -9.023) 10.331 11.122 ( 0.247 0.000 -5.712) 5.718 11.282 ( -1.880 -0.000 2.403) 3.051 11.291 ( 2.522 0.000 -0.847) 2.661 11.615 ( 0.937 0.000 -2.035) 2.240 11.657 ( 0.273 0.000 2.845) 2.858 11.850 ( 20.504 0.000 -7.432) 21.809 12.081 ( -4.231 -0.000 6.385) 7.659 12.547 ( 0.481 0.000 0.892) 1.013 12.549 ( -1.096 -0.000 2.958) 3.154 12.564 ( 5.955 0.000 5.148) 7.871 12.912 ( -1.087 -0.000 -0.256) 1.117 13.097 ( 2.708 0.000 -1.350) 3.026 13.280 ( -7.835 -0.000 2.285) 8.162 13.449 ( 1.706 0.000 -0.591) 1.805 13.663 ( -3.954 -0.000 -4.387) 5.906 13.686 ( -3.268 -0.000 -4.100) 5.243 14.568 ( -1.814 0.000 -0.071) 1.816 14.568 ( -1.804 0.000 0.445) 1.858 14.712 ( 1.228 0.000 -1.725) 2.117 15.061 ( -0.708 -0.000 -4.765) 4.817 15.148 ( 2.009 0.000 1.398) 2.447 15.214 ( 3.741 0.000 -0.498) 3.774 16.080 ( -15.277 -0.000 -6.669) 16.670 16.375 ( 2.043 0.000 2.016) 2.870 16.693 ( 3.187 0.000 -0.249) 3.197 16.739 ( 0.425 0.000 -4.067) 4.089 16.941 ( -1.097 -0.000 -0.657) 1.278 17.137 ( -1.987 -0.000 -2.963) 3.568 17.260 ( 5.959 0.000 4.093) 7.229 17.272 ( -0.109 -0.000 -0.586) 0.596 19.786 ( 2.543 0.000 6.021) 6.536 20.160 ( -4.172 -0.000 0.196) 4.177 20.871 ( 0.391 0.000 1.116) 1.182 20.969 ( 0.093 0.000 -0.118) 0.150 21.964 ( 5.550 0.000 -8.625) 10.256 22.362 ( 1.232 0.000 0.471) 1.319 23.208 ( 1.157 0.000 -0.178) 1.171 23.546 ( -0.350 -0.000 -0.593) 0.689 26.967 ( -0.078 -0.000 -0.002) 0.078 26.976 ( -0.062 -0.000 -0.038) 0.073 29.369 ( 2.851 0.000 3.988) 4.903 29.414 ( 1.217 0.000 -0.278) 1.248 30.736 ( -6.768 -0.000 -2.686) 7.282 30.883 ( -3.374 -0.000 -2.059) 3.952 30.942 ( -2.613 -0.000 -1.823) 3.186 31.476 ( -2.250 -0.000 -1.801) 2.882 31.664 ( -7.977 -0.000 -4.156) 8.995 31.977 ( 4.992 0.000 3.368) 6.022 32.044 ( 2.231 0.000 -2.092) 3.058 32.292 ( 9.644 0.000 -2.464) 9.954 32.721 ( 2.336 0.000 -0.169) 2.342 33.609 ( -2.643 -0.000 -1.319) 2.954 34.150 ( -0.582 -0.000 -1.601) 1.703 34.917 ( -36.162 -0.000 50.115) 61.799 35.325 ( 0.257 0.000 -0.171) 0.309 35.441 ( -13.469 -0.000 17.598) 22.161 35.546 ( -0.638 -0.000 1.125) 1.293 36.132 ( -1.779 -0.000 -2.358) 2.954 36.204 ( 22.371 0.000 -33.314) 40.128 36.264 ( 18.491 0.000 -23.199) 29.667 36.517 ( -4.527 -0.000 0.152) 4.529 38.579 ( 7.726 0.000 4.159) 8.774 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 19.258 -12.559 15.345) 27.642 1.211 ( 16.673 -23.561 14.210) 32.172 1.820 ( 39.142 -14.389 22.755) 47.507 2.305 ( 5.703 -2.693 -5.960) 8.677 2.596 ( 9.719 -9.353 14.935) 20.124 2.708 ( -3.104 4.838 1.273) 5.887 2.816 ( 1.872 6.108 2.900) 7.016 3.157 ( 3.070 6.756 -2.213) 7.744 3.414 ( -8.483 -5.209 -1.967) 10.147 3.576 ( -5.332 -1.904 -5.791) 8.099 3.666 ( 1.525 -0.328 -0.598) 1.670 3.702 ( 0.645 -1.877 3.100) 3.681 3.862 ( -6.998 -0.616 1.806) 7.254 3.929 ( -4.424 -1.444 -2.888) 5.477 4.187 ( -3.307 3.862 -9.342) 10.636 4.388 ( 0.531 -0.302 -0.406) 0.733 4.471 ( -11.503 -2.773 2.056) 12.010 4.853 ( -1.882 2.081 -0.569) 2.863 4.954 ( -3.316 -1.770 -5.475) 6.641 5.088 ( 1.035 -1.170 3.541) 3.870 5.243 ( -4.135 -7.614 -3.108) 9.204 5.317 ( -3.921 -4.496 0.684) 6.004 5.479 ( 1.729 3.062 -3.874) 5.232 5.634 ( 8.301 -6.816 -0.303) 10.745 5.907 ( 0.913 5.935 -1.533) 6.197 6.019 ( 3.962 5.937 -2.603) 7.597 6.108 ( 4.088 2.402 4.798) 6.745 6.469 ( 1.345 -1.007 1.511) 2.260 6.545 ( -2.108 4.354 -5.453) 7.290 6.629 ( -1.539 -0.181 -4.754) 5.000 7.826 ( -2.667 2.462 -1.264) 3.844 7.935 ( 2.027 -1.516 6.627) 7.094 8.282 ( -0.167 4.601 2.851) 5.415 8.519 ( -1.760 0.573 2.543) 3.145 8.940 ( 0.452 3.528 -2.335) 4.254 9.139 ( 8.096 -0.560 1.191) 8.202 9.214 ( 3.542 0.575 2.573) 4.415 9.304 ( 3.229 -1.888 3.941) 5.433 9.495 ( 3.991 1.563 -2.442) 4.932 9.574 ( -3.363 -3.980 -6.486) 8.320 9.736 ( 3.468 -2.730 -3.658) 5.732 9.948 ( -11.025 1.667 4.877) 12.170 10.221 ( 9.929 0.945 5.376) 11.331 10.278 ( -4.504 2.651 1.270) 5.378 10.504 ( 2.873 2.054 5.892) 6.870 10.967 ( -4.474 4.268 -5.045) 7.980 11.002 ( 0.843 7.037 -4.442) 8.365 11.275 ( 2.101 2.564 4.850) 5.875 11.292 ( -2.873 -1.138 -2.458) 3.949 11.617 ( 5.297 -1.307 -0.589) 5.488 11.683 ( -0.946 0.481 2.491) 2.708 11.880 ( 20.537 13.478 1.549) 24.613 12.004 ( -6.625 -2.999 2.179) 7.591 12.458 ( 2.269 5.089 0.839) 5.635 12.545 ( 1.007 2.968 1.743) 3.586 12.677 ( -1.346 -1.605 -1.265) 2.447 12.861 ( -1.150 4.086 -0.231) 4.251 13.045 ( -0.341 8.982 -6.922) 11.344 13.159 ( -1.816 -0.511 7.109) 7.355 13.507 ( 0.190 -0.928 -0.689) 1.172 13.587 ( 1.035 -0.094 -1.462) 1.794 13.684 ( -4.958 -5.357 -5.538) 9.162 14.529 ( 2.648 2.087 -0.533) 3.413 14.577 ( 6.441 5.880 4.891) 9.999 14.713 ( -0.718 -11.956 0.175) 11.979 15.080 ( -4.598 -4.823 -3.867) 7.705 15.311 ( -2.537 -6.433 -3.781) 7.882 15.419 ( -5.113 -17.952 -4.019) 19.094 15.923 ( -8.417 -0.068 0.645) 8.442 16.292 ( 5.369 10.990 -0.745) 12.254 16.653 ( -1.817 5.934 -2.365) 6.641 16.834 ( -9.893 -8.047 -8.434) 15.290 16.978 ( -1.758 -4.809 -0.314) 5.130 17.156 ( -3.224 -5.010 -2.931) 6.640 17.351 ( 0.202 -5.244 2.136) 5.665 17.358 ( 4.048 -4.857 1.272) 6.450 19.870 ( 2.716 -2.129 7.223) 8.005 20.165 ( -5.326 -4.682 0.141) 7.093 20.779 ( 0.178 8.836 1.515) 8.967 20.976 ( 0.049 1.902 0.380) 1.940 22.016 ( 3.925 -6.531 -5.214) 9.233 22.450 ( 1.270 -7.669 0.484) 7.788 23.109 ( 0.733 8.680 -0.206) 8.713 23.521 ( -0.907 3.233 -1.158) 3.551 27.055 ( 0.166 -10.042 0.205) 10.046 27.349 ( -13.933 -32.970 -10.499) 37.301 29.282 ( 1.643 13.613 1.055) 13.753 29.345 ( 3.905 9.596 2.925) 10.765 30.753 ( -7.434 -9.497 -2.974) 12.422 30.841 ( -3.440 -0.454 -2.852) 4.491 30.937 ( -3.550 -3.436 -2.478) 5.527 31.398 ( 1.411 3.142 2.001) 3.983 31.627 ( -8.848 -2.819 -4.436) 10.291 31.915 ( 5.193 7.070 -1.218) 8.856 32.008 ( 2.254 7.265 3.696) 8.457 32.449 ( 7.888 -8.630 -1.361) 11.770 32.840 ( 2.726 -9.689 0.354) 10.071 33.553 ( -3.536 2.393 -1.633) 4.571 34.030 ( 3.810 31.346 20.625) 37.715 34.165 ( 11.920 28.902 12.898) 33.820 35.340 ( -0.368 -0.988 0.970) 1.432 35.438 ( -0.587 -1.273 -0.108) 1.406 35.551 ( -1.724 -0.877 2.078) 2.839 36.140 ( -6.118 -0.255 6.800) 9.151 36.267 ( 5.898 0.458 -6.047) 8.459 36.421 ( -3.395 -0.524 -7.053) 7.845 36.710 ( -8.369 -28.640 -16.668) 34.178 38.611 ( 9.298 7.179 4.921) 12.736 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.476 ( 9.789 -18.014 13.043) 24.299 1.725 ( 2.779 -17.810 8.327) 19.856 2.304 ( 19.621 0.238 9.660) 21.872 2.420 ( 8.849 -9.455 -2.022) 13.107 2.580 ( -7.651 2.680 11.221) 13.843 2.868 ( 2.465 -0.976 4.842) 5.520 3.018 ( 7.629 -16.240 1.797) 18.033 3.131 ( 5.924 -5.719 0.467) 8.248 3.455 ( 0.986 -2.680 -0.966) 3.014 3.526 ( -3.696 0.347 -4.979) 6.211 3.673 ( -0.246 2.424 -3.306) 4.107 3.703 ( 3.550 -2.906 -3.344) 5.677 3.825 ( 1.221 1.815 1.811) 2.840 3.916 ( 3.211 1.845 -4.052) 5.490 4.052 ( -8.432 1.741 -2.922) 9.092 4.319 ( -12.369 2.260 -2.284) 12.780 4.458 ( -2.032 -1.718 0.853) 2.794 4.793 ( -3.754 -1.014 -0.356) 3.905 4.871 ( -4.081 1.865 -2.448) 5.111 5.118 ( -2.359 -3.142 -1.019) 4.059 5.302 ( -1.271 -0.905 -1.545) 2.196 5.390 ( -5.270 -1.590 -1.316) 5.659 5.495 ( 4.785 -1.576 2.423) 5.590 5.802 ( 0.528 -0.045 -2.683) 2.735 5.815 ( 3.040 3.794 0.810) 4.929 5.903 ( 3.367 2.716 1.316) 4.521 6.125 ( 6.557 3.012 8.100) 10.848 6.380 ( -3.169 5.907 -7.344) 9.943 6.456 ( -4.667 2.196 -2.333) 5.661 6.622 ( 3.461 -1.416 -3.132) 4.877 7.798 ( 0.173 -0.946 0.227) 0.988 7.990 ( 0.018 -0.145 1.727) 1.733 8.254 ( 4.133 3.780 8.761) 10.398 8.451 ( -6.388 3.032 -4.137) 8.192 8.882 ( -0.080 -0.069 -0.692) 0.700 9.162 ( -2.327 1.611 0.029) 2.830 9.193 ( 2.338 1.175 0.616) 2.688 9.415 ( -1.908 -4.098 -1.237) 4.687 9.505 ( 1.979 2.415 -1.302) 3.383 9.577 ( 5.903 -3.474 -1.135) 6.942 9.810 ( -0.381 0.370 5.103) 5.131 9.976 ( 5.725 -6.996 0.558) 9.058 10.140 ( 0.658 11.593 2.958) 11.982 10.293 ( 2.209 -0.746 -1.173) 2.610 10.489 ( -0.506 3.096 1.163) 3.345 10.824 ( 2.410 8.588 2.952) 9.396 10.911 ( -1.306 1.122 -3.708) 4.088 11.287 ( -3.120 -0.172 3.175) 4.455 11.294 ( 3.913 0.077 4.655) 6.081 11.630 ( 0.875 5.170 2.754) 5.923 11.740 ( 3.260 -7.501 -5.619) 9.923 11.787 ( 13.488 9.584 2.824) 16.785 12.112 ( -3.449 -9.515 0.325) 10.126 12.381 ( -1.961 3.538 0.069) 4.046 12.462 ( -0.399 7.454 0.731) 7.500 12.577 ( -6.787 4.882 -5.918) 10.243 12.769 ( -2.048 4.427 -4.791) 6.837 12.870 ( 0.659 6.096 1.379) 6.285 13.210 ( 1.160 -0.347 4.244) 4.413 13.500 ( -1.556 0.292 -1.843) 2.430 13.678 ( 8.157 -5.172 2.617) 10.007 13.717 ( -6.427 -6.925 -7.640) 12.150 14.528 ( 7.701 7.583 6.246) 12.483 14.580 ( -3.709 -3.614 0.105) 5.180 14.891 ( -1.322 -8.884 -2.446) 9.309 15.158 ( -2.497 -6.771 -2.242) 7.557 15.342 ( -3.354 -5.887 -4.431) 8.096 15.595 ( -6.999 -10.362 -7.041) 14.351 15.968 ( 1.222 0.475 6.031) 6.172 16.186 ( 6.801 0.939 4.325) 8.115 16.494 ( -1.101 7.209 -3.421) 8.055 16.800 ( -11.309 -3.099 -9.312) 14.974 17.043 ( -0.232 -3.575 2.050) 4.127 17.214 ( -2.878 -5.890 -4.282) 7.830 17.423 ( -1.370 -1.158 4.009) 4.392 17.466 ( 3.203 -3.079 -0.000) 4.443 19.973 ( 1.640 -3.295 6.178) 7.191 20.242 ( -5.176 -8.247 -0.131) 9.738 20.610 ( 0.474 10.921 0.950) 10.972 20.893 ( 0.369 7.061 0.341) 7.079 22.187 ( 3.121 -11.532 -3.278) 12.388 22.629 ( 0.339 -10.578 0.470) 10.594 22.951 ( 0.222 8.693 -0.800) 8.732 23.413 ( -0.145 7.468 -0.484) 7.485 27.320 ( 1.025 -18.227 1.348) 18.306 27.699 ( -14.391 -25.891 -10.708) 31.498 28.960 ( -2.165 20.728 -1.599) 20.902 29.193 ( 8.799 15.255 6.635) 18.819 30.830 ( -3.175 -3.283 -2.556) 5.233 30.882 ( -5.012 -10.258 -2.464) 11.680 30.990 ( -3.308 -7.690 -3.102) 8.928 31.420 ( 1.090 -1.674 2.992) 3.598 31.559 ( -4.820 1.950 -1.671) 5.461 31.800 ( 1.114 8.447 -0.394) 8.530 31.932 ( 1.252 2.562 -2.160) 3.577 32.659 ( 7.233 -8.094 0.541) 10.868 33.066 ( 2.495 -11.964 0.964) 12.259 33.452 ( -3.862 4.955 -1.779) 6.530 33.627 ( 12.796 28.967 23.967) 39.714 33.986 ( 1.939 9.295 -3.840) 10.242 35.364 ( -0.446 -1.334 0.905) 1.672 35.466 ( 0.316 -2.235 -1.292) 2.600 35.571 ( -1.672 -1.507 1.762) 2.859 36.143 ( -3.857 -0.627 5.631) 6.854 36.265 ( 4.784 0.853 -5.057) 7.013 36.346 ( -3.122 1.899 -3.207) 4.862 37.000 ( -9.834 -21.621 -9.305) 25.509 38.520 ( 8.676 13.538 4.550) 16.711 ======================= Grid point 13 (9/114) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.897 ( -1.655 -15.993 5.955) 17.146 2.047 ( 1.753 -13.824 2.696) 14.193 2.384 ( 1.531 4.499 0.075) 4.753 2.518 ( 0.577 2.417 -2.865) 3.793 2.606 ( 0.720 -1.024 3.239) 3.473 2.825 ( -4.444 -1.538 9.242) 10.370 3.256 ( 0.731 -4.919 -5.642) 7.521 3.325 ( 2.128 -7.873 -3.122) 8.732 3.374 ( 4.624 9.749 0.352) 10.796 3.557 ( -1.692 0.846 3.207) 3.724 3.695 ( 5.126 -5.639 -0.259) 7.625 3.800 ( 4.669 2.547 -0.747) 5.371 3.836 ( 2.545 6.288 -4.885) 8.359 3.856 ( 5.827 -6.725 -0.912) 8.945 3.987 ( -3.742 -1.857 1.994) 4.629 4.233 ( -5.752 -3.661 0.793) 6.864 4.469 ( 1.568 0.952 -2.236) 2.892 4.824 ( -0.733 0.187 0.318) 0.821 4.851 ( -2.265 -5.943 4.272) 7.661 5.164 ( 0.979 -3.411 -3.795) 5.196 5.238 ( -10.151 9.285 1.913) 13.889 5.298 ( -1.062 -1.945 -3.525) 4.164 5.528 ( 1.818 0.127 2.829) 3.365 5.655 ( -0.906 6.842 -1.293) 7.021 5.859 ( -4.096 1.521 -0.825) 4.446 5.929 ( 5.790 -2.395 3.377) 7.118 6.142 ( 1.830 6.944 3.225) 7.872 6.236 ( -1.460 1.999 -6.429) 6.889 6.448 ( 3.405 -5.401 1.687) 6.604 6.658 ( 2.766 -0.385 -0.888) 2.931 7.820 ( -0.943 -0.451 0.504) 1.160 7.943 ( -5.251 1.626 -6.976) 8.882 8.243 ( -3.450 3.522 1.293) 5.098 8.408 ( 5.402 -2.351 7.229) 9.326 8.934 ( 1.224 -4.155 -0.288) 4.341 9.090 ( -6.052 2.012 -0.785) 6.426 9.195 ( 3.468 2.568 0.637) 4.362 9.437 ( -1.132 0.686 -0.110) 1.328 9.471 ( -2.225 -4.949 -3.858) 6.658 9.650 ( -1.352 1.606 1.385) 2.515 9.839 ( 8.703 1.938 4.616) 10.040 9.935 ( 4.011 11.174 0.613) 11.888 10.183 ( 1.927 -8.045 -2.244) 8.572 10.286 ( -1.305 -1.067 -2.572) 3.075 10.401 ( -0.784 5.293 0.672) 5.393 10.743 ( 3.533 6.789 5.086) 9.189 10.869 ( -0.471 1.367 -1.969) 2.443 11.289 ( -1.708 -0.466 2.590) 3.137 11.353 ( 3.484 0.989 5.067) 6.228 11.549 ( 0.873 5.977 2.397) 6.499 11.715 ( 3.238 3.268 -3.907) 6.036 11.908 ( 6.465 -5.119 -0.690) 8.275 12.218 ( -3.845 -2.430 -2.102) 5.010 12.306 ( -7.304 2.066 -1.996) 7.849 12.360 ( 0.593 -0.759 1.503) 1.786 12.469 ( -3.237 -3.518 -0.009) 4.781 12.634 ( 0.473 4.866 -4.059) 6.354 12.824 ( 3.432 5.582 2.743) 7.104 13.213 ( 0.844 2.704 2.563) 3.820 13.487 ( -1.156 -2.016 -2.150) 3.166 13.740 ( -7.653 -6.718 -7.106) 12.417 13.843 ( 5.183 -3.103 0.976) 6.120 14.426 ( 2.190 10.983 4.599) 12.106 14.610 ( -5.007 -4.952 -1.452) 7.190 15.015 ( 1.242 -6.304 -1.225) 6.541 15.246 ( -0.623 -7.161 -0.551) 7.210 15.424 ( 0.251 -2.647 -2.438) 3.608 15.593 ( -2.001 1.768 -2.202) 3.461 15.994 ( 1.050 -2.895 3.253) 4.479 16.285 ( 1.114 3.448 3.142) 4.796 16.432 ( 1.004 -2.404 -2.065) 3.325 16.719 ( -5.602 -4.314 -4.730) 8.507 17.127 ( -0.010 -4.248 2.117) 4.746 17.261 ( -0.924 -3.522 -4.604) 5.870 17.421 ( -2.825 1.414 3.511) 4.723 17.519 ( 3.067 -0.185 -0.005) 3.073 20.086 ( 0.202 -5.616 3.829) 6.800 20.369 ( -2.030 -8.670 -1.949) 9.115 20.415 ( -1.068 10.358 1.642) 10.541 20.759 ( 1.357 8.301 -0.032) 8.411 22.417 ( 2.775 -12.585 -1.202) 12.943 22.749 ( -1.972 5.052 1.791) 5.711 22.868 ( 1.133 -7.265 -2.070) 7.639 23.256 ( 0.188 9.968 -0.013) 9.970 27.715 ( 1.918 -22.775 2.213) 22.962 27.963 ( -10.943 -21.281 -8.007) 25.234 28.527 ( -3.111 23.396 -2.269) 23.710 29.035 ( 12.026 15.662 8.733) 21.591 30.877 ( -2.487 -5.660 -2.449) 6.649 30.980 ( -3.510 -5.700 -1.136) 6.790 31.124 ( -0.787 -9.708 -2.314) 10.011 31.435 ( -1.059 2.974 0.955) 3.298 31.520 ( 0.658 -0.769 1.833) 2.094 31.650 ( 1.115 8.680 0.576) 8.771 31.884 ( -6.973 -2.231 -8.074) 10.899 32.833 ( 7.394 -3.018 2.509) 8.371 33.236 ( 1.488 2.854 -1.954) 3.765 33.334 ( 0.496 1.035 6.401) 6.503 33.458 ( 3.395 6.934 9.524) 12.260 33.793 ( 0.173 9.960 -4.883) 11.094 35.385 ( -0.422 -0.836 0.324) 0.991 35.500 ( 0.185 -1.801 -0.732) 1.953 35.593 ( -0.982 -1.260 0.743) 1.762 36.161 ( -1.887 -0.689 3.228) 3.802 36.254 ( 2.878 1.013 -3.386) 4.558 36.292 ( -0.909 0.564 -0.301) 1.111 37.253 ( -7.601 -18.885 -5.248) 21.023 38.332 ( 6.419 15.749 3.381) 17.340 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( -11.695 12.531 -12.702) 21.334 2.059 ( -7.838 14.170 -3.083) 16.484 2.378 ( 3.427 3.632 2.847) 5.748 2.506 ( 1.161 -3.525 -1.885) 4.163 2.638 ( -1.025 -12.660 -0.322) 12.706 2.979 ( 0.078 -0.163 5.134) 5.137 3.114 ( 1.118 9.865 1.146) 9.994 3.283 ( -6.160 2.126 -5.516) 8.537 3.454 ( 0.177 1.203 1.670) 2.066 3.528 ( 6.999 -1.379 -2.183) 7.460 3.647 ( 3.534 6.038 -3.921) 8.021 3.733 ( -2.884 2.761 1.434) 4.242 3.887 ( 3.860 2.180 9.266) 10.272 3.937 ( -2.359 0.686 3.884) 4.596 4.053 ( 4.299 -5.057 -3.375) 7.446 4.353 ( -0.981 -6.529 -2.092) 6.926 4.398 ( 0.984 0.484 -0.436) 1.180 4.852 ( 3.811 -0.875 3.805) 5.456 4.970 ( -0.524 0.609 -0.791) 1.128 5.021 ( -7.604 -1.380 6.263) 9.947 5.230 ( -1.023 -2.559 -2.448) 3.687 5.381 ( 2.863 -10.025 -3.840) 11.111 5.569 ( 1.866 -1.401 3.643) 4.326 5.575 ( -4.111 1.772 1.010) 4.589 5.782 ( -2.999 -0.016 -4.453) 5.368 5.949 ( 4.721 6.374 -2.604) 8.348 6.029 ( -1.376 4.442 1.433) 4.866 6.257 ( 0.921 -5.442 0.333) 5.529 6.601 ( 7.627 -0.242 1.771) 7.834 6.675 ( 1.353 -1.665 4.009) 4.547 7.792 ( -1.327 1.575 -5.099) 5.500 7.842 ( -5.084 -1.148 -3.426) 6.237 8.160 ( -6.718 0.055 -3.434) 7.545 8.570 ( 7.739 -0.201 10.249) 12.844 8.973 ( 1.007 2.243 -1.316) 2.789 9.055 ( -1.799 -4.941 -1.191) 5.391 9.151 ( 1.237 4.581 1.712) 5.045 9.409 ( -1.509 0.182 -1.835) 2.382 9.522 ( -4.928 3.729 0.107) 6.181 9.602 ( -1.755 -6.560 -2.414) 7.207 9.836 ( 6.662 5.613 3.917) 9.551 9.885 ( 8.628 2.175 -0.340) 8.904 10.186 ( -7.304 0.230 -1.705) 7.504 10.271 ( -0.439 1.566 -3.591) 3.942 10.414 ( 0.848 -3.191 1.464) 3.612 10.667 ( 0.653 5.361 3.126) 6.240 10.845 ( -1.594 -1.310 -1.070) 2.325 11.281 ( 0.333 2.565 -0.032) 2.587 11.366 ( 2.857 1.634 3.209) 4.597 11.465 ( -0.932 3.899 1.033) 4.140 11.659 ( 0.833 2.800 -2.689) 3.971 11.965 ( -1.122 3.007 0.964) 3.351 12.204 ( -1.797 -2.804 -1.250) 3.557 12.216 ( -4.178 -2.836 -3.801) 6.321 12.500 ( 0.012 -7.928 4.714) 9.224 12.589 ( 4.754 -1.943 -2.378) 5.659 12.635 ( 0.738 -10.099 2.828) 10.513 12.699 ( 4.166 12.366 1.746) 13.165 13.177 ( -0.165 2.656 0.581) 2.724 13.522 ( 0.404 -2.523 -1.077) 2.773 13.770 ( -4.999 -3.784 -1.934) 6.561 13.818 ( -6.191 1.535 -4.643) 7.889 14.276 ( 0.938 8.472 1.246) 8.615 14.667 ( -1.283 -3.105 -1.725) 3.777 15.097 ( 1.977 -0.643 0.561) 2.153 15.362 ( 1.881 -0.751 -1.505) 2.523 15.437 ( -2.251 -8.302 2.964) 9.098 15.564 ( 4.178 2.687 1.999) 5.355 16.069 ( -1.557 -0.684 -0.059) 1.702 16.209 ( 0.981 5.248 0.621) 5.375 16.341 ( -6.321 2.469 -6.059) 9.098 16.906 ( 6.074 -11.276 4.825) 13.687 17.204 ( -0.506 -2.629 2.221) 3.478 17.267 ( 1.840 0.517 -3.117) 3.656 17.384 ( -4.876 0.338 0.360) 4.901 17.524 ( 2.815 1.919 -0.222) 3.414 20.201 ( 0.748 9.334 -1.162) 9.436 20.228 ( -0.669 -6.532 1.344) 6.702 20.534 ( -1.654 -9.632 0.663) 9.795 20.627 ( 1.843 7.209 -0.606) 7.466 22.567 ( -0.468 9.575 0.400) 9.595 22.668 ( 1.611 -10.444 1.086) 10.623 23.042 ( -0.029 -0.843 0.543) 1.003 23.072 ( -0.212 1.210 -1.079) 1.635 28.036 ( 0.301 17.082 -1.122) 17.122 28.189 ( -1.253 -16.791 1.282) 16.886 28.226 ( -6.254 -19.659 -4.421) 21.098 28.933 ( 14.140 12.588 9.529) 21.194 30.936 ( -2.413 -3.329 -3.342) 5.298 31.034 ( -0.193 -2.621 1.383) 2.970 31.249 ( 0.467 -2.542 -0.158) 2.589 31.372 ( 0.859 2.111 -0.046) 2.280 31.529 ( -0.323 4.775 -0.558) 4.818 31.556 ( 0.573 -0.953 1.832) 2.143 31.815 ( -12.659 -4.983 -9.808) 16.771 32.844 ( 5.540 10.252 3.697) 12.226 33.108 ( -1.123 6.199 -1.761) 6.542 33.348 ( 0.610 0.250 4.303) 4.353 33.477 ( 1.110 6.626 -1.199) 6.825 33.684 ( -0.697 -6.035 -0.621) 6.107 35.388 ( -0.356 0.206 -0.240) 0.476 35.518 ( -0.098 -0.270 0.076) 0.297 35.605 ( -0.121 -0.250 -0.231) 0.361 36.161 ( 0.350 0.413 -1.135) 1.258 36.241 ( -0.589 0.526 0.706) 1.059 36.320 ( 1.871 -2.511 1.338) 3.405 37.479 ( -3.207 -11.914 -1.689) 12.453 38.136 ( 2.594 9.914 1.451) 10.350 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( -9.766 21.189 -11.725) 26.112 1.614 ( -9.764 22.945 -5.079) 25.448 2.248 ( -1.193 4.771 -2.232) 5.401 2.587 ( 11.992 14.628 2.424) 19.070 2.772 ( 0.709 0.544 -3.064) 3.192 2.799 ( 8.710 12.227 4.964) 15.812 2.926 ( -15.874 11.275 -3.092) 19.715 3.114 ( -9.351 11.557 -6.933) 16.404 3.324 ( -1.969 -1.447 0.657) 2.531 3.588 ( 1.312 1.296 -0.691) 1.970 3.688 ( 1.530 -8.494 2.363) 8.949 3.767 ( -1.881 8.206 2.681) 8.835 3.793 ( 1.991 -6.996 2.732) 7.770 3.991 ( 4.151 -0.885 4.518) 6.199 4.141 ( -0.698 -3.291 -2.846) 4.406 4.396 ( 4.280 -6.145 1.066) 7.564 4.564 ( 0.930 -8.134 1.135) 8.265 4.854 ( 0.794 6.963 -1.467) 7.160 4.986 ( 3.068 -3.897 2.069) 5.374 5.124 ( 2.168 -9.694 5.807) 11.507 5.303 ( -2.054 -6.136 1.037) 6.553 5.433 ( -7.485 5.001 -5.989) 10.813 5.557 ( -0.516 -6.944 -2.011) 7.248 5.687 ( 2.606 -4.418 4.654) 6.925 5.784 ( 0.019 -3.057 -1.697) 3.496 5.797 ( -0.355 9.831 -3.892) 10.579 5.966 ( 2.322 3.930 1.114) 4.699 6.388 ( 1.277 -6.593 1.832) 6.961 6.564 ( 0.449 4.611 -0.623) 4.674 6.778 ( 3.807 -1.172 5.121) 6.487 7.701 ( -5.043 1.302 -6.594) 8.403 7.897 ( 5.964 -3.544 4.051) 8.034 8.103 ( -7.078 -2.499 -5.250) 9.160 8.588 ( 2.774 4.615 2.374) 5.884 8.917 ( -3.624 3.977 0.167) 5.383 9.089 ( -0.772 2.071 0.795) 2.349 9.164 ( 5.454 -3.507 1.473) 6.649 9.357 ( -4.327 1.641 -5.009) 6.820 9.420 ( -2.413 1.869 0.343) 3.072 9.660 ( 0.565 0.185 0.758) 0.964 9.828 ( 2.088 2.086 0.808) 3.060 9.994 ( 7.546 -7.191 0.638) 10.443 10.105 ( 0.443 4.658 2.385) 5.252 10.208 ( -4.333 3.181 -3.315) 6.316 10.398 ( -5.354 1.001 -1.254) 5.589 10.683 ( 1.076 -5.824 0.130) 5.924 10.900 ( -0.882 -6.402 0.027) 6.463 11.221 ( 1.302 3.517 -0.375) 3.769 11.393 ( 2.233 0.421 1.780) 2.886 11.416 ( -2.263 -0.261 0.573) 2.349 11.600 ( -0.444 2.374 -1.496) 2.841 11.862 ( -2.345 5.127 1.400) 5.809 12.229 ( -1.616 -2.914 -2.535) 4.186 12.305 ( -0.171 -6.499 1.182) 6.608 12.452 ( 1.110 14.263 -1.464) 14.381 12.633 ( -1.614 -7.904 -0.999) 8.129 12.723 ( 5.209 -3.282 3.366) 7.017 12.867 ( 2.422 -10.106 3.485) 10.961 13.126 ( -0.121 1.562 -1.256) 2.008 13.533 ( -1.112 1.477 -0.295) 1.872 13.653 ( -0.012 6.171 -0.191) 6.174 13.877 ( -5.388 -9.889 -1.689) 11.387 14.139 ( -1.838 6.585 -1.981) 7.118 14.643 ( -0.930 2.827 -1.429) 3.301 15.020 ( -0.955 8.095 -0.567) 8.171 15.468 ( 6.144 -1.178 5.455) 8.300 15.500 ( 3.140 1.111 0.406) 3.355 15.676 ( -1.008 -11.259 1.720) 11.434 15.910 ( -5.203 9.227 -4.529) 11.520 16.087 ( 0.063 7.772 -1.036) 7.841 16.380 ( -0.712 -8.894 -0.055) 8.923 17.159 ( 7.708 -5.406 3.500) 10.044 17.190 ( 2.060 5.217 5.291) 7.711 17.283 ( -1.912 -3.527 -2.342) 4.645 17.341 ( -4.984 -0.308 -1.987) 5.374 17.503 ( 2.765 1.720 -0.917) 3.383 20.011 ( 0.044 9.470 -1.409) 9.574 20.395 ( -0.810 -10.125 0.769) 10.186 20.489 ( 2.217 8.185 -0.439) 8.492 20.721 ( -0.506 -10.144 -0.157) 10.158 22.352 ( -1.741 12.370 0.592) 12.506 22.830 ( 0.300 12.407 -0.621) 12.427 22.890 ( 1.554 -9.764 2.078) 10.103 23.261 ( 0.297 -11.206 0.102) 11.210 27.633 ( -0.483 21.334 -0.723) 21.351 28.494 ( -1.192 -17.273 1.188) 17.354 28.616 ( 0.924 -21.830 1.684) 21.914 28.914 ( 12.431 6.335 6.150) 15.248 30.883 ( -3.596 4.419 -4.158) 7.053 31.084 ( 2.223 0.558 2.520) 3.407 31.183 ( 0.704 7.061 -0.067) 7.097 31.300 ( -5.432 6.156 -3.277) 8.840 31.550 ( 1.974 -5.947 0.893) 6.330 31.607 ( -0.154 -5.323 0.217) 5.330 31.783 ( -9.113 -5.741 -5.846) 12.255 32.660 ( 1.094 12.875 1.619) 13.022 32.951 ( -2.615 8.090 -4.002) 9.396 33.252 ( -0.256 12.736 -0.036) 12.738 33.448 ( 1.072 -5.390 -0.013) 5.495 33.857 ( -0.098 -10.090 1.045) 10.145 35.372 ( -0.177 1.026 -0.355) 1.100 35.508 ( -0.159 1.340 0.350) 1.394 35.597 ( 0.313 0.871 -0.495) 1.049 36.154 ( 1.728 0.050 -2.088) 2.711 36.233 ( -1.897 0.064 1.962) 2.730 36.402 ( 1.709 -3.832 1.159) 4.353 37.542 ( 2.188 5.062 1.884) 5.828 38.109 ( -1.820 -7.007 -0.906) 7.296 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.865 ( -0.000 23.798 0.000) 23.798 1.081 ( -0.000 29.043 0.000) 29.043 1.993 ( -0.000 48.682 0.000) 48.682 2.203 ( -0.000 2.047 0.000) 2.047 2.625 ( -0.000 2.520 0.000) 2.520 2.688 ( -0.000 2.527 0.000) 2.527 2.739 ( -0.000 19.382 0.000) 19.382 2.971 ( 0.000 -10.675 -0.000) 10.675 3.461 ( 0.000 -8.663 -0.000) 8.663 3.557 ( -0.000 0.540 0.000) 0.540 3.654 ( -0.000 4.476 0.000) 4.476 3.865 ( 0.000 -5.642 -0.000) 5.642 3.909 ( 0.000 -3.460 -0.000) 3.460 4.034 ( 0.000 -0.593 -0.000) 0.593 4.203 ( 0.000 -6.535 -0.000) 6.535 4.558 ( 0.000 -6.727 -0.000) 6.727 4.632 ( -0.000 6.879 0.000) 6.879 4.747 ( 0.000 -2.607 -0.000) 2.607 5.088 ( 0.000 -4.289 -0.000) 4.289 5.158 ( -0.000 14.124 0.000) 14.124 5.388 ( 0.000 -3.729 -0.000) 3.729 5.469 ( 0.000 -17.026 -0.000) 17.026 5.515 ( -0.000 17.116 0.000) 17.116 5.594 ( -0.000 3.728 0.000) 3.728 5.787 ( 0.000 -5.617 -0.000) 5.617 5.872 ( 0.000 -5.309 -0.000) 5.309 5.954 ( 0.000 -0.913 -0.000) 0.913 6.478 ( -0.000 4.396 0.000) 4.396 6.513 ( 0.000 -5.947 -0.000) 5.947 6.807 ( -0.000 1.157 0.000) 1.157 7.633 ( -0.000 1.016 0.000) 1.016 8.060 ( 0.000 -7.313 -0.000) 7.313 8.081 ( 0.000 -1.963 -0.000) 1.963 8.542 ( -0.000 2.585 0.000) 2.585 8.809 ( -0.000 3.524 0.000) 3.524 9.049 ( -0.000 2.066 0.000) 2.066 9.220 ( -0.000 1.941 0.000) 1.941 9.291 ( -0.000 2.253 0.000) 2.253 9.394 ( 0.000 -0.328 -0.000) 0.328 9.661 ( 0.000 -0.611 -0.000) 0.611 9.807 ( -0.000 1.700 0.000) 1.700 9.980 ( -0.000 7.664 0.000) 7.664 10.073 ( -0.000 5.123 0.000) 5.123 10.227 ( 0.000 -9.767 -0.000) 9.767 10.371 ( 0.000 -0.322 -0.000) 0.322 10.839 ( 0.000 -10.084 -0.000) 10.084 11.048 ( 0.000 -9.249 -0.000) 9.249 11.188 ( -0.000 0.704 0.000) 0.704 11.375 ( -0.000 0.239 0.000) 0.239 11.462 ( 0.000 -2.401 -0.000) 2.401 11.574 ( 0.000 -0.703 -0.000) 0.703 11.775 ( -0.000 4.755 0.000) 4.755 12.206 ( -0.000 10.763 0.000) 10.763 12.255 ( 0.000 -1.906 -0.000) 1.906 12.433 ( 0.000 -6.096 -0.000) 6.096 12.732 ( -0.000 4.380 0.000) 4.380 12.767 ( 0.000 -7.726 -0.000) 7.726 13.033 ( 0.000 -5.697 -0.000) 5.697 13.132 ( 0.000 -0.743 -0.000) 0.743 13.501 ( 0.000 -0.816 -0.000) 0.816 13.580 ( -0.000 2.812 0.000) 2.812 13.983 ( -0.000 7.907 0.000) 7.907 14.039 ( 0.000 -9.724 -0.000) 9.724 14.580 ( -0.000 2.653 0.000) 2.653 14.857 ( -0.000 8.772 0.000) 8.772 15.386 ( -0.000 9.165 0.000) 9.165 15.446 ( -0.000 11.376 0.000) 11.376 15.742 ( -0.000 7.529 0.000) 7.529 15.899 ( 0.000 -12.688 -0.000) 12.688 16.049 ( 0.000 -5.980 -0.000) 5.980 16.552 ( 0.000 -9.636 -0.000) 9.636 17.086 ( -0.000 6.529 0.000) 6.529 17.249 ( -0.000 0.970 0.000) 0.970 17.294 ( -0.000 1.240 0.000) 1.240 17.307 ( -0.000 2.391 0.000) 2.391 17.546 ( 0.000 -5.413 -0.000) 5.413 19.861 ( -0.000 6.489 0.000) 6.489 20.354 ( -0.000 7.608 0.000) 7.608 20.579 ( 0.000 -10.482 -0.000) 10.482 20.882 ( 0.000 -7.595 -0.000) 7.595 22.130 ( -0.000 11.083 0.000) 11.083 22.606 ( -0.000 11.767 0.000) 11.767 23.064 ( 0.000 -7.412 -0.000) 7.412 23.451 ( 0.000 -9.460 -0.000) 9.460 27.288 ( -0.000 16.554 0.000) 16.554 28.834 ( 0.000 -18.677 -0.000) 18.677 28.899 ( -0.000 3.741 0.000) 3.741 29.006 ( 0.000 -19.529 -0.000) 19.529 30.688 ( -0.000 11.370 0.000) 11.370 31.038 ( -0.000 7.119 0.000) 7.119 31.061 ( -0.000 5.887 0.000) 5.887 31.133 ( -0.000 6.614 0.000) 6.614 31.686 ( 0.000 -7.928 -0.000) 7.928 31.765 ( 0.000 -10.811 -0.000) 10.811 31.797 ( 0.000 -1.352 -0.000) 1.352 32.472 ( -0.000 7.678 0.000) 7.678 32.755 ( -0.000 9.974 0.000) 9.974 33.018 ( -0.000 12.883 0.000) 12.883 33.550 ( 0.000 -4.916 -0.000) 4.916 34.020 ( 0.000 -7.670 -0.000) 7.670 35.349 ( -0.000 1.198 0.000) 1.198 35.477 ( -0.000 1.960 0.000) 1.960 35.576 ( -0.000 1.365 0.000) 1.365 36.159 ( 0.000 -0.329 -0.000) 0.329 36.233 ( 0.000 -0.282 -0.000) 0.282 36.481 ( 0.000 -3.584 -0.000) 3.584 37.415 ( -0.000 9.299 0.000) 9.299 38.280 ( 0.000 -11.112 -0.000) 11.112 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 28.117 0.000 14.738) 31.746 1.211 ( 22.316 0.000 15.425) 27.128 2.149 ( 35.136 0.000 24.657) 42.925 2.245 ( 5.952 0.000 -11.361) 12.826 2.695 ( 12.717 0.000 12.646) 17.934 2.786 ( -3.605 -0.000 2.841) 4.590 2.928 ( 0.808 0.000 1.220) 1.463 3.181 ( -3.713 -0.000 -7.685) 8.535 3.236 ( -18.804 -0.000 6.856) 20.015 3.432 ( -4.740 -0.000 -4.314) 6.409 3.663 ( -1.805 -0.000 0.983) 2.055 3.722 ( 0.005 0.000 3.496) 3.496 3.834 ( -1.340 -0.000 0.470) 1.420 3.868 ( 2.259 0.000 -7.610) 7.938 4.153 ( -4.490 -0.000 -7.898) 9.085 4.359 ( -3.387 -0.000 -4.188) 5.386 4.364 ( -13.982 -0.000 2.442) 14.193 4.836 ( -3.722 -0.000 1.589) 4.047 4.973 ( 3.714 0.000 -1.830) 4.141 5.077 ( -4.425 -0.000 -6.225) 7.637 5.133 ( -10.062 -0.000 -1.136) 10.125 5.220 ( 10.516 0.000 7.913) 13.161 5.572 ( 10.237 0.000 -0.332) 10.242 5.621 ( 7.176 0.000 -0.418) 7.188 5.934 ( -3.622 -0.000 -4.109) 5.478 6.077 ( 2.944 0.000 -6.893) 7.496 6.178 ( 2.824 0.000 5.059) 5.794 6.470 ( -3.981 -0.000 -0.477) 4.010 6.531 ( 3.312 0.000 -3.418) 4.760 6.636 ( 1.411 0.000 -0.927) 1.688 7.801 ( -4.192 -0.000 -2.570) 4.917 7.980 ( 3.560 0.000 5.402) 6.469 8.356 ( 2.723 0.000 5.830) 6.435 8.506 ( -5.347 -0.000 0.244) 5.353 8.976 ( 0.700 0.000 -2.693) 2.783 9.206 ( 4.691 0.000 -0.169) 4.694 9.300 ( 4.357 0.000 4.571) 6.315 9.346 ( -10.746 -0.000 -15.034) 18.480 9.353 ( 7.560 0.000 5.379) 9.278 9.577 ( 3.250 0.000 1.589) 3.618 9.718 ( 6.703 0.000 -1.647) 6.902 9.914 ( -6.017 -0.000 6.176) 8.623 10.252 ( -6.792 -0.000 1.314) 6.918 10.321 ( 5.927 0.000 4.456) 7.415 10.593 ( 3.225 0.000 8.064) 8.685 10.911 ( -1.620 -0.000 -9.407) 9.546 11.102 ( 2.134 0.000 -1.642) 2.693 11.250 ( -3.668 -0.000 0.761) 3.746 11.322 ( 3.118 0.000 -1.091) 3.303 11.619 ( 2.038 0.000 -0.665) 2.144 11.727 ( 3.310 0.000 3.810) 5.047 11.914 ( -4.870 -0.000 1.088) 4.990 12.264 ( 15.695 0.000 3.771) 16.142 12.478 ( -7.306 -0.000 -4.872) 8.782 12.540 ( -0.255 -0.000 -3.185) 3.195 12.679 ( 0.884 0.000 3.028) 3.154 12.937 ( 2.031 0.000 1.624) 2.600 13.091 ( 1.708 0.000 -8.853) 9.016 13.197 ( -7.220 -0.000 7.564) 10.457 13.445 ( 0.049 0.000 -1.991) 1.992 13.567 ( -4.414 -0.000 -5.547) 7.089 13.610 ( 2.190 0.000 0.554) 2.259 14.517 ( -3.117 -0.000 -1.252) 3.359 14.543 ( -2.979 -0.000 1.074) 3.167 14.706 ( 0.971 0.000 -3.052) 3.203 15.022 ( -0.071 -0.000 -1.163) 1.165 15.057 ( -10.409 -0.000 -11.480) 15.496 15.248 ( 1.228 0.000 -0.184) 1.242 15.846 ( -6.672 -0.000 3.031) 7.328 16.441 ( 1.629 0.000 4.198) 4.503 16.696 ( -0.230 -0.000 -3.626) 3.633 16.703 ( 1.837 0.000 -5.169) 5.486 16.922 ( -1.313 -0.000 0.587) 1.438 17.058 ( -2.944 -0.000 -3.157) 4.317 17.262 ( -0.044 -0.000 -0.944) 0.945 17.406 ( 5.876 0.000 4.474) 7.385 19.928 ( 4.127 0.000 8.798) 9.718 20.079 ( -5.997 -0.000 0.251) 6.002 20.895 ( 0.610 0.000 1.606) 1.718 20.970 ( -0.296 -0.000 0.587) 0.657 21.952 ( 2.412 0.000 -4.198) 4.842 22.393 ( 1.764 0.000 0.655) 1.881 23.225 ( 1.370 0.000 -0.369) 1.418 23.536 ( -0.007 -0.000 -0.467) 0.467 26.965 ( -0.108 -0.000 -0.004) 0.108 26.974 ( -0.093 -0.000 -0.034) 0.099 29.429 ( 0.778 0.000 -0.432) 0.890 29.489 ( 6.216 0.000 4.158) 7.478 30.558 ( -9.468 -0.000 -4.953) 10.685 30.787 ( -4.285 -0.000 -3.359) 5.445 30.856 ( -4.489 -0.000 -3.346) 5.599 31.432 ( -1.608 -0.000 -0.501) 1.684 31.485 ( -8.400 -0.000 -3.489) 9.096 32.058 ( 1.050 0.000 -0.157) 1.062 32.102 ( 5.113 0.000 4.037) 6.514 32.412 ( 7.002 0.000 -0.047) 7.002 32.766 ( 3.670 0.000 -0.469) 3.700 33.533 ( -4.272 -0.000 -2.045) 4.736 34.114 ( -1.083 -0.000 -2.241) 2.489 34.922 ( -14.814 -0.000 20.903) 25.620 35.324 ( -0.007 -0.000 -0.489) 0.489 35.426 ( -6.305 -0.000 7.196) 9.567 35.551 ( -0.653 -0.000 1.453) 1.593 36.072 ( -1.672 -0.000 -2.605) 3.096 36.177 ( 6.883 0.000 -11.617) 13.503 36.287 ( 10.054 0.000 -12.059) 15.700 36.430 ( -6.248 -0.000 0.012) 6.248 38.787 ( 10.471 0.000 5.761) 11.952 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( 16.372 -3.092 12.455) 20.802 1.621 ( 15.276 -9.158 11.385) 21.139 2.284 ( 4.835 -7.223 -9.845) 13.132 2.527 ( 17.738 -1.008 9.257) 20.034 2.682 ( 0.515 5.072 12.623) 13.613 2.850 ( 1.592 -1.301 6.964) 7.261 2.887 ( 3.228 -2.819 2.225) 4.829 3.192 ( 2.941 0.863 -2.349) 3.861 3.303 ( -5.395 -13.900 3.376) 15.288 3.391 ( -8.055 -3.298 -6.058) 10.605 3.652 ( -0.890 -0.037 -0.404) 0.978 3.689 ( -2.564 0.634 -3.832) 4.654 3.852 ( 3.628 -0.552 0.363) 3.687 3.893 ( 5.442 -2.099 -7.437) 9.452 4.041 ( -9.970 2.856 1.977) 10.557 4.231 ( -12.110 2.139 -4.543) 13.110 4.360 ( -4.754 -5.440 -2.212) 7.556 4.807 ( -3.169 2.246 1.622) 4.209 4.898 ( 1.858 6.160 0.254) 6.439 4.990 ( -6.566 -4.129 -3.085) 8.347 5.221 ( -1.385 -5.819 -1.823) 6.254 5.369 ( 5.931 -1.497 5.813) 8.438 5.608 ( 9.847 2.910 4.564) 11.237 5.765 ( 5.907 -6.034 -0.764) 8.479 5.851 ( -2.551 2.296 -2.358) 4.164 6.016 ( 4.266 4.890 -4.914) 8.140 6.196 ( -0.590 0.400 2.666) 2.760 6.382 ( -5.888 3.333 -4.829) 8.313 6.538 ( 2.460 5.416 -0.142) 5.950 6.624 ( 3.454 -0.165 -1.030) 3.608 7.788 ( 1.259 -0.554 1.008) 1.705 8.025 ( 3.486 0.951 2.101) 4.180 8.380 ( -0.421 2.874 6.263) 6.904 8.439 ( -5.696 2.187 -1.502) 6.284 8.890 ( -2.414 3.686 -4.618) 6.383 9.149 ( -8.357 -2.795 -9.508) 12.964 9.212 ( 0.371 5.073 0.168) 5.089 9.375 ( 2.202 -1.005 2.931) 3.802 9.516 ( 6.568 -5.282 4.412) 9.514 9.570 ( 2.204 2.603 -1.442) 3.703 9.829 ( 6.558 -3.959 0.270) 7.665 9.942 ( 2.214 -1.735 5.891) 6.528 10.219 ( -3.882 0.245 4.587) 6.014 10.379 ( 4.394 0.896 2.234) 5.010 10.591 ( 1.743 7.383 1.888) 7.817 10.866 ( 1.366 -0.782 -2.567) 3.011 11.044 ( 4.165 7.412 1.008) 8.561 11.230 ( -3.049 -0.792 -0.504) 3.190 11.368 ( 3.222 -1.785 3.265) 4.923 11.644 ( 2.860 -1.264 -3.059) 4.375 11.742 ( 3.597 3.258 2.985) 5.698 11.928 ( -5.896 -5.183 2.345) 8.193 12.198 ( 12.155 14.819 4.376) 19.659 12.410 ( -2.178 2.536 -5.316) 6.280 12.487 ( -5.384 1.122 -7.262) 9.109 12.621 ( -2.676 5.840 0.984) 6.499 12.862 ( -0.880 7.523 -1.040) 7.645 12.960 ( -4.006 6.750 -3.718) 8.686 13.209 ( -0.577 -1.927 5.104) 5.486 13.435 ( -3.591 -2.814 -5.934) 7.485 13.606 ( 2.595 -0.322 0.101) 2.617 13.654 ( 3.955 -5.388 2.844) 7.263 14.488 ( -4.363 -1.085 -2.080) 4.954 14.661 ( -5.202 -11.414 -2.302) 12.753 14.716 ( 5.908 2.467 -0.448) 6.418 14.928 ( -6.673 -11.698 -4.794) 14.295 15.184 ( -6.622 -9.201 -9.381) 14.715 15.279 ( -2.650 -6.988 -0.299) 7.479 15.930 ( 0.963 -7.498 8.512) 11.384 16.379 ( 4.673 9.591 1.583) 10.786 16.602 ( -0.503 7.373 -3.400) 8.135 16.651 ( -5.114 0.257 -5.458) 7.484 16.976 ( -0.781 -4.970 0.916) 5.114 17.073 ( -2.742 -4.549 -2.328) 5.800 17.333 ( -0.497 -6.816 -0.794) 6.880 17.478 ( 4.399 -0.638 3.164) 5.456 20.006 ( 3.261 -0.011 7.540) 8.215 20.080 ( -5.363 -4.883 0.209) 7.256 20.799 ( 0.393 9.002 1.195) 9.089 20.982 ( -0.063 1.840 0.652) 1.953 22.012 ( 1.840 -7.151 -3.105) 8.011 22.478 ( 1.362 -6.999 0.559) 7.152 23.133 ( 1.678 9.466 0.075) 9.613 23.508 ( 0.123 3.387 -0.331) 3.405 27.063 ( 0.320 -11.034 0.422) 11.047 27.164 ( -4.155 -18.891 -2.871) 19.554 29.270 ( -1.487 15.678 -1.076) 15.786 29.496 ( 7.527 7.546 4.760) 11.673 30.593 ( -6.608 -12.729 -4.539) 15.043 30.748 ( -3.677 -1.369 -2.840) 4.843 30.834 ( -4.760 -3.769 -3.669) 7.094 31.402 ( -2.865 -0.823 0.525) 3.027 31.467 ( -4.909 -3.381 -2.288) 6.385 31.959 ( 1.956 8.841 -0.086) 9.055 32.089 ( 3.054 7.979 2.397) 8.873 32.548 ( 5.414 -8.509 0.074) 10.086 32.893 ( 3.279 -9.754 0.349) 10.296 33.467 ( -4.306 2.277 -2.038) 5.280 34.042 ( -1.663 5.874 -0.912) 6.173 34.512 ( 3.347 35.163 14.856) 38.319 35.337 ( -0.981 -1.379 0.409) 1.741 35.427 ( -0.838 -1.309 0.211) 1.568 35.548 ( -1.246 -0.435 1.590) 2.066 36.132 ( -4.659 -1.241 7.023) 8.519 36.283 ( -0.521 -1.368 0.278) 1.490 36.304 ( 5.579 -3.602 -13.811) 15.324 36.480 ( -6.059 -18.083 -7.187) 20.381 38.819 ( 9.039 8.458 4.949) 13.332 ======================= Grid point 21 (15/114) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( 2.113 -8.984 7.483) 11.882 1.875 ( 3.827 -9.022 4.485) 10.778 2.374 ( -1.491 -0.867 -6.158) 6.395 2.591 ( 4.993 -1.000 4.992) 7.131 2.743 ( 8.441 7.324 9.232) 14.496 2.910 ( -3.590 6.347 2.114) 7.592 3.065 ( -1.249 -10.494 -4.553) 11.507 3.143 ( 2.065 -10.141 -0.606) 10.367 3.449 ( -2.100 -9.455 0.910) 9.728 3.539 ( 4.890 -1.335 4.347) 6.678 3.669 ( 3.894 -1.504 -4.590) 6.204 3.696 ( 6.331 -7.994 -7.231) 12.501 3.841 ( -8.785 2.237 -2.350) 9.365 3.896 ( -2.218 -1.110 6.627) 7.076 3.994 ( 0.880 0.709 0.889) 1.438 4.114 ( -4.903 -2.656 -6.196) 8.335 4.426 ( -1.085 -4.414 -1.935) 4.940 4.779 ( -0.327 -0.422 5.026) 5.054 4.860 ( 1.242 1.348 3.131) 3.628 5.028 ( -4.203 -5.415 -3.701) 7.790 5.230 ( -3.097 -1.262 -5.499) 6.436 5.354 ( -3.329 7.323 3.815) 8.903 5.668 ( 8.638 4.948 6.289) 11.775 5.770 ( 2.461 8.094 -4.051) 9.380 5.848 ( -0.279 -7.946 1.133) 8.031 5.953 ( 0.907 6.271 2.741) 6.904 6.204 ( -3.949 3.135 -7.418) 8.969 6.326 ( 5.130 -4.103 4.168) 7.780 6.375 ( -1.757 6.566 -2.416) 7.213 6.675 ( 4.179 -0.852 -0.363) 4.280 7.815 ( 1.149 0.276 2.105) 2.414 7.975 ( -0.924 6.605 -3.371) 7.473 8.233 ( -10.198 5.005 -5.311) 12.540 8.477 ( 6.697 -2.785 11.006) 13.181 8.869 ( -0.491 -3.705 -1.868) 4.178 9.071 ( -6.180 2.068 -2.256) 6.897 9.179 ( -0.207 -4.020 -4.707) 6.194 9.413 ( 1.951 0.440 2.551) 3.241 9.500 ( 1.269 4.660 0.006) 4.829 9.641 ( -0.268 -2.142 1.542) 2.653 9.899 ( 0.278 -1.672 -3.793) 4.154 10.037 ( 4.360 -1.735 4.083) 6.220 10.232 ( 2.678 5.499 7.649) 9.794 10.314 ( 3.189 7.138 -2.995) 8.372 10.488 ( 1.266 2.919 -0.132) 3.185 10.883 ( 1.392 1.989 1.813) 3.031 10.951 ( 5.352 7.961 1.842) 9.768 11.239 ( -2.471 -2.933 0.086) 3.836 11.453 ( 3.798 -0.081 7.582) 8.481 11.640 ( 0.471 1.028 -3.909) 4.070 11.725 ( 1.857 1.392 0.273) 2.336 12.020 ( 6.996 1.662 2.917) 7.759 12.089 ( 1.642 1.880 1.866) 3.116 12.286 ( -7.302 2.868 -5.202) 9.413 12.370 ( -2.786 1.453 -4.389) 5.398 12.487 ( -1.489 6.846 1.360) 7.136 12.702 ( -2.457 6.168 -5.057) 8.346 12.866 ( -2.730 -1.042 0.431) 2.953 13.271 ( 0.599 -0.877 4.051) 4.188 13.426 ( -2.901 -3.192 -6.196) 7.550 13.548 ( -4.414 2.030 -2.815) 5.615 13.879 ( 10.871 -5.255 6.257) 13.600 14.430 ( -10.101 -3.820 -6.605) 12.659 14.662 ( 2.264 8.544 3.874) 9.651 14.844 ( 0.165 -12.584 -2.597) 12.850 15.117 ( -0.066 -7.291 -1.654) 7.476 15.267 ( -2.195 -12.452 -3.484) 13.115 15.426 ( -4.690 -11.196 -2.931) 12.487 16.089 ( 3.250 1.607 8.424) 9.171 16.336 ( 5.434 -2.087 3.676) 6.884 16.425 ( -1.513 6.782 -5.589) 8.918 16.573 ( -6.858 -0.958 -5.128) 8.616 17.061 ( -1.164 -4.620 0.433) 4.784 17.139 ( -0.966 -5.386 -1.306) 5.626 17.425 ( -0.900 -3.170 0.793) 3.390 17.523 ( 2.449 -0.356 0.798) 2.600 20.061 ( 1.324 -0.688 4.553) 4.791 20.170 ( -3.603 -8.805 0.047) 9.514 20.625 ( 0.405 11.186 0.515) 11.205 20.902 ( 0.308 6.692 0.207) 6.702 22.192 ( 1.364 -12.578 -1.722) 12.768 22.644 ( 0.567 -9.812 0.659) 9.850 22.961 ( 1.081 10.386 -0.256) 10.445 23.413 ( 0.345 7.210 -0.030) 7.219 27.352 ( 0.968 -19.583 1.168) 19.642 27.471 ( -5.774 -21.369 -3.991) 22.492 28.902 ( -2.343 21.720 -1.496) 21.897 29.407 ( 8.168 11.958 5.563) 15.513 30.754 ( -2.226 -4.490 -2.614) 5.652 30.792 ( -2.959 -12.162 -1.092) 12.564 30.885 ( -4.336 -9.635 -4.240) 11.385 31.413 ( -3.825 -2.483 -0.706) 4.614 31.496 ( -0.917 -2.977 0.713) 3.195 31.804 ( 0.500 9.214 -0.717) 9.255 31.938 ( 1.243 10.527 -0.504) 10.612 32.755 ( 3.939 -9.559 0.699) 10.363 33.120 ( 2.856 -11.640 0.928) 12.021 33.367 ( -3.918 3.991 -1.655) 5.832 33.873 ( -1.268 12.943 5.010) 13.936 34.057 ( 7.018 26.083 3.987) 27.303 35.360 ( -0.860 -1.580 0.359) 1.834 35.457 ( 0.175 -2.364 -0.859) 2.522 35.564 ( -1.143 -1.403 1.070) 2.102 36.154 ( -1.934 -0.668 3.745) 4.267 36.278 ( 3.168 1.126 -3.621) 4.942 36.291 ( -0.735 0.361 -0.689) 1.070 36.782 ( -6.663 -22.922 -5.957) 24.603 38.685 ( 5.999 15.105 3.230) 16.570 ======================= Grid point 22 (16/114) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -2.079 1.893 0.156) 2.816 2.076 ( -1.671 -20.383 -0.631) 20.461 2.286 ( -3.500 3.858 -0.775) 5.267 2.534 ( 0.447 10.446 -2.023) 10.649 2.632 ( 1.491 11.085 -0.955) 11.226 2.865 ( -2.285 -10.815 7.633) 13.433 3.181 ( -0.843 -4.916 -6.114) 7.890 3.372 ( 3.399 3.642 1.632) 5.243 3.498 ( 4.985 2.468 4.534) 7.176 3.577 ( 3.381 -1.222 -2.403) 4.324 3.665 ( -4.747 0.648 -2.445) 5.379 3.795 ( 1.120 -5.125 3.658) 6.395 3.875 ( 1.302 -4.363 -1.473) 4.785 3.961 ( -2.959 -2.470 9.772) 10.505 3.995 ( 8.174 -0.304 -7.971) 11.421 4.171 ( -3.497 -8.472 -4.586) 10.249 4.437 ( -0.254 2.538 0.202) 2.559 4.853 ( 1.254 -2.597 3.314) 4.393 4.909 ( -0.394 -4.457 4.143) 6.098 5.028 ( -3.970 0.321 -2.996) 4.984 5.194 ( -3.064 0.802 -0.765) 3.259 5.236 ( -0.861 -0.773 -2.169) 2.459 5.596 ( -0.037 4.237 0.963) 4.345 5.695 ( 4.812 6.048 4.478) 8.933 5.792 ( -1.865 8.409 -2.735) 9.037 6.011 ( 1.853 -5.402 0.946) 5.789 6.132 ( -2.894 8.005 1.930) 8.729 6.156 ( 0.093 -1.745 -5.486) 5.758 6.588 ( 5.419 -9.613 2.940) 11.420 6.691 ( 1.462 1.551 -0.020) 2.132 7.800 ( -2.993 6.024 -3.771) 7.711 7.835 ( 3.293 0.047 2.047) 3.878 8.062 ( -10.335 1.562 -5.555) 11.837 8.671 ( 7.295 -2.344 9.933) 12.545 8.944 ( 1.333 -5.202 -1.833) 5.674 8.990 ( -4.106 0.558 -1.587) 4.438 9.257 ( 3.336 -1.797 0.711) 3.855 9.412 ( -1.919 1.054 -1.886) 2.890 9.446 ( 1.312 0.257 2.042) 2.441 9.607 ( -2.541 4.785 -1.290) 5.569 9.887 ( -3.093 -4.505 -4.277) 6.939 10.038 ( 3.985 10.471 1.893) 11.362 10.149 ( 1.857 3.359 3.548) 5.227 10.270 ( -0.138 -1.491 -3.580) 3.881 10.461 ( 2.036 4.239 2.498) 5.325 10.825 ( 0.288 7.440 3.628) 8.283 10.849 ( 0.848 4.595 -2.419) 5.262 11.284 ( -0.505 -2.161 0.488) 2.272 11.468 ( 2.735 4.580 4.389) 6.908 11.590 ( 1.590 4.757 0.435) 5.035 11.701 ( 0.205 3.276 -0.968) 3.422 11.998 ( 4.847 0.757 -1.489) 5.127 12.082 ( -6.500 -0.821 -3.738) 7.543 12.208 ( -2.731 2.588 0.427) 3.787 12.407 ( 0.932 -8.655 1.751) 8.880 12.481 ( 1.719 -3.751 4.805) 6.334 12.583 ( -1.149 0.848 -5.930) 6.099 12.879 ( 0.780 2.246 1.180) 2.655 13.259 ( 1.629 5.132 2.767) 6.054 13.455 ( 0.095 -4.704 -4.077) 6.226 13.503 ( -8.492 -6.195 -3.757) 11.163 13.946 ( 3.301 6.943 2.366) 8.044 14.474 ( 2.905 2.670 -2.279) 4.556 14.518 ( -5.406 -2.070 1.267) 5.926 15.031 ( 1.213 -7.830 -0.425) 7.935 15.242 ( 0.169 -8.663 -0.085) 8.665 15.393 ( -0.827 -1.855 -1.116) 2.317 15.554 ( -0.760 -6.754 -0.817) 6.845 16.109 ( 5.325 2.277 7.512) 9.485 16.297 ( -3.029 2.651 -5.968) 7.199 16.314 ( -3.682 6.146 -1.834) 7.396 16.707 ( 1.790 -15.211 1.341) 15.375 17.128 ( -1.223 -4.043 -0.462) 4.249 17.221 ( 0.152 -4.405 -0.534) 4.440 17.426 ( -0.513 3.018 1.218) 3.295 17.547 ( 0.954 -0.542 -0.278) 1.131 20.121 ( 0.092 -3.929 1.619) 4.250 20.329 ( -1.218 -10.835 -0.244) 10.906 20.418 ( 0.005 12.203 0.198) 12.204 20.775 ( 0.595 7.655 -0.052) 7.678 22.439 ( 1.085 -14.168 -0.323) 14.213 22.763 ( 0.032 9.189 2.077) 9.421 22.850 ( -0.028 -9.639 -1.943) 9.833 23.259 ( 0.142 10.208 -0.006) 10.209 27.755 ( 0.256 -22.926 0.523) 22.934 27.796 ( -2.911 -21.571 -1.998) 21.858 28.470 ( -1.447 23.781 -1.008) 23.847 29.276 ( 6.511 11.932 4.645) 14.364 30.818 ( -1.442 -5.441 -1.679) 5.874 30.926 ( -1.665 -7.098 -0.360) 7.300 31.090 ( -0.439 -13.985 -1.415) 14.064 31.419 ( -1.410 -0.977 0.052) 1.717 31.548 ( 0.312 -1.936 1.161) 2.279 31.629 ( -2.086 8.995 -1.949) 9.437 31.751 ( -0.985 8.879 -1.986) 9.151 32.931 ( 2.574 -5.559 0.919) 6.195 33.222 ( 0.065 6.063 -1.354) 6.213 33.361 ( -0.411 -8.253 1.353) 8.373 33.636 ( 1.835 15.974 9.987) 18.928 33.733 ( 0.469 12.708 -6.765) 14.404 35.379 ( -0.373 -0.835 0.027) 0.915 35.496 ( 0.048 -1.993 -0.307) 2.017 35.587 ( -0.429 -1.305 0.246) 1.395 36.162 ( -0.658 0.030 0.692) 0.955 36.258 ( 0.808 1.204 -0.899) 1.707 36.299 ( 0.710 -1.347 0.513) 1.607 37.115 ( -3.511 -21.263 -2.353) 21.679 38.436 ( 2.706 17.197 1.445) 17.468 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( -0.000 17.028 0.000) 17.028 1.973 ( -0.000 21.525 0.000) 21.525 2.377 ( -0.000 10.600 0.000) 10.600 2.561 ( 0.000 -24.271 -0.000) 24.271 2.606 ( 0.000 -7.831 -0.000) 7.831 3.086 ( 0.000 -6.699 -0.000) 6.699 3.099 ( -0.000 11.202 0.000) 11.202 3.148 ( -0.000 16.747 0.000) 16.747 3.461 ( -0.000 6.823 0.000) 6.823 3.572 ( -0.000 0.705 0.000) 0.705 3.686 ( 0.000 -5.751 -0.000) 5.751 3.745 ( -0.000 11.878 0.000) 11.878 3.899 ( -0.000 4.139 0.000) 4.139 4.025 ( 0.000 -0.716 -0.000) 0.716 4.045 ( 0.000 -5.113 -0.000) 5.113 4.290 ( 0.000 -7.992 -0.000) 7.992 4.426 ( 0.000 -4.437 -0.000) 4.437 4.918 ( 0.000 -4.131 -0.000) 4.131 4.957 ( -0.000 1.160 0.000) 1.160 5.007 ( 0.000 -1.589 -0.000) 1.589 5.213 ( 0.000 -3.425 -0.000) 3.425 5.341 ( 0.000 -11.528 -0.000) 11.528 5.519 ( -0.000 7.965 0.000) 7.965 5.661 ( 0.000 -4.092 -0.000) 4.092 5.722 ( -0.000 0.266 0.000) 0.266 5.959 ( -0.000 8.520 0.000) 8.520 6.044 ( -0.000 2.154 0.000) 2.154 6.270 ( 0.000 -7.700 -0.000) 7.700 6.643 ( -0.000 3.839 0.000) 3.839 6.755 ( 0.000 -5.166 -0.000) 5.166 7.699 ( -0.000 2.807 0.000) 2.807 7.902 ( 0.000 -2.624 -0.000) 2.624 7.982 ( 0.000 -1.540 -0.000) 1.540 8.697 ( -0.000 4.398 0.000) 4.398 8.966 ( -0.000 1.216 0.000) 1.216 9.053 ( 0.000 -5.456 -0.000) 5.456 9.225 ( -0.000 5.449 0.000) 5.449 9.344 ( -0.000 2.572 0.000) 2.572 9.481 ( -0.000 5.456 0.000) 5.456 9.570 ( 0.000 -9.197 -0.000) 9.197 9.909 ( -0.000 5.400 0.000) 5.400 10.006 ( 0.000 -8.317 -0.000) 8.317 10.038 ( -0.000 6.064 0.000) 6.064 10.348 ( -0.000 8.681 0.000) 8.681 10.349 ( 0.000 -4.122 -0.000) 4.122 10.687 ( -0.000 6.219 0.000) 6.219 10.823 ( 0.000 -1.519 -0.000) 1.519 11.284 ( -0.000 2.188 0.000) 2.188 11.421 ( -0.000 2.440 0.000) 2.440 11.483 ( -0.000 6.493 0.000) 6.493 11.645 ( -0.000 2.745 0.000) 2.745 11.940 ( -0.000 4.710 0.000) 4.710 12.158 ( 0.000 -6.599 -0.000) 6.599 12.182 ( 0.000 -2.759 -0.000) 2.759 12.516 ( 0.000 -3.940 -0.000) 3.940 12.616 ( 0.000 -2.498 -0.000) 2.498 12.672 ( 0.000 -12.943 -0.000) 12.943 12.763 ( -0.000 9.387 0.000) 9.387 13.183 ( -0.000 4.299 0.000) 4.299 13.520 ( 0.000 -2.386 -0.000) 2.386 13.625 ( 0.000 -12.320 -0.000) 12.320 13.799 ( -0.000 9.506 0.000) 9.506 14.294 ( -0.000 10.424 0.000) 10.424 14.635 ( 0.000 -3.833 -0.000) 3.833 15.116 ( -0.000 0.647 0.000) 0.647 15.390 ( 0.000 -2.947 -0.000) 2.947 15.421 ( 0.000 -10.725 -0.000) 10.725 15.622 ( 0.000 -0.510 -0.000) 0.510 16.062 ( -0.000 10.538 0.000) 10.538 16.222 ( -0.000 5.987 0.000) 5.987 16.235 ( 0.000 -5.844 -0.000) 5.844 17.003 ( 0.000 -15.059 -0.000) 15.059 17.186 ( 0.000 -3.406 -0.000) 3.406 17.286 ( 0.000 -2.652 -0.000) 2.652 17.338 ( -0.000 6.279 0.000) 6.279 17.544 ( -0.000 1.341 0.000) 1.341 20.201 ( -0.000 11.792 0.000) 11.792 20.231 ( 0.000 -7.837 -0.000) 7.837 20.524 ( 0.000 -11.256 -0.000) 11.256 20.640 ( -0.000 7.819 0.000) 7.819 22.566 ( -0.000 11.870 0.000) 11.870 22.691 ( 0.000 -13.063 -0.000) 13.063 23.052 ( 0.000 -11.919 -0.000) 11.919 23.056 ( -0.000 12.270 0.000) 12.270 28.033 ( -0.000 23.698 0.000) 23.698 28.128 ( 0.000 -20.502 -0.000) 20.502 28.207 ( 0.000 -24.007 -0.000) 24.007 29.130 ( -0.000 9.299 0.000) 9.299 30.883 ( 0.000 -2.203 -0.000) 2.203 31.040 ( 0.000 -5.888 -0.000) 5.888 31.257 ( 0.000 -2.191 -0.000) 2.191 31.426 ( -0.000 10.054 0.000) 10.054 31.460 ( 0.000 -3.823 -0.000) 3.823 31.574 ( 0.000 -0.611 -0.000) 0.611 31.644 ( 0.000 -0.498 -0.000) 0.498 32.915 ( -0.000 10.460 0.000) 10.460 33.086 ( -0.000 8.121 0.000) 8.121 33.383 ( 0.000 -0.078 -0.000) 0.078 33.479 ( -0.000 12.424 0.000) 12.424 33.672 ( 0.000 -9.855 -0.000) 9.855 35.382 ( -0.000 0.264 0.000) 0.264 35.518 ( 0.000 -0.390 -0.000) 0.390 35.602 ( 0.000 -0.349 -0.000) 0.349 36.157 ( -0.000 0.244 0.000) 0.244 36.240 ( -0.000 0.803 0.000) 0.803 36.347 ( 0.000 -3.167 -0.000) 3.167 37.436 ( 0.000 -15.392 -0.000) 15.392 38.170 ( -0.000 12.437 0.000) 12.437 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.624 ( 11.978 0.000 8.901) 14.923 1.772 ( 24.955 0.000 11.803) 27.606 2.167 ( 1.313 0.000 -8.401) 8.503 2.681 ( -8.513 -0.000 -4.061) 9.432 2.796 ( 20.309 0.000 9.378) 22.370 2.916 ( -0.176 -0.000 9.226) 9.228 2.973 ( 3.745 0.000 0.570) 3.788 3.029 ( -4.629 -0.000 -2.687) 5.352 3.089 ( -12.644 -0.000 10.482) 16.424 3.341 ( -3.814 -0.000 -5.592) 6.769 3.640 ( -2.466 -0.000 -5.343) 5.885 3.663 ( 3.083 0.000 0.289) 3.097 3.871 ( 1.770 0.000 -6.244) 6.490 3.887 ( 8.135 0.000 -2.948) 8.652 3.971 ( -15.666 -0.000 2.965) 15.944 4.176 ( -9.921 -0.000 -5.463) 11.326 4.240 ( -0.047 -0.000 0.332) 0.335 4.810 ( -2.014 -0.000 2.233) 3.007 4.890 ( -3.221 -0.000 -2.956) 4.372 5.040 ( 1.256 0.000 1.539) 1.987 5.124 ( 1.258 0.000 0.570) 1.382 5.452 ( 6.522 0.000 6.563) 9.253 5.679 ( -4.500 -0.000 -1.768) 4.835 5.767 ( 10.054 0.000 3.163) 10.540 5.843 ( 4.507 0.000 -2.225) 5.026 6.065 ( 6.070 0.000 -5.088) 7.920 6.202 ( -3.617 -0.000 0.956) 3.742 6.356 ( -4.943 -0.000 -2.620) 5.594 6.609 ( 4.269 0.000 0.449) 4.293 6.643 ( 0.078 0.000 -0.765) 0.769 7.823 ( 5.642 0.000 3.389) 6.582 8.091 ( 6.164 0.000 3.026) 6.866 8.353 ( -10.785 -0.000 -3.335) 11.289 8.461 ( 0.126 0.000 4.880) 4.881 8.897 ( -13.724 -0.000 -13.853) 19.500 8.939 ( -0.694 -0.000 -2.741) 2.828 9.300 ( 1.455 0.000 1.338) 1.977 9.402 ( 3.056 0.000 3.511) 4.654 9.567 ( 7.436 0.000 4.732) 8.814 9.586 ( -1.245 -0.000 -2.403) 2.707 9.817 ( 3.934 0.000 -1.754) 4.307 9.995 ( 4.631 0.000 7.082) 8.462 10.242 ( 0.896 0.000 8.336) 8.384 10.385 ( -1.002 -0.000 -0.063) 1.003 10.710 ( 2.368 0.000 2.117) 3.177 10.875 ( 5.574 0.000 -0.901) 5.646 11.135 ( 3.018 0.000 -1.054) 3.197 11.214 ( -1.778 -0.000 1.516) 2.336 11.365 ( 3.084 0.000 -0.045) 3.084 11.666 ( 5.285 0.000 -1.279) 5.437 11.833 ( -7.810 -0.000 2.916) 8.336 11.835 ( 5.513 0.000 3.974) 6.796 12.253 ( -9.237 -0.000 -8.432) 12.507 12.384 ( -2.492 -0.000 -4.083) 4.784 12.600 ( -11.492 -0.000 -5.949) 12.940 12.606 ( 11.987 0.000 2.893) 12.331 12.951 ( -0.256 -0.000 2.442) 2.456 12.980 ( -3.259 -0.000 -6.821) 7.560 13.215 ( -1.315 -0.000 5.495) 5.650 13.444 ( -3.655 -0.000 -4.734) 5.981 13.521 ( 7.063 0.000 5.110) 8.718 13.681 ( 3.102 0.000 1.808) 3.590 14.461 ( -2.175 -0.000 -0.825) 2.326 14.471 ( -7.451 -0.000 -6.590) 9.947 14.595 ( -7.396 -0.000 -6.662) 9.954 14.775 ( -2.574 -0.000 -4.855) 5.495 15.022 ( 0.388 0.000 0.151) 0.416 15.253 ( -0.066 -0.000 -0.131) 0.146 15.904 ( 1.790 0.000 7.808) 8.010 16.516 ( 2.106 0.000 3.754) 4.305 16.617 ( -2.125 -0.000 -5.559) 5.952 16.673 ( 0.748 0.000 -4.298) 4.362 16.912 ( -0.968 -0.000 0.667) 1.176 16.994 ( -1.853 -0.000 -1.275) 2.249 17.252 ( -0.074 -0.000 -0.587) 0.591 17.522 ( 3.502 0.000 2.624) 4.376 19.998 ( -4.299 -0.000 0.171) 4.303 20.078 ( 3.219 0.000 6.382) 7.148 20.921 ( 0.473 0.000 1.154) 1.247 20.972 ( -0.231 -0.000 0.571) 0.616 21.946 ( 1.179 0.000 -1.941) 2.271 22.425 ( 1.277 0.000 0.455) 1.355 23.238 ( 0.800 0.000 -0.339) 0.869 23.538 ( 0.443 0.000 0.025) 0.443 26.964 ( -0.075 -0.000 -0.004) 0.075 26.972 ( -0.070 -0.000 -0.005) 0.070 29.422 ( -0.837 -0.000 -0.475) 0.962 29.630 ( 5.511 0.000 3.262) 6.404 30.379 ( -5.469 -0.000 -4.450) 7.051 30.695 ( -3.051 -0.000 -2.217) 3.772 30.745 ( -4.203 -0.000 -3.188) 5.275 31.350 ( -5.008 -0.000 -1.590) 5.255 31.412 ( -1.077 -0.000 0.395) 1.147 32.071 ( 0.463 0.000 0.214) 0.511 32.208 ( 3.141 0.000 2.816) 4.219 32.497 ( 3.762 0.000 0.055) 3.762 32.815 ( 3.068 0.000 -0.517) 3.111 33.447 ( -3.626 -0.000 -1.612) 3.969 34.075 ( -0.959 -0.000 -1.570) 1.840 34.927 ( -6.004 -0.000 8.699) 10.569 35.314 ( -0.371 -0.000 -0.567) 0.678 35.411 ( -2.993 -0.000 3.010) 4.244 35.557 ( -0.325 -0.000 0.950) 1.004 36.036 ( -0.129 -0.000 -1.252) 1.259 36.158 ( 2.345 0.000 -4.494) 5.069 36.303 ( 4.652 0.000 -5.435) 7.154 36.339 ( -4.803 -0.000 -0.213) 4.808 38.989 ( 7.227 0.000 4.045) 8.282 ======================= Grid point 29 (19/114) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( 8.288 0.452 5.946) 10.210 1.861 ( 4.049 8.553 2.975) 9.920 2.240 ( 0.607 -9.244 -4.156) 10.154 2.646 ( 4.385 -5.405 5.135) 8.650 2.821 ( -5.015 -1.827 -4.639) 7.072 2.932 ( 0.303 0.658 2.234) 2.349 2.976 ( 6.421 5.026 6.128) 10.200 3.178 ( -2.988 7.375 -0.547) 7.976 3.224 ( -1.674 -12.006 -3.454) 12.605 3.317 ( -0.739 -21.146 4.006) 21.535 3.632 ( 3.507 -1.762 -4.330) 5.844 3.693 ( 4.125 0.441 -0.343) 4.163 3.785 ( -11.553 1.691 -0.255) 11.679 3.917 ( 1.984 0.718 1.086) 2.373 3.939 ( -1.544 -2.833 -1.538) 3.574 4.058 ( -4.447 1.879 -3.940) 6.231 4.317 ( 0.664 -5.791 0.207) 5.832 4.813 ( 0.888 -0.096 1.792) 2.003 4.881 ( -3.492 -1.565 -1.097) 3.981 5.003 ( 5.359 4.141 5.244) 8.565 5.148 ( -3.717 -0.938 -4.986) 6.289 5.471 ( -0.560 4.702 2.587) 5.396 5.683 ( -2.111 -6.997 -1.187) 7.404 5.817 ( 5.720 2.319 2.432) 6.634 5.933 ( 7.590 0.077 1.382) 7.715 6.044 ( -0.342 6.020 -1.477) 6.208 6.187 ( 1.824 -4.837 -0.468) 5.191 6.255 ( -4.759 4.864 -2.136) 7.132 6.548 ( -0.556 8.547 -0.402) 8.574 6.671 ( 2.254 -2.306 -0.060) 3.225 7.878 ( 5.196 1.778 3.320) 6.417 8.085 ( 1.017 6.300 -0.184) 6.385 8.230 ( -8.012 4.310 -3.810) 9.863 8.504 ( 2.628 -3.759 5.696) 7.313 8.763 ( -5.027 -2.760 -5.245) 7.772 8.966 ( -2.757 -4.302 -3.734) 6.328 9.208 ( -0.482 7.802 -0.187) 7.819 9.453 ( 1.851 0.328 2.439) 3.079 9.569 ( 0.587 -0.078 -1.550) 1.659 9.633 ( 2.103 -0.379 2.192) 3.061 9.834 ( -1.232 -0.785 -2.207) 2.647 10.084 ( 5.337 -1.362 5.350) 7.679 10.287 ( 0.415 0.228 2.596) 2.639 10.431 ( 0.767 -4.040 3.288) 5.264 10.601 ( 1.466 12.082 -3.258) 12.599 10.934 ( 3.862 0.052 2.449) 4.574 11.127 ( 4.741 4.211 0.369) 6.352 11.185 ( -3.230 0.589 0.748) 3.367 11.429 ( 1.366 -4.495 0.844) 4.773 11.681 ( 5.569 2.915 -2.326) 6.702 11.777 ( -4.914 1.196 2.747) 5.755 11.945 ( 5.565 -4.240 4.421) 8.276 12.160 ( -8.568 -1.259 -7.371) 11.373 12.333 ( 0.165 0.634 0.385) 0.760 12.491 ( -9.438 -1.200 -5.110) 10.799 12.544 ( 9.597 18.742 1.097) 21.085 12.815 ( -3.251 6.219 -2.286) 7.381 12.838 ( -4.306 8.523 -0.753) 9.578 13.261 ( 0.872 -2.217 4.013) 4.666 13.342 ( -1.540 1.384 -3.960) 4.468 13.642 ( 1.109 5.822 0.453) 5.944 13.817 ( 7.316 -14.636 6.384) 17.564 14.299 ( -9.217 3.226 -8.339) 12.842 14.563 ( -1.576 -13.942 -1.729) 14.137 14.765 ( 2.132 -0.683 -1.324) 2.601 14.833 ( -2.499 -22.578 0.241) 22.717 15.063 ( -1.278 -3.203 -1.966) 3.969 15.259 ( -0.667 -3.033 0.192) 3.111 16.050 ( 1.814 -9.069 5.551) 10.787 16.451 ( 2.504 8.026 0.496) 8.422 16.519 ( -2.342 6.310 -4.212) 7.939 16.583 ( -0.531 6.076 -0.588) 6.128 16.953 ( -1.400 -4.713 -0.594) 4.952 17.044 ( -0.151 -5.298 0.085) 5.301 17.320 ( -0.264 -6.449 -0.362) 6.465 17.551 ( 1.661 0.368 1.165) 2.062 20.019 ( -2.236 -5.135 0.085) 5.601 20.110 ( 1.454 1.518 3.202) 3.830 20.814 ( 0.203 9.146 0.465) 9.160 20.987 ( -0.026 1.877 0.311) 1.903 22.008 ( 0.610 -7.200 -0.975) 7.291 22.499 ( 0.607 -6.680 0.248) 6.712 23.152 ( 0.664 8.937 -0.026) 8.962 23.512 ( 0.279 3.473 0.047) 3.484 27.071 ( 0.179 -11.878 0.236) 11.882 27.107 ( -1.080 -13.979 -0.712) 14.038 29.235 ( -1.180 16.942 -0.586) 16.993 29.635 ( 3.817 5.650 2.292) 7.193 30.482 ( -2.169 -14.900 -2.169) 15.212 30.680 ( -1.726 -1.710 -1.087) 2.662 30.735 ( -2.612 -3.381 -2.079) 4.752 31.334 ( -2.582 -2.176 -0.811) 3.472 31.436 ( -0.492 -2.937 0.444) 3.011 31.979 ( 0.550 8.847 0.114) 8.865 32.143 ( 1.274 9.617 0.834) 9.737 32.608 ( 1.922 -8.637 0.171) 8.850 32.938 ( 1.726 -10.157 0.146) 10.303 33.395 ( -2.169 2.415 -0.960) 3.385 34.013 ( -0.701 5.377 -0.616) 5.458 34.641 ( 0.405 26.956 4.520) 27.335 35.325 ( -0.630 -1.530 -0.015) 1.655 35.419 ( -0.401 -1.452 0.159) 1.514 35.548 ( -0.390 0.020 0.547) 0.672 36.149 ( -2.011 -0.788 4.239) 4.757 36.259 ( 3.717 -11.067 -3.590) 12.214 36.299 ( 2.177 0.800 -2.571) 3.462 36.335 ( -5.575 -10.205 -2.533) 11.901 38.964 ( 3.694 9.327 2.055) 10.240 ======================= Grid point 30 (20/114) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.748 ( 0.000 -5.563 -0.000) 5.563 1.887 ( 0.000 -3.906 -0.000) 3.906 2.322 ( -0.000 0.419 0.000) 0.419 2.727 ( 0.000 -3.576 -0.000) 3.576 2.807 ( -0.000 13.783 0.000) 13.783 2.847 ( -0.000 11.886 0.000) 11.886 3.004 ( 0.000 -10.982 -0.000) 10.982 3.225 ( 0.000 -18.289 -0.000) 18.289 3.437 ( 0.000 -9.805 -0.000) 9.805 3.637 ( -0.000 3.674 0.000) 3.674 3.644 ( 0.000 -5.171 -0.000) 5.171 3.713 ( 0.000 -2.177 -0.000) 2.177 3.733 ( 0.000 -7.925 -0.000) 7.925 3.941 ( 0.000 -2.762 -0.000) 2.762 3.998 ( 0.000 -4.322 -0.000) 4.322 4.007 ( 0.000 -0.280 -0.000) 0.280 4.421 ( 0.000 -4.479 -0.000) 4.479 4.854 ( 0.000 -1.487 -0.000) 1.487 4.873 ( 0.000 -0.862 -0.000) 0.862 4.990 ( -0.000 1.978 0.000) 1.978 5.124 ( 0.000 -2.657 -0.000) 2.657 5.350 ( -0.000 8.194 0.000) 8.194 5.773 ( -0.000 13.893 0.000) 13.893 5.795 ( -0.000 2.622 0.000) 2.622 5.855 ( 0.000 -10.651 -0.000) 10.651 6.023 ( -0.000 14.020 0.000) 14.020 6.060 ( 0.000 -3.769 -0.000) 3.769 6.343 ( -0.000 12.655 0.000) 12.655 6.408 ( 0.000 -12.860 -0.000) 12.860 6.710 ( 0.000 -0.546 -0.000) 0.546 7.875 ( -0.000 1.462 0.000) 1.462 7.928 ( -0.000 9.627 0.000) 9.627 8.067 ( -0.000 6.236 0.000) 6.236 8.666 ( 0.000 -6.365 -0.000) 6.365 8.819 ( 0.000 -6.716 -0.000) 6.716 8.987 ( -0.000 0.993 0.000) 0.993 9.147 ( 0.000 -4.537 -0.000) 4.537 9.441 ( -0.000 1.992 0.000) 1.992 9.545 ( -0.000 4.106 0.000) 4.106 9.640 ( -0.000 0.690 0.000) 0.690 9.810 ( -0.000 0.197 0.000) 0.197 10.170 ( 0.000 -3.439 -0.000) 3.439 10.271 ( -0.000 2.512 0.000) 2.512 10.316 ( -0.000 16.451 0.000) 16.451 10.513 ( 0.000 -0.918 -0.000) 0.918 10.912 ( -0.000 4.092 0.000) 4.092 11.015 ( -0.000 9.282 0.000) 9.282 11.221 ( 0.000 -4.111 -0.000) 4.111 11.546 ( 0.000 -6.481 -0.000) 6.481 11.601 ( -0.000 6.241 0.000) 6.241 11.757 ( -0.000 1.132 0.000) 1.132 12.055 ( -0.000 0.035 0.000) 0.035 12.142 ( 0.000 -6.300 -0.000) 6.300 12.182 ( -0.000 17.021 0.000) 17.021 12.360 ( -0.000 2.580 0.000) 2.580 12.473 ( 0.000 -3.315 -0.000) 3.315 12.618 ( -0.000 8.878 0.000) 8.878 12.834 ( 0.000 -4.719 -0.000) 4.719 13.311 ( 0.000 -2.919 -0.000) 2.919 13.340 ( 0.000 -1.726 -0.000) 1.726 13.510 ( -0.000 7.433 0.000) 7.433 14.113 ( -0.000 7.518 0.000) 7.518 14.194 ( 0.000 -17.617 -0.000) 17.617 14.701 ( -0.000 8.735 0.000) 8.735 14.833 ( 0.000 -14.611 -0.000) 14.611 15.110 ( 0.000 -5.472 -0.000) 5.472 15.219 ( 0.000 -17.314 -0.000) 17.314 15.382 ( 0.000 -9.719 -0.000) 9.719 16.208 ( 0.000 -1.558 -0.000) 1.558 16.316 ( -0.000 7.034 0.000) 7.034 16.442 ( -0.000 8.189 0.000) 8.189 16.475 ( 0.000 -7.859 -0.000) 7.859 17.038 ( 0.000 -5.202 -0.000) 5.202 17.139 ( 0.000 -4.917 -0.000) 4.917 17.421 ( 0.000 -3.980 -0.000) 3.980 17.548 ( -0.000 0.724 0.000) 0.724 20.099 ( -0.000 0.343 0.000) 0.343 20.141 ( 0.000 -8.991 -0.000) 8.991 20.631 ( -0.000 11.317 0.000) 11.317 20.906 ( -0.000 6.540 0.000) 6.540 22.193 ( 0.000 -12.934 -0.000) 12.934 22.653 ( 0.000 -9.858 -0.000) 9.858 22.969 ( -0.000 11.138 0.000) 11.138 23.417 ( -0.000 7.230 0.000) 7.230 27.367 ( 0.000 -20.103 -0.000) 20.103 27.407 ( 0.000 -19.676 -0.000) 19.676 28.872 ( -0.000 21.933 0.000) 21.933 29.512 ( -0.000 10.218 0.000) 10.218 30.721 ( 0.000 -3.985 -0.000) 3.985 30.779 ( 0.000 -18.253 -0.000) 18.253 30.800 ( 0.000 -5.786 -0.000) 5.786 31.368 ( 0.000 -2.747 -0.000) 2.747 31.500 ( 0.000 -3.677 -0.000) 3.677 31.804 ( -0.000 10.511 0.000) 10.511 31.946 ( -0.000 12.105 0.000) 12.105 32.790 ( 0.000 -10.008 -0.000) 10.008 33.155 ( 0.000 -12.478 -0.000) 12.478 33.319 ( -0.000 4.700 0.000) 4.700 33.876 ( -0.000 9.144 0.000) 9.144 34.144 ( -0.000 28.858 0.000) 28.858 35.353 ( 0.000 -1.739 -0.000) 1.739 35.453 ( 0.000 -2.387 -0.000) 2.387 35.561 ( 0.000 -1.312 -0.000) 1.312 36.159 ( 0.000 -0.310 -0.000) 0.310 36.282 ( -0.000 1.248 0.000) 1.248 36.291 ( 0.000 -0.096 -0.000) 0.096 36.689 ( 0.000 -23.490 -0.000) 23.490 38.753 ( -0.000 15.739 0.000) 15.739 ======================= Grid point 39 (21/114) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.127 ( 0.000 0.000 0.000) 0.000 2.517 ( 0.000 0.000 -0.000) 0.000 2.960 ( 0.000 0.000 0.000) 0.000 2.974 ( -0.000 -0.000 0.000) 0.000 2.980 ( 0.000 0.000 -0.000) 0.000 3.025 ( 0.000 0.000 -0.000) 0.000 3.071 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.631 ( 0.000 0.000 0.000) 0.000 3.710 ( -0.000 -0.000 0.000) 0.000 3.735 ( 0.000 0.000 -0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 3.952 ( -0.000 -0.000 0.000) 0.000 4.036 ( 0.000 0.000 0.000) 0.000 4.265 ( 0.000 0.000 0.000) 0.000 4.812 ( -0.000 -0.000 0.000) 0.000 4.853 ( 0.000 0.000 0.000) 0.000 5.080 ( 0.000 0.000 0.000) 0.000 5.131 ( -0.000 -0.000 0.000) 0.000 5.519 ( 0.000 0.000 0.000) 0.000 5.601 ( 0.000 0.000 0.000) 0.000 5.871 ( 0.000 0.000 0.000) 0.000 5.915 ( 0.000 0.000 0.000) 0.000 6.133 ( -0.000 -0.000 0.000) 0.000 6.142 ( 0.000 0.000 -0.000) 0.000 6.291 ( 0.000 0.000 0.000) 0.000 6.630 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 7.944 ( 0.000 0.000 0.000) 0.000 8.183 ( 0.000 0.000 0.000) 0.000 8.197 ( 0.000 0.000 0.000) 0.000 8.471 ( 0.000 0.000 0.000) 0.000 8.693 ( 0.000 0.000 0.000) 0.000 8.916 ( 0.000 0.000 0.000) 0.000 9.319 ( 0.000 0.000 0.000) 0.000 9.478 ( 0.000 0.000 0.000) 0.000 9.513 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 10.111 ( 0.000 0.000 0.000) 0.000 10.334 ( 0.000 0.000 0.000) 0.000 10.344 ( 0.000 0.000 -0.000) 0.000 10.726 ( 0.000 0.000 0.000) 0.000 10.959 ( 0.000 0.000 0.000) 0.000 11.148 ( 0.000 0.000 0.000) 0.000 11.222 ( 0.000 0.000 0.000) 0.000 11.396 ( 0.000 0.000 0.000) 0.000 11.739 ( -0.000 -0.000 0.000) 0.000 11.751 ( 0.000 0.000 -0.000) 0.000 11.957 ( -0.000 -0.000 -0.000) 0.000 12.098 ( 0.000 0.000 0.000) 0.000 12.319 ( 0.000 0.000 0.000) 0.000 12.382 ( 0.000 0.000 0.000) 0.000 12.778 ( -0.000 -0.000 0.000) 0.000 12.866 ( 0.000 0.000 0.000) 0.000 12.977 ( 0.000 0.000 0.000) 0.000 13.248 ( 0.000 0.000 0.000) 0.000 13.375 ( 0.000 0.000 0.000) 0.000 13.653 ( 0.000 0.000 0.000) 0.000 13.710 ( -0.000 -0.000 0.000) 0.000 14.274 ( 0.000 0.000 0.000) 0.000 14.439 ( 0.000 0.000 0.000) 0.000 14.537 ( 0.000 0.000 0.000) 0.000 14.748 ( 0.000 0.000 0.000) 0.000 15.027 ( 0.000 0.000 0.000) 0.000 15.251 ( 0.000 0.000 0.000) 0.000 15.977 ( 0.000 0.000 0.000) 0.000 16.557 ( 0.000 0.000 0.000) 0.000 16.568 ( 0.000 0.000 0.000) 0.000 16.641 ( 0.000 0.000 0.000) 0.000 16.908 ( 0.000 0.000 0.000) 0.000 16.973 ( 0.000 0.000 0.000) 0.000 17.248 ( 0.000 0.000 0.000) 0.000 17.565 ( 0.000 0.000 0.000) 0.000 19.964 ( 0.000 0.000 0.000) 0.000 20.143 ( 0.000 0.000 0.000) 0.000 20.931 ( 0.000 0.000 0.000) 0.000 20.974 ( 0.000 0.000 0.000) 0.000 21.944 ( 0.000 0.000 0.000) 0.000 22.438 ( 0.000 0.000 0.000) 0.000 23.243 ( 0.000 0.000 0.000) 0.000 23.543 ( 0.000 0.000 0.000) 0.000 26.963 ( 0.000 0.000 0.000) 0.000 26.972 ( 0.000 0.000 0.000) 0.000 29.408 ( 0.000 0.000 0.000) 0.000 29.698 ( 0.000 0.000 0.000) 0.000 30.311 ( 0.000 0.000 0.000) 0.000 30.657 ( 0.000 0.000 0.000) 0.000 30.688 ( 0.000 0.000 0.000) 0.000 31.301 ( 0.000 0.000 0.000) 0.000 31.406 ( 0.000 0.000 0.000) 0.000 32.076 ( 0.000 0.000 0.000) 0.000 32.250 ( 0.000 0.000 0.000) 0.000 32.527 ( 0.000 0.000 0.000) 0.000 32.838 ( 0.000 0.000 0.000) 0.000 33.406 ( 0.000 0.000 0.000) 0.000 34.057 ( 0.000 0.000 0.000) 0.000 34.930 ( 0.000 0.000 0.000) 0.000 35.307 ( 0.000 0.000 0.000) 0.000 35.404 ( 0.000 0.000 -0.000) 0.000 35.560 ( 0.000 0.000 0.000) 0.000 36.031 ( 0.000 0.000 0.000) 0.000 36.150 ( -0.000 -0.000 0.000) 0.000 36.297 ( 0.000 0.000 0.000) 0.000 36.308 ( 0.000 0.000 -0.000) 0.000 39.071 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 69 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 10.734 0.000 23.166) 25.531 0.664 ( 6.737 0.000 30.187) 30.929 1.097 ( 7.345 0.000 47.913) 48.473 2.172 ( -2.957 -0.000 -9.808) 10.244 2.255 ( 5.164 0.000 9.959) 11.218 2.765 ( 5.285 0.000 3.068) 6.111 2.961 ( -2.234 -0.000 3.571) 4.212 3.178 ( -1.921 -0.000 -8.481) 8.696 3.560 ( 2.646 0.000 2.793) 3.848 3.608 ( 4.295 0.000 -2.146) 4.801 3.628 ( -0.399 -0.000 -1.630) 1.678 3.714 ( -1.293 -0.000 -3.211) 3.462 3.922 ( 3.627 0.000 -2.987) 4.699 4.109 ( -1.029 -0.000 -9.226) 9.283 4.144 ( 1.432 0.000 -5.798) 5.972 4.344 ( -1.486 -0.000 1.893) 2.406 4.645 ( -0.290 -0.000 11.016) 11.020 4.791 ( 2.811 0.000 2.541) 3.789 5.001 ( -17.861 -0.000 0.612) 17.871 5.003 ( 2.830 0.000 -0.903) 2.970 5.254 ( -3.397 -0.000 -3.365) 4.781 5.345 ( -5.127 -0.000 -7.578) 9.149 5.537 ( -2.578 -0.000 -0.069) 2.579 5.747 ( -15.896 -0.000 -6.594) 17.209 5.857 ( 1.802 0.000 -5.985) 6.250 5.975 ( 2.438 0.000 -0.187) 2.446 6.036 ( 7.440 0.000 8.993) 11.672 6.391 ( 2.530 0.000 -0.828) 2.662 6.634 ( -1.435 -0.000 -1.307) 1.941 6.682 ( -4.761 -0.000 -4.018) 6.230 7.790 ( 7.310 0.000 11.475) 13.606 8.216 ( -16.395 -0.000 -8.821) 18.617 8.397 ( -3.332 -0.000 -2.224) 4.006 8.512 ( 5.174 0.000 4.396) 6.789 8.866 ( 1.028 0.000 4.913) 5.019 8.971 ( -1.846 -0.000 -0.103) 1.849 9.137 ( 6.417 0.000 1.643) 6.623 9.177 ( 2.775 0.000 -2.674) 3.854 9.488 ( -1.426 -0.000 7.518) 7.652 9.576 ( -2.917 -0.000 -8.661) 9.139 9.669 ( -1.511 -0.000 -7.224) 7.381 9.962 ( 11.671 0.000 6.137) 13.186 10.322 ( 3.377 0.000 0.128) 3.379 10.362 ( 0.529 0.000 1.054) 1.180 10.543 ( -1.304 -0.000 10.274) 10.356 10.962 ( -7.985 -0.000 -12.045) 14.452 11.118 ( -8.772 -0.000 -5.723) 10.474 11.249 ( 0.754 0.000 -0.599) 0.963 11.442 ( -8.328 -0.000 -0.278) 8.333 11.533 ( 6.289 0.000 9.312) 11.237 11.612 ( 1.186 0.000 -6.859) 6.961 11.692 ( -0.447 -0.000 3.363) 3.392 12.147 ( 4.063 0.000 4.363) 5.962 12.495 ( 6.897 0.000 3.304) 7.648 12.543 ( 2.253 0.000 -0.094) 2.255 12.724 ( -14.111 -0.000 0.362) 14.115 12.921 ( -0.810 -0.000 -0.799) 1.138 12.977 ( 6.332 0.000 -6.337) 8.958 13.395 ( 2.689 0.000 5.854) 6.442 13.421 ( 0.322 0.000 -1.680) 1.711 13.643 ( -0.768 -0.000 -6.273) 6.320 13.671 ( -3.398 -0.000 -5.517) 6.479 14.547 ( 2.318 0.000 -2.149) 3.161 14.568 ( 3.011 0.000 -0.181) 3.016 14.684 ( 44.656 0.000 4.282) 44.861 14.757 ( -4.230 -0.000 3.545) 5.519 15.126 ( 2.387 0.000 -2.735) 3.630 15.131 ( 1.834 0.000 1.397) 2.306 15.805 ( 29.056 0.000 5.611) 29.593 16.249 ( -11.540 -0.000 -2.114) 11.732 16.653 ( 1.512 0.000 0.360) 1.555 16.730 ( -0.761 -0.000 -3.144) 3.235 16.953 ( -0.617 -0.000 0.143) 0.634 17.080 ( 1.700 0.000 -5.331) 5.595 17.225 ( 3.214 0.000 3.456) 4.720 17.345 ( -5.348 -0.000 3.495) 6.389 19.800 ( 3.806 0.000 5.834) 6.966 20.188 ( -2.825 -0.000 -0.527) 2.874 20.884 ( 0.087 0.000 1.996) 1.998 21.057 ( -4.197 -0.000 -0.037) 4.198 21.996 ( -12.593 -0.000 1.760) 12.715 22.325 ( 2.365 0.000 -2.246) 3.262 23.218 ( -2.150 -0.000 1.756) 2.776 23.525 ( 0.877 0.000 -2.499) 2.648 26.969 ( -0.034 -0.000 0.109) 0.115 26.976 ( 0.003 0.000 -0.046) 0.047 29.384 ( -0.268 -0.000 1.153) 1.184 29.414 ( -1.028 -0.000 0.672) 1.228 30.828 ( -2.984 -0.000 0.420) 3.014 30.934 ( 3.419 0.000 -3.070) 4.595 30.952 ( -6.678 -0.000 4.245) 7.913 31.268 ( 96.093 0.000 3.388) 96.153 31.526 ( -5.681 -0.000 0.930) 5.757 31.698 ( -2.117 -0.000 -5.367) 5.769 31.949 ( 3.085 0.000 3.583) 4.728 32.138 ( 3.239 0.000 2.815) 4.291 32.707 ( -0.564 -0.000 0.343) 0.660 32.864 ( 51.221 0.000 -1.326) 51.239 33.634 ( -1.532 -0.000 -0.128) 1.538 34.089 ( 1.686 0.000 -6.590) 6.802 35.340 ( -1.209 -0.000 1.459) 1.895 35.502 ( 1.972 0.000 -1.047) 2.233 35.597 ( -0.937 -0.000 2.926) 3.073 36.096 ( 0.889 0.000 -5.483) 5.555 36.282 ( 0.510 0.000 3.686) 3.721 36.577 ( -1.799 -0.000 1.588) 2.400 38.172 ( -86.856 -0.000 0.236) 86.857 38.440 ( 10.261 0.000 -4.336) 11.140 ======================= Grid point 70 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 8.379 -14.644 25.486) 30.565 1.170 ( 7.339 -37.008 13.986) 40.237 1.570 ( 25.203 -10.558 35.125) 44.502 2.184 ( -2.053 -6.977 -10.041) 12.398 2.450 ( 12.599 -12.564 0.287) 17.796 2.795 ( 3.462 4.640 10.177) 11.709 2.851 ( -0.921 8.264 4.633) 9.519 3.066 ( 1.489 5.848 -7.654) 9.746 3.537 ( -3.252 2.227 -4.325) 5.852 3.559 ( -4.925 5.218 0.718) 7.211 3.611 ( 5.977 2.052 -1.720) 6.549 3.654 ( 1.936 0.771 -2.227) 3.050 3.963 ( -1.233 2.251 -3.308) 4.186 4.015 ( -6.054 -5.419 -9.174) 12.255 4.135 ( -1.014 0.969 -0.636) 1.540 4.378 ( -4.307 -2.679 -3.325) 6.065 4.710 ( -8.830 -1.393 9.282) 12.887 4.852 ( 0.886 0.959 2.191) 2.551 4.980 ( -5.912 -7.077 -1.966) 9.429 5.058 ( 6.131 -1.534 2.712) 6.878 5.260 ( -2.337 -1.516 -4.224) 5.060 5.324 ( 3.786 -7.204 -1.788) 8.332 5.521 ( -4.135 -0.459 -2.704) 4.962 5.554 ( -9.308 -0.719 -4.667) 10.437 5.848 ( 2.991 2.022 -3.004) 4.697 5.949 ( 2.127 4.675 -2.351) 5.648 6.116 ( 4.322 1.438 9.366) 10.415 6.426 ( 3.534 -1.886 -1.145) 4.166 6.555 ( -3.232 5.212 -2.142) 6.496 6.623 ( -3.783 0.843 -4.889) 6.239 7.877 ( 0.008 3.122 4.608) 5.566 7.985 ( -4.100 2.639 1.014) 4.980 8.317 ( -1.823 4.957 0.571) 5.313 8.551 ( 0.479 0.736 1.791) 1.994 8.922 ( 3.849 2.043 3.341) 5.491 9.020 ( 4.992 -4.028 1.274) 6.539 9.180 ( 3.468 -0.700 1.178) 3.728 9.249 ( 5.199 -3.513 -0.978) 6.351 9.458 ( -2.376 1.836 -1.812) 3.507 9.567 ( -1.590 -0.861 -3.423) 3.871 9.656 ( 1.220 -4.334 -1.630) 4.789 10.092 ( 10.010 -1.486 2.922) 10.533 10.171 ( -7.394 7.707 4.347) 11.531 10.346 ( -3.354 2.575 -0.161) 4.231 10.557 ( 0.523 3.983 8.763) 9.639 10.872 ( 5.609 5.222 -6.244) 9.885 11.035 ( -10.047 -1.319 -4.356) 11.030 11.256 ( 0.872 0.122 -0.188) 0.900 11.369 ( -4.442 0.819 1.090) 4.647 11.552 ( 2.618 1.390 -0.305) 2.980 11.610 ( 11.438 4.709 0.566) 12.382 11.716 ( 1.605 2.140 3.363) 4.297 12.132 ( -3.301 1.634 4.640) 5.925 12.442 ( 3.265 6.493 4.783) 8.700 12.533 ( 2.378 3.009 0.146) 3.838 12.670 ( 0.046 -0.804 -0.905) 1.211 12.880 ( -1.281 2.736 -1.007) 3.184 12.943 ( 1.666 4.623 -7.022) 8.570 13.280 ( -3.162 2.590 5.993) 7.254 13.512 ( -0.996 -0.631 -0.097) 1.183 13.545 ( 1.835 1.569 -2.298) 3.333 13.682 ( -3.960 -5.778 -7.476) 10.245 14.422 ( 10.436 7.102 4.947) 13.558 14.565 ( 0.712 -0.629 0.633) 1.141 14.762 ( -1.232 -8.229 4.319) 9.375 15.103 ( -3.059 -5.009 -3.227) 6.698 15.281 ( 1.114 -9.724 -3.288) 10.326 15.434 ( -3.313 -21.703 -9.405) 23.884 16.024 ( 8.338 3.893 -0.163) 9.204 16.132 ( -1.408 2.358 -2.891) 3.988 16.649 ( -1.770 5.872 -3.439) 7.031 16.803 ( -0.655 -10.606 -13.245) 16.981 16.985 ( 0.809 -5.818 -0.427) 5.890 17.141 ( 0.496 -6.192 -4.466) 7.650 17.316 ( 4.639 -3.218 3.785) 6.797 17.368 ( -1.809 -5.648 1.048) 6.023 19.893 ( 3.868 -2.477 6.735) 8.152 20.172 ( -0.488 -2.357 -2.652) 3.582 20.816 ( -0.772 8.203 2.814) 8.706 20.996 ( -1.194 4.171 0.643) 4.386 21.996 ( -4.294 -6.089 2.842) 7.974 22.409 ( 2.930 -7.788 -2.175) 8.601 23.138 ( -3.241 6.463 1.842) 7.462 23.498 ( 0.655 3.287 -3.673) 4.972 27.058 ( 0.031 -10.280 0.589) 10.297 27.389 ( -9.132 -35.472 -17.449) 40.572 29.276 ( 1.587 12.847 2.429) 13.171 29.323 ( 0.869 10.040 0.458) 10.088 30.825 ( -0.983 -1.754 -1.686) 2.624 30.939 ( -7.941 -3.896 0.901) 8.891 30.957 ( -5.999 -5.140 0.197) 7.902 31.372 ( 11.145 6.434 6.509) 14.421 31.696 ( -5.289 -4.318 -6.492) 9.421 31.742 ( 15.156 4.923 -3.583) 16.334 32.010 ( 1.512 6.748 1.939) 7.182 32.194 ( 21.956 -6.252 -3.617) 23.113 32.811 ( 1.991 -9.713 0.621) 9.935 33.221 ( 55.366 8.890 -9.309) 56.843 33.595 ( -2.788 2.333 -0.253) 3.644 34.027 ( 1.838 4.031 -7.281) 8.523 35.358 ( -0.925 -1.870 1.579) 2.617 35.491 ( 0.216 1.275 0.805) 1.524 35.615 ( -1.310 -0.972 3.096) 3.500 36.092 ( 1.694 -1.383 -3.902) 4.473 36.347 ( -1.536 -3.578 2.859) 4.831 36.539 ( -5.137 2.543 2.384) 6.208 37.431 ( -59.888 8.328 20.134) 63.728 38.456 ( 12.952 6.881 -2.085) 14.814 ======================= Grid point 71 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( 6.865 -18.431 21.342) 29.022 1.824 ( -0.932 -23.938 11.977) 26.783 2.103 ( 20.157 -6.072 14.964) 25.828 2.271 ( 2.725 -11.692 -7.405) 14.105 2.763 ( -1.937 2.845 7.707) 8.440 2.856 ( 2.948 -3.595 3.016) 5.542 2.899 ( 10.281 -19.592 -1.864) 22.204 2.967 ( 8.146 -3.478 -4.445) 9.910 3.430 ( 0.172 4.790 -4.213) 6.382 3.467 ( 1.073 2.078 -4.573) 5.136 3.581 ( 4.266 3.828 -4.287) 7.157 3.658 ( 1.856 1.290 0.284) 2.278 3.802 ( -2.043 6.289 -5.245) 8.440 4.015 ( -12.481 2.175 0.306) 12.673 4.092 ( -0.450 -1.118 -1.574) 1.982 4.358 ( -1.399 -0.915 -4.257) 4.574 4.654 ( -12.224 4.089 6.035) 14.233 4.869 ( -2.308 -3.168 5.036) 6.382 4.893 ( -4.661 3.833 -5.190) 7.959 5.106 ( 3.746 3.448 -0.389) 5.106 5.313 ( -1.623 -1.317 -1.724) 2.709 5.384 ( 1.289 -1.037 -3.178) 3.583 5.518 ( -7.244 -9.508 -0.879) 11.985 5.723 ( 6.753 -7.474 -0.154) 10.074 5.797 ( 3.029 3.943 0.866) 5.047 5.846 ( 1.656 3.417 -1.710) 4.165 6.159 ( 2.448 2.635 10.327) 10.936 6.390 ( -5.438 6.730 -4.064) 9.559 6.486 ( -0.348 -1.925 -1.802) 2.659 6.536 ( -0.102 1.436 -6.078) 6.246 7.811 ( -1.838 0.031 0.344) 1.870 8.008 ( 0.008 0.158 0.526) 0.550 8.267 ( 5.671 4.165 8.341) 10.913 8.492 ( -4.543 3.374 -3.832) 6.834 8.904 ( -2.766 -0.685 0.849) 2.973 9.122 ( 5.091 -0.404 2.414) 5.649 9.224 ( -0.725 0.739 1.709) 1.998 9.368 ( 10.903 -4.153 -1.477) 11.760 9.432 ( -3.004 -3.374 -3.657) 5.812 9.505 ( 0.401 2.395 -2.296) 3.342 9.811 ( 3.848 -7.596 2.361) 8.836 10.036 ( -6.533 3.998 3.746) 8.526 10.136 ( 1.567 7.218 -0.390) 7.397 10.246 ( 1.734 2.157 -0.430) 2.801 10.521 ( -0.911 3.258 2.909) 4.462 10.777 ( 4.753 6.918 -1.193) 8.478 10.958 ( -6.814 1.349 0.462) 6.962 11.285 ( 1.402 -2.174 2.202) 3.398 11.373 ( -0.666 0.110 5.434) 5.476 11.564 ( 8.542 4.567 -1.836) 9.858 11.613 ( 9.042 1.524 2.095) 9.406 11.685 ( -1.575 -0.958 -2.969) 3.494 12.181 ( -3.549 -7.124 1.416) 8.084 12.400 ( 1.489 3.832 3.251) 5.241 12.465 ( -0.452 5.066 -1.718) 5.368 12.602 ( -4.031 4.095 -5.394) 7.881 12.776 ( -5.237 5.245 -5.364) 9.149 12.836 ( 4.565 5.179 0.875) 6.958 13.266 ( -1.507 1.917 5.398) 5.923 13.502 ( -0.687 -0.316 -0.828) 1.121 13.593 ( 5.402 -3.612 0.986) 6.572 13.722 ( -4.260 -6.701 -7.520) 10.936 14.458 ( 9.616 3.878 7.828) 12.991 14.617 ( -0.723 -4.507 0.599) 4.604 14.926 ( -2.280 -8.241 2.112) 8.808 15.173 ( -2.782 -5.597 -3.057) 6.958 15.360 ( -5.485 -5.527 -5.583) 9.581 15.616 ( -4.972 -8.519 -7.561) 12.428 15.982 ( 3.938 4.763 4.205) 7.475 16.145 ( 4.171 -5.053 5.381) 8.479 16.481 ( -1.949 7.858 -3.359) 8.765 16.818 ( -5.811 -3.348 -12.629) 14.300 17.076 ( -0.985 -4.103 1.356) 4.432 17.201 ( -1.571 -4.200 -4.024) 6.025 17.417 ( 3.492 -2.556 2.001) 4.768 17.477 ( -0.862 -4.430 0.499) 4.540 20.007 ( 2.206 -3.562 5.716) 7.087 20.234 ( 1.012 -5.939 -4.893) 7.762 20.651 ( -1.757 10.280 3.139) 10.891 20.879 ( 0.927 8.443 -1.111) 8.567 22.157 ( -0.995 -11.787 2.367) 12.064 22.595 ( 2.838 -11.316 -2.415) 11.914 22.989 ( -3.989 7.855 2.108) 9.058 23.385 ( 1.307 7.457 -3.026) 8.153 27.330 ( 0.528 -18.431 2.499) 18.607 27.760 ( -11.177 -26.522 -16.317) 33.084 28.986 ( -2.387 19.808 0.077) 19.952 29.116 ( 7.341 16.502 3.105) 18.326 30.850 ( -1.760 -3.510 -1.341) 4.149 30.992 ( -4.458 -7.537 -1.872) 8.955 31.018 ( -9.230 -7.308 1.061) 11.820 31.433 ( 3.908 -1.284 6.282) 7.509 31.611 ( -3.510 5.114 -0.979) 6.279 31.759 ( 2.942 1.036 -3.941) 5.026 31.856 ( 3.440 7.455 -2.300) 8.526 32.459 ( 18.610 -6.206 -4.485) 20.124 33.034 ( 3.072 -11.406 0.760) 11.837 33.318 ( 27.108 10.759 -0.991) 29.182 33.516 ( -2.786 3.592 0.614) 4.587 33.897 ( 1.507 7.214 -7.251) 10.339 35.399 ( -1.206 -2.012 2.366) 3.331 35.491 ( -0.805 -1.024 1.439) 1.941 35.643 ( -2.388 -1.386 4.058) 4.909 36.102 ( 1.528 0.042 -2.632) 3.044 36.379 ( -4.010 -0.327 2.526) 4.751 36.447 ( -8.953 3.486 7.965) 12.480 37.220 ( -23.924 -9.649 3.666) 26.055 38.370 ( 13.218 12.849 -1.100) 18.467 ======================= Grid point 72 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 4.999 -15.770 15.373) 22.583 2.095 ( -9.293 -7.386 -2.284) 12.088 2.294 ( 10.333 4.182 3.787) 11.773 2.467 ( 4.316 -8.348 -1.105) 9.462 2.681 ( -10.510 0.252 -2.190) 10.738 2.942 ( 2.571 -6.413 8.080) 10.631 3.153 ( 5.584 -3.501 -3.772) 7.594 3.265 ( 0.707 -3.985 -6.567) 7.714 3.322 ( 2.651 7.839 -0.143) 8.277 3.443 ( 7.651 -5.742 -6.722) 11.692 3.612 ( 6.509 4.417 -4.656) 9.141 3.668 ( 7.994 -11.687 -3.862) 14.677 3.739 ( 4.488 -0.894 -2.702) 5.314 3.832 ( -10.626 4.208 5.160) 12.540 4.119 ( -2.661 -2.172 3.812) 5.131 4.364 ( 2.947 -1.731 -5.186) 6.211 4.481 ( -12.978 6.219 7.548) 16.251 4.802 ( 1.755 2.406 -2.514) 3.897 4.956 ( -3.012 -3.227 5.843) 7.323 5.062 ( 6.694 3.910 -1.881) 7.977 5.276 ( -1.243 -1.326 -3.323) 3.788 5.382 ( -3.828 4.369 0.241) 5.814 5.526 ( -2.256 -0.252 -1.644) 2.803 5.693 ( -3.785 2.583 0.974) 4.685 5.844 ( 5.088 -1.256 1.094) 5.353 5.911 ( 0.362 -0.640 -0.168) 0.755 6.170 ( 0.856 6.262 6.050) 8.749 6.248 ( -4.760 -0.880 -0.034) 4.841 6.427 ( -2.092 -1.331 -4.270) 4.937 6.587 ( 4.267 -3.154 -1.697) 5.571 7.831 ( 0.512 -0.139 1.279) 1.385 7.955 ( -5.160 0.834 -6.693) 8.492 8.294 ( 0.608 4.290 4.502) 6.248 8.403 ( 2.345 -0.700 3.278) 4.091 8.929 ( -1.819 -2.860 -0.953) 3.521 9.140 ( -1.677 3.363 -1.581) 4.077 9.176 ( 1.284 1.214 2.301) 2.902 9.448 ( 3.037 -3.264 -2.296) 5.015 9.454 ( -0.712 -0.182 -1.019) 1.256 9.562 ( 7.090 -2.805 0.713) 7.658 9.864 ( 2.894 7.633 -1.321) 8.270 9.909 ( -8.017 5.020 3.390) 10.048 10.120 ( 5.235 -7.251 1.446) 9.059 10.260 ( 0.598 -1.782 -3.533) 4.002 10.445 ( -3.314 4.650 0.596) 5.742 10.710 ( 5.288 4.956 1.531) 7.407 10.899 ( -3.492 1.450 2.468) 4.515 11.339 ( -1.612 -1.121 1.690) 2.591 11.384 ( 0.957 2.627 6.639) 7.204 11.505 ( 8.238 7.114 1.220) 10.953 11.644 ( -0.650 -0.490 -3.455) 3.549 11.785 ( 6.000 -8.664 -3.340) 11.055 12.272 ( -6.213 -1.304 -3.103) 7.067 12.324 ( 4.048 0.814 1.981) 4.580 12.406 ( -4.846 0.053 -0.508) 4.873 12.519 ( -3.492 -2.182 -0.755) 4.186 12.606 ( -2.445 4.959 -3.863) 6.745 12.779 ( 5.460 7.652 1.779) 9.567 13.243 ( -0.278 2.822 4.051) 4.944 13.484 ( -2.035 -1.171 -3.101) 3.890 13.743 ( 3.959 -3.799 0.701) 5.531 13.786 ( -1.397 -8.931 -4.464) 10.082 14.448 ( 2.940 8.538 6.873) 11.348 14.657 ( -4.076 -1.944 -3.260) 5.570 15.031 ( -3.737 -6.630 0.719) 7.644 15.248 ( 0.348 -7.051 -0.128) 7.061 15.402 ( -0.903 -2.713 -2.039) 3.511 15.586 ( -0.308 3.868 -2.713) 4.734 16.023 ( -0.427 -4.561 3.669) 5.869 16.317 ( -0.078 4.965 4.232) 6.524 16.374 ( 4.202 -6.068 -0.959) 7.443 16.724 ( -4.944 -0.707 -9.988) 11.166 17.155 ( -0.441 -4.208 2.228) 4.782 17.226 ( -0.802 -1.845 -3.853) 4.347 17.477 ( 3.108 -0.046 1.638) 3.513 17.502 ( -3.240 -0.133 1.297) 3.493 20.119 ( 0.217 -5.312 3.011) 6.110 20.298 ( 2.678 0.326 -4.460) 5.213 20.500 ( -3.477 3.000 1.852) 4.952 20.717 ( 2.508 9.659 -1.893) 10.157 22.396 ( 0.267 -12.915 2.648) 13.186 22.810 ( 2.820 -10.123 -3.298) 11.014 22.829 ( -4.397 6.457 3.555) 8.583 23.230 ( 1.677 9.539 -2.199) 9.932 27.728 ( 0.927 -22.658 4.214) 23.065 28.019 ( -9.149 -20.829 -11.335) 25.418 28.565 ( -4.432 22.857 -1.495) 23.330 28.908 ( 12.602 17.441 4.365) 21.956 30.912 ( -3.258 -5.777 -0.046) 6.633 31.063 ( -7.016 -3.618 1.916) 8.123 31.110 ( -1.036 -9.005 -3.142) 9.594 31.461 ( -0.347 5.482 1.632) 5.730 31.545 ( 0.199 -1.169 4.131) 4.298 31.637 ( 0.901 8.745 0.541) 8.808 31.843 ( -1.266 -4.908 -11.352) 12.432 32.638 ( 17.572 -0.426 -4.753) 18.209 33.200 ( 3.282 0.197 1.091) 3.465 33.318 ( 5.554 0.415 0.684) 5.611 33.467 ( 0.465 0.352 2.549) 2.615 33.725 ( 0.515 8.005 -6.171) 10.121 35.427 ( -1.971 -0.805 2.732) 3.464 35.522 ( -0.764 -1.700 1.227) 2.231 35.668 ( -3.866 -0.922 5.696) 6.945 36.084 ( 1.495 1.219 -3.303) 3.825 36.326 ( -3.733 1.901 0.897) 4.284 36.419 ( -7.146 -0.170 11.348) 13.412 37.326 ( -9.088 -14.409 -4.216) 17.549 38.207 ( 11.013 14.275 -1.499) 18.091 ======================= Grid point 73 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.909 ( -11.174 12.896 -7.075) 18.473 2.148 ( -6.127 10.828 -5.452) 13.583 2.334 ( 5.899 -5.609 6.569) 10.460 2.453 ( -1.329 7.866 -7.561) 10.991 2.710 ( -4.928 -6.602 4.024) 9.169 2.927 ( 4.879 17.964 -0.726) 18.629 3.182 ( -0.460 -8.460 2.055) 8.718 3.262 ( 2.994 -6.781 -2.192) 7.730 3.392 ( -2.995 -5.614 -6.733) 9.264 3.455 ( 1.696 9.657 -6.031) 11.511 3.564 ( 2.897 -1.696 2.559) 4.221 3.750 ( 0.231 -0.559 -2.469) 2.543 3.794 ( 9.977 -4.341 -0.727) 10.905 3.995 ( -0.150 -7.047 2.926) 7.631 4.138 ( -6.381 2.373 9.143) 11.400 4.334 ( 2.556 3.815 -5.870) 7.452 4.426 ( -3.753 -3.919 7.893) 9.578 4.799 ( 5.502 0.064 -0.102) 5.504 4.945 ( 1.027 5.157 -4.185) 6.721 5.129 ( 5.412 -8.258 -1.453) 9.980 5.214 ( -5.097 3.669 2.159) 6.641 5.361 ( -2.282 -6.683 1.411) 7.202 5.524 ( 6.872 2.149 0.549) 7.221 5.663 ( -4.330 -0.560 1.549) 4.632 5.833 ( -6.490 -0.942 -3.461) 7.415 5.872 ( 0.971 5.241 2.542) 5.905 6.065 ( -1.627 5.284 -0.184) 5.532 6.290 ( -2.248 -4.859 2.631) 5.966 6.493 ( 7.086 -1.466 1.080) 7.316 6.665 ( 2.853 -3.221 0.691) 4.358 7.782 ( -3.850 1.890 -4.477) 6.199 7.879 ( -4.263 -0.397 -3.882) 5.779 8.217 ( -4.356 1.777 -1.646) 4.984 8.533 ( 9.593 0.273 8.431) 12.774 8.920 ( 0.967 0.903 -2.864) 3.155 9.087 ( -1.974 -1.229 -0.221) 2.336 9.174 ( 0.473 2.194 2.852) 3.630 9.426 ( -1.748 0.919 -0.107) 1.978 9.556 ( 5.236 -3.690 -4.003) 7.554 9.595 ( -3.510 -0.293 -1.481) 3.821 9.778 ( 0.332 1.770 1.717) 2.488 9.810 ( 2.990 4.447 4.038) 6.709 10.247 ( -3.828 -5.357 -8.072) 10.417 10.263 ( -4.261 2.364 -0.207) 4.877 10.396 ( 4.226 -2.656 3.945) 6.362 10.671 ( 2.158 4.333 0.780) 4.903 10.886 ( -2.692 -1.275 2.905) 4.161 11.294 ( 0.196 5.944 1.948) 6.259 11.369 ( 1.249 2.298 3.215) 4.145 11.478 ( 0.686 0.186 -0.494) 0.865 11.614 ( -1.512 0.201 -4.291) 4.554 11.954 ( 3.058 -5.299 -0.279) 6.124 12.226 ( -2.345 -0.745 -0.545) 2.521 12.256 ( -5.532 2.391 -2.972) 6.719 12.477 ( 6.576 -2.167 -0.119) 6.925 12.550 ( -0.708 -6.237 2.099) 6.618 12.637 ( 3.676 8.295 0.951) 9.123 12.663 ( 0.548 -5.050 1.358) 5.258 13.207 ( -1.381 2.714 2.838) 4.163 13.494 ( 0.660 -2.136 -2.522) 3.371 13.792 ( -0.128 0.588 0.199) 0.634 13.876 ( -6.933 -6.527 -6.073) 11.293 14.301 ( -2.172 8.336 2.200) 8.890 14.649 ( 1.042 -0.399 -2.153) 2.425 15.112 ( -1.029 -1.741 3.596) 4.126 15.333 ( -1.430 -1.054 -2.842) 3.352 15.467 ( 1.700 -4.552 1.607) 5.117 15.531 ( 3.560 -0.222 2.955) 4.632 16.105 ( -2.506 -1.254 0.861) 2.932 16.219 ( 0.056 6.502 2.425) 6.940 16.368 ( -5.720 1.637 -6.398) 8.737 16.818 ( 8.633 -8.993 0.664) 12.483 17.209 ( 0.987 1.496 -3.050) 3.538 17.231 ( -0.312 -3.079 1.189) 3.315 17.463 ( -4.382 0.654 -0.613) 4.472 17.490 ( 2.345 2.515 2.778) 4.421 20.171 ( 1.415 10.104 -0.981) 10.249 20.236 ( 0.192 -5.944 -1.054) 6.039 20.546 ( 1.187 -1.262 -0.086) 1.734 20.580 ( 0.815 0.917 -2.396) 2.692 22.602 ( -1.536 -1.257 2.719) 3.366 22.690 ( -1.138 -0.245 3.686) 3.865 23.023 ( 1.776 -8.718 -1.549) 9.031 23.050 ( 0.667 7.548 -2.334) 7.928 28.036 ( -1.524 13.917 -0.299) 14.003 28.230 ( -0.259 -16.813 3.887) 17.259 28.277 ( -7.299 -15.629 -6.605) 18.471 28.746 ( 16.950 15.645 2.888) 23.247 30.977 ( -4.787 -2.925 0.203) 5.613 31.066 ( -0.925 -0.184 3.034) 3.177 31.238 ( -0.118 -4.718 -1.121) 4.851 31.357 ( 0.259 3.634 -1.474) 3.930 31.522 ( -0.338 4.080 -0.352) 4.109 31.599 ( 0.021 -0.669 5.643) 5.682 31.834 ( -7.140 -5.945 -14.697) 17.388 32.666 ( 14.513 7.878 -6.899) 17.896 33.132 ( -2.008 6.226 1.382) 6.686 33.354 ( 1.125 -1.700 -1.189) 2.360 33.458 ( 0.998 8.401 2.046) 8.704 33.670 ( 0.319 -7.973 -2.464) 8.351 35.428 ( -2.353 0.422 2.541) 3.489 35.539 ( -0.537 -0.050 0.514) 0.744 35.675 ( -4.906 0.409 7.081) 8.624 36.055 ( 2.503 1.219 -3.975) 4.853 36.305 ( -0.198 -0.672 1.568) 1.718 36.443 ( -7.063 -1.436 10.859) 13.034 37.486 ( -1.572 -8.800 -3.006) 9.431 38.058 ( 5.905 6.447 -3.529) 9.428 ======================= Grid point 74 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.487 ( -15.772 17.893 -2.459) 23.978 1.747 ( -11.280 21.314 -4.495) 24.530 2.261 ( -3.250 3.565 -4.604) 6.669 2.406 ( 10.668 8.269 3.098) 13.849 2.651 ( 7.113 14.056 -1.511) 15.826 2.802 ( 1.013 1.095 4.620) 4.855 3.112 ( -13.782 17.348 -9.152) 23.972 3.144 ( -4.458 8.096 -5.049) 10.531 3.413 ( -3.227 -5.245 -1.997) 6.474 3.486 ( 1.851 -7.933 -0.236) 8.149 3.656 ( 3.700 -5.450 -0.308) 6.595 3.757 ( 1.895 -0.509 -1.347) 2.380 3.870 ( -2.858 3.888 2.838) 5.598 4.054 ( 3.616 -2.945 -4.915) 6.776 4.078 ( -5.756 3.023 9.513) 11.522 4.317 ( 6.652 -4.473 -0.532) 8.034 4.594 ( 2.032 -7.504 7.162) 10.570 4.815 ( 1.281 4.464 -2.687) 5.366 4.900 ( 7.623 -3.145 -1.974) 8.479 5.189 ( -1.728 -2.194 4.680) 5.450 5.281 ( 3.823 -3.490 -2.756) 5.865 5.492 ( -7.441 -8.395 -5.731) 12.597 5.593 ( -0.591 4.968 3.587) 6.156 5.627 ( 9.232 -5.602 2.405) 11.063 5.759 ( -0.775 7.069 -0.459) 7.126 5.828 ( -7.570 -3.704 -1.837) 8.626 5.973 ( 0.035 3.405 3.865) 5.151 6.400 ( 0.728 -5.780 1.206) 5.949 6.525 ( 2.218 1.831 -0.312) 2.893 6.754 ( 3.916 -2.031 1.926) 4.814 7.715 ( -4.285 0.186 -4.380) 6.130 7.870 ( 1.388 -2.596 1.870) 3.488 8.152 ( -5.025 -0.299 -3.217) 5.974 8.530 ( 4.859 6.361 -1.652) 8.173 8.970 ( 2.576 -0.272 6.093) 6.621 9.111 ( 0.733 -2.276 -0.986) 2.586 9.146 ( -1.933 1.157 2.755) 3.559 9.382 ( -4.476 1.297 -3.410) 5.774 9.495 ( -7.090 1.766 -0.289) 7.312 9.646 ( 1.894 -1.958 -0.025) 2.725 9.727 ( 6.393 2.302 -2.155) 7.129 9.931 ( 4.241 -4.925 2.935) 7.131 10.145 ( -0.880 4.881 4.584) 6.753 10.248 ( -6.586 -2.443 -5.048) 8.651 10.466 ( -3.551 1.832 -0.382) 4.014 10.645 ( 1.889 -4.742 -1.947) 5.464 10.941 ( -2.021 -5.165 2.988) 6.300 11.216 ( 2.012 4.222 3.322) 5.736 11.375 ( 2.638 0.278 2.039) 3.346 11.487 ( -5.139 -3.024 0.270) 5.969 11.570 ( -0.876 0.888 -3.978) 4.169 11.938 ( -5.422 4.451 0.512) 7.033 12.201 ( 1.108 -1.673 -3.578) 4.102 12.316 ( -0.355 -6.123 0.193) 6.136 12.421 ( 2.406 12.992 0.668) 13.230 12.578 ( 5.152 -5.555 -3.025) 8.158 12.702 ( 1.288 -5.581 2.353) 6.192 12.862 ( 2.525 -9.518 2.775) 10.231 13.159 ( -2.461 1.944 2.990) 4.333 13.522 ( 2.080 -0.474 -2.020) 2.938 13.665 ( -4.630 7.245 -2.373) 8.920 13.942 ( -3.898 -7.194 -1.282) 8.282 14.171 ( -5.524 3.725 -2.220) 7.023 14.629 ( 1.203 2.708 -1.418) 3.284 15.057 ( -3.044 7.099 1.522) 7.872 15.413 ( 6.789 -2.778 4.518) 8.616 15.439 ( 3.469 2.574 -0.747) 4.384 15.707 ( -0.050 -6.356 0.822) 6.409 15.964 ( -6.375 6.865 -3.262) 9.920 16.095 ( -0.390 7.353 2.123) 7.664 16.391 ( -1.540 -8.029 -0.956) 8.231 17.046 ( 11.023 -5.244 1.591) 12.310 17.159 ( 4.319 4.521 -1.244) 6.375 17.268 ( -0.172 -1.748 -3.013) 3.488 17.407 ( -4.788 0.667 -2.627) 5.502 17.460 ( 1.684 4.622 4.082) 6.392 19.992 ( 0.955 9.618 -0.360) 9.672 20.293 ( 6.152 1.840 -7.372) 9.777 20.511 ( -0.907 -1.940 3.883) 4.434 20.714 ( 0.149 -9.684 -1.867) 9.863 22.443 ( -5.856 10.018 3.547) 12.134 22.778 ( 2.757 7.069 -2.188) 7.897 22.927 ( -0.610 -4.214 4.170) 5.960 23.232 ( 1.994 -10.950 -2.038) 11.316 27.641 ( -1.366 21.321 -0.232) 21.366 28.503 ( 7.278 -6.389 3.732) 10.378 28.641 ( 3.679 -12.272 3.141) 13.191 28.663 ( 8.078 -6.318 -6.767) 12.286 30.914 ( -4.305 4.574 -1.460) 6.449 31.092 ( 1.339 1.815 3.341) 4.031 31.176 ( 0.570 7.236 0.924) 7.317 31.340 ( -5.841 0.264 -5.541) 8.056 31.526 ( 2.244 -5.175 0.810) 5.699 31.646 ( -1.298 -2.838 4.435) 5.424 31.794 ( -7.182 -5.342 -14.047) 16.657 32.521 ( 8.990 12.208 -10.521) 18.454 32.978 ( -3.464 8.879 0.115) 9.532 33.250 ( 0.302 11.333 -1.059) 11.387 33.452 ( 0.085 -4.569 3.175) 5.564 33.840 ( 1.294 -9.871 -2.617) 10.294 35.408 ( -2.176 1.277 2.461) 3.525 35.522 ( -0.245 1.497 -0.175) 1.527 35.657 ( -4.383 1.839 6.593) 8.128 36.042 ( 3.199 0.405 -2.997) 4.402 36.358 ( 1.580 -2.945 2.964) 4.467 36.471 ( -6.735 -1.182 8.437) 10.860 37.551 ( 1.199 1.213 6.597) 6.813 38.073 ( 0.491 -8.402 -7.827) 11.493 ======================= Grid point 75 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( -13.806 18.384 8.217) 24.415 1.229 ( -13.981 23.958 6.495) 28.489 2.080 ( -7.998 40.561 5.253) 41.674 2.240 ( -0.335 -0.169 4.201) 4.217 2.510 ( 10.497 5.402 -3.038) 12.190 2.646 ( -0.146 1.941 -2.260) 2.983 2.827 ( -8.198 16.255 -1.045) 18.235 2.958 ( -1.776 -8.028 -3.887) 9.095 3.475 ( -0.112 -3.804 -4.292) 5.736 3.558 ( -4.645 -2.608 0.005) 5.327 3.693 ( -2.948 3.204 -1.268) 4.535 3.763 ( 6.723 -2.727 -6.626) 9.825 3.881 ( 4.124 -2.021 0.799) 4.661 4.053 ( -1.308 1.598 6.850) 7.154 4.097 ( 4.852 -2.945 -7.180) 9.152 4.508 ( 6.899 -4.844 0.316) 8.436 4.716 ( 0.166 7.232 6.778) 9.913 4.762 ( -1.036 -9.167 0.798) 9.260 5.018 ( 6.398 -3.021 -4.009) 8.132 5.194 ( -0.153 9.542 2.966) 9.994 5.324 ( 2.333 -4.611 -2.789) 5.871 5.453 ( -2.216 6.118 -1.963) 6.796 5.550 ( 1.705 0.865 3.579) 4.058 5.643 ( -7.525 -0.940 -2.075) 7.863 5.801 ( 3.114 -0.018 3.515) 4.696 5.837 ( 0.522 -8.417 -0.748) 8.466 6.009 ( -4.739 -3.912 2.060) 6.481 6.449 ( 1.342 2.210 -3.293) 4.187 6.535 ( -1.568 -4.561 1.586) 5.077 6.788 ( 0.700 0.469 -2.214) 2.369 7.657 ( -2.512 0.610 0.303) 2.603 8.032 ( 5.962 -8.070 5.935) 11.658 8.121 ( -4.441 -2.300 -1.895) 5.348 8.470 ( 6.656 3.426 -0.926) 7.543 8.935 ( -11.344 0.581 0.080) 11.359 9.074 ( -2.877 1.850 -0.215) 3.427 9.216 ( 2.284 1.008 3.989) 4.706 9.274 ( 1.020 4.149 -0.631) 4.318 9.452 ( -5.637 -1.264 0.873) 5.843 9.663 ( -1.434 -1.243 -2.339) 3.012 9.769 ( 1.783 -1.669 -2.470) 3.473 9.917 ( 5.531 6.951 0.584) 8.903 10.121 ( -4.311 4.629 -1.415) 6.482 10.270 ( 1.388 -5.554 8.556) 10.295 10.397 ( -4.678 -1.578 -1.219) 5.085 10.801 ( 2.545 -9.699 -2.103) 10.246 11.074 ( -1.177 -8.852 2.712) 9.333 11.219 ( 0.794 -0.519 4.887) 4.978 11.402 ( 0.393 -0.492 0.372) 0.732 11.501 ( -7.491 -3.498 0.135) 8.268 11.548 ( 1.330 -0.692 -2.858) 3.227 11.812 ( -5.062 4.432 -0.400) 6.740 12.154 ( 3.875 7.532 -0.715) 8.500 12.301 ( -2.763 -0.491 0.635) 2.878 12.424 ( 0.555 -5.523 -0.662) 5.590 12.691 ( 3.491 -0.881 -2.268) 4.256 12.756 ( -0.618 -2.742 -2.560) 3.802 12.981 ( 2.186 -2.245 -3.067) 4.384 13.204 ( -0.999 -3.653 8.228) 9.058 13.507 ( -0.440 0.737 -0.982) 1.304 13.549 ( 0.486 1.602 -2.853) 3.308 13.976 ( 2.906 7.553 3.062) 8.653 14.098 ( -10.637 -9.142 -6.094) 15.292 14.578 ( 0.437 2.551 -0.075) 2.589 14.892 ( -3.378 8.466 1.457) 9.231 15.337 ( 6.067 9.533 2.130) 11.499 15.472 ( -4.209 9.934 -3.733) 11.416 15.684 ( 7.965 1.706 1.423) 8.269 15.873 ( -1.335 0.681 -3.928) 4.204 16.110 ( -3.089 -8.135 3.075) 9.229 16.544 ( 0.428 -9.253 -0.687) 9.288 17.057 ( 1.800 5.554 -2.170) 6.228 17.191 ( 9.805 2.427 -0.826) 10.135 17.263 ( 6.780 1.349 -9.229) 11.531 17.317 ( -0.144 5.735 -5.551) 7.983 17.410 ( -1.562 3.543 5.495) 6.723 19.853 ( 1.423 6.847 0.760) 7.034 20.219 ( 7.752 6.046 -6.379) 11.719 20.629 ( -2.116 -8.653 3.238) 9.479 20.875 ( 0.769 -8.464 -0.795) 8.536 22.241 ( -8.401 8.193 3.999) 12.397 22.580 ( 1.242 11.413 -2.891) 11.839 23.080 ( 0.102 -6.965 3.620) 7.850 23.418 ( 2.486 -8.813 -2.334) 9.450 27.292 ( -0.368 16.670 0.357) 16.677 28.477 ( 33.454 22.138 -12.697) 42.077 28.846 ( -2.140 -18.866 -1.020) 19.014 29.035 ( -2.062 -19.492 2.048) 19.708 30.725 ( -8.141 9.289 -6.243) 13.840 31.032 ( 1.080 5.293 -1.216) 5.537 31.071 ( 1.454 6.201 1.828) 6.626 31.192 ( -9.353 6.157 -1.729) 11.330 31.679 ( 4.085 -6.924 0.724) 8.072 31.701 ( -0.411 -1.586 -5.192) 5.444 31.815 ( -3.207 -9.305 -1.220) 9.918 32.264 ( 7.177 15.600 -15.268) 22.978 32.786 ( -2.117 9.963 2.151) 10.410 33.036 ( -0.835 12.168 1.512) 12.290 33.553 ( 0.335 -4.471 1.414) 4.701 33.988 ( 1.403 -7.421 -4.141) 8.613 35.381 ( -1.636 1.517 2.320) 3.219 35.490 ( -0.195 1.389 -0.154) 1.411 35.623 ( -2.867 2.135 4.997) 6.144 36.056 ( 3.237 -0.578 -1.532) 3.627 36.437 ( -3.372 0.570 6.984) 7.776 36.472 ( 0.966 -1.706 0.163) 1.967 37.639 ( -10.717 -9.572 21.907) 26.199 38.219 ( 1.620 -11.006 -8.953) 14.280 ======================= Grid point 76 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -0.650 22.354 16.377) 27.718 0.884 ( -7.209 18.163 29.311) 35.228 1.188 ( -17.179 43.389 15.155) 49.066 2.225 ( 0.246 5.130 11.687) 12.765 2.370 ( -4.148 12.135 -6.709) 14.474 2.679 ( 4.243 -4.646 -2.040) 6.614 2.807 ( -0.070 -11.978 3.831) 12.576 3.120 ( 2.157 -10.490 -4.978) 11.810 3.508 ( 6.807 -0.711 -3.551) 7.711 3.553 ( -2.279 -1.527 1.429) 3.094 3.642 ( -1.455 0.376 -1.953) 2.464 3.760 ( 1.374 1.588 -8.703) 8.953 3.931 ( 6.753 1.324 -1.503) 7.044 4.070 ( 1.117 -0.075 5.012) 5.135 4.155 ( 4.593 -3.055 -8.945) 10.510 4.493 ( 2.101 7.862 -5.114) 9.611 4.656 ( -0.701 5.302 11.113) 12.333 4.870 ( -7.208 4.495 -0.774) 8.529 4.955 ( 3.676 -1.255 1.802) 4.282 5.112 ( -2.779 1.674 -6.288) 7.076 5.294 ( -4.383 1.701 4.199) 6.304 5.390 ( 0.214 -2.285 -5.157) 5.644 5.543 ( -1.464 0.386 1.131) 1.890 5.730 ( -1.877 -8.866 -0.428) 9.073 5.895 ( 9.076 -0.569 4.631) 10.205 5.934 ( -2.531 -3.712 0.211) 4.497 5.983 ( -9.852 -0.398 -4.159) 10.701 6.397 ( 1.577 2.036 -1.406) 2.934 6.610 ( -2.039 -4.155 -0.451) 4.651 6.742 ( -2.663 0.647 -4.885) 5.601 7.685 ( 3.836 -0.224 7.998) 8.873 8.145 ( -5.721 -9.216 -2.046) 11.039 8.285 ( 5.960 -8.239 8.801) 13.449 8.480 ( 5.256 2.416 0.753) 5.833 8.863 ( -12.286 -4.378 1.142) 13.093 9.031 ( -1.749 2.579 2.009) 3.708 9.142 ( 1.323 4.687 -1.059) 4.984 9.223 ( -0.254 4.096 -1.987) 4.559 9.459 ( -3.501 -1.594 4.102) 5.624 9.653 ( -3.513 0.287 -4.934) 6.064 9.716 ( 0.392 1.172 -4.843) 4.998 9.895 ( 4.276 3.096 3.890) 6.557 10.092 ( 3.950 -3.435 8.684) 10.140 10.359 ( 3.694 0.683 1.625) 4.093 10.462 ( -3.683 -4.995 8.338) 10.394 10.966 ( -2.061 -9.920 -6.059) 11.805 11.194 ( -5.497 -3.605 0.830) 6.626 11.294 ( -3.729 -5.004 0.959) 6.314 11.405 ( 3.165 1.963 -0.835) 3.817 11.477 ( -9.338 -2.143 3.625) 10.244 11.586 ( -0.212 -5.441 -2.477) 5.982 11.712 ( -3.602 2.151 -1.028) 4.319 12.102 ( 2.632 1.514 1.592) 3.428 12.340 ( -1.084 -4.717 5.193) 7.099 12.500 ( 2.167 -2.630 -1.250) 3.629 12.633 ( 3.695 1.537 0.760) 4.074 12.858 ( 3.622 -5.117 -1.572) 6.463 12.984 ( 3.646 2.077 -3.220) 5.289 13.254 ( -4.710 -0.344 7.505) 8.868 13.484 ( 2.163 2.374 -1.253) 3.447 13.588 ( -0.366 -6.228 -3.168) 6.997 13.827 ( -3.023 7.003 -3.813) 8.528 14.206 ( 1.798 -7.049 1.892) 7.517 14.559 ( 0.166 -0.249 -0.096) 0.315 14.736 ( -1.423 8.284 3.095) 8.957 15.198 ( -4.137 7.922 -4.711) 10.103 15.226 ( 4.702 10.386 1.690) 11.526 15.624 ( -4.702 10.370 -4.431) 12.218 15.802 ( 23.496 19.602 -18.825) 35.926 16.236 ( -4.216 -6.859 1.612) 8.211 16.691 ( 0.426 -6.387 -1.332) 6.539 16.930 ( 8.763 15.152 -16.239) 23.877 17.011 ( 6.088 16.358 -12.383) 21.400 17.152 ( 3.022 4.784 -3.228) 6.514 17.238 ( 0.767 3.726 1.086) 3.956 17.375 ( -3.539 1.777 5.018) 6.392 19.784 ( 2.754 3.728 2.873) 5.453 20.176 ( 3.114 0.458 -0.941) 3.285 20.793 ( -0.391 -8.127 2.471) 8.504 21.007 ( -0.510 -6.015 0.688) 6.076 22.091 ( -12.059 1.504 3.045) 12.528 22.398 ( 1.707 7.818 -2.550) 8.399 23.184 ( -2.704 -4.034 1.481) 5.077 23.532 ( 1.753 -3.248 -4.385) 5.731 27.055 ( -0.094 9.567 0.184) 9.570 27.885 ( 11.704 53.047 -50.997) 74.509 29.206 ( 6.720 -15.427 4.879) 17.520 29.315 ( -1.516 -11.607 1.426) 11.792 30.523 ( 23.036 8.423 12.387) 27.478 30.943 ( 1.596 6.032 0.077) 6.240 30.987 ( 1.385 4.189 -2.273) 4.963 31.017 ( -4.163 6.244 6.256) 9.770 31.645 ( 3.340 3.735 -6.097) 7.892 31.847 ( -2.202 -6.417 0.189) 6.787 31.917 ( 9.390 18.209 -7.091) 21.680 32.001 ( 1.145 -9.501 1.002) 9.622 32.663 ( 7.686 6.523 5.788) 11.624 32.834 ( 0.334 10.716 2.127) 10.930 33.620 ( -0.358 -2.344 0.338) 2.395 34.075 ( 1.449 -4.006 -5.522) 6.974 35.355 ( -1.217 1.366 1.712) 2.506 35.481 ( 0.260 -0.608 0.035) 0.662 35.599 ( -1.561 1.252 3.684) 4.192 36.090 ( 2.482 -1.384 -1.679) 3.301 36.348 ( -0.208 6.816 0.096) 6.820 36.547 ( 0.614 -2.518 2.440) 3.560 38.052 ( -38.368 -40.619 25.866) 61.572 38.366 ( 4.429 -7.559 -6.999) 11.213 ======================= Grid point 78 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.992 ( 21.538 0.000 20.317) 29.609 1.166 ( 13.823 0.000 27.137) 30.455 1.908 ( 29.215 0.000 30.508) 42.241 2.040 ( 3.684 0.000 -11.797) 12.359 2.443 ( 15.291 0.000 -6.295) 16.536 2.934 ( 2.315 0.000 12.365) 12.579 2.967 ( -2.908 -0.000 3.486) 4.539 3.068 ( 1.198 0.000 -9.469) 9.544 3.497 ( -9.487 -0.000 -1.376) 9.587 3.541 ( -10.484 -0.000 -4.555) 11.431 3.671 ( 4.092 0.000 3.563) 5.426 3.675 ( 1.688 0.000 0.676) 1.819 3.864 ( -6.990 -0.000 -15.557) 17.055 3.892 ( -3.812 -0.000 -2.203) 4.403 4.133 ( -1.333 -0.000 1.898) 2.319 4.325 ( -0.647 -0.000 -4.714) 4.759 4.671 ( -13.708 -0.000 9.270) 16.548 4.873 ( 1.137 0.000 1.425) 1.823 4.921 ( 2.118 0.000 5.304) 5.711 5.060 ( 2.897 0.000 0.551) 2.949 5.186 ( -0.492 -0.000 0.948) 1.068 5.345 ( -14.422 -0.000 -3.269) 14.788 5.365 ( 7.416 0.000 -5.285) 9.107 5.511 ( 3.583 0.000 -2.968) 4.652 5.899 ( 4.403 0.000 -2.145) 4.898 5.983 ( 0.982 0.000 -5.832) 5.914 6.198 ( 2.521 0.000 7.256) 7.681 6.435 ( 4.835 0.000 -0.648) 4.878 6.549 ( -7.019 -0.000 -2.988) 7.628 6.614 ( 0.829 0.000 -0.562) 1.001 7.889 ( -11.540 -0.000 -3.735) 12.130 7.982 ( 2.584 0.000 3.618) 4.446 8.369 ( 2.608 0.000 4.803) 5.466 8.562 ( -1.827 -0.000 -0.013) 1.827 8.950 ( -0.316 -0.000 -1.157) 1.200 9.110 ( 13.910 0.000 6.062) 15.173 9.195 ( 4.023 0.000 -6.459) 7.610 9.269 ( 5.536 0.000 4.148) 6.918 9.404 ( -6.989 -0.000 -6.263) 9.385 9.542 ( 0.410 0.000 -4.520) 4.538 9.642 ( 4.325 0.000 6.137) 7.508 10.075 ( -6.712 -0.000 -0.550) 6.735 10.264 ( 4.242 0.000 3.862) 5.736 10.346 ( -3.311 -0.000 1.129) 3.498 10.650 ( 0.737 0.000 7.361) 7.398 10.906 ( -8.132 -0.000 -5.153) 9.627 10.961 ( 9.742 0.000 -5.993) 11.438 11.267 ( 2.339 0.000 -0.188) 2.346 11.322 ( -5.847 -0.000 -2.048) 6.195 11.571 ( 2.409 0.000 -3.586) 4.320 11.733 ( 0.948 0.000 3.479) 3.606 11.821 ( 15.707 0.000 3.823) 16.166 12.227 ( -1.797 -0.000 5.761) 6.034 12.528 ( -3.677 -0.000 -3.203) 4.876 12.558 ( -6.202 -0.000 -0.884) 6.265 12.661 ( 5.565 0.000 3.206) 6.423 12.911 ( 2.029 0.000 0.217) 2.041 12.972 ( 2.627 0.000 -6.814) 7.303 13.362 ( -6.984 -0.000 2.691) 7.485 13.411 ( 1.240 0.000 -2.091) 2.431 13.566 ( -2.853 -0.000 -5.542) 6.233 13.584 ( 0.813 0.000 -1.561) 1.760 14.540 ( -1.967 -0.000 -1.898) 2.733 14.549 ( 0.954 0.000 -2.042) 2.254 14.734 ( -3.838 -0.000 3.202) 4.998 14.980 ( 4.255 0.000 -1.518) 4.518 15.094 ( -6.966 -0.000 -7.245) 10.050 15.197 ( 5.919 0.000 -0.729) 5.963 16.007 ( -11.888 -0.000 -0.065) 11.888 16.251 ( 20.969 0.000 -2.176) 21.081 16.661 ( 0.032 0.000 -2.910) 2.911 16.674 ( -1.251 -0.000 -2.850) 3.112 16.950 ( -1.015 -0.000 0.950) 1.390 17.044 ( 0.215 0.000 -3.560) 3.567 17.292 ( -4.040 -0.000 0.920) 4.143 17.358 ( 6.762 0.000 4.579) 8.166 19.951 ( 4.719 0.000 8.306) 9.553 20.120 ( -3.095 -0.000 -2.814) 4.183 20.912 ( 0.091 0.000 2.441) 2.443 21.015 ( -2.806 -0.000 1.802) 3.334 21.928 ( -2.361 -0.000 1.969) 3.074 22.348 ( 3.372 0.000 -1.733) 3.791 23.221 ( -0.230 -0.000 1.748) 1.763 23.510 ( 1.156 0.000 -2.546) 2.796 26.968 ( -0.173 -0.000 0.103) 0.201 26.975 ( -0.057 -0.000 -0.011) 0.058 29.415 ( 0.442 0.000 0.175) 0.475 29.441 ( 4.472 0.000 2.785) 5.269 30.733 ( -13.548 -0.000 1.936) 13.685 30.828 ( -6.735 -0.000 -2.906) 7.335 30.880 ( -2.964 -0.000 -3.587) 4.653 31.461 ( -2.450 -0.000 0.211) 2.459 31.557 ( -6.462 -0.000 -5.109) 8.238 31.963 ( 14.542 0.000 -3.764) 15.021 32.066 ( 4.991 0.000 4.568) 6.765 32.271 ( 10.315 0.000 0.295) 10.319 32.716 ( 1.715 0.000 -0.343) 1.749 33.589 ( -3.884 -0.000 -0.068) 3.884 33.768 ( 74.800 0.000 -38.810) 84.269 34.039 ( 2.990 0.000 -8.544) 9.052 35.337 ( -1.176 -0.000 1.270) 1.731 35.523 ( 2.014 0.000 -1.071) 2.281 35.615 ( -0.730 -0.000 2.646) 2.745 36.038 ( 0.279 0.000 -5.767) 5.774 36.332 ( -1.395 -0.000 6.140) 6.296 36.525 ( -5.617 -0.000 -0.059) 5.617 37.109 ( -69.963 -0.000 31.599) 76.768 38.627 ( 15.046 0.000 0.811) 15.068 ======================= Grid point 79 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.422 ( 8.835 -12.984 19.447) 24.997 1.556 ( 13.868 -15.573 19.125) 28.295 2.075 ( 5.561 -8.074 -12.614) 15.976 2.308 ( 24.482 -2.673 16.836) 29.832 2.621 ( 14.738 -11.415 -5.662) 19.482 2.859 ( -1.577 3.927 0.141) 4.234 2.921 ( -1.111 7.059 3.782) 8.085 3.045 ( 5.603 2.966 -2.808) 6.934 3.423 ( -4.003 -0.290 -2.734) 4.856 3.475 ( -7.241 -1.789 2.339) 7.817 3.634 ( -0.213 1.510 -8.624) 8.758 3.695 ( -1.925 3.314 -1.072) 3.979 3.795 ( 1.835 -4.195 -4.014) 6.090 3.852 ( -9.103 -1.802 -3.540) 9.932 4.129 ( -1.392 1.548 4.178) 4.668 4.303 ( -0.952 -1.483 -6.030) 6.282 4.600 ( -18.339 -0.438 7.406) 19.782 4.866 ( -3.240 2.232 0.841) 4.024 4.893 ( 0.130 2.560 2.381) 3.498 5.106 ( -9.084 -1.981 -0.768) 9.329 5.227 ( -3.043 -5.193 -2.646) 6.575 5.320 ( 4.690 -4.772 3.086) 7.368 5.462 ( 13.033 0.897 1.729) 13.178 5.620 ( 9.547 -8.803 -0.708) 13.006 5.875 ( -0.464 2.422 -1.347) 2.810 5.914 ( 1.237 3.948 -5.862) 7.175 6.235 ( -0.030 0.662 3.989) 4.044 6.431 ( -6.256 4.588 -3.895) 8.681 6.483 ( 4.024 0.441 -0.216) 4.054 6.582 ( 1.595 3.890 0.179) 4.208 7.804 ( -2.284 0.332 1.058) 2.539 8.006 ( 0.201 0.378 -0.630) 0.761 8.420 ( 4.899 1.966 8.334) 9.865 8.498 ( -5.396 3.562 -4.150) 7.683 8.891 ( -2.376 2.413 -1.698) 3.788 9.149 ( -1.886 0.187 -3.358) 3.855 9.233 ( -0.544 0.771 -0.699) 1.174 9.363 ( 6.820 -3.362 -0.318) 7.610 9.382 ( 6.783 -2.488 2.520) 7.651 9.521 ( 1.869 0.268 -4.122) 4.534 9.757 ( 4.614 -3.977 5.389) 8.133 10.024 ( -5.621 0.389 1.904) 5.947 10.287 ( 4.603 2.922 1.609) 5.685 10.323 ( 1.172 3.272 3.473) 4.913 10.599 ( -2.291 6.474 -0.938) 6.931 10.886 ( -3.240 -2.504 1.876) 4.504 10.950 ( 6.620 5.072 -1.476) 8.469 11.259 ( -1.578 -0.200 -0.305) 1.620 11.353 ( 1.688 -5.397 0.646) 5.691 11.563 ( 3.124 0.583 -3.508) 4.733 11.720 ( 3.260 3.839 2.266) 5.523 11.943 ( 16.475 5.612 3.286) 17.712 12.104 ( -6.102 6.583 4.816) 10.186 12.441 ( -5.620 1.323 -3.377) 6.689 12.502 ( -5.269 1.888 -5.371) 7.757 12.650 ( 0.375 5.159 0.562) 5.203 12.846 ( 0.604 7.122 -1.332) 7.270 12.929 ( 1.562 3.033 -3.801) 5.108 13.302 ( -2.324 1.417 5.900) 6.498 13.442 ( -4.604 -3.830 -4.696) 7.611 13.563 ( 3.141 -3.298 0.557) 4.588 13.617 ( 2.535 -1.206 -0.868) 2.938 14.510 ( -0.319 -2.394 -0.866) 2.565 14.599 ( 2.404 -1.302 -2.594) 3.769 14.778 ( -4.123 -6.050 4.299) 8.490 14.987 ( -6.983 -9.066 -3.919) 12.096 15.169 ( -4.970 -7.589 -9.939) 13.457 15.310 ( -2.269 -11.558 -2.600) 12.062 16.005 ( -1.897 -5.403 4.834) 7.494 16.271 ( 10.170 8.769 0.545) 13.439 16.577 ( -1.773 6.671 -4.312) 8.139 16.665 ( -3.016 -2.135 -5.374) 6.521 16.998 ( -0.593 -4.940 0.936) 5.063 17.082 ( -1.832 -4.600 -2.991) 5.785 17.335 ( -1.042 -6.443 -0.536) 6.548 17.450 ( 4.839 -1.651 4.130) 6.572 20.034 ( 3.409 -0.341 7.128) 7.908 20.112 ( -2.240 -3.847 -3.881) 5.906 20.831 ( -1.287 8.572 2.812) 9.112 20.989 ( -0.293 3.368 0.124) 3.383 21.988 ( -0.767 -7.034 1.854) 7.315 22.436 ( 3.304 -7.296 -1.780) 8.205 23.140 ( -0.623 8.469 2.949) 8.989 23.479 ( 1.570 3.494 -2.572) 4.614 27.069 ( 0.028 -11.420 1.101) 11.473 27.186 ( -3.809 -20.680 -4.945) 21.602 29.281 ( -1.232 14.254 -0.429) 14.314 29.420 ( 7.250 8.566 3.088) 11.639 30.720 ( -14.057 -10.517 -1.000) 17.584 30.783 ( -3.957 -1.272 -1.939) 4.587 30.866 ( -4.126 -3.697 -3.440) 6.522 31.448 ( -1.097 -0.758 2.523) 2.854 31.522 ( -6.479 -3.582 -4.890) 8.872 31.901 ( 6.268 9.304 -0.050) 11.218 32.059 ( 2.736 9.133 1.119) 9.600 32.424 ( 11.379 -7.973 -0.738) 13.914 32.846 ( 2.495 -10.815 0.002) 11.099 33.535 ( -4.683 2.435 0.420) 5.295 33.872 ( 49.201 17.947 -26.166) 58.545 33.973 ( 2.984 4.353 -8.773) 10.239 35.358 ( -1.233 -2.284 1.239) 2.876 35.502 ( -0.123 1.839 1.001) 2.097 35.628 ( -2.103 -0.662 3.840) 4.428 36.063 ( 1.957 -3.554 -5.691) 6.989 36.361 ( -3.341 -0.625 4.648) 5.758 36.463 ( -7.634 1.475 3.684) 8.604 36.873 ( -40.725 -6.998 20.500) 46.128 38.676 ( 14.292 8.376 1.554) 16.639 ======================= Grid point 80 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.776 ( -4.084 -14.449 10.954) 18.586 1.930 ( 2.640 -9.828 13.433) 16.852 2.259 ( 5.884 -11.143 -7.633) 14.733 2.489 ( 8.529 5.757 1.563) 10.408 2.760 ( 2.391 7.976 3.248) 8.938 2.913 ( 3.144 -5.228 -2.137) 6.464 2.947 ( 4.867 -14.796 -8.394) 17.694 3.096 ( 7.516 -7.064 -1.338) 10.401 3.389 ( 0.472 -1.836 -6.559) 6.827 3.517 ( 3.408 2.560 3.289) 5.384 3.560 ( 2.945 -1.616 -4.377) 5.518 3.645 ( -2.167 -2.164 -0.562) 3.114 3.762 ( 4.178 1.162 -6.734) 8.010 3.868 ( -2.551 1.358 -0.215) 2.898 4.113 ( -1.171 1.143 7.048) 7.236 4.292 ( -5.314 -2.495 -1.847) 6.154 4.492 ( -13.149 0.973 4.699) 13.998 4.820 ( -0.535 0.650 -0.755) 1.131 4.911 ( -1.760 -1.900 8.162) 8.563 5.072 ( -5.757 -2.143 -3.812) 7.230 5.217 ( -3.139 -0.431 -4.582) 5.571 5.426 ( -0.498 1.001 2.752) 2.970 5.561 ( 11.736 1.011 3.524) 12.295 5.726 ( -0.788 4.165 -1.785) 4.600 5.859 ( 0.839 -3.133 0.702) 3.319 5.910 ( 6.236 -0.732 0.102) 6.280 6.213 ( -5.676 2.719 -3.999) 7.457 6.303 ( 1.454 -1.037 2.404) 2.995 6.399 ( -2.591 7.909 -0.554) 8.341 6.589 ( 5.844 -0.628 -0.481) 5.897 7.830 ( 0.023 -0.947 2.266) 2.456 7.954 ( -0.795 4.728 -3.098) 5.708 8.311 ( -7.759 5.126 -6.077) 11.108 8.494 ( 5.652 -0.498 9.528) 11.090 8.871 ( -1.939 -1.884 -0.693) 2.791 9.127 ( -4.069 -1.828 -4.874) 6.607 9.170 ( -2.879 0.574 0.518) 2.981 9.408 ( 2.438 -0.014 2.330) 3.372 9.484 ( 1.391 1.230 -1.048) 2.132 9.594 ( 8.792 -4.280 0.448) 9.789 9.853 ( 0.065 -2.465 -1.874) 3.097 10.003 ( 2.105 2.454 2.789) 4.270 10.224 ( 5.062 10.441 1.020) 11.648 10.278 ( 1.682 2.623 2.794) 4.185 10.489 ( -2.132 2.056 -0.315) 2.979 10.858 ( 5.623 6.157 -1.260) 8.433 10.926 ( -1.032 2.029 5.199) 5.676 11.278 ( -2.368 -3.280 0.402) 4.066 11.485 ( 2.983 -1.263 7.675) 8.330 11.568 ( 0.731 -3.561 -7.851) 8.652 11.693 ( 4.761 3.746 3.208) 6.855 11.849 ( 14.431 12.642 -0.747) 19.199 12.130 ( -4.858 -6.646 1.056) 8.299 12.334 ( -6.521 1.703 -7.418) 10.022 12.396 ( -3.246 1.150 1.213) 3.651 12.535 ( -2.354 6.272 0.266) 6.705 12.686 ( -1.753 7.820 -3.520) 8.753 12.889 ( 0.756 0.840 -0.141) 1.139 13.309 ( -0.015 1.080 4.495) 4.623 13.431 ( -4.465 -1.475 -3.953) 6.143 13.585 ( -3.888 -2.037 -3.570) 5.657 13.765 ( 11.273 -5.228 5.227) 13.481 14.512 ( -9.312 -2.940 -6.930) 11.974 14.630 ( 4.643 2.430 2.009) 5.613 14.869 ( -3.882 -7.721 1.279) 8.736 15.123 ( -2.135 -7.673 -0.590) 7.987 15.257 ( -1.020 -11.293 -2.627) 11.639 15.465 ( -4.547 -10.106 -4.042) 11.796 16.103 ( 4.379 3.982 5.926) 8.376 16.277 ( 5.339 -6.026 0.828) 8.093 16.415 ( -1.893 6.042 -0.811) 6.383 16.608 ( -5.828 0.047 -7.496) 9.495 17.080 ( -1.649 -4.660 -0.837) 5.014 17.139 ( -0.625 -4.479 -0.936) 4.618 17.439 ( -0.407 -4.960 -0.753) 5.033 17.513 ( 1.756 -0.053 3.103) 3.566 20.090 ( 0.922 -0.783 3.906) 4.089 20.177 ( -1.016 -7.301 -4.668) 8.725 20.656 ( -1.717 10.924 2.739) 11.392 20.883 ( 1.322 7.917 -1.411) 8.150 22.178 ( 0.080 -12.530 2.253) 12.731 22.612 ( 2.675 -10.500 -2.106) 11.038 22.984 ( -1.606 9.589 3.797) 10.438 23.383 ( 2.047 7.166 -2.098) 7.742 27.368 ( 0.044 -19.952 3.177) 20.204 27.505 ( -5.834 -22.311 -6.943) 24.083 28.929 ( -3.135 21.430 -1.314) 21.698 29.304 ( 10.417 13.445 3.202) 17.307 30.790 ( -4.712 -4.756 -1.125) 6.789 30.858 ( -6.798 -12.415 -0.239) 14.157 30.908 ( -4.247 -7.231 -3.721) 9.174 31.475 ( -4.896 -2.328 -0.739) 5.471 31.530 ( -1.792 -2.962 1.425) 3.743 31.774 ( 2.335 8.052 -1.325) 8.488 31.884 ( 3.313 11.489 -1.985) 12.121 32.652 ( 10.272 -7.939 -1.296) 13.047 33.079 ( 2.649 -11.798 0.091) 12.092 33.438 ( -4.243 4.672 0.748) 6.355 33.712 ( 26.143 18.308 -12.532) 34.289 33.843 ( 2.005 7.579 -5.939) 9.836 35.398 ( -1.871 -2.214 1.760) 3.391 35.495 ( -0.975 -0.797 1.734) 2.143 35.649 ( -3.860 -1.219 5.408) 6.755 36.084 ( 1.295 -0.419 -3.886) 4.118 36.328 ( -4.487 1.312 1.044) 4.790 36.436 ( -6.407 0.528 10.741) 12.518 36.935 ( -17.030 -15.750 3.336) 23.435 38.568 ( 11.705 15.075 0.166) 19.086 ======================= Grid point 81 (33/114) ======================= q-point: ( 0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.950 ( -6.026 1.250 0.264) 6.160 2.145 ( -6.065 -12.115 3.053) 13.888 2.348 ( -2.081 4.438 -2.593) 5.545 2.444 ( 4.426 -7.995 0.986) 9.192 2.608 ( -0.744 12.605 -2.336) 12.841 2.957 ( -5.068 -5.516 -5.738) 9.435 3.102 ( 3.366 -7.488 -4.665) 9.443 3.309 ( 5.086 2.108 -0.142) 5.508 3.351 ( 5.510 1.531 -2.394) 6.199 3.546 ( 6.955 -4.716 2.157) 8.676 3.679 ( 10.957 10.707 -5.552) 16.295 3.753 ( -4.383 -1.220 -3.092) 5.501 3.769 ( 6.078 -5.340 2.501) 8.468 3.800 ( 5.407 -11.436 -1.994) 12.806 4.152 ( -4.995 -0.702 9.170) 10.466 4.283 ( -9.181 -3.440 0.061) 9.805 4.448 ( -0.037 1.637 3.751) 4.093 4.830 ( 3.363 -0.874 -0.605) 3.527 4.969 ( -3.261 0.510 1.129) 3.488 5.043 ( -0.555 -3.276 -2.659) 4.255 5.204 ( -1.749 -3.483 -4.343) 5.835 5.314 ( -8.056 6.314 3.318) 10.760 5.628 ( -1.478 2.872 2.679) 4.196 5.641 ( 7.283 0.902 1.937) 7.589 5.815 ( -3.946 8.402 -0.177) 9.284 5.962 ( 3.722 -2.140 -0.758) 4.359 6.125 ( -2.166 1.647 -3.286) 4.267 6.236 ( -4.266 3.032 5.218) 7.390 6.493 ( 8.328 -7.588 1.093) 11.319 6.641 ( 4.187 -1.190 -0.796) 4.425 7.793 ( -2.485 5.286 -3.746) 6.939 7.846 ( -1.720 0.574 0.488) 1.878 8.160 ( -8.995 1.731 -5.470) 10.669 8.642 ( 8.011 -1.979 7.392) 11.079 8.904 ( 2.157 -3.064 -0.194) 3.752 9.050 ( -5.361 0.979 -1.981) 5.799 9.234 ( 2.292 -2.075 3.325) 4.541 9.436 ( -1.391 -0.050 0.417) 1.453 9.463 ( -0.117 -0.779 2.485) 2.606 9.620 ( -1.403 3.976 -3.530) 5.499 9.858 ( -0.708 -2.640 -4.425) 5.201 9.947 ( 8.412 9.366 2.058) 12.757 10.155 ( 1.481 1.796 0.841) 2.476 10.241 ( -0.710 0.425 -2.547) 2.678 10.466 ( 1.659 2.932 4.195) 5.381 10.779 ( 3.714 5.850 -2.766) 7.461 10.893 ( -2.557 2.636 4.717) 5.978 11.320 ( -2.581 -2.259 1.544) 3.761 11.478 ( 1.769 4.740 3.456) 6.127 11.559 ( 1.798 4.916 -1.332) 5.401 11.653 ( 4.862 5.184 -1.476) 7.258 11.872 ( 7.027 -5.290 -2.378) 9.112 12.122 ( -5.479 -1.522 -4.366) 7.169 12.304 ( -6.774 4.809 0.978) 8.364 12.413 ( 1.634 -9.472 2.617) 9.962 12.498 ( 1.054 -1.835 1.834) 2.801 12.547 ( -1.174 1.531 -2.947) 3.522 12.868 ( 2.758 5.069 1.186) 5.892 13.278 ( -0.179 4.439 3.061) 5.395 13.425 ( -0.957 -3.260 -2.840) 4.429 13.596 ( -8.485 -7.586 -4.702) 12.314 13.899 ( 6.296 3.178 2.927) 7.636 14.431 ( -2.854 3.186 -5.366) 6.862 14.593 ( -2.435 -0.412 1.391) 2.834 15.025 ( 0.537 -8.271 1.991) 8.525 15.246 ( -1.100 -6.931 0.572) 7.041 15.394 ( 0.293 -3.713 0.085) 3.726 15.558 ( -0.524 -4.498 -0.829) 4.603 16.107 ( 3.946 1.592 6.292) 7.596 16.283 ( -2.886 1.205 -5.866) 6.648 16.364 ( -4.060 5.621 -0.314) 6.941 16.661 ( 3.853 -12.762 -1.212) 13.386 17.128 ( -1.492 -3.503 -3.123) 4.924 17.217 ( 0.596 -3.725 1.229) 3.968 17.463 ( -2.285 1.368 0.224) 2.672 17.536 ( 1.396 -0.154 2.036) 2.473 20.136 ( -0.655 -3.435 0.318) 3.512 20.281 ( 1.723 -4.674 -4.540) 6.740 20.473 ( -2.896 6.978 2.462) 7.946 20.738 ( 2.653 8.542 -1.654) 9.096 22.434 ( 0.590 -13.626 2.580) 13.880 22.802 ( 0.212 -1.556 -2.587) 3.026 22.832 ( -1.137 -0.386 4.201) 4.369 23.235 ( 1.752 9.860 -1.705) 10.158 27.780 ( -0.974 -22.885 3.080) 23.112 27.819 ( -4.105 -21.702 -4.269) 22.495 28.491 ( -2.825 23.459 -1.052) 23.651 29.155 ( 12.426 14.273 1.496) 18.983 30.853 ( -3.894 -5.854 0.498) 7.049 30.971 ( -4.650 -7.021 -0.196) 8.423 31.072 ( 0.123 -12.070 -1.947) 12.226 31.448 ( -2.294 1.271 -0.276) 2.637 31.580 ( -1.881 -0.196 2.553) 3.177 31.643 ( -1.818 4.380 -1.426) 4.952 31.702 ( 1.774 8.073 -5.484) 9.920 32.821 ( 11.104 -1.849 -3.730) 11.859 33.229 ( 0.047 1.317 1.526) 2.016 33.355 ( 1.101 0.276 -2.576) 2.815 33.551 ( 7.152 5.036 -5.174) 10.163 33.676 ( 1.292 9.826 -1.920) 10.095 35.420 ( -2.311 -0.841 2.169) 3.279 35.522 ( -0.841 -1.499 1.203) 2.098 35.669 ( -5.288 -1.010 7.013) 8.841 36.069 ( 1.880 0.698 -3.786) 4.284 36.299 ( -1.252 -0.197 1.043) 1.641 36.441 ( -6.621 0.243 11.026) 12.863 37.158 ( -6.331 -18.143 -2.681) 19.402 38.347 ( 8.454 16.935 -1.937) 19.027 ======================= Grid point 82 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.692 ( -6.970 15.582 0.877) 17.093 2.036 ( -5.035 18.827 1.767) 19.569 2.324 ( 0.108 5.632 -8.068) 9.840 2.497 ( 6.681 -7.853 5.095) 11.501 2.669 ( -4.100 -11.208 1.264) 12.001 2.993 ( 2.587 0.515 -6.066) 6.614 3.082 ( -0.391 6.981 -4.696) 8.422 3.247 ( -6.003 5.577 2.768) 8.649 3.406 ( 10.407 -5.119 -5.826) 12.979 3.483 ( 3.606 11.996 -0.129) 12.527 3.658 ( 3.319 4.741 2.982) 6.510 3.730 ( 1.320 -2.419 -1.139) 2.982 3.899 ( 2.330 -1.522 -1.472) 3.148 3.980 ( -0.964 -5.247 -2.637) 5.951 4.122 ( -7.132 2.617 4.557) 8.859 4.297 ( 1.231 -3.331 1.920) 4.037 4.481 ( -1.941 -4.273 4.157) 6.269 4.862 ( 1.331 -0.973 -6.451) 6.659 4.902 ( 4.839 0.268 -0.450) 4.867 5.127 ( -6.030 -1.808 0.595) 6.323 5.226 ( -4.341 -2.762 -0.226) 5.150 5.282 ( 3.537 -8.224 -1.296) 9.046 5.577 ( -4.162 2.503 0.943) 4.948 5.678 ( -1.348 -1.073 -4.828) 5.126 5.720 ( 1.086 -0.436 8.192) 8.275 5.939 ( 2.916 6.475 0.879) 7.155 6.052 ( -0.537 3.030 1.171) 3.293 6.302 ( -1.394 -5.971 3.405) 7.014 6.587 ( 5.017 2.201 -2.110) 5.871 6.725 ( 2.877 -4.584 -1.137) 5.530 7.703 ( -0.532 2.230 -0.048) 2.293 7.864 ( 3.505 -1.702 2.524) 4.643 8.050 ( -8.901 -1.078 -4.885) 10.210 8.655 ( 2.345 4.674 -3.868) 6.505 9.001 ( -1.501 -0.238 2.710) 3.107 9.055 ( 1.447 -5.069 2.426) 5.802 9.240 ( 2.445 5.122 6.163) 8.378 9.373 ( -3.191 3.042 -0.070) 4.409 9.479 ( -3.610 3.002 -4.497) 6.501 9.574 ( 0.379 -6.554 0.459) 6.581 9.864 ( 4.921 7.038 0.367) 8.595 9.933 ( 6.140 -3.735 2.310) 7.549 10.094 ( -4.827 -1.305 -4.952) 7.038 10.270 ( 4.183 2.458 2.525) 5.469 10.428 ( -4.308 0.323 -0.617) 4.364 10.660 ( 0.642 5.859 -3.810) 7.019 10.877 ( -3.544 -1.132 4.212) 5.620 11.314 ( -1.525 2.426 2.527) 3.820 11.427 ( 0.375 2.949 1.083) 3.163 11.467 ( 1.086 4.113 -0.780) 4.325 11.611 ( 3.331 3.084 -1.068) 4.664 11.938 ( -1.390 0.475 -2.616) 3.000 12.170 ( -1.894 -6.777 -0.660) 7.067 12.190 ( -1.203 0.992 -0.437) 1.619 12.490 ( 0.636 -2.384 -3.191) 4.033 12.613 ( 2.228 -4.374 2.781) 5.642 12.680 ( -0.012 -11.683 1.030) 11.728 12.741 ( 3.706 10.473 1.646) 11.230 13.211 ( -1.921 3.550 2.274) 4.633 13.489 ( 2.113 -3.521 -1.443) 4.353 13.672 ( -6.932 -9.533 -3.260) 12.229 13.799 ( -0.117 7.896 -0.210) 7.900 14.289 ( -0.049 8.774 -0.338) 8.780 14.638 ( -0.271 -2.602 -0.229) 2.626 15.145 ( -1.059 0.208 3.548) 3.708 15.306 ( 3.142 -4.375 -3.218) 6.275 15.482 ( -2.115 -6.576 0.398) 6.920 15.622 ( 1.869 -1.712 3.032) 3.952 16.071 ( -1.713 9.815 -0.772) 9.993 16.230 ( -1.103 -3.419 -1.333) 3.832 16.253 ( -1.732 3.670 2.145) 4.590 16.942 ( 5.937 -13.478 -2.354) 14.915 17.152 ( 0.600 -1.743 -4.073) 4.471 17.282 ( 1.130 -1.417 2.249) 2.889 17.386 ( -4.066 3.569 -0.164) 5.413 17.547 ( 0.940 1.552 2.274) 2.909 20.190 ( 1.402 9.625 0.258) 9.730 20.218 ( 0.121 -5.078 -2.340) 5.593 20.520 ( -0.787 -9.785 -2.040) 10.027 20.609 ( 2.800 7.253 -0.596) 7.798 22.601 ( -2.336 7.433 2.568) 8.204 22.712 ( -1.053 -8.695 2.347) 9.068 23.024 ( 1.277 -5.994 -2.788) 6.733 23.050 ( 1.168 5.679 -0.060) 5.798 28.029 ( 0.518 20.698 0.446) 20.709 28.134 ( -2.530 -19.866 -2.929) 20.239 28.248 ( -2.921 -21.735 3.200) 22.163 29.006 ( 12.192 12.560 -3.756) 17.903 30.915 ( -2.691 -2.007 1.813) 3.816 31.063 ( -2.310 -5.827 0.800) 6.319 31.236 ( 1.763 -3.783 -1.187) 4.340 31.380 ( 3.759 8.467 0.652) 9.287 31.488 ( -3.868 0.216 -3.329) 5.107 31.591 ( -1.645 -1.876 -6.372) 6.843 31.647 ( -2.243 -0.189 5.010) 5.492 32.783 ( 10.189 11.602 -9.032) 17.889 33.122 ( -2.163 8.200 2.846) 8.945 33.339 ( 1.214 -0.741 -3.761) 4.021 33.503 ( -0.101 9.331 2.519) 9.666 33.647 ( 1.187 -10.139 -2.557) 10.524 35.420 ( -2.137 0.293 2.578) 3.361 35.535 ( -0.509 0.100 0.465) 0.697 35.677 ( -5.352 0.165 7.249) 9.012 36.056 ( 2.946 0.363 -3.345) 4.472 36.328 ( -0.089 -2.498 2.089) 3.258 36.447 ( -7.261 -0.468 9.421) 11.904 37.421 ( -0.770 -15.006 -2.881) 15.299 38.112 ( 4.860 11.901 -3.608) 13.351 ======================= Grid point 83 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 2.893 17.116 14.797) 22.810 1.630 ( -4.979 23.517 7.200) 25.094 2.246 ( 2.724 1.066 2.083) 3.590 2.654 ( 10.433 15.338 3.235) 18.830 2.738 ( 1.121 -5.765 -2.258) 6.292 2.805 ( -3.378 17.824 -2.586) 18.325 2.859 ( -4.096 9.835 -1.743) 10.796 3.075 ( 3.195 14.756 3.191) 15.431 3.345 ( -2.230 -1.630 -1.144) 2.990 3.495 ( 3.075 -1.663 -4.245) 5.499 3.647 ( -0.338 -3.698 -6.400) 7.399 3.748 ( -0.975 1.776 -4.419) 4.861 3.844 ( -4.204 -0.299 1.096) 4.355 4.034 ( -1.433 -2.923 -1.974) 3.807 4.088 ( 1.781 -1.599 0.250) 2.407 4.425 ( 1.812 -5.633 1.708) 6.159 4.599 ( -1.345 -8.295 1.721) 8.578 4.870 ( 1.989 4.476 2.764) 5.624 4.958 ( 2.857 -4.090 -3.903) 6.334 5.161 ( -9.122 -12.287 -4.279) 15.890 5.254 ( -1.494 -4.136 -4.332) 6.173 5.384 ( 6.087 4.066 3.546) 8.133 5.577 ( -1.535 -2.824 -0.943) 3.350 5.682 ( -2.256 -5.608 -1.799) 6.307 5.784 ( 3.319 4.196 3.725) 6.519 5.848 ( 0.096 3.226 5.704) 6.553 6.000 ( -1.122 3.142 2.271) 4.036 6.402 ( -1.293 -5.166 -0.452) 5.345 6.541 ( 1.934 3.853 -1.870) 4.699 6.759 ( -1.441 -0.644 -6.429) 6.620 7.697 ( 3.781 1.074 5.920) 7.106 7.942 ( -3.545 -3.519 -3.775) 6.261 8.061 ( 4.011 -4.365 5.150) 7.853 8.564 ( 1.492 3.413 -3.602) 5.181 8.924 ( -5.121 5.095 0.242) 7.228 9.088 ( -0.810 1.304 -0.155) 1.543 9.250 ( -3.769 -2.019 3.122) 5.295 9.343 ( 3.635 2.603 3.695) 5.800 9.412 ( -1.789 0.134 0.361) 1.830 9.651 ( 0.144 0.415 -1.759) 1.813 9.779 ( 3.658 2.612 -2.855) 5.324 10.053 ( 4.536 1.095 -0.988) 4.770 10.113 ( -2.701 -5.537 0.849) 6.219 10.218 ( -2.463 3.286 4.253) 5.912 10.365 ( -1.356 0.976 -0.816) 1.859 10.662 ( 2.235 -5.897 -1.620) 6.511 10.932 ( -2.995 -5.881 3.012) 7.255 11.268 ( -1.169 2.870 3.692) 4.820 11.393 ( -0.700 0.779 -2.231) 2.464 11.421 ( -3.063 -0.326 0.051) 3.081 11.577 ( 3.001 2.703 -0.276) 4.048 11.849 ( -3.042 4.407 -2.297) 5.827 12.204 ( 3.181 -1.898 -0.319) 3.718 12.297 ( -0.791 -6.044 -0.624) 6.128 12.474 ( 1.488 12.746 2.669) 13.107 12.588 ( 2.186 -7.610 -2.567) 8.323 12.742 ( -0.657 -1.261 -2.118) 2.551 12.866 ( -1.636 -8.846 -2.532) 9.346 13.179 ( -2.175 -0.901 4.763) 5.313 13.519 ( 0.614 1.071 -0.892) 1.523 13.624 ( 2.142 6.261 -2.067) 6.933 13.858 ( -1.931 -9.979 0.294) 10.168 14.140 ( 0.859 7.558 1.939) 7.850 14.640 ( 1.210 2.640 1.153) 3.125 15.036 ( -1.193 8.604 1.836) 8.878 15.459 ( 1.047 -4.090 -3.742) 5.641 15.511 ( -0.543 0.979 -2.005) 2.296 15.669 ( -1.847 -4.726 -2.086) 5.486 15.910 ( 1.077 6.752 4.804) 8.356 16.119 ( -1.131 7.502 3.634) 8.412 16.368 ( 0.119 -9.270 -1.086) 9.334 17.118 ( -0.043 -0.482 -10.092) 10.104 17.174 ( 4.202 -5.260 -2.978) 7.362 17.278 ( -0.110 3.211 1.059) 3.383 17.330 ( -0.950 0.013 1.871) 2.099 17.522 ( 1.111 3.245 2.216) 4.083 20.021 ( 1.157 9.489 2.237) 9.818 20.299 ( 4.743 -1.463 -6.364) 8.071 20.533 ( -0.969 -0.015 2.312) 2.507 20.703 ( 0.915 -10.485 -1.559) 10.640 22.394 ( -4.784 11.728 3.093) 13.038 22.785 ( 2.603 9.944 -3.035) 10.718 22.941 ( -3.137 -7.324 2.127) 8.247 23.239 ( 1.562 -10.954 -2.095) 11.261 27.637 ( 0.225 21.273 1.168) 21.307 28.463 ( -0.891 -16.592 -4.335) 17.172 28.637 ( -2.470 -19.849 -0.656) 20.013 28.851 ( 7.894 6.345 -9.276) 13.734 30.881 ( 2.091 6.774 3.748) 8.019 31.109 ( -1.757 0.996 -0.130) 2.024 31.204 ( -2.539 3.047 -0.269) 3.975 31.237 ( 5.036 8.807 0.599) 10.163 31.562 ( -0.393 -7.808 -0.395) 7.828 31.653 ( -0.775 -5.207 1.817) 5.570 31.664 ( 2.473 -2.251 -0.720) 3.421 32.531 ( 6.739 15.426 -11.794) 20.554 32.973 ( 0.154 8.996 4.228) 9.941 33.251 ( 0.191 10.429 0.361) 10.437 33.474 ( -0.917 -4.034 1.871) 4.541 33.819 ( 1.090 -9.652 -4.306) 10.625 35.408 ( -1.675 1.124 2.926) 3.554 35.518 ( -0.278 1.565 0.248) 1.609 35.661 ( -3.942 1.479 5.687) 7.076 36.065 ( 3.139 -0.326 -1.893) 3.680 36.401 ( -2.077 -4.248 4.578) 6.581 36.447 ( -6.820 -0.499 6.039) 9.123 37.577 ( -3.362 -2.594 1.844) 4.629 38.037 ( 4.100 -4.613 -5.654) 8.370 ======================= Grid point 84 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 3.981 24.242 14.557) 28.556 1.334 ( 12.389 13.750 32.083) 37.039 1.994 ( -6.844 40.845 1.746) 41.451 2.316 ( -1.379 2.587 3.581) 4.628 2.661 ( 7.107 11.329 3.894) 13.929 2.671 ( 6.241 5.148 1.026) 8.155 2.783 ( 3.064 9.013 3.111) 10.015 2.949 ( 2.880 -6.414 -2.567) 7.485 3.448 ( 3.845 -7.286 -4.449) 9.362 3.522 ( -1.691 -2.782 0.701) 3.330 3.614 ( -1.511 2.774 -5.182) 6.068 3.679 ( -2.558 -2.214 -9.005) 9.619 3.895 ( -1.145 -6.024 -2.876) 6.773 4.094 ( 0.824 -4.279 -2.173) 4.869 4.116 ( 2.516 1.482 -0.685) 2.999 4.477 ( -6.342 -1.754 -3.309) 7.365 4.730 ( -6.395 -4.430 4.191) 8.837 4.816 ( 2.417 2.774 5.836) 6.899 5.001 ( -0.986 -3.282 -4.446) 5.614 5.154 ( -4.718 2.968 -4.976) 7.472 5.331 ( 1.561 0.227 -3.991) 4.291 5.412 ( 2.422 -0.551 -0.790) 2.607 5.555 ( -0.265 -1.909 0.063) 1.929 5.624 ( 1.840 11.563 2.876) 12.056 5.834 ( 0.283 -7.126 -0.465) 7.147 5.871 ( -6.617 -2.151 -1.924) 7.219 5.990 ( 3.847 -0.400 8.922) 9.724 6.449 ( 2.338 1.133 -1.753) 3.134 6.500 ( -2.709 -3.190 -2.036) 4.654 6.686 ( -4.017 0.285 -8.402) 9.317 7.783 ( 7.074 0.357 10.381) 12.567 7.946 ( -5.519 -4.898 -3.791) 8.296 8.212 ( 1.284 -5.352 3.785) 6.680 8.530 ( 0.258 -0.057 -0.404) 0.483 8.851 ( 3.576 1.967 3.634) 5.464 9.062 ( -0.864 1.211 1.470) 2.091 9.221 ( -3.544 2.911 0.055) 4.587 9.301 ( 2.066 4.218 -0.998) 4.802 9.443 ( 0.555 -0.033 3.935) 3.974 9.595 ( -1.838 -1.178 -6.609) 6.960 9.756 ( 1.576 4.811 -1.344) 5.238 9.998 ( 2.605 1.156 1.783) 3.361 10.130 ( 2.526 2.407 4.101) 5.385 10.287 ( -7.530 -9.194 0.581) 11.898 10.429 ( 4.352 -2.443 7.038) 8.628 10.782 ( 0.120 -7.015 -4.524) 8.348 11.054 ( -4.430 -7.310 0.915) 8.596 11.243 ( -1.762 0.295 2.752) 3.281 11.367 ( -0.978 -0.162 -0.221) 1.016 11.454 ( 0.847 -4.436 0.915) 4.608 11.553 ( 1.855 1.916 -1.695) 3.160 11.739 ( -1.432 3.615 -2.438) 4.590 12.201 ( 1.083 6.765 -0.027) 6.852 12.315 ( 1.076 -1.724 4.385) 4.833 12.445 ( 2.105 -4.069 0.602) 4.621 12.690 ( 0.157 1.444 -3.435) 3.730 12.761 ( 3.751 -7.640 -0.569) 8.530 12.936 ( -3.752 -4.222 -5.929) 8.189 13.239 ( -3.701 -2.766 6.317) 7.827 13.494 ( 0.213 -0.252 -0.433) 0.544 13.554 ( 2.834 3.055 -1.843) 4.557 13.868 ( -4.755 4.351 -6.636) 9.251 14.188 ( 10.055 -4.184 9.338) 14.346 14.595 ( 0.893 3.481 1.329) 3.831 14.894 ( 0.189 8.297 3.103) 8.860 15.293 ( -5.474 9.136 -5.565) 12.016 15.450 ( 1.491 7.400 -1.755) 7.750 15.759 ( -5.141 7.210 -4.007) 9.720 15.853 ( 8.902 -5.937 0.953) 10.742 16.092 ( -3.209 -2.939 3.594) 5.643 16.532 ( -0.486 -9.388 -1.908) 9.592 17.004 ( -0.736 5.014 -8.703) 10.071 17.152 ( -3.406 3.445 -9.147) 10.350 17.248 ( 1.688 2.881 -3.979) 5.195 17.330 ( 2.750 2.971 3.437) 5.310 17.474 ( 2.621 5.180 -0.474) 5.824 19.912 ( 2.242 5.911 4.324) 7.659 20.249 ( 4.609 5.240 -5.492) 8.880 20.639 ( -1.553 -9.228 3.367) 9.946 20.878 ( 0.656 -8.723 -0.774) 8.781 22.169 ( -5.113 10.590 3.267) 12.205 22.580 ( 2.525 11.583 -2.488) 12.113 23.057 ( -5.037 -6.928 0.239) 8.569 23.408 ( 0.863 -8.282 -3.530) 9.045 27.301 ( 0.296 17.146 1.319) 17.199 28.228 ( -11.279 22.943 -32.814) 41.598 28.952 ( 3.130 -18.408 2.461) 18.834 29.058 ( 0.645 -17.507 1.036) 17.550 30.827 ( 8.607 4.449 3.880) 10.437 31.037 ( -0.382 4.867 0.534) 4.911 31.109 ( -5.490 5.250 4.401) 8.779 31.180 ( 13.118 6.375 5.651) 15.641 31.649 ( -0.805 -3.820 -2.384) 4.575 31.747 ( 4.012 -3.157 -1.539) 5.332 31.812 ( 2.089 -9.898 1.377) 10.209 32.267 ( 13.588 13.618 -11.220) 22.270 32.889 ( 9.740 6.571 5.124) 12.818 33.062 ( 1.943 10.771 3.178) 11.397 33.552 ( -1.666 -4.307 0.305) 4.628 33.951 ( 1.291 -7.257 -6.021) 9.518 35.388 ( -1.121 1.710 2.563) 3.279 35.489 ( -0.421 1.266 0.687) 1.501 35.634 ( -2.323 1.712 4.035) 4.961 36.090 ( 2.670 -0.536 -1.146) 2.955 36.415 ( -5.491 1.926 4.011) 7.067 36.488 ( -3.683 -4.646 3.936) 7.116 37.538 ( -23.710 -3.614 9.544) 25.812 38.224 ( 8.999 -11.010 -4.907) 15.043 ======================= Grid point 87 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( 22.584 0.000 16.660) 28.064 1.624 ( 8.431 0.000 19.319) 21.078 1.971 ( 8.890 0.000 -11.242) 14.332 2.569 ( 13.309 0.000 -11.784) 17.776 2.585 ( 20.607 0.000 11.895) 23.793 2.941 ( -1.691 -0.000 -0.505) 1.765 2.987 ( 2.867 0.000 -7.811) 8.320 3.052 ( -4.735 -0.000 6.271) 7.858 3.326 ( -7.409 -0.000 -4.578) 8.710 3.351 ( -9.163 -0.000 3.241) 9.719 3.593 ( -4.506 -0.000 -11.685) 12.524 3.700 ( -3.772 -0.000 2.078) 4.306 3.750 ( -1.412 -0.000 -9.745) 9.847 3.788 ( 4.048 0.000 2.047) 4.536 4.159 ( -1.856 -0.000 5.877) 6.163 4.244 ( -1.357 -0.000 -2.943) 3.241 4.466 ( -22.329 -0.000 5.081) 22.900 4.867 ( -1.995 -0.000 0.965) 2.216 4.952 ( -4.924 -0.000 -0.150) 4.927 5.066 ( -1.815 -0.000 3.942) 4.340 5.096 ( -1.301 -0.000 -2.504) 2.822 5.385 ( 10.441 0.000 6.285) 12.187 5.601 ( 9.829 0.000 -0.415) 9.838 5.602 ( 15.030 0.000 2.969) 15.321 5.851 ( -5.959 -0.000 -3.396) 6.859 5.929 ( 3.390 0.000 -6.395) 7.238 6.252 ( -1.573 -0.000 1.435) 2.129 6.406 ( -5.929 -0.000 -3.550) 6.911 6.539 ( 6.516 0.000 1.945) 6.800 6.641 ( 0.939 0.000 1.483) 1.756 7.804 ( 0.524 0.000 2.903) 2.950 8.033 ( 4.377 0.000 1.704) 4.697 8.460 ( -7.519 -0.000 -4.157) 8.592 8.501 ( 1.658 0.000 5.153) 5.414 8.929 ( -0.464 -0.000 -1.071) 1.168 8.978 ( -13.278 -0.000 -11.719) 17.710 9.290 ( 2.129 0.000 1.946) 2.884 9.393 ( 3.571 0.000 3.841) 5.244 9.451 ( 11.725 0.000 3.068) 12.120 9.515 ( 5.008 0.000 -5.544) 7.471 9.773 ( 1.663 0.000 3.995) 4.327 10.018 ( -0.191 -0.000 2.781) 2.787 10.341 ( -2.004 -0.000 7.631) 7.889 10.373 ( 2.890 0.000 0.604) 2.953 10.652 ( 1.249 0.000 -6.564) 6.682 10.876 ( 0.616 0.000 9.299) 9.319 11.037 ( 6.648 0.000 -3.387) 7.461 11.231 ( -1.592 -0.000 -2.743) 3.171 11.318 ( 3.267 0.000 1.230) 3.491 11.588 ( 3.522 0.000 -1.733) 3.925 11.799 ( 3.626 0.000 2.754) 4.553 11.996 ( -3.928 -0.000 6.582) 7.665 12.294 ( 9.942 0.000 -2.924) 10.363 12.328 ( -11.134 -0.000 -8.260) 13.863 12.485 ( -0.296 -0.000 -1.841) 1.865 12.688 ( -5.442 -0.000 -2.693) 6.072 12.913 ( -0.026 -0.000 -6.435) 6.435 12.956 ( 1.925 0.000 0.791) 2.081 13.315 ( -3.003 -0.000 3.497) 4.609 13.459 ( -4.122 -0.000 -3.737) 5.563 13.470 ( 6.113 0.000 4.572) 7.634 13.636 ( 4.659 0.000 1.422) 4.871 14.482 ( -2.361 -0.000 -1.770) 2.951 14.517 ( -3.706 -0.000 -3.751) 5.273 14.641 ( -11.654 -0.000 -7.623) 13.926 14.812 ( -6.589 -0.000 -3.875) 7.644 15.006 ( 1.578 0.000 -0.507) 1.658 15.242 ( 1.303 0.000 -0.512) 1.399 15.954 ( -0.582 -0.000 3.811) 3.856 16.452 ( 8.649 0.000 -0.094) 8.650 16.597 ( -1.853 -0.000 -4.086) 4.487 16.644 ( -0.115 -0.000 -0.633) 0.644 16.935 ( -1.520 -0.000 -0.033) 1.520 17.006 ( -1.368 -0.000 -1.489) 2.021 17.255 ( -1.240 -0.000 -0.175) 1.252 17.500 ( 4.552 0.000 4.076) 6.110 20.032 ( -3.164 -0.000 -3.988) 5.091 20.102 ( 2.903 0.000 6.554) 7.168 20.936 ( -0.294 -0.000 1.994) 2.016 20.998 ( -1.621 -0.000 1.003) 1.906 21.930 ( -0.256 -0.000 1.673) 1.693 22.384 ( 3.337 0.000 -1.419) 3.626 23.242 ( -0.064 -0.000 2.120) 2.121 23.510 ( 1.915 0.000 -1.820) 2.642 26.966 ( -0.190 -0.000 0.078) 0.205 26.974 ( -0.097 -0.000 0.001) 0.097 29.422 ( 0.214 0.000 -0.316) 0.382 29.562 ( 6.594 0.000 2.303) 6.985 30.476 ( -13.874 -0.000 -3.766) 14.376 30.736 ( -3.753 -0.000 -0.589) 3.799 30.781 ( -4.347 -0.000 -2.986) 5.274 31.408 ( -5.796 -0.000 -3.638) 6.843 31.445 ( -1.598 -0.000 1.431) 2.145 32.047 ( 2.711 0.000 -0.677) 2.794 32.181 ( 3.912 0.000 2.811) 4.817 32.411 ( 7.448 0.000 -0.227) 7.452 32.749 ( 3.508 0.000 -1.108) 3.679 33.523 ( -5.339 -0.000 1.615) 5.578 33.987 ( 3.361 0.000 -8.424) 9.070 34.235 ( 45.438 0.000 -39.981) 60.523 35.330 ( -1.400 -0.000 0.981) 1.709 35.534 ( 1.204 0.000 -1.356) 1.813 35.630 ( -2.468 -0.000 3.909) 4.623 35.992 ( 1.595 0.000 -4.534) 4.806 36.351 ( -7.463 -0.000 6.720) 10.042 36.421 ( -6.252 -0.000 -1.243) 6.374 36.649 ( -36.057 -0.000 31.291) 47.741 38.874 ( 12.634 0.000 2.866) 12.955 ======================= Grid point 88 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 7.397 0.627 10.932) 13.214 1.883 ( 2.863 -5.561 11.634) 13.209 2.101 ( 9.987 -9.755 -4.131) 14.559 2.578 ( 8.660 -3.308 -1.792) 9.442 2.777 ( 8.200 -1.193 -11.370) 14.069 2.816 ( -0.529 0.639 -4.619) 4.693 2.959 ( 5.020 5.726 4.495) 8.843 3.133 ( 7.676 -1.240 -2.870) 8.288 3.261 ( -9.708 -4.006 -5.757) 11.977 3.417 ( -5.100 -10.760 3.377) 12.377 3.527 ( 1.718 -2.028 -5.224) 5.861 3.621 ( -2.889 3.148 -2.701) 5.054 3.745 ( 3.239 -1.637 -5.849) 6.884 3.850 ( 2.771 -1.999 0.627) 3.473 4.163 ( -9.677 -1.183 5.296) 11.094 4.206 ( -5.991 2.349 3.097) 7.142 4.381 ( -10.368 -3.983 3.772) 11.730 4.835 ( -1.162 1.487 1.063) 2.166 4.948 ( -3.075 -2.412 -0.265) 3.917 4.992 ( 0.698 4.144 5.541) 6.955 5.144 ( -3.084 -2.090 -4.109) 5.547 5.475 ( 4.171 1.056 2.399) 4.926 5.697 ( -0.924 -4.611 -1.809) 5.039 5.713 ( 10.483 1.561 2.148) 10.814 5.848 ( 4.039 -0.834 1.606) 4.426 5.940 ( 9.269 -2.225 -1.613) 9.668 6.208 ( -3.954 2.759 -0.382) 4.836 6.297 ( -4.283 4.217 -3.403) 6.907 6.560 ( 1.622 6.405 2.148) 6.948 6.627 ( 3.226 0.351 1.139) 3.439 7.845 ( 2.637 0.130 3.092) 4.066 8.050 ( 4.087 4.519 1.480) 6.270 8.322 ( -8.499 5.340 -5.064) 11.242 8.531 ( 0.220 -1.966 3.320) 3.865 8.807 ( -5.928 -0.837 -2.808) 6.612 8.988 ( -4.559 -5.024 -2.950) 7.398 9.224 ( -1.241 6.584 0.405) 6.712 9.449 ( 2.439 -0.495 2.861) 3.792 9.514 ( 5.059 0.723 -2.778) 5.817 9.579 ( 6.220 -2.754 0.458) 6.818 9.820 ( 0.106 -1.806 -0.268) 1.829 10.053 ( 3.956 -0.639 2.942) 4.971 10.316 ( -1.312 2.564 0.417) 2.910 10.448 ( 1.683 -3.377 4.943) 6.218 10.531 ( 3.364 11.531 -2.803) 12.334 10.945 ( 1.663 0.526 6.936) 7.152 11.035 ( 6.031 3.550 -1.227) 7.105 11.223 ( -1.723 -0.883 -0.359) 1.969 11.399 ( 2.801 -5.629 -0.138) 6.289 11.593 ( 3.976 1.587 -0.515) 4.312 11.824 ( 5.724 3.429 4.614) 8.112 11.991 ( -8.493 -2.058 2.481) 9.085 12.199 ( -2.539 3.090 -10.897) 11.608 12.276 ( 8.115 6.135 1.411) 10.271 12.404 ( -0.281 5.631 -2.276) 6.080 12.591 ( -8.304 1.779 -3.197) 9.074 12.818 ( -0.985 8.750 -2.311) 9.104 12.878 ( -2.852 3.458 -2.940) 5.361 13.328 ( -2.261 -0.431 5.172) 5.661 13.341 ( -2.498 1.087 -2.446) 3.661 13.624 ( 2.174 2.717 0.906) 3.595 13.749 ( 9.924 -10.129 5.796) 15.319 14.362 ( -11.608 1.645 -10.028) 15.427 14.556 ( -0.449 -10.388 -2.478) 10.689 14.717 ( -1.317 -10.058 -1.844) 10.310 14.905 ( -2.649 -13.524 2.687) 14.040 15.056 ( -0.579 -4.374 -2.404) 5.024 15.275 ( -1.301 -4.730 -0.605) 4.943 16.056 ( 1.314 -8.509 0.378) 8.618 16.403 ( 5.529 8.763 1.820) 10.520 16.505 ( -1.472 6.124 -2.550) 6.795 16.604 ( -1.397 4.134 0.164) 4.367 16.964 ( -1.955 -4.426 -2.133) 5.288 17.050 ( -0.519 -5.155 0.069) 5.182 17.319 ( -0.272 -6.607 -0.478) 6.629 17.548 ( 2.156 0.112 3.059) 3.744 20.028 ( -2.073 -4.620 -4.372) 6.690 20.131 ( 0.566 1.543 3.357) 3.737 20.838 ( -1.395 8.813 2.105) 9.168 20.985 ( 0.082 3.007 -0.622) 3.072 22.006 ( -0.035 -7.388 2.349) 7.753 22.466 ( 2.799 -6.769 -1.580) 7.493 23.168 ( -0.538 8.403 3.165) 8.995 23.485 ( 2.012 3.549 -1.689) 4.415 27.080 ( -0.331 -12.524 1.187) 12.584 27.113 ( -1.340 -14.503 -1.761) 14.670 29.249 ( -1.697 16.446 -0.992) 16.563 29.565 ( 7.085 6.605 1.296) 9.773 30.510 ( -6.711 -13.712 -3.708) 15.710 30.725 ( -3.464 -2.096 1.047) 4.182 30.767 ( -3.937 -3.415 -1.810) 5.517 31.373 ( -4.522 -2.350 -2.787) 5.808 31.468 ( -1.850 -3.005 1.840) 3.980 31.959 ( 2.037 9.120 -0.157) 9.346 32.111 ( 2.920 10.553 -0.342) 10.955 32.550 ( 5.860 -8.541 -0.175) 10.359 32.889 ( 3.415 -10.868 -0.847) 11.423 33.471 ( -5.402 2.467 2.779) 6.557 33.925 ( 4.263 4.769 -9.770) 11.678 34.168 ( 30.721 15.921 -28.873) 45.066 35.348 ( -1.523 -2.316 1.052) 2.965 35.508 ( -0.418 1.790 0.754) 1.987 35.630 ( -4.705 -0.513 5.662) 7.380 36.038 ( 2.937 -3.614 -5.201) 6.981 36.312 ( -6.112 0.214 2.352) 6.553 36.411 ( -5.520 -3.977 1.327) 6.932 36.638 ( -21.359 -5.562 24.359) 32.871 38.885 ( 9.195 9.738 1.406) 13.466 ======================= Grid point 89 (39/114) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( -3.871 -6.918 3.479) 8.657 1.972 ( -6.555 -2.540 3.975) 8.076 2.305 ( 3.651 -4.999 1.285) 6.322 2.576 ( 6.929 7.503 -4.610) 11.205 2.828 ( 2.640 9.450 -2.945) 10.244 2.855 ( -1.276 0.403 -8.628) 8.731 2.907 ( 4.073 -9.688 -5.372) 11.803 3.188 ( 3.730 -14.066 3.431) 14.951 3.411 ( 12.028 -7.387 -6.275) 15.447 3.523 ( 1.637 -1.842 -5.741) 6.247 3.555 ( -3.513 -2.881 0.286) 4.552 3.688 ( 5.865 -8.834 0.386) 10.610 3.759 ( -1.440 -1.643 -4.421) 4.931 3.863 ( 3.111 2.532 1.596) 4.317 4.120 ( -13.745 -4.713 2.184) 14.694 4.186 ( -2.109 1.686 10.677) 11.014 4.439 ( -1.219 -3.942 2.907) 5.047 4.831 ( 1.584 -0.302 -0.795) 1.798 4.929 ( -7.046 -0.171 -3.560) 7.897 5.011 ( 1.683 -0.558 7.086) 7.304 5.115 ( -1.789 -1.578 -2.544) 3.487 5.387 ( -5.320 6.571 -1.427) 8.574 5.718 ( 3.374 5.503 -1.074) 6.544 5.792 ( 5.873 5.282 4.197) 8.945 5.848 ( 0.631 -7.346 -1.515) 7.527 6.016 ( 1.522 11.584 1.165) 11.742 6.073 ( -2.659 -1.975 -1.016) 3.464 6.340 ( 2.531 -4.759 -0.836) 5.455 6.406 ( -0.672 4.721 2.879) 5.570 6.673 ( 4.557 -0.027 0.154) 4.559 7.843 ( 1.014 2.076 -0.986) 2.512 7.935 ( 1.112 8.815 1.361) 8.989 8.128 ( -8.201 5.582 -3.202) 10.424 8.644 ( 2.281 -5.370 -0.139) 5.836 8.836 ( -0.936 -5.514 1.417) 5.770 9.015 ( -3.710 0.162 -0.753) 3.789 9.163 ( 0.024 -3.998 2.860) 4.916 9.454 ( -1.026 1.142 0.367) 1.578 9.532 ( 4.214 2.521 3.286) 5.909 9.625 ( 0.057 -0.314 -3.018) 3.035 9.799 ( -1.406 1.344 -3.452) 3.962 10.125 ( 5.510 -0.988 -0.885) 5.667 10.239 ( 0.791 5.905 -1.514) 6.148 10.320 ( 0.590 10.000 0.116) 10.018 10.527 ( 1.181 0.313 4.390) 4.557 10.911 ( 2.443 6.285 -0.669) 6.776 10.989 ( 1.539 5.767 2.246) 6.377 11.249 ( -2.440 -3.651 0.998) 4.503 11.503 ( 0.820 -3.430 -5.021) 6.136 11.615 ( 3.557 0.121 6.405) 7.328 11.781 ( -1.292 5.782 0.082) 5.925 11.943 ( 7.673 5.160 -6.469) 11.285 12.123 ( 3.912 6.356 0.042) 7.463 12.192 ( -5.198 -5.110 -2.241) 7.626 12.396 ( -1.891 1.431 3.614) 4.323 12.502 ( -1.031 -0.960 2.116) 2.542 12.606 ( -1.460 9.106 -3.510) 9.868 12.857 ( -2.816 -3.484 -0.922) 4.574 13.309 ( -3.262 -2.371 -3.461) 5.314 13.375 ( 0.570 -0.798 5.401) 5.489 13.524 ( -1.781 5.984 -0.507) 6.264 14.040 ( 13.077 -0.846 7.753) 15.226 14.231 ( -10.467 -7.995 -10.211) 16.666 14.670 ( 1.356 2.942 -2.560) 4.129 14.867 ( -1.115 -10.909 3.774) 11.597 15.109 ( 0.238 -7.007 1.517) 7.173 15.235 ( -0.986 -15.483 0.719) 15.531 15.393 ( -1.695 -9.655 -0.780) 9.834 16.172 ( -0.364 -2.399 -6.556) 6.990 16.315 ( 3.786 6.831 4.424) 8.976 16.458 ( 1.180 0.982 4.475) 4.731 16.477 ( -3.229 0.167 -3.944) 5.100 17.029 ( -0.523 -4.945 -2.086) 5.392 17.144 ( -0.254 -4.960 0.628) 5.006 17.423 ( -0.467 -4.494 -0.655) 4.565 17.560 ( 0.183 0.829 2.143) 2.305 20.104 ( -1.114 -1.445 -1.843) 2.594 20.116 ( -0.237 -6.222 -3.418) 7.103 20.659 ( -1.645 10.986 2.261) 11.337 20.887 ( 1.322 7.133 -1.572) 7.423 22.207 ( -0.128 -12.817 2.938) 13.150 22.627 ( 2.027 -9.718 -2.125) 10.152 23.006 ( -1.760 10.381 4.133) 11.311 23.394 ( 1.779 7.200 -1.682) 7.605 27.390 ( -1.426 -20.367 1.631) 20.482 27.405 ( -1.073 -20.101 -1.306) 20.172 28.878 ( -1.322 21.832 -0.708) 21.883 29.454 ( 6.033 11.248 -1.491) 12.850 30.718 ( -0.768 -9.540 -0.916) 9.614 30.805 ( -2.937 -11.303 -0.216) 11.680 30.823 ( -2.025 -6.756 1.540) 7.219 31.381 ( -2.575 -2.852 -1.705) 4.204 31.530 ( -2.560 -3.989 2.031) 5.157 31.793 ( 1.244 10.338 -0.265) 10.416 31.911 ( 2.891 12.563 -1.923) 13.034 32.752 ( 4.609 -9.081 -1.299) 10.266 33.118 ( 2.909 -11.708 -1.504) 12.157 33.387 ( -4.824 4.331 3.746) 7.487 33.753 ( 7.615 12.034 -17.315) 22.419 33.925 ( 12.632 15.397 -8.965) 21.840 35.386 ( -1.926 -2.222 1.579) 3.338 35.500 ( -0.818 -0.734 1.614) 1.952 35.642 ( -5.874 -1.388 6.747) 9.053 36.063 ( 1.625 -0.494 -3.942) 4.293 36.291 ( -1.142 -0.045 0.242) 1.168 36.449 ( -5.390 -1.517 6.460) 8.549 36.801 ( -9.420 -14.727 10.894) 20.598 38.700 ( 5.736 16.458 -1.851) 17.527 ======================= Grid point 90 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -3.699 4.757 1.341) 6.173 2.068 ( 0.603 -19.551 0.139) 19.561 2.297 ( -2.677 7.506 0.936) 8.024 2.544 ( 2.746 3.155 1.285) 4.375 2.568 ( 1.586 7.730 -3.839) 8.775 2.814 ( -2.980 -5.028 -6.884) 9.030 3.141 ( 7.271 -7.258 -1.491) 10.382 3.378 ( 0.753 3.841 3.189) 5.048 3.428 ( 10.992 2.801 -10.962) 15.775 3.581 ( -6.162 -0.550 -0.694) 6.225 3.636 ( -1.306 -7.611 -3.141) 8.337 3.804 ( 0.681 -7.109 -1.905) 7.391 3.816 ( 9.715 -1.690 -1.849) 10.032 3.903 ( 1.086 0.244 5.329) 5.444 4.105 ( -7.150 -1.063 -0.821) 7.275 4.255 ( 1.464 -3.325 11.410) 11.975 4.487 ( -2.707 0.804 3.522) 4.515 4.812 ( -2.042 0.023 -7.144) 7.430 4.870 ( -1.140 -2.977 -3.876) 5.018 5.075 ( -5.018 -0.101 3.387) 6.054 5.154 ( 2.725 -1.048 -1.110) 3.123 5.248 ( -0.145 0.015 2.521) 2.525 5.590 ( -1.417 4.876 -1.958) 5.442 5.719 ( -2.314 7.244 -2.151) 7.903 5.812 ( -0.044 5.690 4.172) 7.056 5.986 ( 1.988 -4.408 -2.643) 5.510 6.102 ( 1.146 2.798 1.649) 3.444 6.254 ( -2.818 1.316 7.676) 8.282 6.572 ( 2.453 -8.415 -4.392) 9.804 6.683 ( 1.968 1.308 -0.710) 2.468 7.783 ( 2.335 4.323 1.464) 5.127 7.871 ( -0.337 0.815 0.355) 0.950 8.004 ( 0.278 2.263 1.844) 2.932 8.654 ( -3.929 -0.825 -9.886) 10.670 8.979 ( -0.999 -0.452 1.220) 1.641 8.982 ( -0.021 -6.019 3.392) 6.909 9.307 ( -1.108 -3.576 2.736) 4.637 9.424 ( 0.104 0.505 3.365) 3.404 9.466 ( -3.444 4.339 -1.553) 5.753 9.576 ( 2.072 4.252 -0.445) 4.751 9.832 ( 5.355 -5.873 -0.497) 7.963 10.035 ( 1.839 7.961 -1.119) 8.247 10.148 ( -2.696 5.809 -4.557) 7.860 10.284 ( 4.191 -1.949 5.085) 6.872 10.477 ( -2.682 5.534 -0.935) 6.221 10.779 ( 1.702 8.392 -4.357) 9.607 10.903 ( -2.701 3.926 3.803) 6.097 11.300 ( -2.172 -2.667 0.963) 3.572 11.470 ( -2.351 2.634 -3.576) 5.025 11.582 ( 0.155 7.287 -4.515) 8.574 11.697 ( 2.963 2.564 2.955) 4.907 11.978 ( 9.189 1.049 2.135) 9.492 12.038 ( -1.507 -1.566 -1.778) 2.808 12.237 ( -3.667 2.224 1.617) 4.584 12.412 ( -1.984 -7.061 -1.569) 7.501 12.465 ( -2.219 -2.258 -3.895) 5.019 12.614 ( 3.391 -1.818 6.395) 7.463 12.880 ( -0.727 1.524 -0.994) 1.959 13.273 ( -3.223 3.855 -1.788) 5.333 13.431 ( 4.883 -3.636 2.589) 6.615 13.505 ( -1.061 -4.853 3.321) 5.975 13.957 ( -0.838 8.825 -1.455) 8.984 14.406 ( 6.103 -2.795 -2.459) 7.148 14.550 ( -4.403 0.532 0.553) 4.469 15.065 ( -0.084 -8.104 3.248) 8.731 15.243 ( -0.153 -6.565 0.704) 6.604 15.398 ( 0.026 -2.180 0.933) 2.371 15.558 ( 0.216 -7.978 1.350) 8.094 16.109 ( -5.060 0.496 -7.984) 9.465 16.280 ( 5.828 6.303 6.400) 10.708 16.329 ( -1.537 3.743 1.813) 4.434 16.688 ( 0.897 -14.557 -3.126) 14.916 17.100 ( 1.503 -3.550 -1.267) 4.058 17.230 ( -0.227 -4.601 0.900) 4.694 17.429 ( -1.754 2.316 -0.884) 3.037 17.568 ( -0.248 -0.351 1.837) 1.886 20.107 ( -1.123 -3.540 -2.651) 4.563 20.257 ( 2.471 -8.090 -5.068) 9.861 20.466 ( -2.171 9.163 3.024) 9.891 20.756 ( 1.791 7.633 -1.594) 8.001 22.466 ( -0.407 -13.796 2.654) 14.055 22.765 ( -1.331 0.764 -1.994) 2.516 22.871 ( -0.103 -1.083 3.739) 3.894 23.241 ( 1.287 10.095 -1.668) 10.313 27.752 ( 1.225 -20.749 -0.290) 20.787 27.804 ( -2.443 -23.946 2.201) 24.171 28.466 ( 0.169 23.544 0.640) 23.553 29.248 ( 2.068 12.636 -6.948) 14.568 30.839 ( -0.432 -5.931 3.403) 6.851 30.926 ( -1.006 -7.240 0.666) 7.340 31.082 ( 1.962 -13.910 0.775) 14.069 31.407 ( -0.490 -1.812 -1.040) 2.146 31.559 ( -1.632 1.544 -0.390) 2.280 31.628 ( 0.756 7.388 2.230) 7.754 31.721 ( 2.464 8.890 -0.803) 9.260 32.889 ( 4.520 -2.346 -5.714) 7.654 33.249 ( 0.907 4.137 0.200) 4.240 33.328 ( -0.793 -1.878 -1.938) 2.813 33.494 ( 1.404 4.480 -12.641) 13.485 33.738 ( 4.280 10.955 0.897) 11.796 35.411 ( -1.871 -1.120 2.312) 3.178 35.524 ( -0.561 -1.187 1.052) 1.683 35.661 ( -6.030 -1.402 7.339) 9.601 36.058 ( 2.302 -0.148 -3.911) 4.541 36.298 ( -0.510 -1.249 0.680) 1.511 36.451 ( -6.797 0.686 9.330) 11.563 37.104 ( -0.009 -17.911 2.724) 18.117 38.401 ( 2.996 17.692 -4.699) 18.549 ======================= Grid point 91 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 9.507 10.359 13.124) 19.233 2.037 ( 0.226 18.777 5.612) 19.598 2.323 ( 5.873 -1.210 -2.414) 6.464 2.552 ( -6.814 -5.054 -5.326) 10.017 2.645 ( 2.503 -15.609 4.486) 16.433 2.877 ( 0.596 -4.361 -8.747) 9.792 3.138 ( 3.948 13.331 1.389) 13.972 3.252 ( 1.220 8.314 5.722) 10.166 3.436 ( 2.586 0.223 -8.651) 9.032 3.516 ( 1.642 4.464 0.068) 4.756 3.643 ( -2.822 -3.415 -5.127) 6.776 3.787 ( 4.358 14.028 2.081) 14.836 3.843 ( -4.027 0.884 -2.005) 4.584 3.936 ( -6.834 -1.971 -2.149) 7.430 4.067 ( 3.960 -1.910 -1.588) 4.674 4.386 ( 0.821 -1.877 6.329) 6.652 4.475 ( -4.918 -5.143 3.662) 8.003 4.834 ( 1.744 -4.203 -5.420) 7.077 4.904 ( -3.024 -3.872 -6.840) 8.422 4.970 ( -2.616 1.123 -0.228) 2.855 5.203 ( 4.033 -1.418 1.060) 4.404 5.424 ( 5.270 -9.307 5.147) 11.870 5.532 ( -0.998 -1.068 -6.290) 6.458 5.572 ( -4.404 3.190 1.080) 5.544 5.818 ( -0.144 -0.955 5.249) 5.338 5.981 ( 1.397 5.151 0.754) 5.390 6.055 ( -2.298 1.904 2.626) 3.975 6.306 ( -2.895 -3.391 3.300) 5.548 6.613 ( 2.841 1.988 -4.809) 5.929 6.669 ( -4.637 -1.748 -5.160) 7.155 7.795 ( 6.382 -0.002 5.903) 8.694 7.846 ( -3.507 -0.342 -0.133) 3.526 8.084 ( 8.265 -2.147 5.243) 10.020 8.560 ( -4.324 0.595 -9.300) 10.273 8.971 ( -0.988 2.075 -0.320) 2.320 9.072 ( -1.082 -4.223 0.937) 4.458 9.209 ( -6.685 4.459 0.229) 8.039 9.411 ( 0.383 0.206 -0.229) 0.492 9.464 ( 3.385 4.498 2.378) 6.111 9.594 ( 1.300 -6.324 0.737) 6.498 9.873 ( -3.985 7.183 -4.489) 9.361 9.993 ( 0.724 -1.916 2.807) 3.474 10.082 ( 5.051 -1.627 0.758) 5.361 10.316 ( -3.644 5.249 -0.514) 6.411 10.385 ( 3.820 -0.436 2.175) 4.417 10.634 ( 0.700 3.576 -3.903) 5.339 10.872 ( -2.599 -0.553 3.717) 4.569 11.312 ( -1.765 0.258 2.163) 2.804 11.383 ( -2.732 1.504 -2.868) 4.237 11.443 ( -1.254 4.846 -3.042) 5.858 11.673 ( 2.662 4.363 2.211) 5.569 11.921 ( 1.566 5.489 -1.935) 6.028 12.181 ( 2.551 -4.363 1.223) 5.200 12.208 ( 2.266 -2.739 3.224) 4.800 12.455 ( -0.210 -6.042 -3.497) 6.984 12.625 ( -2.086 -11.172 -3.098) 11.780 12.665 ( -2.468 -1.584 0.925) 3.075 12.735 ( -2.756 10.629 -1.910) 11.146 13.195 ( -2.082 1.689 1.388) 3.019 13.518 ( 1.703 -2.004 -0.621) 2.702 13.702 ( 7.037 -6.837 5.532) 11.263 13.793 ( 1.082 6.625 0.491) 6.730 14.285 ( -0.551 8.145 -0.148) 8.165 14.656 ( 1.548 -4.319 1.046) 4.705 15.151 ( -2.803 1.093 2.919) 4.192 15.342 ( 4.643 -3.361 -2.044) 6.085 15.420 ( -3.821 -5.391 -1.474) 6.770 15.614 ( -4.051 1.274 -1.114) 4.390 16.055 ( 0.861 0.134 0.628) 1.074 16.238 ( -1.640 3.023 1.565) 3.778 16.304 ( 5.038 3.606 4.573) 7.701 16.898 ( -1.980 -11.685 -8.637) 14.665 17.164 ( 2.545 -2.212 -1.352) 3.633 17.317 ( 1.083 -3.163 2.983) 4.480 17.339 ( -1.821 4.245 -0.885) 4.703 17.567 ( -1.319 1.051 1.467) 2.235 20.190 ( 0.590 -7.386 -3.092) 8.029 20.217 ( 0.766 9.750 1.038) 9.835 20.498 ( 0.958 -9.589 -1.826) 9.808 20.630 ( 0.944 6.271 -1.075) 6.432 22.592 ( -2.269 10.902 2.406) 11.393 22.705 ( -2.362 -11.288 1.328) 11.608 23.015 ( 1.434 1.022 -2.327) 2.918 23.066 ( 0.919 -0.044 -0.481) 1.038 28.054 ( 0.630 22.283 2.019) 22.384 28.147 ( 4.455 -18.490 1.353) 19.067 28.220 ( -2.655 -23.587 1.287) 23.771 28.957 ( -4.543 12.176 -13.812) 18.965 30.961 ( 1.413 -2.931 5.875) 6.716 31.035 ( -1.330 -4.665 0.345) 4.863 31.246 ( 0.779 -1.271 -0.858) 1.720 31.384 ( -1.195 1.975 -1.185) 2.595 31.490 ( 3.485 2.771 0.005) 4.452 31.616 ( -2.342 -0.723 4.226) 4.885 31.672 ( 9.585 -0.614 1.759) 9.764 32.756 ( 3.704 12.664 -14.686) 19.743 33.131 ( -0.744 6.115 2.563) 6.672 33.319 ( -0.193 -1.056 -0.725) 1.295 33.493 ( -1.059 1.615 -1.739) 2.599 33.660 ( 2.193 -2.731 -0.684) 3.569 35.423 ( -1.686 -0.002 3.038) 3.475 35.535 ( -0.341 0.206 0.675) 0.784 35.673 ( -4.995 -0.180 6.551) 8.240 36.065 ( 2.657 -0.699 -3.090) 4.135 36.334 ( -1.949 -3.006 1.488) 3.880 36.433 ( -7.556 0.773 9.088) 11.844 37.426 ( 3.585 -13.709 -0.357) 14.175 38.107 ( 1.369 11.838 -5.823) 13.264 ======================= Grid point 92 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.743 ( 3.007 19.965 16.287) 25.941 1.859 ( 21.620 9.892 19.223) 30.574 2.272 ( -6.429 7.762 -0.415) 10.087 2.502 ( -3.495 5.879 -6.044) 9.127 2.748 ( -4.027 4.095 2.866) 6.419 2.884 ( 0.339 7.442 4.050) 8.480 2.976 ( 15.306 6.331 2.313) 16.725 3.233 ( 8.528 5.527 1.532) 10.277 3.315 ( -0.099 5.236 -2.187) 5.675 3.469 ( 1.024 0.148 -7.594) 7.664 3.578 ( 5.360 4.234 -8.063) 10.568 3.685 ( 1.917 3.158 -3.021) 4.772 3.728 ( -7.217 -4.419 -3.341) 9.098 3.956 ( -8.126 -7.074 2.332) 11.023 4.137 ( 2.627 -0.652 -1.858) 3.283 4.405 ( -3.906 -0.251 -0.380) 3.933 4.587 ( -7.239 -7.961 3.615) 11.352 4.847 ( -2.374 -4.158 -3.932) 6.196 4.942 ( -0.550 2.463 0.640) 2.604 4.993 ( 1.275 -7.027 -3.979) 8.176 5.284 ( 2.418 -3.845 -0.222) 4.548 5.468 ( -1.572 2.920 -5.913) 6.780 5.574 ( 5.941 -1.816 2.290) 6.621 5.667 ( -0.978 -9.722 1.807) 9.937 5.816 ( -6.354 2.512 1.771) 7.059 5.876 ( 4.323 8.087 0.538) 9.186 6.050 ( -0.764 -0.284 10.026) 10.059 6.347 ( -4.332 -4.218 -1.653) 6.268 6.553 ( 3.196 4.471 -2.588) 6.074 6.595 ( -6.394 -0.444 -9.302) 11.296 7.826 ( -2.804 -0.527 -0.603) 2.916 7.931 ( 9.657 -1.207 9.663) 13.715 8.170 ( 0.490 -1.644 0.872) 1.925 8.498 ( -2.874 -1.274 -4.081) 5.151 8.927 ( 1.766 2.200 1.183) 3.059 9.092 ( 0.458 1.724 1.757) 2.504 9.186 ( -2.342 -4.104 1.347) 4.913 9.385 ( 4.069 3.161 -2.172) 5.592 9.466 ( 0.443 -0.993 2.346) 2.586 9.586 ( -2.969 6.648 -5.159) 8.923 9.817 ( 2.313 -3.797 1.525) 4.701 10.031 ( -0.152 0.854 1.656) 1.869 10.051 ( -8.606 -2.037 -1.651) 8.997 10.255 ( 5.068 4.418 -0.174) 6.726 10.445 ( 2.775 -2.629 3.369) 5.095 10.656 ( 0.411 -5.276 -1.708) 5.561 10.925 ( -2.582 -4.606 2.542) 5.860 11.291 ( -0.490 2.812 4.879) 5.653 11.371 ( -2.989 -0.277 0.966) 3.153 11.391 ( 4.934 -3.006 -1.559) 5.984 11.623 ( 2.785 3.852 0.622) 4.794 11.805 ( 0.238 6.348 -3.940) 7.475 12.255 ( 3.701 -2.750 -1.161) 4.754 12.313 ( -0.053 -1.946 3.742) 4.218 12.487 ( -2.557 7.908 -0.874) 8.357 12.586 ( -1.074 -5.641 -3.493) 6.722 12.674 ( -0.336 -4.584 -0.992) 4.702 12.761 ( -4.636 -7.632 -4.829) 10.152 13.201 ( -0.910 -1.880 4.504) 4.965 13.527 ( 0.479 1.080 -1.132) 1.636 13.647 ( 3.272 6.649 0.106) 7.411 13.866 ( 0.718 1.333 -3.200) 3.540 14.259 ( 6.644 -2.331 8.910) 11.356 14.685 ( 1.185 2.793 1.635) 3.446 15.059 ( -0.496 7.386 2.856) 7.935 15.323 ( -6.183 2.845 -6.597) 9.478 15.462 ( -2.277 0.390 -2.689) 3.545 15.623 ( -0.425 -9.061 -3.018) 9.560 16.002 ( 0.383 8.832 3.451) 9.490 16.185 ( 3.443 5.877 7.365) 10.032 16.364 ( 1.078 -6.521 -1.775) 6.843 16.944 ( -4.770 -3.106 -12.784) 13.994 17.152 ( -1.478 3.323 -0.201) 3.643 17.274 ( -0.189 1.275 -2.188) 2.539 17.395 ( 3.614 -0.580 2.879) 4.657 17.534 ( -1.983 1.685 1.169) 2.853 20.071 ( 0.850 7.807 3.647) 8.659 20.301 ( 3.768 -2.539 -5.078) 6.814 20.529 ( -2.406 -0.620 1.570) 2.939 20.705 ( 1.712 -10.324 -1.739) 10.608 22.375 ( -1.810 12.602 2.803) 13.036 22.797 ( 3.168 9.904 -2.935) 10.805 22.885 ( -5.655 -6.214 1.315) 8.505 23.233 ( 1.243 -9.958 -2.416) 10.322 27.671 ( 1.028 21.881 2.929) 22.100 28.313 ( -7.044 9.449 -14.505) 18.689 28.622 ( -0.579 -21.700 1.622) 21.768 28.769 ( 0.324 -11.587 -3.449) 12.094 30.945 ( -0.340 5.266 0.284) 5.285 31.100 ( -2.703 -0.697 4.015) 4.890 31.165 ( -1.966 6.104 -1.236) 6.531 31.383 ( 6.066 2.306 4.736) 8.035 31.535 ( -1.213 -4.840 -0.393) 5.005 31.632 ( -2.739 -5.697 2.219) 6.699 31.829 ( 13.795 -0.453 -2.070) 13.957 32.496 ( 9.295 9.590 -11.504) 17.627 33.075 ( 5.720 3.804 4.978) 8.483 33.262 ( 0.350 8.173 1.237) 8.273 33.468 ( -1.888 -2.474 1.350) 3.392 33.780 ( 0.996 -8.704 -5.567) 10.380 35.419 ( -1.489 0.973 3.199) 3.660 35.519 ( -0.462 1.650 0.868) 1.921 35.664 ( -3.443 1.115 5.040) 6.204 36.087 ( 2.173 -1.038 -2.016) 3.141 36.383 ( -3.885 -3.698 0.411) 5.379 36.416 ( -8.240 -0.112 10.363) 13.240 37.495 ( -7.261 5.650 -1.913) 9.397 38.077 ( 8.424 -8.983 -3.664) 12.848 ======================= Grid point 96 (43/114) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 2.684 0.000 1.692) 3.173 2.022 ( 16.198 0.000 10.609) 19.363 2.063 ( 4.499 0.000 3.057) 5.440 2.572 ( -0.091 -0.000 -5.706) 5.707 2.788 ( 7.978 0.000 -8.116) 11.380 2.857 ( -6.047 -0.000 -12.623) 13.997 2.965 ( 3.702 0.000 0.909) 3.812 3.014 ( 0.465 0.000 -1.284) 1.365 3.244 ( 1.095 0.000 -3.546) 3.711 3.267 ( -9.692 -0.000 2.828) 10.096 3.485 ( 3.542 0.000 -4.866) 6.019 3.642 ( 4.601 0.000 -1.542) 4.852 3.728 ( 3.843 0.000 -5.074) 6.365 3.863 ( 3.993 0.000 0.963) 4.107 4.032 ( -20.596 -0.000 2.653) 20.766 4.247 ( -1.858 -0.000 7.090) 7.330 4.308 ( -3.355 -0.000 5.157) 6.153 4.849 ( -2.559 -0.000 1.467) 2.950 4.906 ( -3.258 -0.000 4.266) 5.368 5.083 ( -0.775 -0.000 1.102) 1.347 5.089 ( 2.590 0.000 -3.117) 4.053 5.519 ( 0.625 0.000 -1.164) 1.321 5.592 ( -3.739 -0.000 -4.851) 6.125 5.825 ( 7.359 0.000 2.538) 7.785 5.868 ( 7.180 0.000 3.877) 8.160 5.985 ( 9.493 0.000 -2.739) 9.880 6.230 ( -2.655 -0.000 2.356) 3.550 6.304 ( -2.351 -0.000 -2.290) 3.282 6.640 ( 2.500 0.000 2.530) 3.557 6.653 ( -1.286 -0.000 1.578) 2.036 7.900 ( 4.661 0.000 1.840) 5.011 8.160 ( 5.153 0.000 3.633) 6.305 8.273 ( -9.253 -0.000 -2.979) 9.721 8.484 ( -3.631 -0.000 -3.124) 4.790 8.730 ( -5.163 -0.000 -0.589) 5.197 8.928 ( -0.146 -0.000 1.898) 1.904 9.317 ( 0.369 0.000 -0.029) 0.370 9.461 ( 2.282 0.000 1.627) 2.802 9.518 ( -0.124 -0.000 -2.816) 2.819 9.602 ( 5.062 0.000 -1.456) 5.268 9.807 ( 1.694 0.000 0.763) 1.858 10.085 ( 3.277 0.000 0.163) 3.281 10.356 ( -2.227 -0.000 -1.707) 2.805 10.357 ( -3.731 -0.000 -1.759) 4.125 10.698 ( 5.199 0.000 3.506) 6.270 11.007 ( 0.125 0.000 8.369) 8.370 11.086 ( 4.832 0.000 -3.235) 5.815 11.212 ( 0.743 0.000 -1.553) 1.721 11.382 ( 2.323 0.000 1.418) 2.722 11.638 ( 4.612 0.000 -0.558) 4.645 11.921 ( -10.603 -0.000 3.737) 11.242 11.940 ( 7.588 0.000 5.621) 9.443 12.089 ( -5.439 -0.000 -5.485) 7.724 12.314 ( 0.302 0.000 -1.912) 1.936 12.460 ( -11.838 -0.000 -5.155) 12.912 12.625 ( 17.130 0.000 -3.326) 17.450 12.830 ( -3.163 -0.000 -3.888) 5.012 12.971 ( -0.546 -0.000 -1.844) 1.923 13.332 ( -4.430 -0.000 4.100) 6.036 13.369 ( -0.201 -0.000 -1.225) 1.242 13.625 ( 4.122 0.000 2.395) 4.768 13.721 ( 1.683 0.000 1.846) 2.498 14.263 ( -3.944 -0.000 -5.756) 6.978 14.439 ( -0.892 -0.000 -1.080) 1.401 14.526 ( -0.706 -0.000 -2.356) 2.459 14.794 ( -1.660 -0.000 4.791) 5.070 15.020 ( 0.763 0.000 -0.400) 0.861 15.243 ( 0.406 0.000 -1.014) 1.092 15.961 ( -0.669 -0.000 -4.019) 4.074 16.535 ( 2.510 0.000 -1.647) 3.003 16.566 ( 0.408 0.000 2.266) 2.302 16.654 ( 0.692 0.000 2.566) 2.658 16.910 ( -0.849 -0.000 -0.658) 1.074 16.976 ( -0.727 -0.000 -0.571) 0.925 17.246 ( 0.099 0.000 -0.120) 0.156 17.576 ( 0.530 0.000 2.057) 2.125 19.947 ( -1.182 -0.000 -4.470) 4.624 20.159 ( -1.369 -0.000 0.843) 1.608 20.943 ( -0.925 -0.000 0.887) 1.282 20.984 ( -0.929 -0.000 0.036) 0.930 21.954 ( 0.095 0.000 2.664) 2.665 22.413 ( 2.235 0.000 -1.471) 2.676 23.262 ( -0.740 -0.000 2.430) 2.540 23.522 ( 1.700 0.000 -1.488) 2.259 26.965 ( -0.131 -0.000 0.075) 0.150 26.972 ( -0.066 -0.000 -0.024) 0.070 29.409 ( -0.623 -0.000 -0.827) 1.035 29.664 ( 3.947 0.000 -0.321) 3.960 30.311 ( -2.094 -0.000 -1.890) 2.820 30.692 ( -2.798 -0.000 2.014) 3.447 30.705 ( -2.224 -0.000 -0.138) 2.229 31.309 ( -2.397 -0.000 -2.195) 3.251 31.431 ( -2.175 -0.000 1.205) 2.487 32.064 ( 0.901 0.000 -0.821) 1.219 32.238 ( 1.316 0.000 -0.294) 1.349 32.496 ( 3.948 0.000 -0.351) 3.963 32.795 ( 3.899 0.000 -1.270) 4.101 33.473 ( -4.972 -0.000 4.215) 6.518 33.951 ( 5.693 0.000 -10.718) 12.136 34.359 ( 27.731 0.000 -36.739) 46.030 35.321 ( -1.052 -0.000 1.166) 1.571 35.532 ( 0.564 0.000 -1.462) 1.567 35.619 ( -6.111 -0.000 6.056) 8.604 35.986 ( 3.086 0.000 -3.213) 4.455 36.257 ( -10.479 -0.000 5.862) 12.007 36.323 ( -3.821 -0.000 -1.343) 4.050 36.632 ( -14.924 -0.000 29.749) 33.283 39.038 ( 4.881 0.000 0.647) 4.923 ======================= Grid point 97 (44/114) ======================= q-point: (-0.50 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( -1.260 -4.044 2.979) 5.179 1.905 ( -6.525 15.980 1.323) 17.312 2.210 ( 4.668 -9.564 1.221) 10.712 2.664 ( -4.603 -4.116 -6.418) 8.906 2.730 ( 9.476 -1.617 -7.417) 12.142 2.757 ( 6.302 -3.369 -6.847) 9.897 2.979 ( 0.457 2.793 -5.187) 5.909 3.146 ( -0.264 4.305 -1.475) 4.559 3.230 ( 4.193 -12.029 2.168) 12.922 3.339 ( -6.661 -14.386 -3.976) 16.344 3.522 ( 6.420 -2.056 -4.515) 8.113 3.652 ( 3.099 1.292 -1.789) 3.805 3.736 ( 6.831 1.412 -2.400) 7.377 3.916 ( 3.055 0.324 4.464) 5.419 3.937 ( -13.212 -4.486 2.500) 14.175 4.265 ( -2.867 1.068 11.390) 11.794 4.359 ( -2.701 -4.450 3.651) 6.359 4.828 ( -2.475 0.226 -0.508) 2.537 4.897 ( -3.017 1.847 2.252) 4.194 5.021 ( -3.753 2.080 -4.135) 5.959 5.125 ( 4.397 -1.384 4.074) 6.152 5.441 ( -2.469 4.375 -4.566) 6.789 5.647 ( 1.960 -7.587 -2.083) 8.109 5.842 ( 0.606 2.591 -0.043) 2.661 5.968 ( 5.353 -0.014 0.938) 5.435 6.035 ( 0.366 2.447 0.261) 2.488 6.187 ( 2.055 1.369 2.085) 3.232 6.244 ( -0.634 2.141 0.345) 2.259 6.572 ( -1.407 8.166 2.511) 8.658 6.687 ( 1.232 -1.469 1.344) 2.341 7.889 ( 0.359 2.831 -2.739) 3.955 8.108 ( -0.916 7.039 2.109) 7.405 8.192 ( -0.267 4.826 0.791) 4.897 8.492 ( -4.417 -5.440 -7.386) 10.181 8.765 ( 2.186 -3.340 5.986) 7.195 8.980 ( 1.002 -3.607 4.392) 5.771 9.214 ( -0.348 7.105 1.088) 7.196 9.456 ( -1.413 0.572 -2.342) 2.794 9.580 ( 2.386 -2.862 2.389) 4.427 9.608 ( 0.688 0.411 -3.868) 3.950 9.819 ( 1.841 1.121 0.686) 2.262 10.089 ( -1.956 -1.124 -5.377) 5.831 10.274 ( -1.424 0.777 -2.991) 3.403 10.398 ( -0.455 -2.249 -4.339) 4.908 10.653 ( 0.473 8.443 5.749) 10.226 10.999 ( -2.907 3.137 2.509) 4.959 11.103 ( 4.263 2.595 -2.036) 5.389 11.183 ( -3.354 -0.204 -1.005) 3.507 11.425 ( 0.731 -2.815 -0.746) 3.003 11.676 ( 5.517 -0.222 1.606) 5.750 11.819 ( -8.993 3.932 -1.467) 9.924 11.990 ( -4.390 -3.244 -2.623) 6.056 12.093 ( 9.382 1.450 5.926) 11.191 12.330 ( -2.029 2.673 -4.916) 5.952 12.426 ( 5.295 -1.438 4.093) 6.845 12.547 ( 5.641 11.305 -0.953) 12.670 12.787 ( 0.632 4.873 -0.213) 4.918 12.804 ( -1.630 7.459 -1.999) 7.893 13.275 ( -3.563 1.239 -1.519) 4.067 13.377 ( 0.515 -0.422 5.511) 5.551 13.645 ( 0.261 5.754 -0.558) 5.786 13.853 ( -4.612 -15.959 -4.245) 17.146 14.240 ( 7.281 4.417 4.801) 9.776 14.549 ( 1.161 -12.242 0.001) 12.297 14.716 ( 3.479 -11.656 -1.050) 12.209 14.901 ( -3.663 -13.741 4.392) 14.883 15.061 ( 1.410 -3.168 1.667) 3.848 15.252 ( -0.293 -3.166 -0.878) 3.298 16.000 ( -1.719 -8.061 -8.803) 12.059 16.467 ( -0.852 4.829 -2.575) 5.538 16.515 ( 3.416 7.238 5.765) 9.864 16.608 ( -0.561 7.710 2.694) 8.187 16.935 ( 0.791 -4.289 -0.572) 4.399 17.045 ( -0.367 -5.651 0.047) 5.663 17.317 ( 0.419 -6.219 0.048) 6.234 17.577 ( -1.416 0.342 0.851) 1.687 19.965 ( 0.946 -5.019 -4.718) 6.953 20.114 ( -3.115 2.028 -2.794) 4.650 20.834 ( -1.621 8.624 1.226) 8.861 20.977 ( 0.256 2.591 -1.240) 2.884 22.038 ( -0.264 -7.402 3.646) 8.255 22.481 ( 1.476 -6.505 -1.773) 6.902 23.187 ( -1.616 8.208 2.968) 8.876 23.494 ( 1.359 3.571 -1.753) 4.203 27.082 ( -0.872 -12.716 0.715) 12.766 27.097 ( 0.548 -13.088 -0.282) 13.103 29.225 ( 0.236 16.890 -0.280) 16.894 29.628 ( 1.212 6.092 -2.844) 6.832 30.463 ( 2.407 -14.519 0.875) 14.743 30.704 ( -1.645 -2.099 2.913) 3.949 30.735 ( -0.038 -3.478 2.085) 4.055 31.313 ( -0.035 -2.481 -1.064) 2.700 31.450 ( -2.164 -3.108 0.788) 3.868 31.973 ( 0.705 8.596 -0.609) 8.647 32.130 ( 0.976 10.263 -2.010) 10.503 32.606 ( 1.961 -8.413 -0.648) 8.663 32.923 ( 2.349 -10.134 -1.576) 10.521 33.443 ( -3.787 2.478 5.208) 6.899 33.879 ( 7.658 6.231 -15.833) 18.659 34.217 ( 17.592 13.070 -27.465) 35.138 35.342 ( -0.978 -1.974 1.523) 2.678 35.507 ( -0.563 1.257 0.517) 1.471 35.610 ( -6.667 -0.841 6.609) 9.425 36.031 ( 2.627 -2.251 -4.177) 5.423 36.278 ( 0.016 -2.468 0.467) 2.512 36.318 ( -4.963 -6.033 -0.575) 7.833 36.706 ( -12.212 -1.630 30.470) 32.866 38.961 ( 0.980 10.185 -2.460) 10.524 ======================= Grid point 98 (45/114) ======================= q-point: (-0.38 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.687 ( -7.939 -3.390 -2.652) 9.031 1.952 ( -5.598 -6.668 1.699) 8.871 2.347 ( 3.619 -1.029 -2.288) 4.404 2.521 ( -0.752 2.724 -10.121) 10.508 2.803 ( 3.514 4.182 -6.347) 8.374 2.831 ( -2.914 8.864 0.381) 9.338 2.977 ( 8.632 -10.859 -1.618) 13.966 3.209 ( -2.722 -16.668 0.848) 16.910 3.419 ( -1.535 -4.175 -7.275) 8.527 3.502 ( 5.313 -6.002 -2.336) 8.350 3.590 ( 9.202 -0.136 -2.516) 9.541 3.693 ( -2.119 -7.163 -3.524) 8.259 3.782 ( 5.722 -1.943 1.823) 6.312 3.938 ( -5.099 -1.231 9.989) 11.283 3.991 ( -0.317 -3.797 -1.743) 4.190 4.304 ( -3.176 -0.420 12.956) 13.346 4.444 ( -2.330 -4.473 2.350) 5.564 4.748 ( -4.739 1.814 -5.823) 7.724 4.834 ( 0.184 1.724 -3.238) 3.673 5.036 ( 0.081 -4.505 3.771) 5.875 5.215 ( 5.064 -0.317 4.577) 6.833 5.295 ( -1.453 6.637 -3.423) 7.608 5.702 ( -2.994 7.912 -4.832) 9.742 5.830 ( -0.986 -8.560 -1.193) 8.699 5.860 ( 0.014 10.136 3.400) 10.691 5.922 ( -2.582 5.961 -3.551) 7.403 6.204 ( 6.050 3.052 6.536) 9.415 6.347 ( -1.680 -6.805 -2.536) 7.454 6.410 ( -1.766 6.084 3.840) 7.408 6.710 ( 0.027 0.148 -0.078) 0.169 7.816 ( -1.840 1.804 -3.187) 4.098 7.996 ( 1.586 7.384 4.662) 8.876 8.128 ( 8.041 5.236 3.701) 10.284 8.473 ( -8.171 -4.433 -12.230) 15.362 8.891 ( 0.105 -5.115 3.286) 6.081 9.022 ( 2.426 3.151 1.765) 4.351 9.234 ( 0.929 -5.243 7.128) 8.897 9.421 ( -2.022 0.098 -1.610) 2.586 9.531 ( -3.513 4.988 -2.786) 6.707 9.609 ( 0.364 -0.376 -1.320) 1.420 9.874 ( 10.049 -0.915 5.472) 11.479 10.042 ( -5.113 -0.997 -8.156) 9.677 10.206 ( -2.564 3.862 -5.214) 6.977 10.368 ( 1.035 3.914 2.192) 4.604 10.534 ( -4.032 5.296 1.064) 6.741 10.903 ( -1.617 6.214 -1.658) 6.631 10.989 ( -2.365 6.231 -1.106) 6.755 11.218 ( -1.143 -3.987 -0.342) 4.162 11.443 ( -2.816 -0.353 -4.857) 5.626 11.653 ( -2.978 5.556 -6.801) 9.273 11.749 ( 3.260 -1.417 6.310) 7.242 12.054 ( 1.877 -4.519 1.327) 5.070 12.079 ( -3.503 3.860 -5.010) 7.230 12.217 ( 8.087 7.327 3.059) 11.333 12.376 ( 0.278 0.828 2.185) 2.353 12.493 ( -2.977 8.549 -0.750) 9.083 12.699 ( 6.286 2.025 6.706) 9.412 12.830 ( 0.676 -3.380 -0.209) 3.453 13.249 ( -1.151 -1.313 -1.886) 2.570 13.460 ( 0.897 -3.299 5.161) 6.191 13.521 ( 2.657 5.425 2.474) 6.527 13.967 ( -9.012 -4.833 -6.289) 12.005 14.333 ( 11.051 -4.146 5.650) 13.085 14.630 ( -0.601 5.760 -5.019) 7.663 14.902 ( -0.976 -11.610 5.246) 12.778 15.145 ( -0.530 -4.998 2.137) 5.462 15.264 ( 2.821 -15.597 4.279) 16.418 15.397 ( 2.143 -11.267 2.013) 11.644 16.036 ( -2.566 -1.780 -9.745) 10.233 16.375 ( -4.601 2.086 -4.095) 6.503 16.462 ( 3.196 6.107 6.929) 9.773 16.520 ( 3.789 -0.682 2.269) 4.469 17.034 ( 1.804 -4.718 -0.255) 5.058 17.139 ( -0.147 -5.481 0.363) 5.495 17.411 ( -0.093 -2.832 -0.831) 2.953 17.562 ( -2.126 -0.276 0.738) 2.267 20.042 ( -2.526 -0.261 -4.812) 5.441 20.082 ( 3.100 -8.760 -5.088) 10.594 20.655 ( -1.947 10.534 1.942) 10.887 20.886 ( 1.001 6.569 -1.736) 6.868 22.240 ( -0.731 -12.416 4.230) 13.137 22.624 ( 0.922 -9.084 -2.328) 9.423 23.016 ( -2.826 10.035 3.728) 11.072 23.396 ( 1.172 7.218 -2.021) 7.587 27.378 ( -2.565 -20.371 0.993) 20.556 27.419 ( 3.920 -20.165 0.985) 20.566 28.884 ( 1.777 21.554 1.222) 21.661 29.427 ( -2.948 12.189 -7.200) 14.461 30.749 ( 2.720 -8.003 2.583) 8.839 30.797 ( -0.096 -8.920 3.890) 9.732 30.867 ( 2.976 -10.340 3.794) 11.409 31.373 ( 2.089 -2.877 0.358) 3.573 31.499 ( -2.210 -3.441 -0.060) 4.090 31.808 ( 0.649 9.542 0.489) 9.577 31.925 ( 1.727 11.355 -1.944) 11.649 32.770 ( 0.404 -8.722 -2.402) 9.056 33.119 ( 0.739 -11.294 -3.395) 11.816 33.388 ( -1.936 4.609 5.763) 7.629 33.626 ( 6.637 14.555 -26.883) 31.283 33.970 ( 5.777 11.790 -6.567) 14.680 35.381 ( -1.277 -2.056 2.060) 3.178 35.505 ( -0.586 -0.871 1.055) 1.488 35.622 ( -6.218 -1.895 6.816) 9.419 36.044 ( 1.809 -0.609 -4.157) 4.574 36.286 ( 0.142 -0.086 -0.094) 0.191 36.429 ( -2.632 -4.568 2.911) 6.022 36.886 ( -3.683 -10.159 20.618) 23.278 38.691 ( -1.085 16.269 -5.958) 17.359 ======================= Grid point 99 (46/114) ======================= q-point: (-0.25 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.854 ( -0.904 -15.292 -1.503) 15.392 2.079 ( -4.580 -11.946 -1.978) 12.946 2.345 ( 6.439 3.297 2.760) 7.742 2.483 ( 0.102 -2.711 -12.610) 12.899 2.617 ( 0.842 9.630 4.452) 10.643 2.721 ( -1.079 -1.121 -3.089) 3.459 3.246 ( 4.510 -8.172 -2.154) 9.579 3.372 ( -2.058 -4.720 -0.928) 5.232 3.450 ( -0.328 6.843 5.275) 8.646 3.476 ( 2.227 -0.004 -7.273) 7.606 3.661 ( 7.259 0.064 -1.506) 7.414 3.784 ( -5.994 -5.252 -3.673) 8.775 3.825 ( -0.974 -0.124 -3.046) 3.201 3.970 ( -1.285 2.105 8.711) 9.053 4.043 ( 1.689 -3.138 -0.085) 3.565 4.319 ( -11.316 -2.717 3.862) 12.262 4.484 ( 1.114 1.269 2.260) 2.821 4.759 ( 4.213 -4.488 -2.884) 6.798 4.811 ( 0.041 -1.465 -2.200) 2.643 5.082 ( 4.534 10.778 0.550) 11.706 5.189 ( 3.222 -6.551 1.484) 7.449 5.321 ( -0.087 -3.588 2.760) 4.528 5.518 ( -1.568 3.767 -3.905) 5.647 5.671 ( -1.248 10.009 0.097) 10.087 5.838 ( -0.097 0.862 2.785) 2.917 5.959 ( -1.959 -5.896 -2.704) 6.776 6.146 ( 0.025 7.735 0.760) 7.772 6.318 ( -0.933 2.421 9.051) 9.415 6.476 ( -4.499 -6.733 -6.454) 10.355 6.685 ( -0.406 2.016 -0.514) 2.120 7.793 ( 1.358 -0.728 -0.723) 1.702 7.946 ( 3.940 3.253 7.259) 8.877 8.159 ( 6.940 1.592 1.132) 7.209 8.417 ( -6.565 -3.550 -9.058) 11.737 8.968 ( -2.934 -4.536 -0.107) 5.403 9.009 ( 3.732 1.567 0.081) 4.048 9.257 ( -5.133 3.994 -0.280) 6.510 9.418 ( 1.029 -0.234 -1.016) 1.465 9.488 ( 1.261 -3.025 4.435) 5.514 9.585 ( 1.290 2.933 -2.811) 4.262 9.940 ( 1.092 6.096 -2.226) 6.580 9.958 ( -8.401 -0.391 -3.954) 9.293 10.161 ( 8.972 -0.788 6.290) 10.986 10.341 ( -3.533 -1.100 2.577) 4.509 10.407 ( -2.809 4.779 -1.421) 5.722 10.726 ( -1.211 8.401 -5.621) 10.181 10.902 ( -1.718 2.877 2.790) 4.360 11.262 ( -2.093 -2.740 -2.515) 4.268 11.369 ( -3.457 0.708 -3.120) 4.710 11.517 ( 0.320 5.441 -4.209) 6.886 11.787 ( 0.621 4.402 5.254) 6.882 11.973 ( -2.953 0.479 -3.007) 4.242 12.200 ( 10.021 -1.654 5.696) 11.645 12.213 ( -0.967 -2.079 0.062) 2.294 12.352 ( -1.581 0.745 -2.592) 3.126 12.427 ( 1.854 -3.943 -0.276) 4.366 12.685 ( -0.715 4.019 2.780) 4.939 12.843 ( -2.406 3.111 -1.612) 4.250 13.215 ( -1.809 2.256 -0.712) 2.978 13.479 ( 1.376 -2.324 -0.639) 2.775 13.693 ( 9.542 -6.564 10.481) 15.620 13.899 ( -3.150 2.624 -0.980) 4.215 14.424 ( -2.417 9.929 -3.720) 10.875 14.540 ( 4.119 -8.164 -0.069) 9.144 15.079 ( -3.046 -6.329 3.564) 7.876 15.246 ( -0.043 -6.483 0.394) 6.495 15.445 ( 2.160 -0.301 3.249) 3.913 15.582 ( 0.857 -2.295 1.160) 2.710 15.983 ( -1.720 -3.002 -3.043) 4.608 16.288 ( -2.342 2.349 -1.632) 3.697 16.450 ( 2.516 2.285 4.041) 5.280 16.659 ( 3.652 -8.057 -1.833) 9.034 17.110 ( 0.380 -3.885 -0.990) 4.027 17.264 ( 3.126 -6.055 2.041) 7.113 17.386 ( -1.981 3.125 -1.513) 3.998 17.563 ( -2.182 -0.501 0.506) 2.295 20.051 ( -0.867 -5.472 -4.034) 6.853 20.252 ( 4.921 -8.461 -5.877) 11.417 20.470 ( -2.107 8.566 3.663) 9.551 20.755 ( 0.624 7.532 -1.866) 7.785 22.482 ( -1.914 -12.497 3.553) 13.132 22.730 ( -0.609 1.120 -0.821) 1.516 22.901 ( -0.715 -1.554 2.425) 2.967 23.237 ( 1.081 10.049 -2.167) 10.337 27.750 ( -4.118 -23.144 0.201) 23.509 27.863 ( 9.210 -21.638 3.639) 23.796 28.510 ( 2.668 23.326 2.853) 23.651 29.082 ( -7.676 15.312 -11.883) 20.847 30.890 ( 0.633 -6.544 4.306) 7.859 30.964 ( 2.010 -6.032 3.587) 7.300 31.133 ( 1.461 -10.577 2.526) 10.973 31.410 ( 1.321 1.321 -0.500) 1.934 31.523 ( -1.514 -1.068 -1.051) 2.131 31.666 ( -1.327 7.237 0.893) 7.412 31.806 ( 9.364 3.541 2.612) 10.346 32.826 ( -0.282 1.398 -12.128) 12.211 33.206 ( 0.936 5.704 -12.011) 13.329 33.312 ( -3.015 -4.219 2.300) 5.673 33.381 ( 0.304 0.177 -4.753) 4.766 33.800 ( 3.001 9.806 0.160) 10.256 35.414 ( -1.611 -1.307 2.676) 3.386 35.527 ( -0.305 -1.129 0.598) 1.313 35.652 ( -5.425 -1.833 6.919) 8.981 36.048 ( 2.275 -0.893 -4.276) 4.925 36.293 ( -0.637 -0.795 0.521) 1.145 36.453 ( -6.110 0.994 9.278) 11.154 37.210 ( 5.127 -14.863 7.742) 17.526 38.336 ( -1.775 16.807 -7.877) 18.646 ======================= Grid point 100 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.068 ( 2.799 -8.076 0.578) 8.567 2.145 ( 4.691 8.349 7.716) 12.298 2.299 ( -5.893 3.648 -3.134) 7.607 2.466 ( 4.734 -2.026 -2.767) 5.846 2.697 ( 0.364 -7.652 3.323) 8.350 2.878 ( 4.320 -16.868 -1.356) 17.465 3.155 ( -3.195 16.576 1.895) 16.987 3.303 ( 0.166 3.822 -5.174) 6.435 3.420 ( 4.108 6.184 1.543) 7.582 3.501 ( 0.718 -5.754 -2.372) 6.265 3.591 ( -0.488 7.223 -6.895) 9.997 3.718 ( -0.312 1.818 -4.069) 4.467 3.796 ( -2.555 -0.461 -3.621) 4.456 3.915 ( 1.028 9.552 7.717) 12.323 4.124 ( -0.341 -2.175 3.154) 3.846 4.349 ( -3.394 -4.846 -2.578) 6.454 4.460 ( -3.784 0.048 3.510) 5.162 4.769 ( 0.426 -0.086 -3.429) 3.457 4.902 ( 6.095 -4.760 -1.442) 7.867 5.009 ( 5.653 3.270 1.945) 6.814 5.305 ( 3.535 0.889 3.377) 4.969 5.350 ( -7.653 -5.093 -5.000) 10.464 5.522 ( -1.657 -1.732 -0.801) 2.527 5.615 ( 5.708 -3.943 3.805) 7.912 5.834 ( -2.117 1.817 1.528) 3.181 5.978 ( -3.036 1.305 -2.032) 3.879 6.062 ( -0.494 -0.791 3.769) 3.882 6.302 ( -3.186 2.300 4.637) 6.078 6.476 ( -3.873 -1.943 -7.102) 8.319 6.636 ( 1.425 3.346 -0.856) 3.736 7.817 ( 1.007 -0.446 0.426) 1.181 8.008 ( 2.415 -0.403 0.621) 2.526 8.165 ( 1.768 -1.143 3.032) 3.692 8.411 ( -2.157 -1.744 -2.198) 3.539 8.983 ( 0.376 0.951 -1.106) 1.506 9.070 ( 1.397 -5.284 -0.185) 5.469 9.151 ( -1.398 3.044 0.988) 3.492 9.425 ( 1.791 -0.027 -0.494) 1.858 9.503 ( 3.168 3.380 -1.821) 4.978 9.624 ( 1.624 -3.128 -0.757) 3.604 9.757 ( -3.205 4.558 -1.016) 5.664 9.902 ( -10.629 -2.514 -0.096) 10.923 10.225 ( 7.551 7.992 3.193) 11.450 10.339 ( 0.994 2.502 -0.556) 2.749 10.386 ( -4.535 -4.710 -0.570) 6.564 10.607 ( 2.059 -0.037 -0.616) 2.150 10.884 ( -1.070 -0.197 2.780) 2.985 11.294 ( -1.512 -4.791 -0.489) 5.048 11.343 ( -1.400 0.509 2.216) 2.670 11.432 ( 3.697 3.051 -1.274) 4.960 11.707 ( -2.648 3.919 0.551) 4.762 11.905 ( 2.683 5.524 -3.381) 7.011 12.234 ( 1.144 -1.804 1.462) 2.589 12.326 ( 3.895 0.770 4.750) 6.191 12.394 ( -2.201 -6.813 -3.166) 7.828 12.552 ( 0.715 -8.113 -4.225) 9.175 12.618 ( -1.798 0.108 -0.035) 1.801 12.682 ( -2.835 9.320 -0.245) 9.745 13.194 ( -0.949 -0.693 2.329) 2.608 13.515 ( 0.109 -0.819 -1.915) 2.085 13.782 ( 1.063 3.651 0.855) 3.898 13.922 ( 5.521 2.056 1.680) 6.126 14.286 ( -0.961 -0.638 3.440) 3.628 14.667 ( 0.337 -4.209 -2.328) 4.822 15.120 ( -4.269 0.407 2.557) 4.993 15.370 ( -0.580 -1.643 -1.098) 2.059 15.407 ( 3.852 2.992 1.520) 5.109 15.521 ( -3.304 0.897 -2.476) 4.225 16.098 ( 0.976 -3.202 2.656) 4.273 16.216 ( -2.260 0.760 1.022) 2.594 16.436 ( 3.695 4.130 1.519) 5.746 16.767 ( -0.387 -4.272 -6.754) 8.001 17.177 ( 1.020 -2.193 0.372) 2.447 17.287 ( -2.119 3.690 -2.464) 4.917 17.401 ( 3.927 -3.759 3.119) 6.267 17.537 ( -3.706 0.843 0.210) 3.807 20.171 ( 1.031 -8.971 -2.414) 9.347 20.235 ( 0.410 7.688 0.415) 7.710 20.511 ( 2.579 -7.929 -0.860) 8.382 20.614 ( -0.684 5.828 -1.893) 6.165 22.592 ( -1.374 9.739 2.667) 10.191 22.683 ( -2.593 -9.035 2.495) 9.725 23.016 ( 1.703 4.328 -1.929) 5.035 23.065 ( 0.711 -2.661 -1.844) 3.315 28.068 ( -2.220 3.638 1.292) 4.454 28.186 ( 0.482 -1.745 1.838) 2.580 28.320 ( 8.523 -13.927 2.982) 16.597 28.681 ( -6.888 9.591 -11.573) 16.534 31.017 ( -1.683 1.332 2.402) 3.221 31.039 ( -0.612 -4.399 3.304) 5.536 31.246 ( 0.193 0.519 -0.416) 0.693 31.374 ( -0.095 -0.585 -0.486) 0.767 31.525 ( 1.535 -0.529 0.592) 1.729 31.568 ( -4.261 0.951 2.023) 4.812 31.918 ( 11.540 -0.289 -1.318) 11.618 32.620 ( 4.633 6.370 -15.361) 17.262 33.143 ( -0.548 -0.983 0.737) 1.345 33.328 ( -0.413 1.258 3.209) 3.471 33.456 ( 0.186 -4.623 -2.741) 5.378 33.679 ( 1.233 3.527 -1.132) 3.904 35.430 ( -1.931 -0.262 3.020) 3.594 35.539 ( -0.337 0.181 0.721) 0.816 35.672 ( -4.523 -0.418 6.382) 7.834 36.064 ( 2.195 -1.405 -3.793) 4.602 36.310 ( -2.185 -1.707 0.956) 2.932 36.430 ( -7.147 1.593 10.644) 12.919 37.491 ( 3.363 -5.204 -0.100) 6.197 38.052 ( 1.741 5.613 -6.174) 8.524 ======================= Grid point 105 (48/114) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -9.335 -0.000 0.370) 9.342 2.054 ( -20.960 -0.000 -4.643) 21.468 2.153 ( 7.368 0.000 1.816) 7.589 2.551 ( 5.888 0.000 -2.102) 6.252 2.733 ( 10.827 0.000 -11.634) 15.892 2.802 ( 6.950 0.000 -8.169) 10.726 2.996 ( -0.122 -0.000 -2.367) 2.370 2.998 ( -5.772 -0.000 -1.618) 5.995 3.023 ( -13.191 -0.000 -9.929) 16.510 3.289 ( 6.898 0.000 1.299) 7.020 3.570 ( 10.662 0.000 0.627) 10.681 3.671 ( 0.094 0.000 -2.700) 2.702 3.820 ( -4.903 -0.000 0.079) 4.904 3.839 ( 11.957 0.000 0.186) 11.959 3.985 ( 2.569 0.000 10.021) 10.345 4.301 ( -6.606 -0.000 11.748) 13.478 4.305 ( -4.054 -0.000 3.709) 5.495 4.796 ( -4.338 -0.000 -1.383) 4.553 4.929 ( -1.540 -0.000 6.610) 6.787 5.037 ( -1.217 -0.000 -3.080) 3.312 5.101 ( 2.053 0.000 -2.225) 3.027 5.446 ( -1.103 -0.000 -5.414) 5.526 5.587 ( 5.102 0.000 -1.776) 5.402 5.851 ( -4.923 -0.000 -2.355) 5.457 5.948 ( -2.972 -0.000 3.548) 4.628 6.097 ( 7.677 0.000 -1.520) 7.826 6.213 ( -4.812 -0.000 4.595) 6.654 6.308 ( 3.830 0.000 1.206) 4.016 6.665 ( -2.198 -0.000 1.516) 2.669 6.665 ( -0.364 -0.000 2.807) 2.830 7.877 ( -4.989 -0.000 -4.346) 6.616 8.157 ( -6.380 -0.000 -3.136) 7.109 8.236 ( 6.246 0.000 2.464) 6.715 8.407 ( 0.215 0.000 -4.959) 4.964 8.854 ( 10.048 0.000 13.101) 16.510 8.966 ( 0.575 0.000 4.143) 4.183 9.307 ( -0.792 -0.000 -0.913) 1.208 9.416 ( -3.462 -0.000 -3.939) 5.244 9.573 ( 3.476 0.000 3.517) 4.945 9.578 ( -2.037 -0.000 -6.142) 6.471 9.859 ( 2.349 0.000 3.210) 3.978 10.009 ( -6.334 -0.000 -7.955) 10.168 10.206 ( -6.053 -0.000 -9.816) 11.533 10.355 ( 2.260 0.000 -0.124) 2.264 10.733 ( -4.269 -0.000 -1.342) 4.475 11.014 ( -6.408 -0.000 5.843) 8.672 11.130 ( 4.777 0.000 -2.067) 5.205 11.171 ( -2.103 -0.000 -3.831) 4.370 11.399 ( -1.118 -0.000 -0.055) 1.119 11.712 ( 4.625 0.000 -0.379) 4.641 11.786 ( -7.944 -0.000 -0.163) 7.946 11.887 ( -6.265 -0.000 -3.477) 7.165 12.226 ( 6.124 0.000 8.267) 10.288 12.371 ( 4.653 0.000 4.538) 6.499 12.474 ( 12.720 0.000 7.354) 14.693 12.690 ( -2.889 -0.000 -7.107) 7.672 12.860 ( 10.666 0.000 -0.043) 10.666 12.908 ( -0.243 -0.000 -5.247) 5.253 13.248 ( -5.728 -0.000 0.677) 5.767 13.442 ( 3.055 0.000 5.149) 5.987 13.575 ( -6.315 -0.000 -5.234) 8.202 13.701 ( -1.938 -0.000 -1.043) 2.201 14.434 ( 9.716 0.000 9.956) 13.911 14.435 ( 1.373 0.000 -0.322) 1.410 14.517 ( 6.395 0.000 1.545) 6.579 14.838 ( -1.122 -0.000 7.460) 7.544 15.020 ( 0.085 0.000 -0.443) 0.452 15.243 ( 0.978 0.000 -0.727) 1.219 15.846 ( -2.578 -0.000 -9.726) 10.062 16.484 ( -1.986 -0.000 -6.785) 7.070 16.645 ( 2.160 0.000 5.978) 6.356 16.722 ( 1.419 0.000 4.954) 5.153 16.900 ( -0.126 -0.000 0.187) 0.225 16.980 ( 1.317 0.000 0.871) 1.579 17.255 ( 0.666 0.000 0.759) 1.010 17.560 ( -3.394 -0.000 -0.873) 3.504 19.908 ( 3.112 0.000 -4.752) 5.680 20.078 ( -5.063 -0.000 -5.714) 7.634 20.928 ( -1.435 -0.000 -0.247) 1.457 20.972 ( -0.290 -0.000 -0.320) 0.431 21.991 ( -0.405 -0.000 4.330) 4.349 22.416 ( 0.657 0.000 -1.927) 2.036 23.271 ( -1.539 -0.000 2.233) 2.713 23.523 ( 0.995 0.000 -1.845) 2.096 26.964 ( -0.050 -0.000 0.103) 0.115 26.972 ( 0.026 0.000 0.010) 0.028 29.407 ( 1.296 0.000 0.048) 1.297 29.655 ( -2.174 -0.000 -3.600) 4.206 30.359 ( 4.673 0.000 5.261) 7.037 30.700 ( -0.064 -0.000 3.534) 3.534 30.725 ( 2.400 0.000 3.004) 3.844 31.293 ( 2.687 0.000 -0.749) 2.789 31.412 ( -1.129 -0.000 0.667) 1.311 32.062 ( 0.469 0.000 -1.226) 1.313 32.215 ( -1.629 -0.000 -2.936) 3.358 32.523 ( 0.248 0.000 -0.891) 0.925 32.829 ( 1.508 0.000 -0.776) 1.695 33.472 ( -2.292 -0.000 5.632) 6.080 33.907 ( 10.558 0.000 -21.390) 23.853 34.300 ( 16.529 0.000 -33.233) 37.116 35.328 ( -0.358 -0.000 1.830) 1.865 35.521 ( 0.102 0.000 -1.252) 1.257 35.586 ( -6.946 -0.000 6.480) 9.500 36.004 ( 3.157 0.000 -2.425) 3.981 36.195 ( -3.736 -0.000 2.401) 4.441 36.290 ( 1.182 0.000 -0.506) 1.285 36.796 ( -12.774 -0.000 37.653) 39.761 39.024 ( -3.559 -0.000 -4.708) 5.902 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -19.882 5.560 -2.414) 20.786 1.776 ( -14.244 -1.301 -4.988) 15.148 2.316 ( 10.470 -4.541 -3.189) 11.850 2.519 ( -4.047 1.492 -1.265) 4.495 2.677 ( 6.794 -1.925 -17.198) 18.592 2.771 ( -18.221 0.113 -11.060) 21.315 2.894 ( 3.082 -7.074 1.035) 7.786 3.146 ( 1.608 -3.496 -3.583) 5.258 3.217 ( 4.464 -18.384 -3.380) 19.217 3.339 ( 6.052 -3.004 4.885) 8.337 3.623 ( 1.780 1.018 -2.685) 3.379 3.668 ( 8.098 0.369 1.652) 8.273 3.849 ( 2.133 -2.796 -0.979) 3.650 3.875 ( 4.358 3.038 1.791) 5.606 4.044 ( 0.552 1.378 10.353) 10.459 4.306 ( -8.532 -0.321 8.573) 12.099 4.357 ( -0.220 -4.892 4.067) 6.366 4.748 ( -0.042 1.832 -3.674) 4.106 4.901 ( 1.000 6.508 0.530) 6.606 4.992 ( -0.120 -2.257 4.676) 5.194 5.200 ( 2.430 -5.806 0.019) 6.294 5.370 ( -1.595 3.023 -4.553) 5.693 5.675 ( -1.652 -3.825 -2.593) 4.908 5.755 ( -1.001 1.740 -2.615) 3.296 5.931 ( -6.505 1.155 0.859) 6.662 6.096 ( 2.404 8.579 1.403) 9.019 6.184 ( -2.974 -2.713 1.477) 4.288 6.338 ( 6.367 1.752 4.372) 7.920 6.581 ( -1.796 7.452 2.442) 8.045 6.688 ( -2.467 -1.314 1.397) 3.125 7.809 ( -2.996 0.895 -2.067) 3.748 8.071 ( -5.999 1.000 -3.253) 6.897 8.279 ( 6.664 3.135 -1.100) 7.446 8.371 ( 1.575 1.383 -3.685) 4.239 8.905 ( 3.628 3.404 7.173) 8.729 9.104 ( 6.445 -0.871 6.014) 8.858 9.246 ( 0.140 1.874 4.836) 5.188 9.380 ( -2.709 -0.918 -3.321) 4.383 9.513 ( -2.770 -0.711 -7.800) 8.308 9.612 ( -1.284 0.801 1.614) 2.212 9.892 ( -3.973 -1.330 -3.102) 5.213 9.961 ( 0.555 -4.271 1.215) 4.475 10.128 ( -3.429 -1.004 -9.455) 10.108 10.387 ( -0.074 -1.658 -2.212) 2.765 10.624 ( -5.229 5.716 -1.503) 7.891 10.962 ( -4.567 3.781 4.699) 7.565 11.064 ( -2.581 6.090 -4.957) 8.266 11.177 ( 3.229 -1.584 0.516) 3.633 11.387 ( -2.982 -0.066 -2.742) 4.052 11.676 ( -2.451 2.846 -4.827) 6.116 11.778 ( 1.127 -0.622 3.241) 3.487 11.874 ( -3.709 -6.001 -2.439) 7.464 12.238 ( 1.520 8.985 1.378) 9.216 12.434 ( 7.330 3.510 5.301) 9.703 12.489 ( 0.549 8.657 2.334) 8.983 12.583 ( -0.285 3.011 -0.772) 3.122 12.825 ( 5.345 5.038 1.238) 7.448 12.878 ( 6.981 4.323 0.411) 8.221 13.209 ( -3.082 -0.193 0.094) 3.089 13.455 ( 1.694 -2.135 5.580) 6.210 13.625 ( -0.738 4.102 -1.496) 4.428 13.698 ( -5.805 -11.266 -2.927) 13.008 14.432 ( 5.927 1.119 2.915) 6.699 14.584 ( 3.439 -8.539 -1.921) 9.404 14.829 ( 1.961 1.221 6.948) 7.322 14.893 ( 0.548 -18.564 4.188) 19.039 15.164 ( 6.899 -10.348 7.893) 14.730 15.252 ( 1.094 -3.345 -0.129) 3.522 15.855 ( -1.771 -7.634 -9.826) 12.568 16.384 ( -2.594 4.261 -7.026) 8.617 16.620 ( 1.315 5.687 3.203) 6.658 16.655 ( 2.126 8.120 5.709) 10.152 16.960 ( 1.031 -4.773 0.501) 4.909 17.055 ( 1.663 -4.525 1.166) 4.960 17.333 ( 0.802 -5.576 1.016) 5.724 17.525 ( -4.519 -0.719 -1.659) 4.867 19.959 ( 5.381 -4.947 -4.981) 8.845 19.989 ( -4.746 0.630 -7.339) 8.763 20.817 ( -1.868 8.245 0.697) 8.483 20.968 ( 0.560 2.348 -1.284) 2.734 22.081 ( -0.815 -7.341 5.606) 9.273 22.471 ( 0.195 -6.576 -2.255) 6.954 23.182 ( -2.855 8.534 2.328) 9.295 23.491 ( 1.219 3.540 -1.954) 4.223 27.072 ( -0.997 -11.761 0.254) 11.806 27.126 ( 3.026 -15.718 0.905) 16.033 29.254 ( 2.239 16.143 1.424) 16.359 29.541 ( -5.159 7.597 -5.840) 10.883 30.578 ( 4.899 -13.426 7.750) 16.258 30.740 ( 1.300 -1.771 3.789) 4.380 30.803 ( 3.828 -3.726 3.427) 6.347 31.344 ( 4.041 -2.348 -0.018) 4.674 31.438 ( 0.565 -2.600 0.920) 2.815 31.972 ( -0.021 8.062 -0.397) 8.071 32.094 ( -1.472 8.367 -3.640) 9.243 32.597 ( -1.524 -8.078 -1.597) 8.374 32.918 ( -0.559 -8.729 -1.554) 8.883 33.472 ( -0.502 2.216 5.570) 6.016 33.747 ( 11.946 10.683 -39.156) 42.308 34.147 ( 6.857 8.639 -15.611) 19.114 35.351 ( -0.652 -1.536 2.079) 2.666 35.502 ( -0.515 0.663 0.052) 0.841 35.582 ( -5.905 -1.303 6.154) 8.628 36.025 ( 2.243 -0.581 -3.223) 3.970 36.272 ( -0.541 -5.717 0.032) 5.742 36.316 ( 4.435 -3.092 -0.567) 5.436 36.922 ( -10.530 -0.334 39.828) 41.198 38.863 ( -5.548 9.432 -7.725) 13.395 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.545 ( -7.938 -10.596 -2.217) 13.424 1.771 ( -12.798 -11.815 -5.641) 18.308 2.314 ( 6.247 -0.280 -15.400) 16.622 2.446 ( -2.771 1.984 -3.247) 4.707 2.581 ( -15.245 -1.006 -6.137) 16.464 2.839 ( -0.699 -7.528 -2.599) 7.994 3.049 ( 2.302 -3.702 -1.348) 4.563 3.182 ( -3.900 -13.054 -0.747) 13.644 3.428 ( 5.277 -3.136 -0.016) 6.138 3.535 ( 1.007 -4.727 3.311) 5.858 3.630 ( 1.651 -2.038 -4.799) 5.469 3.714 ( 7.343 0.142 -1.904) 7.587 3.865 ( -0.098 1.419 2.038) 2.485 3.921 ( 1.922 -4.387 0.951) 4.883 4.075 ( -1.116 1.121 9.119) 9.255 4.268 ( -4.417 2.181 3.630) 6.119 4.459 ( -0.725 -3.133 1.098) 3.398 4.734 ( 4.445 -0.999 -0.769) 4.621 4.839 ( 2.694 2.807 2.818) 4.804 5.096 ( 1.848 -5.909 1.611) 6.398 5.277 ( 3.613 2.060 -1.202) 4.329 5.312 ( 3.995 1.191 1.826) 4.551 5.556 ( -6.920 3.586 -3.363) 8.488 5.810 ( -0.999 -0.835 -1.499) 1.985 5.873 ( -0.353 -1.144 -0.808) 1.445 5.910 ( -0.104 12.810 3.900) 13.391 6.181 ( -8.298 -0.237 -5.885) 10.176 6.388 ( 5.568 0.576 3.273) 6.484 6.456 ( -0.407 6.726 7.226) 9.880 6.690 ( -2.144 -0.285 1.185) 2.466 7.795 ( 1.167 -0.354 0.645) 1.379 7.994 ( -4.572 0.279 -3.838) 5.976 8.214 ( -0.389 3.297 -5.527) 6.448 8.379 ( 7.014 1.182 2.104) 7.417 8.907 ( -1.262 0.599 1.979) 2.423 9.092 ( 4.948 3.863 0.606) 6.307 9.251 ( -5.065 0.581 -1.389) 5.284 9.400 ( 1.009 -2.402 -0.103) 2.607 9.517 ( 3.669 0.337 3.114) 4.824 9.596 ( -0.113 -0.641 -0.659) 0.926 9.831 ( -8.264 -1.147 -5.231) 9.847 10.046 ( -3.874 0.722 -8.759) 9.604 10.127 ( 3.083 -4.385 7.780) 9.448 10.341 ( -3.970 2.358 -0.398) 4.634 10.487 ( -1.603 5.042 -0.133) 5.292 10.829 ( -2.784 8.481 -4.093) 9.820 10.953 ( -1.468 2.494 3.429) 4.487 11.212 ( 0.741 0.429 -3.687) 3.785 11.321 ( -3.618 -0.194 -2.409) 4.351 11.585 ( 1.322 4.113 -4.551) 6.275 11.846 ( -1.642 -5.579 5.296) 7.866 11.914 ( -7.315 4.266 -3.881) 9.315 12.084 ( -0.054 -3.763 0.813) 3.850 12.343 ( 4.363 6.343 1.854) 7.919 12.435 ( 0.346 7.756 -2.780) 8.247 12.527 ( 6.883 4.887 5.406) 10.024 12.805 ( 0.583 3.779 4.338) 5.783 12.838 ( 1.252 2.664 -1.654) 3.376 13.211 ( -2.128 -0.854 -1.059) 2.526 13.485 ( 1.401 1.990 -0.409) 2.467 13.697 ( 7.166 -6.990 9.022) 13.476 13.785 ( -8.777 -6.688 -2.560) 11.328 14.502 ( 6.430 -2.290 0.855) 6.879 14.544 ( -2.935 8.172 -6.099) 10.611 14.944 ( -1.944 -8.583 5.280) 10.263 15.150 ( 0.779 -7.164 1.026) 7.279 15.351 ( 1.115 -8.217 3.804) 9.123 15.551 ( 8.561 -11.323 7.597) 16.100 15.912 ( -0.647 -3.585 -6.592) 7.532 16.236 ( -5.597 2.609 -5.440) 8.230 16.517 ( -0.082 6.182 2.565) 6.693 16.691 ( 10.830 -1.562 4.688) 11.904 17.033 ( -0.721 -3.692 -0.770) 3.840 17.183 ( 4.177 -6.670 1.052) 7.940 17.394 ( -1.162 -0.245 -0.777) 1.419 17.516 ( -3.464 -2.448 -0.724) 4.303 19.937 ( -2.276 -2.971 -6.024) 7.092 20.102 ( 7.001 -8.503 -5.691) 12.397 20.644 ( -2.284 9.806 2.042) 10.273 20.880 ( 0.772 6.702 -1.711) 6.960 22.280 ( -1.765 -11.203 5.913) 12.790 22.608 ( 0.711 -9.335 -2.346) 9.652 23.005 ( -3.311 8.883 3.373) 10.062 23.391 ( 1.499 7.429 -2.119) 7.870 27.339 ( -2.611 -18.900 -0.088) 19.080 27.566 ( 11.950 -23.915 4.243) 27.069 28.947 ( 2.624 20.965 2.886) 21.324 29.241 ( -7.737 15.170 -9.072) 19.295 30.825 ( 1.580 -4.047 3.724) 5.722 30.877 ( 2.384 -9.189 6.349) 11.420 30.970 ( 3.596 -10.270 3.845) 11.540 31.405 ( 0.711 -2.312 -0.866) 2.569 31.505 ( 3.399 -0.737 1.215) 3.684 31.815 ( -0.651 9.307 -0.294) 9.335 31.931 ( 1.670 5.057 -1.042) 5.426 32.705 ( -2.649 -6.248 -7.035) 9.775 33.079 ( -0.696 -10.649 -3.089) 11.110 33.313 ( 0.323 13.720 -35.993) 38.521 33.450 ( 0.515 3.653 4.333) 5.691 33.986 ( 3.043 8.613 -2.645) 9.510 35.386 ( -1.449 -1.798 2.296) 3.257 35.504 ( -0.355 -1.102 0.082) 1.161 35.609 ( -4.964 -2.369 6.405) 8.443 36.029 ( 2.179 -0.435 -3.806) 4.407 36.302 ( 1.799 0.533 0.977) 2.115 36.443 ( -0.715 -3.978 3.403) 5.284 37.120 ( -0.976 -6.315 26.591) 27.348 38.550 ( -4.972 14.658 -9.637) 18.233 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -10.521 -17.199 -4.685) 20.699 1.963 ( -2.453 -18.746 -7.665) 20.400 2.338 ( -4.440 -3.834 -3.229) 6.696 2.384 ( 0.361 -3.383 -7.580) 8.309 2.599 ( 1.297 -11.269 -2.279) 11.570 2.764 ( 0.620 7.525 3.716) 8.415 3.216 ( -0.035 -10.165 -5.663) 11.636 3.337 ( -1.647 -3.550 -0.906) 4.017 3.475 ( -3.359 9.036 5.363) 11.032 3.494 ( -4.836 -5.011 -4.334) 8.203 3.599 ( 1.590 4.986 -3.902) 6.528 3.765 ( 2.142 -0.320 -2.423) 3.250 3.828 ( 5.551 5.144 0.633) 7.595 4.024 ( -0.619 -2.049 3.145) 3.804 4.071 ( -7.486 -1.685 10.092) 12.678 4.269 ( 4.296 -1.707 -0.800) 4.692 4.462 ( -0.642 1.508 2.374) 2.885 4.804 ( 4.106 3.021 -1.155) 5.227 4.841 ( 2.336 -4.745 -0.262) 5.296 5.193 ( -0.334 -1.177 -0.021) 1.223 5.239 ( 4.849 6.062 0.907) 7.816 5.369 ( 8.946 -0.212 3.356) 9.558 5.520 ( 2.060 -2.185 1.368) 3.300 5.651 ( -0.592 8.267 -2.389) 8.625 5.857 ( -6.812 -1.660 -2.120) 7.325 5.885 ( -0.274 -0.117 4.369) 4.379 6.051 ( -7.991 0.299 -5.540) 9.728 6.373 ( -0.913 4.603 2.485) 5.310 6.452 ( 4.240 0.379 3.581) 5.563 6.684 ( 0.623 1.267 1.619) 2.148 7.805 ( -1.530 -0.253 -1.030) 1.862 7.952 ( -3.977 -0.916 -7.689) 8.705 8.171 ( 0.786 -1.355 2.418) 2.881 8.438 ( 6.441 0.003 3.305) 7.239 8.905 ( -1.905 -1.993 -1.684) 3.230 9.091 ( 4.908 1.003 -0.194) 5.013 9.181 ( -3.554 1.815 -0.406) 4.011 9.433 ( 1.379 -0.060 -1.547) 2.073 9.562 ( 1.831 0.132 1.231) 2.210 9.599 ( 3.726 0.017 0.322) 3.740 9.755 ( -10.087 -1.899 -2.980) 10.688 9.894 ( -0.803 9.508 -1.308) 9.631 10.203 ( -9.253 -6.810 0.725) 11.512 10.361 ( -0.586 -0.646 0.110) 0.879 10.421 ( 4.664 3.963 3.002) 6.817 10.653 ( -0.471 5.341 -2.491) 5.912 10.923 ( -0.171 3.051 3.055) 4.321 11.191 ( -0.792 -3.678 -2.723) 4.645 11.334 ( -0.094 -1.060 0.981) 1.447 11.507 ( 1.765 3.441 -1.623) 4.194 11.721 ( -9.570 4.427 -3.080) 10.985 11.962 ( -0.561 -3.143 3.840) 4.994 12.205 ( 1.929 -2.356 -2.121) 3.711 12.317 ( -0.074 2.925 -0.575) 2.982 12.365 ( 4.897 -6.695 1.001) 8.355 12.494 ( 5.300 4.544 0.287) 6.988 12.714 ( 0.145 8.751 2.142) 9.011 12.781 ( -1.422 4.153 0.835) 4.468 13.185 ( -2.328 0.008 0.438) 2.369 13.498 ( 2.657 -0.891 -1.271) 3.077 13.783 ( -6.101 -2.566 -0.856) 6.674 13.929 ( 2.782 -6.141 4.993) 8.389 14.316 ( -5.505 7.447 -4.572) 10.328 14.602 ( 4.736 -3.524 -1.692) 6.141 15.069 ( -2.575 -4.854 3.325) 6.422 15.280 ( 3.123 -5.407 2.732) 6.815 15.450 ( -2.408 -1.812 -0.793) 3.116 15.648 ( 4.135 8.867 2.636) 10.133 15.992 ( 1.086 -8.782 3.073) 9.367 16.184 ( -5.439 -3.454 -5.910) 8.743 16.434 ( -2.760 2.823 -0.724) 4.014 16.824 ( 12.574 2.022 3.420) 13.187 17.110 ( 0.800 -5.405 0.828) 5.526 17.316 ( 2.300 0.155 -5.932) 6.364 17.373 ( 0.616 -3.014 5.539) 6.336 17.509 ( -4.225 -0.257 -1.257) 4.416 20.003 ( 0.062 -8.026 -2.990) 8.565 20.273 ( 6.721 -6.065 -6.981) 11.432 20.484 ( -1.816 5.826 4.324) 7.479 20.736 ( -0.032 8.352 -2.055) 8.601 22.480 ( -4.195 -10.231 4.085) 11.788 22.742 ( 2.406 -1.230 0.186) 2.709 22.906 ( -1.392 -1.150 2.204) 2.850 23.230 ( 1.493 10.319 -2.382) 10.695 27.684 ( -3.328 -22.117 -0.756) 22.379 28.138 ( 18.203 -20.988 7.187) 28.697 28.592 ( 2.163 22.885 3.904) 23.316 28.814 ( -8.477 17.606 -11.013) 22.430 30.942 ( -0.068 -5.685 2.846) 6.358 31.033 ( 1.109 -3.462 3.680) 5.173 31.164 ( -0.340 -7.033 1.487) 7.197 31.424 ( -0.370 1.488 -0.144) 1.540 31.501 ( 0.007 0.984 -0.213) 1.006 31.636 ( -1.439 7.121 -0.012) 7.265 31.959 ( 4.775 -1.163 -2.793) 5.653 32.614 ( -0.259 2.217 -20.213) 20.336 33.066 ( -3.230 -3.091 -6.591) 7.964 33.270 ( -0.598 -11.361 -2.311) 11.609 33.405 ( 0.422 4.293 3.943) 5.844 33.835 ( 1.996 9.574 -0.910) 9.822 35.415 ( -2.124 -1.347 2.518) 3.559 35.527 ( -0.189 -1.337 0.004) 1.351 35.651 ( -4.693 -1.996 6.820) 8.516 36.037 ( 2.576 -0.957 -4.066) 4.908 36.307 ( 1.246 0.964 1.471) 2.156 36.468 ( -6.142 1.349 9.683) 11.546 37.399 ( 5.613 -9.581 9.365) 14.526 38.195 ( -2.881 14.014 -9.341) 17.086 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -24.057 -0.000 -2.305) 24.167 1.532 ( -30.915 -0.000 -10.015) 32.497 2.337 ( 3.613 0.000 3.165) 4.803 2.472 ( -26.794 -0.000 -13.190) 29.864 2.500 ( 3.972 0.000 -19.362) 19.766 2.841 ( 0.989 0.000 2.719) 2.893 2.844 ( 10.939 0.000 -7.958) 13.528 2.967 ( -0.453 -0.000 -2.096) 2.144 3.044 ( 12.480 0.000 -0.517) 12.491 3.431 ( 6.523 0.000 0.128) 6.524 3.642 ( -0.108 -0.000 -0.154) 0.188 3.687 ( -0.674 -0.000 1.409) 1.562 3.905 ( -6.905 -0.000 1.845) 7.148 3.931 ( 16.920 0.000 0.749) 16.937 4.083 ( -5.604 -0.000 7.169) 9.100 4.321 ( 1.484 0.000 2.058) 2.537 4.350 ( 1.973 0.000 11.526) 11.694 4.753 ( 2.948 0.000 -2.884) 4.124 5.014 ( 2.998 0.000 6.228) 6.912 5.057 ( 3.905 0.000 1.836) 4.315 5.083 ( -1.729 -0.000 -0.815) 1.911 5.307 ( -7.632 -0.000 -4.008) 8.620 5.673 ( 2.502 0.000 -1.135) 2.747 5.678 ( -8.065 -0.000 -5.271) 9.634 5.934 ( -0.474 -0.000 4.445) 4.470 6.156 ( 1.369 0.000 -2.400) 2.763 6.211 ( -3.888 -0.000 7.122) 8.114 6.410 ( 5.008 0.000 1.674) 5.280 6.625 ( -4.104 -0.000 2.555) 4.834 6.678 ( -1.761 -0.000 2.038) 2.693 7.795 ( -0.270 -0.000 1.032) 1.067 7.988 ( -6.224 -0.000 -7.269) 9.570 8.334 ( -1.921 -0.000 -5.065) 5.417 8.395 ( 8.462 0.000 0.229) 8.465 9.022 ( -0.438 -0.000 4.120) 4.143 9.247 ( 16.263 0.000 13.391) 21.067 9.273 ( -2.729 -0.000 0.653) 2.806 9.315 ( -3.739 -0.000 -4.167) 5.599 9.428 ( -5.970 -0.000 -5.356) 8.021 9.610 ( -1.699 -0.000 0.177) 1.708 9.822 ( -3.546 -0.000 -7.842) 8.606 9.845 ( -8.471 -0.000 -1.178) 8.553 10.124 ( 7.788 0.000 -0.913) 7.841 10.336 ( -2.481 -0.000 -4.769) 5.376 10.603 ( -5.953 -0.000 -3.418) 6.865 11.026 ( -2.844 -0.000 9.732) 10.139 11.082 ( -0.169 -0.000 -6.921) 6.923 11.198 ( 3.871 0.000 1.564) 4.175 11.367 ( -1.987 -0.000 -0.619) 2.081 11.648 ( -3.220 -0.000 -3.850) 5.019 11.761 ( -5.687 -0.000 -2.896) 6.382 11.817 ( 5.115 0.000 1.287) 5.275 12.426 ( 7.031 0.000 7.111) 10.000 12.433 ( -6.661 -0.000 -0.897) 6.721 12.591 ( -1.770 -0.000 3.226) 3.679 12.634 ( 2.222 0.000 -2.803) 3.577 12.922 ( 2.625 0.000 -0.902) 2.775 12.978 ( 9.033 0.000 -7.379) 11.664 13.215 ( -2.808 -0.000 6.324) 6.919 13.460 ( -1.280 -0.000 -0.134) 1.287 13.553 ( 3.869 0.000 4.522) 5.952 13.640 ( -3.097 -0.000 -1.917) 3.642 14.473 ( 3.381 0.000 0.311) 3.395 14.479 ( 2.147 0.000 -1.958) 2.906 14.772 ( 1.295 0.000 7.116) 7.232 15.020 ( 0.441 0.000 0.041) 0.443 15.024 ( 10.125 0.000 13.910) 17.204 15.253 ( 0.658 0.000 -0.218) 0.693 15.736 ( 2.672 0.000 -4.431) 5.174 16.339 ( -1.772 -0.000 -14.127) 14.237 16.726 ( 0.718 0.000 3.519) 3.592 16.784 ( -0.374 -0.000 4.060) 4.077 16.910 ( 0.232 0.000 1.566) 1.583 17.036 ( 3.088 0.000 2.143) 3.759 17.285 ( 0.497 0.000 2.963) 3.005 17.457 ( -6.161 -0.000 -3.677) 7.175 19.907 ( -5.315 -0.000 -8.622) 10.129 19.938 ( 7.387 0.000 -4.439) 8.618 20.899 ( -1.434 -0.000 -0.706) 1.599 20.972 ( 0.359 0.000 0.469) 0.590 22.041 ( -0.961 -0.000 6.717) 6.785 22.392 ( -0.372 -0.000 -2.525) 2.552 23.263 ( -2.184 -0.000 1.427) 2.609 23.519 ( 1.281 0.000 -1.703) 2.131 26.965 ( 0.004 0.000 0.146) 0.146 26.973 ( 0.079 0.000 0.056) 0.097 29.437 ( 0.936 0.000 1.076) 1.426 29.538 ( -5.839 -0.000 -4.786) 7.550 30.533 ( 5.102 0.000 10.572) 11.739 30.766 ( 2.948 0.000 3.728) 4.753 30.819 ( 4.347 0.000 3.060) 5.316 31.378 ( 8.023 0.000 0.723) 8.056 31.423 ( 0.992 0.000 1.817) 2.071 32.054 ( 0.400 0.000 -1.532) 1.583 32.133 ( -3.857 -0.000 -3.664) 5.320 32.480 ( -3.035 -0.000 -3.340) 4.513 32.819 ( -2.066 -0.000 -0.082) 2.067 33.522 ( 0.862 0.000 4.794) 4.871 33.695 ( 16.513 0.000 -60.093) 62.321 34.187 ( 5.564 0.000 -14.321) 15.364 35.344 ( -0.633 -0.000 2.048) 2.144 35.508 ( 0.100 0.000 -1.391) 1.395 35.560 ( -5.038 -0.000 5.735) 7.634 36.035 ( 3.890 0.000 -1.413) 4.138 36.185 ( -0.011 -0.000 0.567) 0.567 36.342 ( 5.132 0.000 0.308) 5.141 37.105 ( -12.053 -0.000 53.883) 55.215 38.844 ( -7.948 -0.000 -9.885) 12.684 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -23.797 -5.597 -1.902) 24.521 1.393 ( -22.764 -10.745 -8.741) 26.647 2.200 ( -32.628 -11.455 -13.353) 37.069 2.367 ( 2.800 1.588 -13.589) 13.965 2.498 ( -1.347 8.201 1.631) 8.469 2.629 ( 6.038 -4.437 -4.406) 8.693 2.855 ( -5.063 -0.617 -2.048) 5.496 3.147 ( 2.619 -4.207 -3.947) 6.335 3.337 ( 9.114 -12.686 2.136) 15.766 3.497 ( 7.468 -5.418 1.639) 9.371 3.623 ( 2.789 1.703 -1.645) 3.659 3.701 ( -2.547 -1.863 0.377) 3.178 3.836 ( -5.001 1.059 0.400) 5.127 4.013 ( 3.562 1.828 4.050) 5.694 4.105 ( 3.122 0.269 2.602) 4.073 4.333 ( 5.360 1.206 -0.779) 5.549 4.448 ( 1.442 -1.219 10.850) 11.013 4.769 ( 5.814 0.835 -2.393) 6.343 4.966 ( 3.662 5.645 3.923) 7.789 5.040 ( 0.936 -1.036 -0.791) 1.605 5.236 ( 1.420 -8.375 3.007) 9.011 5.327 ( -1.297 -4.857 2.046) 5.428 5.515 ( -4.223 5.518 -3.922) 7.979 5.747 ( -5.428 -6.867 -1.568) 8.892 5.911 ( 2.391 6.512 2.359) 7.327 6.088 ( -3.102 5.600 -3.190) 7.153 6.163 ( -3.976 5.267 4.905) 8.223 6.446 ( 2.259 -0.291 -0.415) 2.315 6.596 ( -0.634 4.432 5.420) 7.030 6.674 ( -1.219 -0.937 3.439) 3.767 7.818 ( 2.402 0.585 3.595) 4.363 7.908 ( -4.700 -1.039 -7.936) 9.281 8.254 ( -0.795 4.248 -3.195) 5.375 8.442 ( 4.579 0.206 -2.766) 5.354 8.989 ( -1.055 4.626 4.288) 6.396 9.207 ( -4.325 1.921 -3.655) 5.980 9.230 ( 2.116 4.824 2.333) 5.762 9.303 ( -4.670 -3.599 -6.545) 8.809 9.567 ( 7.736 -3.343 8.205) 11.762 9.583 ( -2.528 -0.041 2.686) 3.689 9.768 ( -0.829 0.282 -3.797) 3.897 9.853 ( -5.257 -6.447 -3.438) 9.001 10.192 ( 6.393 -0.128 1.821) 6.649 10.284 ( -6.555 -0.963 -6.724) 9.439 10.527 ( -4.678 2.294 -0.980) 5.302 10.956 ( 0.276 8.182 -3.225) 8.799 11.039 ( 1.104 3.910 7.609) 8.626 11.234 ( 1.918 1.418 0.089) 2.387 11.310 ( -1.479 2.286 -1.019) 2.907 11.620 ( 1.710 0.868 -5.034) 5.387 11.718 ( -7.141 -3.078 -0.448) 7.789 11.898 ( 4.505 -3.072 0.021) 5.453 12.151 ( -12.521 13.454 0.567) 18.387 12.484 ( -0.123 5.228 2.466) 5.782 12.536 ( -1.066 4.615 -3.549) 5.919 12.647 ( 4.804 -0.221 2.517) 5.428 12.853 ( -0.789 4.713 -1.692) 5.070 12.964 ( 6.718 2.942 -3.805) 8.262 13.193 ( -2.713 2.188 4.885) 6.001 13.514 ( 0.167 -0.478 -0.651) 0.825 13.622 ( -2.894 -2.907 0.049) 4.102 13.659 ( 4.499 -5.870 4.715) 8.771 14.511 ( 3.251 -1.106 0.463) 3.465 14.576 ( -0.074 -0.753 -5.778) 5.828 14.798 ( -7.014 -5.438 3.776) 9.645 15.043 ( 5.648 -5.259 4.501) 8.934 15.289 ( 3.248 -5.813 1.971) 6.944 15.387 ( 4.779 -16.014 3.974) 17.178 15.811 ( 6.167 -2.942 1.082) 6.918 16.252 ( 0.677 0.850 -12.239) 12.287 16.655 ( 0.086 6.552 2.022) 6.858 16.763 ( 4.859 1.119 2.863) 5.749 16.968 ( 0.076 -3.281 0.848) 3.390 17.116 ( 3.669 -4.509 0.546) 5.839 17.354 ( -0.938 -3.068 1.465) 3.527 17.415 ( -5.332 -3.639 -2.516) 6.929 19.837 ( -3.161 -1.705 -7.101) 7.958 20.015 ( 8.414 -4.269 -4.589) 10.492 20.796 ( -1.809 7.894 0.820) 8.140 20.970 ( 0.942 2.810 -0.409) 2.992 22.139 ( -1.558 -6.778 7.940) 10.556 22.442 ( -0.061 -7.107 -2.663) 7.590 23.156 ( -3.253 8.587 2.115) 9.423 23.495 ( 2.071 3.498 -1.601) 4.369 27.061 ( -0.638 -10.429 0.145) 10.449 27.230 ( 9.104 -24.636 2.681) 26.401 29.299 ( -0.067 14.438 1.373) 14.503 29.378 ( -5.798 10.029 -5.365) 12.766 30.738 ( 2.452 -9.770 8.170) 12.970 30.826 ( 3.500 -2.039 4.772) 6.259 30.900 ( 4.070 -3.635 2.013) 5.817 31.390 ( 1.427 1.518 -0.271) 2.101 31.529 ( 7.833 -3.533 3.038) 9.115 31.966 ( -0.347 7.689 -0.426) 7.709 32.005 ( -3.776 6.171 -4.979) 8.782 32.512 ( -3.537 -7.538 -8.369) 11.805 32.880 ( -2.435 -8.258 -0.579) 8.629 33.289 ( 4.370 11.725 -65.679) 66.860 33.538 ( 1.677 2.177 3.867) 4.744 34.112 ( 2.740 5.089 -4.676) 7.434 35.360 ( -1.284 -1.190 2.006) 2.662 35.492 ( -0.241 0.324 -0.669) 0.781 35.571 ( -3.925 -1.581 5.558) 6.985 36.035 ( 2.819 1.194 -2.005) 3.659 36.294 ( 2.467 -6.959 0.497) 7.400 36.390 ( 5.528 -1.092 -0.237) 5.640 37.294 ( -8.095 4.702 53.139) 53.958 38.650 ( -6.945 7.910 -11.142) 15.329 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.327 ( -19.558 -15.432 0.893) 24.928 1.492 ( -11.820 -21.000 -10.871) 26.437 2.190 ( -13.249 -11.492 0.901) 17.562 2.298 ( 0.499 0.085 -10.609) 10.621 2.415 ( 2.551 -4.578 -3.417) 6.256 2.743 ( -4.526 -8.278 -5.013) 10.684 2.975 ( -9.228 -16.964 -1.180) 19.348 3.080 ( -5.034 2.122 -3.779) 6.643 3.491 ( 2.471 1.311 -0.885) 2.934 3.612 ( -0.420 2.414 2.692) 3.640 3.664 ( 9.083 -1.275 -2.834) 9.600 3.735 ( -1.084 -3.062 -0.354) 3.267 3.818 ( -2.436 -1.549 2.027) 3.528 4.016 ( -0.478 0.140 4.949) 4.974 4.108 ( 1.570 1.839 -1.599) 2.899 4.345 ( 8.425 4.038 0.521) 9.357 4.556 ( 5.911 -0.387 10.754) 12.278 4.781 ( 2.465 -0.751 -2.533) 3.614 4.926 ( 5.891 5.371 0.005) 7.972 5.144 ( 2.282 -6.083 1.930) 6.778 5.309 ( 1.997 1.930 0.144) 2.781 5.457 ( 2.559 -1.969 0.707) 3.306 5.467 ( 2.922 -8.392 2.833) 9.327 5.757 ( -2.510 9.911 -2.432) 10.509 5.830 ( -5.344 -6.682 -0.872) 8.601 5.898 ( -4.561 8.481 -3.522) 10.253 6.023 ( -4.395 7.965 3.002) 9.580 6.456 ( 2.762 0.651 -2.139) 3.553 6.526 ( -1.616 4.624 5.020) 7.014 6.724 ( 2.571 -0.274 4.785) 5.439 7.788 ( -4.635 0.892 -4.454) 6.490 7.895 ( 1.368 0.844 0.474) 1.676 8.176 ( 0.036 1.544 -0.249) 1.565 8.447 ( 2.265 -1.555 -4.849) 5.573 8.939 ( 1.425 2.689 5.240) 6.059 9.149 ( -1.890 0.782 -2.239) 3.032 9.169 ( 0.801 3.289 0.497) 3.421 9.359 ( -4.053 -7.492 -4.317) 9.550 9.526 ( -6.043 0.292 1.253) 6.179 9.667 ( 3.676 2.487 1.858) 4.811 9.734 ( 0.626 3.525 0.540) 3.621 9.913 ( -1.490 -5.833 -4.739) 7.662 10.149 ( -3.109 4.937 3.188) 6.648 10.282 ( -4.317 -4.492 -1.653) 6.446 10.464 ( -2.277 0.505 -0.248) 2.346 10.781 ( 1.486 9.355 -1.945) 9.670 11.027 ( 1.851 5.318 5.813) 8.093 11.156 ( 0.264 1.514 -0.630) 1.661 11.337 ( 2.874 -0.804 2.295) 3.765 11.562 ( 1.232 3.046 -3.501) 4.801 11.686 ( -11.516 2.389 -3.261) 12.205 11.879 ( -5.563 -2.324 3.977) 7.222 12.106 ( 2.942 -8.480 -0.480) 8.988 12.367 ( -2.271 4.775 -1.724) 5.562 12.422 ( 1.003 6.125 -1.200) 6.321 12.638 ( 5.173 4.762 -0.349) 7.040 12.789 ( -0.920 2.732 -2.052) 3.538 12.941 ( 5.441 5.667 4.084) 8.854 13.159 ( -3.625 0.501 1.711) 4.040 13.507 ( 2.260 -0.124 -1.349) 2.635 13.628 ( -7.156 -3.956 -2.121) 8.447 13.870 ( 4.291 -7.528 5.529) 10.279 14.371 ( -10.068 9.003 -7.691) 15.542 14.567 ( 2.354 -2.795 -0.744) 3.729 14.941 ( -3.956 -8.605 1.941) 9.667 15.213 ( 4.668 -7.961 2.706) 9.617 15.439 ( 4.977 -2.043 4.296) 6.885 15.664 ( 0.652 -11.043 -2.926) 11.443 15.893 ( 1.176 -3.519 0.272) 3.720 16.126 ( -2.199 7.328 -1.318) 7.763 16.538 ( 0.293 7.763 0.812) 7.811 16.945 ( 16.637 -4.978 2.233) 17.509 17.031 ( 0.984 -3.749 0.826) 3.963 17.251 ( 5.866 -6.567 -4.275) 9.788 17.358 ( -3.496 -1.187 1.186) 3.878 17.448 ( -3.671 -2.124 -1.141) 4.392 19.859 ( -0.376 -5.776 -3.505) 6.767 20.160 ( 8.799 -7.453 -6.353) 13.165 20.632 ( -2.446 9.080 2.592) 9.754 20.875 ( 0.771 7.527 -1.287) 7.675 22.298 ( -5.201 -8.689 5.712) 11.626 22.596 ( 1.072 -10.668 -2.613) 11.035 23.016 ( -0.419 7.124 4.962) 8.692 23.399 ( 2.388 8.064 -1.838) 8.609 27.305 ( -1.451 -17.327 -0.164) 17.389 27.920 ( 26.740 -28.387 7.312) 39.678 28.986 ( -3.727 18.223 -2.126) 18.721 29.046 ( -2.742 19.562 -3.418) 20.047 30.862 ( -0.867 -3.938 -0.267) 4.041 30.980 ( 2.331 -5.708 4.704) 7.755 31.039 ( 0.637 -7.627 2.421) 8.028 31.373 ( -4.698 -1.996 -1.576) 5.343 31.596 ( 4.878 4.513 1.856) 6.900 31.774 ( -1.213 9.546 -3.957) 10.405 31.926 ( -1.687 -0.791 -3.750) 4.187 32.473 ( -2.139 -2.191 -27.660) 27.829 32.913 ( -5.767 -3.248 -16.453) 17.735 33.047 ( -1.434 -11.531 -0.499) 11.631 33.513 ( 1.287 4.207 3.250) 5.469 33.998 ( 2.054 7.653 -2.475) 8.301 35.385 ( -1.923 -1.566 2.164) 3.291 35.497 ( -0.187 -1.334 -0.471) 1.427 35.612 ( -3.695 -2.442 5.911) 7.386 36.031 ( 2.917 0.172 -2.696) 3.975 36.366 ( 3.084 1.504 3.101) 4.625 36.466 ( -1.430 -2.580 3.144) 4.311 37.424 ( -1.622 1.064 29.029) 29.094 38.356 ( -3.988 12.566 -10.824) 17.057 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( -31.032 -0.000 -9.162) 32.356 1.052 ( -31.133 -0.000 0.964) 31.148 1.682 ( -45.115 -0.000 -11.813) 46.636 2.290 ( -4.779 -0.000 -13.687) 14.497 2.449 ( -7.268 -0.000 6.403) 9.686 2.812 ( -4.067 -0.000 -1.050) 4.200 2.916 ( 2.433 0.000 -0.026) 2.433 3.089 ( 23.379 0.000 -5.655) 24.053 3.281 ( 11.362 0.000 1.209) 11.426 3.443 ( 3.551 0.000 -3.898) 5.273 3.653 ( -3.140 -0.000 -1.445) 3.457 3.675 ( -0.101 -0.000 1.253) 1.257 3.825 ( -0.291 -0.000 0.128) 0.318 4.001 ( -7.016 -0.000 7.034) 9.935 4.224 ( 13.701 0.000 -2.038) 13.852 4.345 ( 2.312 0.000 -4.300) 4.882 4.514 ( -2.428 -0.000 12.662) 12.893 4.806 ( 5.866 0.000 -1.375) 6.025 5.036 ( -4.632 -0.000 -6.400) 7.901 5.075 ( -0.283 -0.000 7.355) 7.361 5.128 ( 4.765 0.000 -0.658) 4.810 5.293 ( 3.323 0.000 8.256) 8.899 5.601 ( 4.229 0.000 0.660) 4.280 5.612 ( -5.920 -0.000 -0.410) 5.935 6.016 ( 1.719 0.000 2.743) 3.237 6.080 ( -5.898 -0.000 -1.945) 6.211 6.222 ( -5.859 -0.000 4.909) 7.644 6.421 ( -1.255 -0.000 -3.215) 3.451 6.667 ( -1.744 -0.000 1.685) 2.425 6.678 ( 2.616 0.000 7.275) 7.731 7.790 ( -7.300 -0.000 -9.322) 11.840 7.906 ( 7.268 0.000 7.492) 10.438 8.300 ( 2.953 0.000 -0.166) 2.957 8.439 ( 0.628 0.000 -5.648) 5.682 9.028 ( -2.686 -0.000 2.122) 3.423 9.157 ( -7.113 -0.000 -4.006) 8.164 9.197 ( -4.622 -0.000 -4.925) 6.754 9.272 ( -3.430 -0.000 -0.092) 3.432 9.556 ( -5.671 -0.000 1.515) 5.870 9.680 ( 7.353 0.000 11.226) 13.420 9.756 ( -0.499 -0.000 -0.784) 0.929 9.791 ( 11.073 0.000 -3.033) 11.481 10.180 ( -6.654 -0.000 -8.343) 10.671 10.242 ( 5.199 0.000 0.417) 5.215 10.508 ( -4.991 -0.000 1.762) 5.293 11.034 ( 4.526 0.000 -5.796) 7.354 11.142 ( 1.551 0.000 10.816) 10.927 11.284 ( 3.087 0.000 3.855) 4.938 11.328 ( -2.085 -0.000 -0.854) 2.254 11.600 ( 1.985 0.000 -2.782) 3.417 11.653 ( -3.282 -0.000 -2.302) 4.009 11.915 ( 6.006 0.000 0.837) 6.064 12.236 ( -14.559 -0.000 2.667) 14.801 12.526 ( 1.290 0.000 -0.368) 1.341 12.589 ( -5.434 -0.000 0.209) 5.439 12.590 ( -3.507 -0.000 -4.940) 6.058 12.895 ( 0.340 0.000 -1.213) 1.259 12.982 ( 5.950 0.000 -11.445) 12.899 13.284 ( -0.565 -0.000 8.079) 8.099 13.474 ( -0.966 -0.000 -0.678) 1.181 13.629 ( 3.400 0.000 1.531) 3.729 13.656 ( 4.279 0.000 2.149) 4.788 14.499 ( 3.466 0.000 -2.354) 4.190 14.531 ( 3.271 0.000 0.019) 3.271 14.801 ( -4.030 -0.000 5.121) 6.516 15.028 ( 1.378 0.000 -3.153) 3.441 15.161 ( -1.363 -0.000 -1.173) 1.799 15.244 ( -1.587 -0.000 -1.220) 2.002 15.938 ( 14.670 0.000 11.078) 18.383 16.069 ( -2.843 -0.000 -32.147) 32.273 16.741 ( -1.984 -0.000 0.891) 2.175 16.798 ( -1.471 -0.000 0.891) 1.720 16.941 ( 0.619 0.000 2.378) 2.457 17.096 ( 2.857 0.000 -0.622) 2.924 17.307 ( -6.335 -0.000 -4.567) 7.809 17.331 ( -1.097 -0.000 5.721) 5.826 19.760 ( -2.299 -0.000 -5.781) 6.222 20.030 ( 8.788 0.000 -1.887) 8.988 20.874 ( -0.924 -0.000 -0.205) 0.947 20.999 ( 1.154 0.000 2.429) 2.689 22.122 ( -0.161 -0.000 9.968) 9.969 22.356 ( -0.244 -0.000 -2.837) 2.848 23.238 ( -2.332 -0.000 0.813) 2.469 23.526 ( 1.694 0.000 -1.428) 2.215 26.967 ( 0.006 0.000 0.160) 0.160 26.975 ( 0.078 0.000 0.024) 0.082 29.394 ( -5.544 -0.000 -4.237) 6.978 29.447 ( -1.440 -0.000 1.330) 1.960 30.719 ( 3.612 0.000 9.258) 9.937 30.860 ( 3.243 0.000 3.696) 4.917 30.907 ( 3.669 0.000 1.180) 3.854 31.482 ( 1.498 0.000 4.751) 4.981 31.531 ( 10.687 0.000 -2.116) 10.895 32.025 ( -5.097 -0.000 -2.702) 5.769 32.027 ( 0.257 0.000 -8.559) 8.562 32.304 ( -5.040 -0.000 -26.283) 26.762 32.773 ( -3.593 -0.000 0.355) 3.611 32.989 ( -0.737 -0.000 -81.572) 81.575 33.590 ( 1.904 0.000 2.883) 3.455 34.151 ( 2.219 0.000 -4.582) 5.091 35.349 ( -1.380 -0.000 1.722) 2.207 35.495 ( 0.559 0.000 -1.688) 1.778 35.560 ( -2.837 -0.000 4.958) 5.713 36.088 ( 4.407 0.000 -1.494) 4.653 36.202 ( 1.501 0.000 0.320) 1.535 36.441 ( 6.005 0.000 1.377) 6.161 37.710 ( -0.733 -0.000 76.092) 76.096 38.601 ( -6.216 -0.000 -11.854) 13.385 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -27.581 -13.140 -2.427) 30.648 0.940 ( -20.772 -19.683 4.268) 28.933 1.539 ( -36.889 -29.133 -0.598) 47.010 2.208 ( -5.155 -2.306 -3.674) 6.737 2.483 ( -2.451 -3.019 -1.912) 4.333 2.680 ( 1.110 1.673 -0.855) 2.183 2.782 ( -0.683 11.859 -0.410) 11.886 3.123 ( 2.343 6.588 -4.646) 8.395 3.467 ( 4.024 -6.784 0.514) 7.904 3.604 ( -2.912 0.003 -1.927) 3.492 3.629 ( 8.018 -8.154 -2.594) 11.726 3.702 ( 5.551 -2.064 -0.278) 5.929 3.842 ( 4.911 -0.064 0.241) 4.918 4.014 ( -4.572 -1.283 6.515) 8.062 4.176 ( 5.348 5.960 -7.482) 10.959 4.439 ( 8.757 -3.909 -0.492) 9.603 4.567 ( -3.388 -3.731 10.245) 11.418 4.860 ( 7.032 1.880 -0.000) 7.279 4.987 ( -2.270 -3.800 -4.079) 6.019 5.121 ( 7.718 4.644 5.183) 10.392 5.229 ( -3.352 -11.207 1.482) 11.791 5.377 ( 2.896 1.170 2.470) 3.982 5.547 ( 4.016 3.162 0.968) 5.202 5.651 ( -2.616 -3.379 1.709) 4.603 5.906 ( -4.988 8.597 -1.302) 10.024 6.001 ( -2.942 5.619 -1.082) 6.434 6.131 ( -6.866 5.022 2.429) 8.846 6.422 ( -0.872 -2.238 -2.870) 3.742 6.623 ( -1.181 4.249 2.103) 4.886 6.754 ( 2.439 -1.424 3.723) 4.673 7.700 ( -6.406 -0.674 -5.609) 8.541 8.012 ( 8.137 1.359 10.748) 13.549 8.242 ( -0.152 6.885 -2.286) 7.256 8.418 ( 2.440 -0.497 -4.613) 5.242 9.005 ( -2.822 2.046 4.034) 5.331 9.093 ( -6.701 -0.194 -3.209) 7.432 9.157 ( -3.188 -5.082 -2.345) 6.441 9.261 ( -1.048 1.927 -0.048) 2.194 9.508 ( -6.266 1.029 2.015) 6.662 9.702 ( 0.223 -0.061 0.462) 0.517 9.791 ( 4.882 -1.561 -1.146) 5.252 9.847 ( -0.567 3.971 -1.654) 4.338 10.087 ( -6.230 -3.199 -4.966) 8.585 10.270 ( 3.098 0.922 1.863) 3.730 10.467 ( -4.492 2.224 3.179) 5.935 10.958 ( 4.549 8.850 -1.864) 10.123 11.188 ( 1.482 4.890 8.888) 10.252 11.236 ( 0.453 5.501 2.546) 6.078 11.354 ( 3.983 -2.425 1.434) 4.879 11.593 ( -0.073 1.598 -4.408) 4.689 11.612 ( -4.226 1.016 -0.423) 4.367 11.881 ( -12.235 8.658 0.821) 15.011 12.029 ( 0.517 -1.043 3.150) 3.359 12.406 ( -7.072 4.953 -3.012) 9.144 12.506 ( 0.222 2.899 -1.429) 3.240 12.655 ( -1.781 -4.419 -3.421) 5.866 12.841 ( 2.173 4.478 -2.965) 5.794 12.973 ( 3.246 -1.953 -6.345) 7.390 13.238 ( -2.488 4.538 8.076) 9.592 13.492 ( -0.188 -1.433 -1.849) 2.347 13.598 ( 0.197 4.334 -0.638) 4.386 13.788 ( 4.809 -7.793 3.217) 9.706 14.408 ( -11.415 10.315 -8.561) 17.607 14.550 ( 1.412 -0.042 -0.051) 1.414 14.747 ( -4.066 -9.423 2.664) 10.603 15.139 ( 3.270 -4.724 1.812) 6.024 15.330 ( -4.243 -11.064 -3.771) 12.436 15.463 ( 11.826 -14.899 2.847) 19.234 15.898 ( 3.531 -0.879 -11.996) 12.536 16.209 ( 6.917 -3.381 -3.895) 8.628 16.676 ( 1.577 5.283 -0.134) 5.515 16.876 ( 11.924 -12.207 -6.097) 18.121 16.999 ( 3.211 -4.903 -0.259) 5.867 17.154 ( 2.983 -4.721 -3.318) 6.496 17.273 ( -4.626 -3.069 -2.469) 6.076 17.382 ( -2.967 -2.648 3.623) 5.380 19.757 ( 0.147 -3.478 -2.509) 4.292 20.104 ( 7.745 -2.418 -2.523) 8.497 20.784 ( -1.393 7.853 1.595) 8.133 20.989 ( 1.055 4.452 0.846) 4.653 22.185 ( -5.275 -2.050 7.128) 9.102 22.414 ( 0.459 -7.719 -2.846) 8.239 23.156 ( -0.531 5.535 4.137) 6.931 23.519 ( 3.266 3.274 -1.747) 4.944 27.056 ( -0.259 -9.588 0.143) 9.592 27.552 ( 32.782 -44.815 2.156) 55.567 29.200 ( -5.195 13.307 -4.709) 15.041 29.336 ( -1.382 12.027 1.297) 12.175 30.788 ( -2.888 -0.123 -4.202) 5.100 30.937 ( 1.535 -4.017 6.392) 7.704 30.961 ( 2.212 -2.866 -0.207) 3.626 31.280 ( -15.049 4.748 -18.357) 24.208 31.705 ( 9.846 -2.006 2.504) 10.356 31.790 ( -4.521 1.848 -23.811) 24.307 31.967 ( -1.761 4.755 1.966) 5.438 32.156 ( -4.565 -8.333 -36.309) 37.531 32.684 ( -7.636 -5.661 -13.296) 16.345 32.842 ( -2.460 -9.261 0.731) 9.609 33.598 ( 1.469 2.264 1.921) 3.313 34.103 ( 1.755 4.206 -3.825) 5.949 35.358 ( -1.586 -1.095 1.769) 2.616 35.483 ( 0.066 0.281 -0.678) 0.736 35.582 ( -2.354 -1.519 4.728) 5.496 36.063 ( 2.972 2.206 -1.326) 3.931 36.336 ( 1.919 -8.263 0.030) 8.483 36.478 ( 4.773 1.641 1.392) 5.236 37.844 ( -5.583 25.415 57.467) 63.083 38.445 ( -2.366 6.685 -10.549) 12.711 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( -25.977 -0.000 2.498) 26.097 0.609 ( -32.137 -0.000 10.389) 33.774 0.955 ( -44.364 -0.000 23.083) 50.009 2.146 ( -5.446 -0.000 5.929) 8.051 2.339 ( -8.501 -0.000 -2.323) 8.812 2.737 ( 0.386 0.000 -4.790) 4.805 2.956 ( 1.188 0.000 0.866) 1.470 3.294 ( -3.593 -0.000 -2.908) 4.622 3.409 ( 19.769 0.000 -2.619) 19.942 3.550 ( 8.945 0.000 -4.379) 9.960 3.604 ( -2.107 -0.000 3.112) 3.758 3.696 ( 5.607 0.000 -2.062) 5.974 3.867 ( 4.971 0.000 -1.555) 5.208 4.028 ( 0.793 0.000 7.661) 7.702 4.268 ( 0.618 0.000 -9.831) 9.850 4.337 ( 0.797 0.000 -0.188) 0.819 4.565 ( -4.939 -0.000 10.485) 11.590 4.811 ( -5.288 -0.000 -0.055) 5.289 4.962 ( 4.146 0.000 -2.820) 5.014 5.109 ( 0.271 0.000 -2.872) 2.884 5.383 ( 17.686 0.000 12.899) 21.890 5.413 ( 3.826 0.000 -1.462) 4.096 5.542 ( -3.044 -0.000 2.263) 3.793 5.740 ( 8.584 0.000 -1.115) 8.656 5.982 ( -7.817 -0.000 0.366) 7.825 5.985 ( -5.767 -0.000 -3.133) 6.563 6.090 ( -11.123 -0.000 -3.337) 11.612 6.378 ( 0.267 0.000 -1.598) 1.620 6.663 ( -1.510 -0.000 0.930) 1.774 6.757 ( -0.227 -0.000 0.062) 0.236 7.646 ( -1.515 -0.000 1.496) 2.129 8.162 ( 11.208 0.000 15.439) 19.079 8.351 ( -0.538 -0.000 -3.197) 3.242 8.391 ( 4.939 0.000 1.338) 5.117 9.007 ( -3.254 -0.000 2.118) 3.883 9.084 ( -0.437 -0.000 -0.066) 0.442 9.095 ( -0.052 -0.000 -4.558) 4.558 9.230 ( -4.309 -0.000 -1.374) 4.523 9.485 ( -6.337 -0.000 4.204) 7.605 9.748 ( 0.230 0.000 -3.527) 3.534 9.749 ( -2.885 -0.000 -9.530) 9.957 9.846 ( -4.937 -0.000 -3.539) 6.075 10.070 ( 5.021 0.000 4.188) 6.539 10.309 ( 3.517 0.000 1.070) 3.676 10.488 ( -4.179 -0.000 7.180) 8.307 11.146 ( 9.354 0.000 2.585) 9.705 11.239 ( 0.430 0.000 2.365) 2.404 11.267 ( -5.526 -0.000 -0.827) 5.588 11.368 ( 2.494 0.000 2.768) 3.726 11.632 ( 3.987 0.000 -4.094) 5.715 11.647 ( 1.739 0.000 2.391) 2.956 11.977 ( -1.065 -0.000 -5.448) 5.551 12.187 ( -14.490 -0.000 -10.325) 17.792 12.417 ( 8.588 0.000 20.828) 22.529 12.454 ( -2.855 -0.000 -3.659) 4.641 12.527 ( 1.096 0.000 -1.414) 1.789 12.919 ( 1.274 0.000 0.407) 1.338 12.936 ( 4.453 0.000 -10.222) 11.150 13.293 ( -8.598 -0.000 1.396) 8.711 13.441 ( -0.876 -0.000 -1.216) 1.499 13.688 ( 2.877 0.000 -2.959) 4.127 13.726 ( 2.426 0.000 1.363) 2.783 14.527 ( 3.330 0.000 -2.281) 4.036 14.542 ( -9.074 -0.000 -13.419) 16.199 14.644 ( -24.550 -0.000 -37.327) 44.677 14.784 ( -4.680 -0.000 4.203) 6.291 15.110 ( -0.948 -0.000 -0.752) 1.209 15.160 ( -2.176 -0.000 -3.099) 3.786 15.595 ( -6.246 -0.000 -8.833) 10.818 16.247 ( 7.891 0.000 7.566) 10.933 16.684 ( -4.612 -0.000 -0.876) 4.694 16.767 ( -1.351 -0.000 -1.470) 1.997 16.964 ( -0.206 -0.000 0.260) 0.332 17.105 ( 2.199 0.000 -4.235) 4.771 17.202 ( -2.092 -0.000 -0.948) 2.297 17.364 ( -3.663 -0.000 5.914) 6.957 19.721 ( 1.316 0.000 0.376) 1.369 20.158 ( 5.918 0.000 2.586) 6.458 20.869 ( -0.298 -0.000 0.917) 0.964 21.066 ( 3.307 0.000 2.017) 3.873 22.226 ( -1.404 -0.000 -0.059) 1.405 22.328 ( 0.879 0.000 -2.704) 2.843 23.225 ( -1.455 -0.000 2.750) 3.112 23.533 ( 1.371 0.000 -1.821) 2.279 26.968 ( -0.051 -0.000 0.044) 0.067 26.976 ( 0.051 0.000 -0.035) 0.062 29.307 ( 0.085 0.000 2.470) 2.472 29.430 ( -2.190 -0.000 1.141) 2.470 30.701 ( -52.329 -0.000 -78.884) 94.662 30.827 ( 0.990 0.000 3.133) 3.285 30.939 ( 0.055 0.000 5.346) 5.346 30.955 ( 1.694 0.000 -0.786) 1.868 31.551 ( -1.426 -0.000 5.514) 5.696 31.720 ( 4.108 0.000 -2.067) 4.599 31.932 ( -3.327 -0.000 -0.558) 3.373 32.095 ( -0.406 -0.000 1.177) 1.245 32.543 ( -2.701 -0.000 2.368) 3.592 32.727 ( -2.703 -0.000 0.530) 2.754 33.635 ( 0.755 0.000 1.044) 1.289 34.129 ( 1.518 0.000 -4.771) 5.007 35.344 ( -1.489 -0.000 1.513) 2.123 35.490 ( 1.238 0.000 -1.422) 1.886 35.578 ( -1.496 -0.000 3.910) 4.186 36.119 ( 2.897 0.000 -3.521) 4.559 36.236 ( 1.581 0.000 1.436) 2.136 36.541 ( 3.412 0.000 2.304) 4.117 38.431 ( 1.074 0.000 -9.625) 9.685 38.711 ( 22.589 0.000 36.562) 42.977 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 7.930 0.000 24.157) 25.425 1.294 ( 4.966 0.000 27.545) 27.989 1.871 ( -4.383 -0.000 -13.148) 13.859 2.034 ( 3.453 0.000 33.330) 33.509 2.203 ( 1.352 0.000 -12.048) 12.123 2.892 ( 5.781 0.000 -6.016) 8.344 3.013 ( 2.331 0.000 1.960) 3.045 3.061 ( -2.798 -0.000 3.907) 4.806 3.544 ( -0.949 -0.000 -5.992) 6.067 3.584 ( 2.924 0.000 1.177) 3.152 3.636 ( 6.043 0.000 3.799) 7.138 3.661 ( 0.912 0.000 -2.638) 2.791 3.797 ( -5.878 -0.000 -10.646) 12.161 3.827 ( 3.675 0.000 -5.172) 6.344 4.169 ( 1.445 0.000 2.753) 3.109 4.345 ( -5.620 -0.000 -3.172) 6.453 4.847 ( 4.097 0.000 2.797) 4.961 4.868 ( -2.451 -0.000 7.580) 7.967 5.026 ( 5.759 0.000 5.843) 8.205 5.034 ( 1.237 0.000 3.108) 3.345 5.205 ( -2.364 -0.000 -4.654) 5.220 5.218 ( -4.033 -0.000 0.328) 4.046 5.468 ( -4.885 -0.000 -6.375) 8.031 5.556 ( -16.942 -0.000 -10.875) 20.132 5.780 ( 7.371 0.000 -0.170) 7.373 5.920 ( 0.492 0.000 -3.927) 3.958 6.254 ( 1.707 0.000 8.888) 9.050 6.360 ( 3.441 0.000 -1.174) 3.635 6.583 ( 0.814 0.000 -2.859) 2.972 6.627 ( -5.760 -0.000 -1.859) 6.053 7.963 ( 4.005 0.000 2.262) 4.600 8.031 ( -11.438 -0.000 -7.122) 13.474 8.383 ( 0.683 0.000 2.816) 2.897 8.572 ( 0.438 0.000 0.208) 0.485 8.959 ( 5.186 0.000 1.339) 5.356 8.964 ( -1.810 -0.000 -0.244) 1.827 9.132 ( 2.443 0.000 2.184) 3.277 9.221 ( 6.512 0.000 5.344) 8.424 9.442 ( -4.990 -0.000 -4.287) 6.579 9.474 ( -1.491 -0.000 -8.137) 8.273 9.717 ( -1.537 -0.000 10.415) 10.528 10.032 ( 7.108 0.000 -0.443) 7.122 10.334 ( -5.723 -0.000 1.090) 5.825 10.379 ( -0.440 -0.000 0.062) 0.445 10.719 ( -2.571 -0.000 3.906) 4.676 10.760 ( 6.099 0.000 -5.858) 8.457 11.026 ( -8.707 -0.000 -0.358) 8.714 11.275 ( -2.632 -0.000 3.134) 4.092 11.367 ( -5.976 -0.000 -8.603) 10.475 11.443 ( 6.164 0.000 -5.124) 8.016 11.720 ( 4.960 0.000 6.904) 8.501 11.772 ( -1.606 -0.000 3.578) 3.922 12.268 ( 4.772 0.000 6.240) 7.855 12.498 ( 3.875 0.000 -2.895) 4.837 12.586 ( 7.782 0.000 2.870) 8.295 12.709 ( -12.381 -0.000 -2.401) 12.611 12.873 ( 3.400 0.000 -2.497) 4.218 12.889 ( -0.383 -0.000 -1.852) 1.891 13.375 ( 0.776 0.000 -1.572) 1.753 13.472 ( -5.921 -0.000 -0.493) 5.941 13.546 ( 1.622 0.000 -2.023) 2.593 13.548 ( -1.770 -0.000 -3.644) 4.051 14.508 ( 1.866 0.000 -1.084) 2.158 14.538 ( -0.396 -0.000 -1.883) 1.924 14.823 ( 21.231 0.000 7.287) 22.446 14.842 ( -4.339 -0.000 3.962) 5.876 15.054 ( 6.805 0.000 -3.426) 7.619 15.126 ( -3.920 -0.000 -2.426) 4.610 15.960 ( 16.305 0.000 7.944) 18.137 16.197 ( -13.865 -0.000 -2.680) 14.122 16.641 ( -0.704 -0.000 -1.682) 1.824 16.648 ( -0.143 -0.000 -3.559) 3.562 16.971 ( -0.363 -0.000 1.005) 1.069 16.994 ( 1.966 0.000 -2.048) 2.839 17.302 ( 5.483 0.000 3.480) 6.494 17.390 ( -7.033 -0.000 0.474) 7.049 19.950 ( 5.868 0.000 7.220) 9.303 20.161 ( -5.010 -0.000 -2.143) 5.449 20.941 ( -0.075 -0.000 3.025) 3.026 21.046 ( -0.475 -0.000 -1.166) 1.259 22.056 ( -8.405 -0.000 3.738) 9.199 22.254 ( 4.676 0.000 -4.214) 6.294 23.274 ( -2.993 -0.000 3.392) 4.524 23.452 ( 1.718 0.000 -4.041) 4.391 26.972 ( -0.078 -0.000 0.135) 0.156 26.975 ( 0.056 0.000 -0.028) 0.063 29.413 ( 1.894 0.000 1.310) 2.303 29.429 ( -1.999 -0.000 0.604) 2.088 30.812 ( -0.596 -0.000 -0.938) 1.111 30.862 ( 1.379 0.000 -3.165) 3.452 31.103 ( -16.903 -0.000 8.446) 18.896 31.333 ( 53.194 0.000 1.394) 53.212 31.543 ( -10.755 -0.000 0.327) 10.760 31.577 ( -2.624 -0.000 -4.711) 5.393 32.053 ( 3.277 0.000 5.548) 6.443 32.184 ( 2.181 0.000 0.875) 2.350 32.722 ( -2.588 -0.000 1.167) 2.839 32.821 ( 21.310 0.000 -2.563) 21.464 33.647 ( -2.573 -0.000 1.839) 3.162 33.908 ( 2.444 0.000 -9.225) 9.543 35.384 ( -2.093 -0.000 2.505) 3.265 35.482 ( 2.329 0.000 -1.218) 2.628 35.672 ( -2.200 -0.000 4.320) 4.848 35.951 ( 1.746 0.000 -7.423) 7.626 36.395 ( 1.931 0.000 6.333) 6.621 36.591 ( -3.126 -0.000 -0.931) 3.261 38.184 ( -46.726 -0.000 1.034) 46.737 38.327 ( 20.894 0.000 -5.467) 21.597 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 9.981 -27.237 16.697) 33.471 1.593 ( 6.853 -10.729 24.165) 27.314 1.901 ( -3.023 -12.218 -14.811) 19.437 2.204 ( 8.670 -4.937 5.828) 11.554 2.330 ( 11.481 -8.880 5.068) 15.374 2.824 ( 2.222 4.675 -10.184) 11.424 2.938 ( -2.704 6.854 1.095) 7.449 3.013 ( 3.478 5.620 2.807) 7.180 3.428 ( -1.970 4.639 -2.474) 5.614 3.518 ( -0.374 7.522 -4.061) 8.556 3.607 ( 2.103 2.511 1.778) 3.726 3.705 ( 2.857 1.043 1.954) 3.615 3.750 ( -8.136 -3.245 -7.638) 11.621 3.903 ( 0.931 -6.908 -4.187) 8.131 4.190 ( 0.629 1.066 4.604) 4.768 4.281 ( -6.797 -0.865 -5.882) 9.030 4.875 ( -3.950 0.713 4.511) 6.038 4.920 ( -3.398 -1.003 1.927) 4.033 4.982 ( -6.896 2.200 5.160) 8.889 5.142 ( 8.594 2.612 3.692) 9.711 5.235 ( -1.303 -6.561 0.769) 6.733 5.290 ( 6.896 -3.941 1.353) 8.058 5.397 ( -14.909 -4.695 -7.705) 17.427 5.474 ( 6.709 -7.360 -2.922) 10.379 5.821 ( 5.831 2.040 0.330) 6.187 5.857 ( -1.515 3.111 -5.323) 6.349 6.288 ( -1.143 0.105 4.679) 4.818 6.397 ( 4.398 -0.562 -0.655) 4.482 6.518 ( -6.966 4.611 -2.623) 8.756 6.551 ( 2.902 4.584 -0.455) 5.445 7.876 ( -5.088 3.040 0.562) 5.954 7.993 ( -0.405 0.181 -3.060) 3.092 8.411 ( 6.483 2.535 7.421) 10.175 8.523 ( -4.183 2.983 -4.508) 6.835 8.938 ( -4.732 -0.813 0.357) 4.815 9.106 ( 10.432 -6.872 -1.879) 12.633 9.159 ( 1.991 1.485 4.876) 5.472 9.288 ( 2.771 0.770 2.566) 3.855 9.376 ( -2.111 0.301 -3.433) 4.041 9.435 ( 0.435 -1.494 -6.207) 6.399 9.801 ( 0.582 -2.664 9.329) 9.719 10.066 ( 0.889 -1.618 -4.925) 5.260 10.248 ( -0.822 6.121 3.668) 7.183 10.342 ( 0.304 4.321 -0.087) 4.333 10.652 ( -5.584 4.039 -0.649) 6.922 10.780 ( 8.902 3.174 -2.242) 9.713 11.038 ( -7.524 -4.146 5.615) 10.263 11.278 ( 0.536 -0.384 2.244) 2.339 11.331 ( -2.466 -5.464 -5.303) 8.004 11.438 ( 7.419 2.087 -4.731) 9.044 11.701 ( 2.532 6.029 4.359) 7.858 11.789 ( 5.505 5.262 1.626) 7.787 12.252 ( -3.598 4.096 5.726) 7.907 12.462 ( -1.069 2.166 -4.868) 5.434 12.543 ( -2.483 5.294 1.292) 5.988 12.626 ( 1.060 3.551 -1.296) 3.926 12.831 ( -0.857 3.975 -1.780) 4.439 12.862 ( 2.596 2.732 -1.812) 4.181 13.377 ( -0.556 -0.517 4.137) 4.206 13.482 ( -5.645 -4.773 -3.645) 8.242 13.525 ( 1.649 -1.072 0.047) 1.967 13.556 ( 2.682 0.104 -2.560) 3.709 14.496 ( 2.529 -0.890 2.397) 3.596 14.560 ( 0.515 -2.181 -1.597) 2.752 14.880 ( -1.664 -5.534 6.016) 8.342 15.040 ( -2.127 -7.151 -2.178) 7.772 15.161 ( -7.681 -9.110 -8.039) 14.373 15.258 ( 5.265 -15.733 -4.313) 17.141 16.084 ( 1.481 1.284 3.038) 3.615 16.122 ( 4.112 -0.252 1.432) 4.362 16.571 ( -2.377 5.263 -2.826) 6.429 16.627 ( 0.765 -0.783 -4.488) 4.620 17.010 ( 0.993 -4.531 1.624) 4.915 17.065 ( -0.308 -5.317 -2.745) 5.992 17.370 ( -3.130 -3.279 0.503) 4.560 17.406 ( 4.619 -3.491 2.569) 6.334 20.041 ( 4.737 -0.818 6.218) 7.860 20.114 ( -3.470 -1.288 -3.154) 4.863 20.881 ( -0.961 7.689 3.111) 8.350 20.983 ( 0.317 5.847 -1.755) 6.113 22.083 ( -6.022 -6.680 4.981) 10.281 22.339 ( 5.089 -7.257 -4.116) 9.773 23.210 ( -3.080 6.342 4.446) 8.335 23.410 ( 2.519 4.016 -4.361) 6.441 27.083 ( 0.131 -12.409 1.794) 12.539 27.176 ( -1.927 -19.898 -5.292) 20.680 29.306 ( -2.223 12.322 0.209) 12.522 29.347 ( 4.927 10.288 1.480) 11.503 30.808 ( -0.819 -1.275 0.262) 1.538 30.866 ( -2.442 -2.885 -3.772) 5.340 31.045 ( -22.548 -7.317 3.998) 24.040 31.487 ( 2.331 -0.400 3.966) 4.618 31.538 ( -1.409 -3.379 -7.407) 8.262 31.699 ( 20.004 2.063 -0.586) 20.119 32.041 ( 0.561 9.013 0.842) 9.069 32.158 ( 16.137 1.102 -1.334) 16.230 32.827 ( 0.117 -10.703 0.759) 10.730 33.038 ( 24.316 -4.366 -7.408) 25.792 33.616 ( -3.331 2.268 2.619) 4.806 33.846 ( 2.448 3.362 -8.446) 9.414 35.402 ( -1.832 -2.125 2.272) 3.610 35.490 ( 1.399 -0.078 -0.865) 1.647 35.699 ( -2.209 -1.903 5.301) 6.050 35.967 ( 2.293 -4.001 -7.192) 8.543 36.448 ( -0.021 -0.431 5.907) 5.923 36.550 ( -4.000 -0.116 -1.508) 4.276 37.740 ( -42.470 10.010 10.310) 44.835 38.397 ( 21.329 8.464 -2.846) 23.123 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.947 ( -5.844 -11.399 -4.961) 13.737 1.999 ( 9.803 -12.290 19.827) 25.303 2.144 ( 0.887 -20.867 3.089) 21.114 2.407 ( 5.413 1.085 8.876) 10.453 2.680 ( 9.054 -22.933 -16.968) 29.930 2.692 ( 3.267 2.810 -8.723) 9.729 2.878 ( -2.038 -3.346 -1.292) 4.125 3.000 ( 4.972 -3.144 2.989) 6.598 3.338 ( 0.833 4.384 -2.661) 5.195 3.436 ( 6.958 0.651 1.619) 7.173 3.529 ( 1.547 9.396 -2.506) 9.847 3.615 ( -0.101 3.605 -10.115) 10.739 3.719 ( -4.830 1.002 5.158) 7.137 3.996 ( -6.381 -4.277 -0.760) 7.720 4.177 ( -0.327 1.464 4.259) 4.515 4.244 ( 1.922 -0.086 -0.686) 2.042 4.786 ( -8.080 5.411 -1.142) 9.792 4.817 ( -4.951 3.657 4.332) 7.527 5.029 ( -1.660 -3.145 5.610) 6.642 5.105 ( -2.178 3.952 -1.551) 4.771 5.241 ( -4.597 0.411 -3.161) 5.594 5.397 ( 10.287 -0.123 2.850) 10.676 5.466 ( -4.612 -8.156 -1.974) 9.576 5.730 ( 1.577 -2.582 1.266) 3.280 5.791 ( 6.207 -5.517 -2.490) 8.669 5.824 ( 5.049 0.977 1.789) 5.445 6.288 ( -6.375 0.979 -0.954) 6.520 6.335 ( -4.512 3.240 -0.993) 5.643 6.421 ( 0.311 3.415 0.211) 3.436 6.497 ( 5.580 2.313 0.395) 6.053 7.860 ( 0.188 -0.296 3.938) 3.953 7.935 ( -1.429 2.952 -4.175) 5.309 8.360 ( -7.782 4.421 -6.757) 11.214 8.480 ( 8.073 1.179 7.899) 11.356 8.929 ( -5.885 -0.850 0.709) 5.988 9.139 ( -2.636 -1.797 -2.178) 3.863 9.220 ( -1.851 2.056 -0.222) 2.775 9.325 ( 12.636 -1.543 0.540) 12.741 9.418 ( 3.178 -3.848 1.015) 5.092 9.474 ( 3.818 -3.110 -1.396) 5.119 9.873 ( -2.496 -0.795 2.286) 3.476 10.036 ( -4.146 0.738 -4.837) 6.413 10.156 ( 4.568 8.174 3.655) 10.052 10.257 ( 3.995 5.389 1.825) 6.952 10.547 ( -4.768 2.297 0.573) 5.323 10.745 ( 6.143 5.509 -1.885) 8.464 11.038 ( -5.841 1.394 5.600) 8.211 11.321 ( -0.944 -3.389 1.642) 3.882 11.446 ( 5.409 -1.431 -6.022) 8.220 11.492 ( 4.242 -8.726 2.075) 9.921 11.637 ( 5.329 5.522 1.414) 7.803 11.669 ( 4.234 10.504 -0.712) 11.347 12.234 ( -5.246 -2.472 2.363) 6.263 12.345 ( -3.826 3.591 -5.793) 7.816 12.461 ( -2.442 0.670 1.968) 3.208 12.548 ( 0.547 5.149 -0.509) 5.203 12.700 ( -4.252 6.926 -2.268) 8.438 12.842 ( 4.631 2.403 0.075) 5.218 13.369 ( -1.939 2.164 4.044) 4.980 13.469 ( -3.515 1.515 -1.906) 4.276 13.578 ( -1.570 -5.221 -5.360) 7.646 13.653 ( 9.253 -5.785 4.479) 11.796 14.562 ( -4.924 -2.781 -4.577) 7.276 14.596 ( 2.433 -1.826 2.134) 3.716 14.967 ( -6.279 -4.623 1.292) 7.903 15.136 ( 1.902 -5.739 0.122) 6.048 15.281 ( -5.341 -11.979 -0.068) 13.116 15.467 ( -1.249 -9.258 -4.891) 10.545 16.095 ( 3.125 2.417 4.700) 6.140 16.195 ( 4.130 -4.898 -2.089) 6.739 16.461 ( -1.938 3.060 3.264) 4.875 16.593 ( -2.516 0.877 -7.687) 8.135 17.096 ( -2.532 -4.686 -1.988) 5.686 17.137 ( 0.681 -4.250 0.233) 4.310 17.437 ( -0.596 -4.641 -0.059) 4.680 17.505 ( 3.005 -1.991 1.647) 3.963 20.109 ( 1.478 -1.138 3.240) 3.738 20.136 ( -0.661 -5.069 -4.397) 6.742 20.716 ( -1.891 10.640 2.970) 11.207 20.835 ( 1.812 9.466 -2.702) 10.009 22.247 ( -3.565 -11.918 5.443) 13.578 22.519 ( 4.824 -10.604 -4.386) 12.448 23.078 ( -3.644 8.148 5.538) 10.504 23.308 ( 3.537 7.142 -3.912) 8.879 27.412 ( 0.236 -21.006 5.360) 21.680 27.503 ( -4.103 -22.582 -8.214) 24.377 28.975 ( -4.581 20.397 -0.915) 20.925 29.171 ( 9.400 15.958 1.435) 18.576 30.852 ( -2.715 -4.543 1.277) 5.444 30.909 ( -2.722 -7.263 -3.910) 8.686 31.058 ( -17.233 -9.133 1.014) 19.530 31.534 ( -5.734 -3.185 -5.272) 8.415 31.576 ( 0.540 -4.241 5.006) 6.583 31.684 ( 8.559 8.353 -0.331) 11.964 31.835 ( -0.440 11.800 -0.756) 11.832 32.339 ( 24.542 -2.359 -7.074) 25.650 33.047 ( 1.081 -11.957 -0.306) 12.010 33.209 ( 15.453 -1.582 -6.354) 16.783 33.550 ( -3.726 3.510 2.930) 5.898 33.740 ( 2.456 5.650 -6.272) 8.792 35.445 ( -1.643 -2.487 1.631) 3.398 35.504 ( 0.497 -1.164 -0.341) 1.311 35.761 ( -2.993 -3.110 7.179) 8.377 36.015 ( 2.415 -2.667 -5.637) 6.687 36.439 ( -5.539 1.536 3.163) 6.561 36.555 ( -1.357 -2.579 1.067) 3.103 37.391 ( -28.061 3.812 11.259) 30.475 38.319 ( 18.530 15.109 -3.347) 24.142 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.006 ( -5.409 -1.853 -8.107) 9.920 2.232 ( 4.039 5.170 -1.070) 6.647 2.305 ( -1.454 -1.897 7.955) 8.306 2.558 ( -12.845 -15.505 -1.538) 20.193 2.570 ( 5.511 3.206 4.360) 7.724 2.915 ( -4.965 -6.756 -13.159) 15.603 3.005 ( 0.172 -10.254 -5.530) 11.652 3.187 ( 3.700 -3.598 -5.189) 7.318 3.301 ( 5.374 8.477 -3.398) 10.596 3.430 ( 12.108 -8.725 2.671) 15.161 3.525 ( 1.955 3.123 1.884) 4.138 3.612 ( 9.895 -4.681 0.516) 10.959 3.700 ( 2.688 -1.805 1.346) 3.506 3.928 ( -9.977 -0.105 1.873) 10.151 4.238 ( 6.411 -1.246 -2.095) 6.859 4.284 ( 0.830 -1.289 7.207) 7.368 4.649 ( -10.648 3.287 5.257) 12.321 4.757 ( 1.626 1.646 -0.952) 2.502 4.955 ( -0.453 7.433 -6.114) 9.635 5.073 ( -1.573 1.284 2.112) 2.930 5.195 ( -2.323 -1.607 -3.327) 4.365 5.462 ( -6.899 1.319 2.377) 7.416 5.488 ( 12.004 1.505 0.887) 12.130 5.700 ( -4.470 -0.104 -0.410) 4.490 5.858 ( 3.533 0.386 0.144) 3.557 5.949 ( -2.053 -2.161 4.823) 5.670 6.142 ( -4.167 3.093 -2.138) 5.613 6.327 ( -0.403 2.918 0.476) 2.984 6.410 ( 1.754 -5.054 3.277) 6.273 6.555 ( 5.048 -2.922 -1.489) 6.020 7.809 ( -3.766 4.694 -2.837) 6.653 7.881 ( -2.072 0.054 0.540) 2.142 8.222 ( -6.535 1.419 -5.190) 8.465 8.577 ( 7.943 0.302 3.848) 8.831 8.891 ( -0.914 -0.544 0.516) 1.182 9.106 ( -3.720 0.919 -0.872) 3.929 9.241 ( 1.671 -1.466 3.159) 3.863 9.415 ( 7.584 -0.857 1.088) 7.710 9.489 ( -0.056 -0.339 1.658) 1.693 9.556 ( 3.955 -0.642 -1.311) 4.215 9.818 ( 0.146 2.370 -1.056) 2.598 9.952 ( -8.108 0.626 -1.874) 8.345 10.089 ( 6.442 5.183 -0.854) 8.312 10.248 ( -0.868 -1.589 0.338) 1.842 10.494 ( 0.315 3.865 3.822) 5.445 10.682 ( 4.080 3.872 -3.577) 6.666 11.002 ( -4.285 1.287 5.726) 7.267 11.388 ( -1.966 -3.346 2.306) 4.515 11.433 ( 6.718 6.934 -3.383) 10.230 11.500 ( -0.944 2.702 -4.762) 5.557 11.568 ( 3.788 3.665 1.184) 5.403 11.766 ( 6.333 -8.800 1.709) 10.976 12.168 ( -6.280 -0.495 -4.642) 7.825 12.402 ( 4.127 -4.947 3.991) 7.579 12.410 ( -6.590 5.941 -1.262) 8.962 12.504 ( -0.795 -2.041 0.628) 2.279 12.559 ( -2.232 -0.104 -0.353) 2.262 12.811 ( 6.204 7.363 1.333) 9.720 13.330 ( -1.977 2.981 3.467) 4.982 13.417 ( -0.922 -0.297 -2.433) 2.619 13.647 ( -4.415 -8.223 -4.753) 10.474 13.826 ( 6.690 -1.531 3.349) 7.636 14.447 ( -7.937 3.529 -8.331) 12.036 14.629 ( 0.095 0.478 2.512) 2.559 15.056 ( -2.415 -8.335 1.198) 8.760 15.285 ( 0.263 -6.320 3.438) 7.199 15.388 ( -0.190 -2.327 0.522) 2.393 15.545 ( 1.439 -2.230 -0.490) 2.699 16.127 ( 0.763 -1.527 4.704) 5.004 16.253 ( -0.665 -1.198 -5.447) 5.616 16.430 ( -4.044 5.131 0.262) 6.538 16.580 ( 4.202 -7.729 -0.901) 8.844 17.123 ( -2.732 -2.586 -3.379) 5.057 17.224 ( 1.095 -3.549 2.106) 4.269 17.482 ( -1.372 -0.579 -1.472) 2.094 17.543 ( 1.441 -0.107 2.582) 2.958 20.148 ( -1.086 -2.404 -0.415) 2.671 20.211 ( 1.298 -4.219 -3.839) 5.850 20.536 ( -2.350 7.810 1.782) 8.348 20.671 ( 3.171 8.921 -1.953) 9.667 22.485 ( -1.927 -12.964 5.116) 14.069 22.721 ( 3.880 -10.135 -4.671) 11.815 22.937 ( -3.823 7.225 5.728) 9.981 23.170 ( 3.390 9.095 -2.991) 10.157 27.818 ( -4.256 -21.552 -6.140) 22.810 27.856 ( -0.480 -23.145 6.564) 24.063 28.539 ( -4.794 22.617 -0.792) 23.133 28.956 ( 13.040 17.866 -0.321) 22.121 30.937 ( -4.631 -6.815 1.754) 8.424 31.033 ( -1.878 -9.851 -2.979) 10.461 31.096 ( -8.277 -5.492 0.719) 9.959 31.481 ( -2.015 4.620 0.038) 5.040 31.582 ( 0.611 2.374 -9.090) 9.415 31.631 ( 0.469 8.403 -0.988) 8.474 31.701 ( -2.853 -3.915 8.010) 9.361 32.479 ( 22.432 2.707 -9.991) 24.705 33.216 ( 0.472 -5.928 -3.969) 7.150 33.281 ( 4.692 0.514 1.673) 5.008 33.495 ( -2.284 -1.109 -0.223) 2.549 33.624 ( 2.088 6.393 -2.320) 7.115 35.471 ( -1.862 -1.102 1.068) 2.413 35.531 ( 0.236 -1.319 -0.136) 1.347 35.832 ( -3.953 -2.554 8.381) 9.612 36.027 ( 1.419 0.302 -2.468) 2.863 36.382 ( -6.446 1.148 3.964) 7.654 36.594 ( -1.990 -1.564 2.500) 3.558 37.309 ( -13.153 -6.833 4.462) 15.479 38.136 ( 13.982 15.801 -4.902) 21.661 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.826 ( -9.519 9.491 -1.717) 13.552 2.099 ( -0.014 11.619 2.978) 11.994 2.234 ( -1.751 6.365 -8.863) 11.052 2.527 ( 2.577 -0.139 8.993) 9.356 2.758 ( -6.846 -1.260 0.282) 6.967 2.897 ( 2.035 0.818 -5.496) 5.918 3.041 ( -1.470 -2.737 -5.162) 6.025 3.169 ( 4.593 -0.408 -10.029) 11.038 3.296 ( 0.756 1.936 -1.276) 2.439 3.454 ( 0.172 -0.543 4.111) 4.150 3.646 ( 4.951 -3.614 -2.249) 6.529 3.712 ( -0.934 0.574 4.033) 4.180 3.839 ( 6.850 -3.815 5.748) 9.722 3.973 ( -0.727 -4.562 -4.089) 6.169 4.236 ( 2.026 2.518 -2.689) 4.204 4.330 ( -5.157 0.470 7.324) 8.970 4.587 ( -6.912 -2.303 4.375) 8.498 4.757 ( 2.837 -0.055 -6.146) 6.770 4.806 ( 5.077 3.992 -2.540) 6.940 5.096 ( 3.787 -3.709 -2.382) 5.812 5.216 ( 2.779 -1.843 0.138) 3.337 5.392 ( -10.184 -1.744 -0.510) 10.344 5.557 ( 11.305 1.084 1.801) 11.499 5.659 ( -5.949 -0.252 -1.922) 6.257 5.836 ( -1.334 2.616 1.903) 3.499 5.940 ( -4.913 1.128 3.964) 6.413 6.089 ( -1.245 2.108 3.011) 3.881 6.336 ( 3.324 -0.696 2.173) 4.032 6.506 ( 1.024 -2.293 0.233) 2.522 6.647 ( 4.192 -4.105 -3.188) 6.678 7.719 ( -1.582 1.570 0.379) 2.261 7.867 ( -1.384 -0.619 0.754) 1.694 8.124 ( -7.329 0.034 -5.353) 9.076 8.561 ( 3.897 5.184 -4.074) 7.659 9.010 ( 8.047 -3.993 8.218) 12.175 9.080 ( -2.968 -0.892 -0.308) 3.115 9.264 ( 2.439 3.173 5.184) 6.549 9.427 ( -3.427 4.174 0.152) 5.403 9.478 ( 2.038 -1.564 -2.432) 3.538 9.566 ( -1.029 -2.412 -1.265) 2.912 9.812 ( 1.768 6.609 1.500) 7.004 9.903 ( 0.122 -3.485 3.030) 4.620 10.067 ( -1.380 -3.612 -7.300) 8.261 10.287 ( -1.300 -1.442 3.107) 3.664 10.462 ( 0.850 0.470 1.785) 2.032 10.601 ( -0.453 4.353 -6.513) 7.847 10.996 ( -4.251 -0.716 6.052) 7.430 11.321 ( 4.437 5.444 -1.537) 7.189 11.418 ( 0.778 1.793 1.442) 2.429 11.487 ( -4.044 -3.006 1.320) 5.209 11.539 ( 4.012 3.203 -0.826) 5.199 11.924 ( 0.200 -4.979 -2.227) 5.458 12.187 ( -2.307 -6.309 -2.728) 7.250 12.218 ( -3.963 6.248 -1.561) 7.562 12.444 ( 2.680 0.245 -0.329) 2.711 12.611 ( 0.766 -2.960 1.490) 3.401 12.680 ( 3.704 1.678 1.341) 4.282 12.696 ( 2.961 -2.596 3.011) 4.958 13.281 ( -3.115 2.171 3.182) 4.954 13.434 ( 2.472 -1.705 -2.260) 3.758 13.743 ( -7.390 -7.627 -5.131) 11.794 13.796 ( -0.015 4.284 -0.313) 4.295 14.301 ( -3.034 5.039 -1.737) 6.133 14.632 ( 1.265 0.655 0.667) 1.573 15.205 ( -0.527 -4.997 4.107) 6.490 15.262 ( -2.371 1.873 -2.962) 4.231 15.476 ( 2.550 -2.083 -0.431) 3.320 15.622 ( 3.449 -4.388 4.173) 6.969 16.096 ( -3.375 8.899 -2.334) 9.799 16.235 ( -1.747 -5.798 -1.475) 6.233 16.326 ( -3.060 5.153 4.085) 7.253 16.791 ( 8.645 -9.204 -3.549) 13.117 17.113 ( -0.969 -0.047 -3.139) 3.285 17.291 ( 1.408 -0.903 2.660) 3.143 17.430 ( -3.014 2.200 -2.198) 4.331 17.565 ( 0.786 1.010 3.259) 3.501 20.167 ( 0.995 2.604 -1.491) 3.162 20.185 ( 1.109 4.388 -0.796) 4.595 20.506 ( -0.798 -6.225 -2.908) 6.917 20.569 ( 2.030 3.496 0.854) 4.132 22.675 ( -2.547 -0.661 3.633) 4.486 22.762 ( -1.632 -0.074 2.241) 2.774 22.961 ( 2.030 -6.085 -3.646) 7.379 23.023 ( 1.967 4.249 -0.079) 4.683 28.039 ( -1.350 18.302 0.635) 18.363 28.142 ( -3.685 -20.194 -4.903) 21.105 28.348 ( -2.872 -18.149 6.163) 19.381 28.736 ( 15.363 17.482 -3.762) 23.575 30.997 ( -5.448 -1.150 1.467) 5.758 31.117 ( -3.020 -3.985 0.759) 5.057 31.189 ( 0.944 -6.160 -2.922) 6.883 31.338 ( 2.382 10.294 0.261) 10.569 31.503 ( -1.751 2.773 -1.904) 3.793 31.541 ( -3.709 -4.738 -8.648) 10.535 31.789 ( -4.044 -2.080 11.081) 11.978 32.456 ( 15.826 9.345 -12.076) 21.992 33.188 ( -2.329 6.876 1.436) 7.401 33.297 ( 1.533 -0.280 0.675) 1.698 33.526 ( -0.715 3.992 0.693) 4.115 33.590 ( 1.655 -8.632 -3.497) 9.459 35.472 ( -1.578 0.161 1.151) 1.960 35.540 ( -0.049 0.452 -0.013) 0.455 35.864 ( -5.615 0.658 8.019) 9.812 36.015 ( 1.038 0.643 0.101) 1.226 36.367 ( -2.135 -0.860 4.623) 5.164 36.602 ( -2.316 0.283 1.832) 2.967 37.442 ( -4.864 -13.357 0.123) 14.216 37.959 ( 8.236 9.424 -5.062) 13.501 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -7.789 13.512 7.556) 17.329 1.854 ( -6.472 16.067 13.580) 22.010 2.174 ( 8.149 -1.404 -0.795) 8.307 2.573 ( 2.948 5.386 8.184) 10.231 2.657 ( 7.167 8.283 1.689) 11.083 2.821 ( 1.001 3.889 -4.020) 5.682 2.965 ( -9.784 21.067 -1.287) 23.263 3.039 ( -2.403 2.324 -4.342) 5.480 3.273 ( 0.200 -4.245 -8.471) 9.478 3.532 ( -3.364 -4.355 1.895) 5.820 3.604 ( -0.884 5.035 -4.202) 6.617 3.703 ( 0.112 -1.164 -2.282) 2.564 3.911 ( -3.862 4.952 -1.348) 6.423 3.950 ( 3.462 -2.668 -2.143) 4.867 4.187 ( -7.128 -0.507 0.512) 7.164 4.375 ( 6.969 -2.816 5.170) 9.123 4.631 ( -3.026 -5.036 -1.227) 6.002 4.817 ( 8.274 -4.261 -4.314) 10.258 4.851 ( 5.299 -1.414 3.994) 6.784 5.156 ( 1.235 -4.226 -5.426) 6.988 5.316 ( 7.364 0.572 3.741) 8.279 5.356 ( -13.207 -6.094 -6.490) 15.927 5.611 ( -4.509 -0.961 -1.828) 4.959 5.667 ( 4.624 -4.828 0.838) 6.737 5.774 ( 2.024 6.175 3.096) 7.198 5.913 ( -0.020 2.030 7.279) 7.557 6.070 ( -3.806 0.856 4.196) 5.729 6.370 ( 3.731 0.164 -2.738) 4.631 6.527 ( -2.724 -1.358 -0.086) 3.044 6.692 ( 0.957 -1.398 -7.089) 7.289 7.709 ( 1.011 0.670 3.523) 3.726 7.927 ( 1.106 -4.599 -0.363) 4.745 8.083 ( -1.740 -3.062 -0.065) 3.523 8.490 ( 4.544 3.736 -0.444) 5.899 9.033 ( -6.462 2.878 -0.383) 7.084 9.093 ( 0.084 0.950 -1.089) 1.448 9.298 ( 5.282 0.056 8.279) 9.821 9.366 ( -4.008 1.286 1.663) 4.526 9.472 ( -4.663 -1.155 -0.848) 4.878 9.616 ( 1.039 -0.965 -2.947) 3.270 9.705 ( 3.362 2.985 0.856) 4.576 9.969 ( 3.657 1.984 -0.245) 4.168 10.111 ( -0.986 -4.771 -3.730) 6.135 10.345 ( -1.667 -4.422 10.173) 11.217 10.399 ( -6.763 3.240 -5.564) 9.338 10.601 ( 3.308 -6.621 -1.297) 7.514 11.034 ( -3.827 -3.930 5.008) 7.427 11.292 ( 2.289 1.261 1.293) 2.916 11.383 ( -0.460 1.770 -0.343) 1.861 11.491 ( -2.095 0.738 -2.137) 3.082 11.537 ( -1.105 -1.776 3.433) 4.020 11.895 ( -6.490 2.888 -3.777) 8.045 12.136 ( 3.190 -0.126 -2.473) 4.038 12.310 ( -0.804 -6.845 0.036) 6.892 12.455 ( 3.958 11.839 1.888) 12.625 12.522 ( 3.515 -4.953 -1.558) 6.270 12.719 ( 0.145 -1.066 -1.903) 2.186 12.865 ( -0.510 -6.672 -1.011) 6.768 13.270 ( -2.247 -2.163 5.377) 6.216 13.464 ( 4.192 0.116 -2.550) 4.908 13.599 ( -2.997 6.828 -3.027) 8.048 13.910 ( -3.903 -10.504 -0.902) 11.242 14.163 ( -2.336 7.969 1.340) 8.412 14.624 ( 2.386 2.481 0.958) 3.573 15.084 ( -2.972 7.994 0.648) 8.553 15.404 ( 1.735 -5.265 -1.120) 5.655 15.470 ( 3.867 1.480 -1.131) 4.293 15.665 ( -1.517 4.357 -3.797) 5.975 15.956 ( -0.532 2.824 3.331) 4.399 16.197 ( -2.206 7.101 6.041) 9.581 16.358 ( -1.244 -8.824 -2.240) 9.188 16.931 ( 8.091 -1.653 -11.969) 14.541 17.087 ( 2.592 1.493 -0.843) 3.108 17.281 ( 0.835 4.310 0.535) 4.423 17.375 ( -2.159 0.797 0.752) 2.422 17.549 ( -0.650 2.659 3.222) 4.228 20.027 ( 1.456 9.619 3.347) 10.289 20.159 ( 5.289 2.982 -4.014) 7.278 20.577 ( -1.689 -4.640 2.187) 5.401 20.663 ( 1.187 -10.070 -2.552) 10.456 22.524 ( -6.115 9.750 3.890) 12.149 22.707 ( 2.469 10.296 -4.093) 11.352 23.013 ( -2.299 -7.768 3.246) 8.727 23.174 ( 2.958 -10.085 -3.220) 10.992 27.652 ( -0.579 21.106 1.372) 21.159 28.376 ( 4.780 7.335 -14.876) 17.261 28.535 ( 8.083 -10.110 -0.724) 12.964 28.774 ( -2.134 -18.205 6.227) 19.358 30.901 ( -1.895 8.644 0.458) 8.861 31.105 ( 1.473 5.413 -1.206) 5.738 31.148 ( 0.991 7.056 -5.792) 9.182 31.277 ( -2.488 -2.275 3.643) 4.963 31.551 ( 2.435 -6.521 1.635) 7.150 31.588 ( -2.205 -7.191 -4.591) 8.812 31.828 ( -6.365 0.026 10.852) 12.581 32.279 ( 7.771 12.517 -11.168) 18.487 33.027 ( -1.771 9.829 3.106) 10.459 33.253 ( 0.988 7.867 1.876) 8.148 33.516 ( -1.976 -3.209 2.015) 4.273 33.735 ( 2.324 -8.456 -6.402) 10.858 35.456 ( -0.983 1.267 1.591) 2.259 35.518 ( 0.057 1.841 0.076) 1.843 35.815 ( -6.296 3.489 6.702) 9.835 36.028 ( 1.887 -0.069 0.930) 2.105 36.425 ( 1.452 -2.699 3.774) 4.861 36.561 ( 0.005 3.705 -0.791) 3.789 37.687 ( -4.010 -17.194 1.612) 17.729 37.901 ( 2.372 -1.607 -3.911) 4.848 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.312 ( -1.195 17.506 15.258) 23.253 1.663 ( -5.264 12.746 26.025) 29.453 2.214 ( -10.455 26.386 7.777) 29.428 2.400 ( -0.669 3.455 2.981) 4.612 2.499 ( 3.157 12.531 0.527) 12.934 2.624 ( 5.319 3.042 4.293) 7.481 2.823 ( -1.019 -1.459 -2.752) 3.277 2.868 ( 0.003 4.653 -0.773) 4.717 3.313 ( 2.843 -4.873 -8.485) 10.189 3.546 ( 0.814 -0.620 -8.705) 8.765 3.587 ( -0.807 -2.802 0.786) 3.020 3.673 ( -4.554 -0.294 -1.931) 4.955 3.842 ( 0.827 -1.222 -4.480) 4.717 3.988 ( 4.633 0.492 -1.731) 4.971 4.155 ( -3.251 0.640 1.710) 3.729 4.482 ( 3.171 -0.057 -1.170) 3.380 4.738 ( 3.147 -8.101 -0.415) 8.701 4.879 ( 4.193 1.055 2.707) 5.102 4.953 ( 3.475 -1.128 1.245) 3.860 5.177 ( -1.835 6.020 -3.487) 7.195 5.228 ( -0.740 -2.600 -7.388) 7.867 5.415 ( -1.224 -0.520 1.229) 1.811 5.589 ( -6.222 -1.271 -1.058) 6.438 5.647 ( -1.453 3.246 1.973) 4.067 5.815 ( 2.338 -3.832 -1.192) 4.645 5.972 ( -0.398 -0.409 6.930) 6.954 6.020 ( -2.282 0.967 2.351) 3.416 6.367 ( 3.562 0.939 -3.880) 5.350 6.536 ( -4.060 -3.667 -1.404) 5.648 6.655 ( -2.637 -1.383 -7.593) 8.156 7.771 ( 6.420 -0.538 7.950) 10.233 7.982 ( -4.514 -6.484 -4.738) 9.212 8.219 ( 3.128 -6.837 3.482) 8.286 8.497 ( 5.174 1.208 3.399) 6.307 8.913 ( -7.502 0.883 -0.929) 7.611 9.090 ( 0.721 -0.167 1.809) 1.954 9.265 ( -0.252 6.750 0.011) 6.755 9.301 ( -5.004 5.389 0.083) 7.354 9.481 ( 0.090 -1.057 1.982) 2.248 9.570 ( -4.243 -0.983 -5.717) 7.187 9.746 ( 0.214 0.591 2.241) 2.328 9.934 ( 4.594 2.167 0.128) 5.082 10.154 ( 1.216 -1.220 4.488) 4.807 10.337 ( -0.776 -2.121 -2.648) 3.480 10.515 ( -3.104 -8.280 9.984) 13.337 10.735 ( -0.026 -7.090 -4.299) 8.291 11.144 ( -2.403 -7.907 3.631) 9.026 11.291 ( -3.068 0.597 0.852) 3.239 11.363 ( -1.093 -0.719 -2.356) 2.695 11.460 ( 0.383 -0.909 -3.283) 3.428 11.578 ( -4.288 -2.421 4.757) 6.847 11.757 ( -5.315 3.498 -3.502) 7.263 12.155 ( 4.423 2.020 0.966) 4.957 12.355 ( 2.832 0.968 2.634) 3.987 12.406 ( -0.376 -3.767 -0.217) 3.792 12.630 ( 2.791 1.237 -3.230) 4.444 12.696 ( 2.578 -5.134 -1.938) 6.062 12.924 ( -0.391 -2.204 -2.864) 3.635 13.364 ( -3.485 -4.348 6.004) 8.192 13.464 ( 5.043 2.583 -2.644) 6.252 13.493 ( -1.314 0.295 -1.495) 2.012 13.914 ( -10.130 4.253 -6.310) 12.670 14.141 ( 8.210 -2.593 7.921) 11.700 14.592 ( 1.351 3.333 1.279) 3.817 14.938 ( -1.750 7.140 2.256) 7.689 15.297 ( -1.949 9.157 -5.120) 10.671 15.412 ( 0.937 9.652 -0.947) 9.743 15.623 ( 7.922 3.621 -10.546) 13.678 15.852 ( -0.167 9.017 5.764) 10.703 16.193 ( -4.146 -4.696 3.729) 7.291 16.512 ( 0.361 -9.460 -2.092) 9.695 16.834 ( 5.787 7.955 -14.151) 17.235 17.051 ( 3.415 5.925 -2.949) 7.448 17.195 ( 0.826 5.070 -1.126) 5.259 17.344 ( 0.383 3.618 3.295) 4.908 17.506 ( -2.999 2.303 2.948) 4.795 19.918 ( 2.838 6.682 4.753) 8.678 20.141 ( 4.675 1.051 -0.876) 4.871 20.698 ( -1.911 -8.290 3.090) 9.051 20.843 ( 1.687 -9.775 -2.140) 10.148 22.323 ( -7.924 8.635 3.834) 12.331 22.497 ( 2.887 11.449 -4.749) 12.727 23.147 ( -4.138 -7.130 2.854) 8.724 23.336 ( 2.450 -7.921 -4.873) 9.617 27.314 ( 0.155 17.408 1.737) 17.495 27.946 ( 5.863 28.505 -23.450) 37.374 28.904 ( 5.038 -19.522 2.615) 20.331 29.107 ( -3.725 -17.326 3.581) 18.080 30.725 ( 7.716 11.753 4.029) 14.625 31.010 ( 6.779 7.725 -1.896) 10.451 31.014 ( 1.617 5.290 -1.889) 5.845 31.280 ( -3.418 2.926 5.473) 7.085 31.663 ( -3.819 -2.103 1.968) 4.784 31.724 ( 0.661 -8.910 1.447) 9.051 31.856 ( -0.766 -4.276 2.562) 5.043 32.041 ( -0.348 10.623 -5.069) 11.776 32.864 ( 1.110 10.021 4.195) 10.920 33.085 ( -0.882 11.589 2.502) 11.889 33.584 ( -1.545 -3.926 1.576) 4.504 33.847 ( 2.475 -6.465 -8.191) 10.724 35.431 ( -0.897 1.889 2.046) 2.926 35.487 ( 0.622 1.682 -0.076) 1.795 35.740 ( -4.891 3.553 5.619) 8.254 36.042 ( 2.690 0.761 -1.468) 3.158 36.442 ( 0.674 4.902 -1.293) 5.115 36.536 ( 3.251 -1.561 2.490) 4.382 37.973 ( 9.960 -11.041 -12.763) 19.596 38.033 ( -19.481 -21.080 12.450) 31.287 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( 5.619 18.587 20.482) 28.224 1.358 ( -5.668 29.542 21.449) 36.945 1.856 ( -8.438 5.460 34.752) 36.176 2.160 ( -7.527 13.715 -11.948) 19.686 2.320 ( -2.820 5.767 -6.425) 9.083 2.794 ( 9.990 -3.061 10.057) 14.502 2.911 ( -0.682 -9.434 1.842) 9.636 2.950 ( 3.147 -8.794 -5.811) 11.001 3.419 ( 10.461 -5.461 -2.851) 12.140 3.523 ( 0.363 -2.772 -5.440) 6.117 3.627 ( 0.844 -0.742 -0.473) 1.219 3.653 ( -1.930 -0.322 0.373) 1.992 3.860 ( 3.706 -0.290 -5.450) 6.597 3.949 ( -0.135 4.790 -6.642) 8.190 4.144 ( 1.177 0.179 1.336) 1.789 4.425 ( -2.004 3.949 -2.214) 4.951 4.869 ( 0.904 0.574 2.232) 2.476 4.873 ( -2.334 4.143 6.454) 8.016 4.957 ( 7.623 -1.083 -0.599) 7.722 5.042 ( 0.874 5.627 0.808) 5.752 5.237 ( 0.301 -1.063 -5.954) 6.056 5.320 ( -7.108 4.581 -0.632) 8.480 5.544 ( -6.739 -0.714 -2.844) 7.349 5.657 ( -5.019 -4.227 -3.286) 7.339 5.815 ( -5.794 3.132 -6.751) 9.432 5.901 ( 0.453 -1.909 -2.295) 3.019 6.149 ( 6.301 -1.831 11.371) 13.128 6.357 ( 2.951 1.036 -2.031) 3.729 6.571 ( -3.159 -4.177 -3.505) 6.301 6.643 ( -3.975 -3.040 -3.235) 5.959 7.883 ( 6.234 -0.977 6.922) 9.367 8.060 ( -6.320 -8.207 -4.703) 11.376 8.337 ( -0.932 -4.925 -1.058) 5.123 8.542 ( 4.128 0.340 3.170) 5.216 8.918 ( -0.143 -2.420 3.578) 4.321 9.072 ( -8.247 6.103 0.241) 10.263 9.133 ( 2.300 2.783 -1.633) 3.963 9.174 ( 3.419 3.674 2.126) 5.451 9.490 ( -2.854 -0.540 -2.248) 3.673 9.524 ( -2.556 -0.978 -7.364) 7.856 9.714 ( -3.410 2.559 7.164) 8.336 9.975 ( 7.683 0.816 2.216) 8.038 10.263 ( 1.929 -5.176 6.050) 8.192 10.366 ( 0.115 -1.636 -0.811) 1.830 10.661 ( -2.770 -4.731 7.437) 9.240 10.778 ( -4.208 -4.081 -9.730) 11.359 11.170 ( -9.584 4.632 -2.528) 10.941 11.269 ( -3.010 -2.365 1.690) 4.185 11.374 ( 2.999 -3.475 -2.385) 5.173 11.465 ( -0.881 -0.357 -7.017) 7.081 11.631 ( -4.617 -2.916 5.618) 7.835 11.727 ( 1.101 -3.648 3.064) 4.890 12.178 ( 3.481 -0.080 5.295) 6.338 12.441 ( 3.045 -3.409 3.038) 5.488 12.458 ( 5.896 -3.700 -2.009) 7.245 12.676 ( 0.102 -6.643 1.584) 6.830 12.821 ( 4.937 -3.909 -1.702) 6.523 12.909 ( -2.251 0.007 -3.731) 4.358 13.372 ( -2.896 0.571 1.381) 3.259 13.482 ( 4.106 -0.487 2.348) 4.755 13.523 ( -0.582 -3.117 -1.793) 3.642 13.689 ( -8.111 7.038 -7.617) 13.166 14.330 ( 10.367 -5.321 7.644) 13.937 14.556 ( 0.771 1.558 -0.170) 1.747 14.818 ( 0.961 8.315 4.370) 9.442 15.099 ( -1.008 6.225 -4.331) 7.650 15.211 ( 4.852 22.897 -7.197) 24.487 15.270 ( 5.543 19.251 -6.851) 21.172 15.844 ( 9.383 3.383 8.131) 12.869 16.256 ( -8.796 -5.182 -0.336) 10.215 16.635 ( -0.147 -4.667 -3.709) 5.964 16.674 ( 0.872 3.666 -5.830) 6.942 16.958 ( 2.236 3.433 0.309) 4.108 17.091 ( 0.762 6.395 -2.139) 6.786 17.296 ( 2.494 4.252 2.985) 5.763 17.452 ( -5.711 1.610 1.883) 6.225 19.892 ( 4.745 2.904 6.259) 8.374 20.174 ( -0.857 -2.097 -0.218) 2.276 20.854 ( -0.439 -7.180 3.186) 7.868 20.993 ( 0.885 -6.394 -1.546) 6.637 22.153 ( -9.095 4.957 3.360) 10.889 22.319 ( 3.793 7.683 -4.691) 9.768 23.232 ( -4.949 -4.931 3.108) 7.646 23.431 ( 1.834 -3.866 -4.930) 6.529 27.065 ( 0.082 10.764 0.939) 10.805 27.293 ( -0.186 29.545 -11.984) 31.884 29.264 ( 2.963 -13.727 1.819) 14.161 29.349 ( -3.159 -10.463 1.335) 11.011 30.743 ( 17.268 0.886 4.522) 17.872 30.911 ( 3.444 5.084 -3.391) 7.015 31.005 ( 23.223 5.342 4.718) 24.292 31.198 ( -6.851 5.319 8.709) 12.291 31.615 ( -6.992 1.220 0.321) 7.105 31.738 ( -7.206 6.388 -5.036) 10.867 31.940 ( 6.920 -3.967 4.087) 8.962 32.054 ( -1.240 -10.121 2.536) 10.507 32.753 ( 5.934 7.060 3.390) 9.826 32.878 ( 0.253 11.573 1.551) 11.679 33.635 ( -1.895 -2.202 1.415) 3.232 33.908 ( 2.446 -3.555 -9.069) 10.043 35.401 ( -1.615 1.589 2.428) 3.321 35.473 ( 1.696 0.515 -0.672) 1.895 35.686 ( -3.164 2.049 4.603) 5.949 36.009 ( 2.561 2.750 -6.259) 7.301 36.374 ( 2.032 3.155 3.468) 5.110 36.592 ( -0.108 -1.465 0.819) 1.682 38.159 ( 15.758 -6.616 -9.508) 19.558 38.303 ( -34.279 -21.564 2.892) 40.601 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 15.974 0.000 20.068) 25.650 1.659 ( 2.307 0.000 -9.854) 10.121 1.751 ( 13.620 0.000 15.725) 20.804 2.152 ( 14.609 0.000 -18.939) 23.919 2.476 ( 10.134 0.000 17.019) 19.807 2.840 ( 4.075 0.000 -10.734) 11.481 3.004 ( -5.165 -0.000 -0.755) 5.220 3.097 ( 2.769 0.000 0.796) 2.881 3.437 ( -5.238 -0.000 -1.337) 5.406 3.490 ( -14.541 -0.000 -2.282) 14.719 3.608 ( -6.832 -0.000 -4.927) 8.423 3.624 ( 1.656 0.000 -5.247) 5.502 3.763 ( 3.731 0.000 3.263) 4.957 3.810 ( -1.775 -0.000 -2.593) 3.142 4.207 ( -2.246 -0.000 -3.872) 4.476 4.235 ( 0.661 0.000 6.154) 6.190 4.840 ( -14.129 -0.000 4.406) 14.800 4.891 ( -0.951 -0.000 0.489) 1.070 4.988 ( -4.243 -0.000 0.604) 4.286 5.140 ( -2.210 -0.000 0.477) 2.261 5.171 ( -12.201 -0.000 -7.413) 14.276 5.290 ( 10.531 0.000 9.674) 14.300 5.395 ( 14.927 0.000 4.326) 15.542 5.447 ( 9.286 0.000 -0.317) 9.291 5.838 ( -0.901 -0.000 -6.681) 6.742 5.872 ( 1.223 0.000 -0.439) 1.299 6.291 ( -2.021 -0.000 1.316) 2.412 6.445 ( 5.360 0.000 -0.511) 5.384 6.481 ( -6.430 -0.000 -1.780) 6.672 6.631 ( 3.304 0.000 2.195) 3.966 7.866 ( -4.662 -0.000 1.848) 5.015 7.994 ( 2.466 0.000 0.676) 2.557 8.499 ( -4.181 -0.000 -5.258) 6.717 8.511 ( 4.358 0.000 5.849) 7.294 8.929 ( -0.793 -0.000 -0.553) 0.967 9.021 ( -2.560 -0.000 -6.018) 6.540 9.267 ( 6.234 0.000 6.485) 8.995 9.337 ( 1.228 0.000 -1.889) 2.254 9.339 ( 4.847 0.000 -1.920) 5.214 9.404 ( 2.378 0.000 -1.968) 3.087 9.829 ( -0.421 -0.000 7.553) 7.564 10.020 ( -0.212 -0.000 -4.785) 4.790 10.336 ( 2.652 0.000 2.729) 3.805 10.410 ( 3.994 0.000 5.528) 6.820 10.612 ( -7.674 -0.000 -7.145) 10.486 10.876 ( 9.369 0.000 -2.310) 9.650 11.003 ( -2.470 -0.000 10.821) 11.100 11.211 ( -2.022 -0.000 -6.579) 6.883 11.303 ( 1.318 0.000 3.160) 3.424 11.492 ( 6.099 0.000 -3.147) 6.863 11.785 ( 0.540 0.000 0.871) 1.024 11.927 ( 13.539 0.000 3.288) 13.932 12.296 ( -8.209 -0.000 1.160) 8.291 12.400 ( -8.193 -0.000 -7.805) 11.316 12.531 ( -6.645 -0.000 -1.387) 6.788 12.707 ( 2.146 0.000 1.294) 2.507 12.866 ( 0.388 0.000 -2.178) 2.213 12.911 ( 3.841 0.000 -0.348) 3.856 13.369 ( -2.925 -0.000 -1.280) 3.193 13.425 ( 5.267 0.000 3.916) 6.563 13.492 ( -3.373 -0.000 -1.264) 3.602 13.579 ( 3.544 0.000 0.213) 3.550 14.497 ( -1.965 -0.000 -1.813) 2.674 14.513 ( -0.008 -0.000 -0.928) 0.928 14.808 ( -13.436 -0.000 -0.895) 13.465 14.875 ( -9.754 -0.000 -7.507) 12.308 14.965 ( 2.696 0.000 -0.701) 2.785 15.186 ( 5.993 0.000 -0.377) 6.005 16.011 ( -5.762 -0.000 -1.622) 5.986 16.282 ( 14.461 0.000 3.589) 14.900 16.592 ( -1.685 -0.000 -2.003) 2.617 16.634 ( 1.063 0.000 -0.457) 1.158 16.958 ( -1.735 -0.000 -0.411) 1.783 17.001 ( 0.376 0.000 -0.908) 0.983 17.294 ( -4.380 -0.000 -0.769) 4.447 17.450 ( 7.151 0.000 3.658) 8.033 20.044 ( -4.827 -0.000 -4.358) 6.504 20.112 ( 4.524 0.000 6.047) 7.552 20.968 ( -0.624 -0.000 2.610) 2.684 21.021 ( -0.991 -0.000 -1.177) 1.539 22.005 ( -4.750 -0.000 4.865) 6.800 22.292 ( 5.432 0.000 -3.314) 6.363 23.284 ( -1.297 -0.000 3.960) 4.167 23.444 ( 2.846 0.000 -3.403) 4.436 26.971 ( -0.207 -0.000 0.097) 0.229 26.975 ( -0.041 -0.000 -0.021) 0.046 29.417 ( -0.122 -0.000 -0.113) 0.167 29.486 ( 5.270 0.000 1.180) 5.400 30.752 ( -22.233 -0.000 -3.739) 22.546 30.797 ( -7.623 -0.000 2.914) 8.161 30.810 ( -2.744 -0.000 -2.326) 3.597 31.443 ( -4.326 -0.000 -5.640) 7.108 31.484 ( -1.034 -0.000 1.933) 2.192 31.911 ( 18.770 0.000 -1.395) 18.822 32.155 ( 3.167 0.000 3.063) 4.406 32.254 ( 9.119 0.000 -2.904) 9.570 32.705 ( 0.270 0.000 -0.686) 0.737 33.186 ( 37.770 0.000 -19.423) 42.472 33.627 ( -4.055 -0.000 4.049) 5.730 33.850 ( 3.002 0.000 -8.068) 8.609 35.376 ( -2.341 -0.000 2.175) 3.196 35.497 ( 1.768 0.000 -1.750) 2.488 35.697 ( -1.570 -0.000 5.242) 5.472 35.902 ( 2.355 0.000 -6.453) 6.869 36.483 ( -1.066 -0.000 6.798) 6.881 36.494 ( -5.713 -0.000 -2.920) 6.416 37.556 ( -42.893 -0.000 14.914) 45.412 38.641 ( 20.797 0.000 1.061) 20.824 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 3.346 -9.007 -5.858) 11.254 1.847 ( 9.721 -16.611 6.049) 20.175 2.031 ( 11.052 -6.813 19.748) 23.634 2.271 ( 16.307 -12.832 -17.251) 26.984 2.569 ( 4.759 2.865 -0.051) 5.555 2.757 ( 4.732 4.929 -8.943) 11.255 2.903 ( 0.345 4.879 1.348) 5.074 3.052 ( 0.725 4.979 -2.285) 5.526 3.364 ( -6.283 1.033 -1.406) 6.521 3.431 ( -7.497 -2.973 -10.426) 13.181 3.507 ( 0.351 0.452 -0.712) 0.913 3.663 ( -2.799 -4.160 -0.375) 5.028 3.732 ( -2.156 3.728 2.424) 4.942 3.862 ( -2.259 -4.930 1.764) 5.703 4.202 ( 3.002 -0.308 -1.882) 3.556 4.273 ( -0.384 -0.156 6.438) 6.452 4.729 ( -22.158 -1.057 3.039) 22.391 4.852 ( -1.579 3.008 -0.406) 3.421 4.969 ( -1.320 -1.547 -0.178) 2.042 5.069 ( -5.325 0.668 -0.786) 5.424 5.171 ( -3.133 -3.348 -2.179) 5.077 5.403 ( 7.710 -1.340 2.526) 8.223 5.539 ( 15.539 0.890 5.787) 16.605 5.659 ( 8.705 -9.414 5.333) 13.887 5.787 ( 2.634 2.141 -5.258) 6.258 5.857 ( -0.541 -0.886 0.166) 1.052 6.266 ( -3.060 1.327 0.514) 3.374 6.333 ( -7.683 4.578 -6.291) 10.934 6.513 ( 7.139 2.198 3.448) 8.227 6.616 ( 1.622 4.871 2.049) 5.527 7.867 ( -1.105 -0.434 3.150) 3.366 8.003 ( 4.124 3.694 1.952) 5.871 8.373 ( -5.400 5.768 -5.475) 9.613 8.554 ( 1.052 -0.585 2.364) 2.653 8.880 ( -4.907 0.200 0.279) 4.919 9.038 ( -4.931 -4.959 -2.451) 7.411 9.248 ( -1.642 3.880 -0.463) 4.238 9.349 ( 9.712 -1.600 -4.085) 10.657 9.437 ( 3.515 -0.250 3.465) 4.942 9.464 ( 8.544 -3.788 0.365) 9.353 9.855 ( -3.010 -0.341 2.593) 3.988 10.010 ( 1.982 -0.543 -3.492) 4.052 10.317 ( 1.464 4.748 1.294) 5.135 10.442 ( 6.397 8.020 0.545) 10.273 10.513 ( -4.698 -1.627 2.518) 5.573 10.885 ( 7.233 4.526 -2.502) 8.892 11.058 ( -2.031 0.035 8.999) 9.226 11.236 ( -1.608 -4.676 -2.170) 5.400 11.353 ( 3.504 -3.454 1.413) 5.119 11.514 ( 6.494 0.494 -1.174) 6.617 11.769 ( 4.307 3.426 1.498) 5.704 11.944 ( 12.513 11.862 -5.800) 18.191 12.183 ( -9.811 0.951 4.506) 10.838 12.301 ( -7.391 -0.130 -6.499) 9.843 12.444 ( -5.472 1.691 -1.576) 5.940 12.663 ( -2.641 4.402 0.103) 5.134 12.807 ( -0.472 8.417 -1.656) 8.592 12.871 ( 0.452 1.086 -1.363) 1.801 13.365 ( -3.339 -1.187 -1.832) 3.989 13.414 ( -2.460 0.699 3.895) 4.660 13.590 ( 2.980 1.649 -0.151) 3.409 13.638 ( 10.427 -7.671 4.314) 13.645 14.436 ( -9.346 0.914 -7.983) 12.325 14.541 ( -0.040 -4.928 -0.605) 4.965 14.795 ( -11.883 -14.008 -2.830) 18.586 14.968 ( -1.887 -11.924 3.238) 12.499 15.029 ( 0.967 -5.646 -1.954) 6.052 15.275 ( 0.267 -7.066 -1.514) 7.231 16.028 ( -0.951 -6.117 -4.214) 7.489 16.319 ( 8.543 6.809 3.264) 11.402 16.520 ( -1.703 4.709 0.396) 5.023 16.613 ( 0.597 3.485 0.214) 3.543 16.974 ( -2.826 -3.904 -2.713) 5.531 17.057 ( 0.033 -5.321 0.246) 5.327 17.324 ( -1.382 -5.824 -0.720) 6.029 17.526 ( 4.931 -0.711 2.655) 5.645 20.013 ( -3.173 -3.426 -5.235) 7.015 20.151 ( 1.606 1.645 3.253) 3.984 20.890 ( -1.871 8.019 2.412) 8.580 20.968 ( 0.506 5.150 -1.996) 5.546 22.071 ( -3.177 -7.513 5.381) 9.772 22.379 ( 5.169 -6.629 -3.229) 9.005 23.230 ( -1.684 6.868 5.039) 8.683 23.416 ( 3.563 3.870 -3.180) 6.147 27.106 ( -0.467 -14.454 2.399) 14.659 27.111 ( -1.125 -14.339 -2.353) 14.575 29.267 ( -2.063 14.969 -0.954) 15.141 29.460 ( 7.182 8.338 0.394) 11.012 30.645 ( -17.175 -9.951 -5.585) 20.620 30.793 ( -2.870 -2.299 1.529) 3.982 30.822 ( -5.334 -4.547 0.347) 7.017 31.405 ( -4.432 -2.646 -4.986) 7.176 31.523 ( -1.260 -3.655 3.553) 5.250 31.906 ( 5.742 8.676 0.242) 10.407 32.057 ( 2.425 11.872 -1.446) 12.203 32.387 ( 14.571 -5.842 -3.861) 16.166 32.833 ( 1.707 -11.414 -1.541) 11.643 33.322 ( 29.838 2.131 -22.002) 37.134 33.597 ( -4.650 2.538 5.141) 7.382 33.807 ( 4.120 3.009 -6.515) 8.275 35.393 ( -2.204 -2.331 1.722) 3.641 35.496 ( 1.010 0.091 -1.271) 1.626 35.732 ( -2.199 -1.888 6.215) 6.858 35.934 ( 3.451 -4.312 -6.088) 8.220 36.426 ( -6.129 0.794 -1.146) 6.285 36.508 ( -3.453 -1.349 3.284) 4.952 37.316 ( -31.784 3.640 19.640) 37.539 38.697 ( 17.018 11.053 0.596) 20.301 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.842 ( 2.227 -8.253 -6.611) 10.806 2.099 ( -10.071 -7.576 -1.325) 12.672 2.321 ( 3.058 -9.145 14.779) 17.646 2.441 ( 3.385 7.591 -9.802) 12.852 2.624 ( 10.050 -14.539 -5.704) 18.572 2.765 ( 6.537 2.174 -3.582) 7.764 2.816 ( -0.380 -0.428 -7.070) 7.093 3.083 ( 9.440 -9.863 -3.961) 14.215 3.295 ( -6.588 0.380 -4.371) 7.915 3.397 ( 6.211 -3.140 -5.370) 8.790 3.568 ( 6.930 -3.196 0.384) 7.641 3.670 ( -3.562 0.533 3.759) 5.206 3.732 ( 3.192 -0.747 1.625) 3.659 3.887 ( -5.518 0.413 1.651) 5.775 4.240 ( 3.528 -1.548 0.397) 3.873 4.301 ( -3.135 -0.496 5.795) 6.608 4.605 ( -15.890 -0.181 4.290) 16.460 4.785 ( 1.081 2.659 -2.676) 3.924 4.974 ( -4.370 0.178 -2.943) 5.272 5.077 ( 0.577 -2.745 5.514) 6.186 5.145 ( -3.752 1.019 -1.531) 4.179 5.450 ( -2.738 1.460 -0.790) 3.202 5.643 ( 10.471 2.872 4.102) 11.607 5.725 ( 3.183 3.858 0.051) 5.002 5.813 ( -0.348 -6.899 -3.212) 7.618 5.993 ( 6.594 1.034 6.261) 9.151 6.125 ( -6.901 3.248 -3.644) 8.453 6.281 ( 1.256 -4.954 -1.889) 5.449 6.468 ( -0.882 7.123 4.463) 8.452 6.590 ( 6.020 1.332 0.538) 6.189 7.849 ( -3.625 1.642 -1.812) 4.373 7.923 ( 2.001 7.293 1.269) 7.669 8.210 ( -5.676 5.057 -2.613) 8.039 8.604 ( 1.781 -2.748 -1.334) 3.536 8.872 ( -0.973 -2.438 2.508) 3.630 9.073 ( -4.372 -0.726 -0.532) 4.463 9.199 ( -0.093 -2.920 3.228) 4.354 9.442 ( 2.994 -3.727 -2.569) 5.427 9.489 ( 5.223 0.911 4.567) 6.998 9.567 ( 3.575 -2.197 -3.026) 5.173 9.805 ( -3.633 2.909 -1.721) 4.962 10.008 ( 5.291 2.784 -3.200) 6.781 10.238 ( 0.124 3.752 1.959) 4.235 10.292 ( 0.675 8.337 -2.926) 8.861 10.565 ( 1.694 1.140 6.802) 7.102 10.807 ( 5.914 7.507 -3.804) 10.286 11.047 ( -2.203 3.162 5.528) 6.738 11.302 ( -2.250 -4.493 1.811) 5.341 11.436 ( 1.799 -2.730 -3.684) 4.925 11.592 ( 6.812 -0.713 -0.279) 6.855 11.718 ( 3.610 10.576 -7.096) 13.238 11.772 ( 8.737 2.823 3.537) 9.839 12.131 ( -4.906 3.482 -1.040) 6.105 12.252 ( -5.064 -6.425 -0.877) 8.228 12.466 ( 0.294 -3.552 4.879) 6.042 12.521 ( -2.195 6.883 -1.840) 7.456 12.618 ( -4.011 7.635 -1.931) 8.838 12.878 ( -0.330 -1.263 -0.245) 1.328 13.348 ( -4.607 -1.858 -0.905) 5.049 13.420 ( -0.310 1.217 3.395) 3.620 13.533 ( -0.405 2.723 -2.107) 3.466 13.899 ( 14.032 -4.043 6.807) 16.111 14.295 ( -12.119 -2.656 -11.331) 16.802 14.630 ( 0.655 -2.327 -1.559) 2.876 14.928 ( -1.594 -6.773 3.142) 7.635 15.154 ( -2.073 -9.464 3.584) 10.330 15.262 ( -0.787 -14.198 3.252) 14.587 15.409 ( -1.720 -9.463 -1.487) 9.732 16.098 ( -0.232 -4.298 -7.979) 9.066 16.282 ( 5.902 4.549 3.883) 8.403 16.479 ( -2.083 0.004 -1.639) 2.651 16.512 ( -1.247 4.047 3.990) 5.818 17.021 ( -1.858 -4.693 -2.471) 5.620 17.157 ( -0.154 -5.126 1.007) 5.226 17.419 ( -0.403 -4.848 -1.376) 5.055 17.569 ( 1.947 0.244 1.774) 2.645 20.062 ( -1.070 -7.136 -5.814) 9.266 20.125 ( -1.584 1.221 -0.709) 2.122 20.717 ( -2.118 10.680 2.724) 11.223 20.837 ( 2.094 8.306 -2.560) 8.940 22.266 ( -1.961 -12.404 5.415) 13.675 22.547 ( 4.395 -9.575 -3.560) 11.120 23.097 ( -2.762 9.053 5.954) 11.182 23.328 ( 3.550 7.082 -2.919) 8.442 27.392 ( -1.651 -19.433 -3.718) 19.854 27.467 ( -2.130 -22.880 6.128) 23.782 28.901 ( -3.051 21.406 -1.270) 21.660 29.316 ( 8.568 13.681 -2.131) 16.282 30.744 ( -5.862 -12.026 -3.500) 13.829 30.855 ( -3.060 -6.389 1.195) 7.184 30.895 ( -4.915 -7.844 2.035) 9.477 31.402 ( -3.495 -2.921 -3.796) 5.930 31.618 ( -3.665 -5.423 4.901) 8.177 31.761 ( 2.692 10.160 0.108) 10.511 31.834 ( 3.133 13.058 -2.808) 13.720 32.570 ( 15.418 -4.011 -7.658) 17.677 33.045 ( 2.458 -10.910 -4.347) 11.999 33.334 ( 13.499 2.303 -14.437) 19.898 33.523 ( -5.029 4.627 4.932) 8.428 33.741 ( 5.281 5.148 -3.942) 8.363 35.430 ( -1.924 -2.397 0.966) 3.222 35.506 ( 0.410 -1.210 -0.412) 1.342 35.795 ( -3.721 -3.076 7.626) 9.026 36.003 ( 2.854 -2.900 -3.975) 5.688 36.362 ( -6.383 0.625 1.294) 6.543 36.531 ( -3.107 -3.642 -0.922) 4.875 37.191 ( -18.124 0.431 18.471) 25.882 38.532 ( 12.562 18.201 -3.647) 22.413 ======================= Grid point 145 (69/114) ======================= q-point: ( 0.50 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 3.491 3.653 -4.569) 6.812 2.106 ( -11.115 -10.545 -5.160) 16.167 2.291 ( 2.137 5.646 -3.492) 6.974 2.547 ( -4.583 -2.438 2.722) 5.862 2.611 ( -2.359 -0.168 4.324) 4.928 2.755 ( 0.871 -3.457 -6.944) 7.806 3.004 ( 6.865 -9.444 -2.165) 11.874 3.168 ( 5.469 3.239 -7.121) 9.545 3.343 ( 8.318 -3.025 -2.680) 9.248 3.560 ( 4.819 -2.793 -2.858) 6.260 3.633 ( 6.260 -0.915 -0.810) 6.378 3.700 ( -3.646 0.846 0.762) 3.819 3.789 ( -0.293 -10.132 1.727) 10.282 3.901 ( 6.503 -0.786 6.649) 9.334 4.236 ( -7.723 1.177 -2.735) 8.277 4.336 ( 0.683 -1.366 7.005) 7.169 4.554 ( -4.727 -0.135 4.146) 6.290 4.748 ( 1.629 1.352 -5.804) 6.178 4.875 ( -2.694 3.485 -2.998) 5.329 5.099 ( 1.525 1.492 -1.262) 2.479 5.181 ( -0.289 -4.095 5.477) 6.845 5.330 ( -9.017 3.687 -1.257) 9.822 5.607 ( -2.901 3.340 -1.930) 4.826 5.699 ( 4.126 4.265 0.883) 5.999 5.875 ( -1.649 4.246 0.949) 4.653 5.924 ( 0.694 -3.875 0.127) 3.939 6.118 ( -0.248 0.723 2.490) 2.604 6.375 ( -0.245 0.724 6.959) 7.001 6.457 ( 3.595 -5.339 -3.559) 7.354 6.619 ( 4.712 -0.029 -1.158) 4.853 7.769 ( 0.201 2.763 0.371) 2.795 7.865 ( 1.021 1.811 1.412) 2.513 8.067 ( -6.512 2.900 -1.956) 7.392 8.597 ( -1.049 0.804 -7.834) 7.945 9.006 ( 3.606 -6.141 5.805) 9.187 9.030 ( -3.866 -0.626 0.273) 3.926 9.330 ( 3.251 -3.534 4.414) 6.523 9.475 ( -2.111 0.418 2.791) 3.524 9.500 ( -1.376 4.152 -1.235) 4.545 9.534 ( 0.787 2.826 -2.614) 3.929 9.764 ( -0.567 -5.381 -3.399) 6.390 9.964 ( 6.136 4.784 0.525) 7.798 10.123 ( -0.504 7.913 -4.332) 9.035 10.271 ( 4.051 -2.129 5.736) 7.338 10.525 ( -3.072 5.195 0.806) 6.089 10.678 ( 3.573 7.670 -6.388) 10.602 11.006 ( -3.726 1.784 5.285) 6.708 11.359 ( -3.254 -2.355 1.341) 4.235 11.452 ( 0.314 1.322 -3.919) 4.148 11.480 ( 4.312 4.804 -6.262) 8.993 11.670 ( 5.029 4.678 2.855) 7.438 11.874 ( 6.948 -2.570 2.658) 7.870 12.052 ( -3.488 -2.045 -1.939) 4.484 12.309 ( -4.116 4.895 -0.518) 6.416 12.439 ( -3.280 -8.346 -1.115) 9.037 12.471 ( -1.874 1.284 -0.968) 2.470 12.616 ( 4.218 -2.864 5.928) 7.819 12.873 ( 0.822 3.274 -0.582) 3.425 13.321 ( -3.536 2.902 0.537) 4.606 13.401 ( 1.397 -1.209 0.491) 1.912 13.550 ( -1.945 -5.652 0.663) 6.014 13.939 ( 2.663 8.456 0.398) 8.874 14.299 ( 2.076 -4.526 -4.727) 6.866 14.612 ( -3.461 -0.401 -0.341) 3.500 15.080 ( 1.975 -7.707 2.659) 8.389 15.294 ( -3.231 -3.338 4.004) 6.133 15.403 ( 0.107 -2.771 -0.080) 2.774 15.570 ( 0.783 -7.895 2.194) 8.231 16.098 ( -3.766 -2.004 -7.227) 8.392 16.266 ( 4.087 6.689 5.719) 9.703 16.372 ( -1.982 1.049 -0.519) 2.302 16.639 ( 1.389 -9.566 -0.313) 9.671 17.071 ( 0.008 -2.736 -1.351) 3.051 17.248 ( -0.388 -4.637 1.316) 4.836 17.441 ( -1.301 0.834 -1.909) 2.456 17.586 ( 0.564 -0.297 1.754) 1.866 20.104 ( -2.107 -2.529 -2.637) 4.218 20.174 ( 0.875 -7.681 -5.335) 9.393 20.529 ( -1.899 9.350 2.859) 9.960 20.698 ( 2.847 7.667 -2.018) 8.424 22.515 ( -1.283 -12.931 4.590) 13.781 22.725 ( 2.558 -8.201 -3.668) 9.341 22.948 ( -2.970 7.391 5.388) 9.616 23.187 ( 2.535 9.417 -2.701) 10.119 27.727 ( -0.252 -20.860 -2.682) 21.033 27.905 ( -4.187 -23.737 6.938) 25.082 28.481 ( -1.830 22.513 0.055) 22.588 29.091 ( 7.854 15.664 -6.840) 18.811 30.890 ( -2.001 -7.812 2.058) 8.323 30.967 ( -2.880 -7.472 1.059) 8.078 31.064 ( 0.760 -10.622 1.025) 10.698 31.405 ( -1.795 -1.762 -3.209) 4.077 31.564 ( 1.117 10.446 -0.497) 10.517 31.614 ( 1.151 9.094 -2.157) 9.417 31.749 ( -3.291 -3.452 6.871) 8.364 32.631 ( 14.390 4.370 -14.763) 21.074 33.166 ( 1.162 -4.677 -6.471) 8.068 33.358 ( 2.262 -1.429 0.332) 2.696 33.431 ( -4.204 0.922 0.365) 4.320 33.662 ( 4.341 6.237 -0.917) 7.654 35.455 ( -1.349 -1.358 0.987) 2.153 35.532 ( 0.037 -1.202 -0.071) 1.205 35.854 ( -5.477 -1.919 7.949) 9.842 36.025 ( 0.292 -0.143 -0.823) 0.885 36.342 ( -3.678 -1.704 3.336) 5.250 36.570 ( -1.989 -2.909 -0.940) 3.647 37.229 ( -7.556 -6.495 10.746) 14.654 38.248 ( 8.512 17.921 -7.263) 21.127 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.802 ( 4.368 9.080 6.319) 11.894 2.137 ( -3.564 11.870 4.691) 13.252 2.196 ( 6.878 -2.899 -0.792) 7.506 2.588 ( -2.590 -6.383 0.535) 6.909 2.692 ( -4.358 -7.199 1.902) 8.628 2.791 ( -0.565 -3.289 -7.636) 8.333 3.071 ( 4.677 6.071 1.797) 7.871 3.193 ( 8.654 -1.580 -8.480) 12.219 3.321 ( 3.513 8.945 2.897) 10.037 3.517 ( 5.808 7.154 -0.954) 9.264 3.614 ( -4.669 -2.261 -1.302) 5.349 3.729 ( -1.972 4.192 -2.883) 5.456 3.916 ( 1.187 -0.209 -0.771) 1.431 3.938 ( -1.369 -0.427 0.966) 1.730 4.108 ( -9.911 1.520 -2.570) 10.351 4.432 ( 4.252 -1.477 7.305) 8.580 4.547 ( -1.715 -1.211 2.652) 3.383 4.738 ( 3.124 -4.531 -4.173) 6.907 4.861 ( 2.092 -2.772 -2.941) 4.551 5.070 ( -4.699 -0.283 -4.092) 6.238 5.169 ( -6.473 -1.075 -2.282) 6.947 5.376 ( 8.312 -4.511 6.800) 11.648 5.521 ( -6.246 -0.613 -5.606) 8.415 5.645 ( -1.543 1.607 1.771) 2.846 5.855 ( 0.359 0.601 1.218) 1.405 5.988 ( 2.150 -0.704 5.005) 5.493 6.102 ( -1.078 1.955 2.733) 3.529 6.396 ( -1.389 0.582 4.875) 5.103 6.498 ( 2.037 -0.117 -6.269) 6.593 6.642 ( 1.094 -0.573 -4.996) 5.147 7.766 ( 3.152 0.235 2.836) 4.246 7.872 ( 0.366 -0.541 -0.182) 0.678 8.047 ( 2.484 -2.364 4.252) 5.463 8.522 ( -1.562 0.810 -5.948) 6.203 9.023 ( -5.049 0.394 -0.183) 5.068 9.098 ( -1.365 -0.878 0.313) 1.653 9.330 ( -6.515 1.902 1.708) 6.999 9.376 ( -0.038 2.034 -3.719) 4.239 9.470 ( 2.455 1.989 4.862) 5.799 9.573 ( 1.707 -4.312 -0.401) 4.655 9.872 ( -0.331 6.896 -1.783) 7.131 9.912 ( 6.296 -4.183 0.235) 7.563 10.050 ( 2.974 -1.537 -0.581) 3.398 10.367 ( -1.149 3.758 3.852) 5.503 10.388 ( -2.636 0.729 -0.417) 2.766 10.561 ( 2.880 1.616 -4.164) 5.315 10.991 ( -5.061 -0.606 5.826) 7.741 11.322 ( 0.525 2.025 -4.948) 5.372 11.408 ( -2.890 0.529 1.511) 3.304 11.454 ( -2.388 0.265 -0.719) 2.508 11.624 ( 5.097 5.572 0.651) 7.579 11.894 ( -0.041 2.585 -1.114) 2.815 12.155 ( 1.405 -3.414 -0.151) 3.695 12.204 ( 1.826 -0.886 2.080) 2.906 12.441 ( -1.240 -3.328 -1.491) 3.852 12.628 ( -0.861 -7.061 -1.279) 7.228 12.691 ( -1.379 -4.002 -0.585) 4.274 12.742 ( -0.450 9.305 -1.429) 9.425 13.262 ( -3.325 0.800 2.510) 4.242 13.461 ( 3.215 -2.231 -1.680) 4.259 13.679 ( 2.860 -3.276 3.781) 5.763 13.789 ( -0.333 4.486 -0.263) 4.506 14.282 ( 1.010 5.276 0.482) 5.394 14.648 ( 0.419 -3.177 0.286) 3.218 15.222 ( -1.512 7.031 2.193) 7.518 15.260 ( 3.382 -7.936 0.443) 8.638 15.454 ( -3.084 -3.564 -2.451) 5.312 15.658 ( -2.452 0.196 -0.532) 2.516 16.053 ( 0.374 0.380 0.641) 0.833 16.242 ( 2.727 0.171 1.563) 3.148 16.336 ( -2.452 5.058 4.456) 7.173 16.802 ( 1.632 -8.807 -8.778) 12.542 17.109 ( 2.640 -1.046 -0.514) 2.886 17.323 ( -0.101 -1.896 0.877) 2.091 17.377 ( -1.782 2.370 0.352) 2.986 17.594 ( -0.410 0.878 1.197) 1.541 20.148 ( 0.611 -4.097 -2.596) 4.889 20.207 ( 1.037 5.195 0.245) 5.303 20.474 ( 0.011 -5.450 -1.309) 5.605 20.596 ( 1.392 3.916 -0.852) 4.242 22.672 ( -3.110 5.799 3.772) 7.585 22.755 ( -1.878 -5.246 1.543) 5.782 22.955 ( 2.195 -1.470 -3.144) 4.107 23.041 ( 0.878 1.261 -1.076) 1.876 28.058 ( 1.504 22.048 2.464) 22.236 28.097 ( 2.153 -20.066 -0.772) 20.196 28.326 ( -6.916 -20.913 3.702) 22.335 28.809 ( 4.461 14.383 -12.295) 19.440 30.998 ( 0.995 -0.711 4.719) 4.874 31.077 ( -1.886 -6.096 1.498) 6.555 31.201 ( 2.747 -0.420 -1.757) 3.288 31.374 ( 0.728 4.263 -1.571) 4.601 31.444 ( 2.411 0.748 0.719) 2.625 31.528 ( 4.664 0.049 -0.360) 4.678 31.804 ( -8.777 -2.282 8.474) 12.411 32.478 ( 8.380 10.975 -17.707) 22.455 33.167 ( -1.312 3.531 0.585) 3.812 33.346 ( -0.076 1.695 4.938) 5.222 33.473 ( -1.021 -3.400 -5.129) 6.238 33.611 ( 2.607 -0.461 -0.699) 2.738 35.470 ( -0.675 -0.199 1.675) 1.817 35.540 ( -0.067 0.365 0.087) 0.381 35.850 ( -6.447 1.571 6.746) 9.463 36.033 ( 0.466 -0.902 0.397) 1.090 36.394 ( -2.175 -3.410 5.030) 6.455 36.581 ( -1.976 -0.039 1.144) 2.284 37.410 ( -0.993 -12.310 3.008) 12.711 37.986 ( 4.103 11.087 -7.714) 14.116 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 11.005 14.065 12.719) 21.924 1.959 ( -1.505 9.226 18.885) 21.072 2.316 ( 3.265 -1.828 4.278) 5.683 2.579 ( -12.855 3.766 -6.386) 14.840 2.703 ( 9.882 5.344 0.815) 11.264 2.835 ( 6.647 5.363 1.382) 8.652 2.931 ( -1.207 11.761 6.822) 13.650 3.102 ( 7.261 17.536 -3.474) 19.295 3.214 ( 5.796 0.143 -4.553) 7.372 3.445 ( -3.568 -1.181 -8.927) 9.686 3.522 ( -6.164 -0.645 1.138) 6.301 3.642 ( -2.770 3.221 -4.798) 6.409 3.796 ( -4.509 0.074 -3.469) 5.690 4.020 ( 6.446 -1.152 0.039) 6.548 4.088 ( -5.182 -4.624 0.930) 7.007 4.474 ( -2.172 -0.013 -0.525) 2.235 4.637 ( 2.502 -6.058 1.985) 6.848 4.852 ( -1.830 -7.964 -3.198) 8.775 4.928 ( 2.609 -2.456 0.080) 3.584 5.039 ( -10.102 -4.361 -2.218) 11.225 5.200 ( 7.516 -2.736 -0.615) 8.022 5.446 ( -3.607 0.727 -4.316) 5.672 5.515 ( 4.053 -0.492 3.207) 5.192 5.694 ( -0.034 -5.590 1.126) 5.702 5.816 ( 1.470 4.759 -0.413) 4.998 5.981 ( -8.703 4.272 3.417) 10.279 6.114 ( 5.438 -0.185 7.747) 9.467 6.389 ( 0.909 0.334 -1.041) 1.422 6.458 ( -1.879 0.182 -5.170) 5.504 6.586 ( -2.414 1.359 -7.329) 7.835 7.842 ( 1.029 -3.867 -1.325) 4.215 7.885 ( 5.508 1.072 6.025) 8.233 8.164 ( 2.843 -3.574 2.767) 5.339 8.502 ( -1.465 -1.861 -0.718) 2.474 8.924 ( -2.049 2.854 -0.146) 3.516 9.113 ( 1.344 0.197 2.302) 2.673 9.279 ( -8.379 -0.758 -1.284) 8.511 9.329 ( -0.806 1.477 -1.819) 2.478 9.490 ( -0.633 -0.102 1.499) 1.631 9.568 ( -0.941 5.576 -4.083) 6.975 9.802 ( 4.010 -0.024 4.897) 6.329 9.974 ( 2.458 1.746 -3.982) 4.994 10.121 ( 1.332 -5.856 -1.784) 6.265 10.250 ( -4.615 2.077 0.015) 5.061 10.455 ( 1.758 -3.860 6.723) 7.949 10.619 ( 0.939 -4.687 -2.422) 5.358 11.034 ( -4.311 -4.687 6.417) 9.041 11.286 ( 1.306 0.365 -4.048) 4.269 11.364 ( -1.743 1.983 1.973) 3.296 11.448 ( -2.561 -1.184 2.779) 3.960 11.570 ( 2.431 3.216 -0.847) 4.119 11.793 ( -2.896 5.374 -2.980) 6.794 12.179 ( 4.485 -1.755 -0.821) 4.886 12.344 ( 1.920 -4.185 4.563) 6.483 12.487 ( -1.030 5.125 -3.177) 6.117 12.557 ( 2.586 -2.081 0.347) 3.337 12.658 ( -0.897 -0.545 -4.245) 4.373 12.795 ( -5.404 -7.886 -3.849) 10.306 13.279 ( -2.588 -3.253 4.335) 6.006 13.491 ( 2.221 -0.227 -2.257) 3.175 13.600 ( 2.900 8.093 0.658) 8.622 13.847 ( -2.265 -1.062 -2.070) 3.247 14.253 ( 6.234 0.697 8.776) 10.788 14.675 ( 1.918 2.087 1.251) 3.099 15.083 ( 1.075 8.255 2.107) 8.587 15.354 ( -5.695 2.521 -5.127) 8.067 15.452 ( 0.320 -2.610 -2.248) 3.459 15.602 ( -1.418 -1.520 -4.196) 4.683 16.040 ( 1.622 7.479 6.243) 9.877 16.223 ( -0.394 6.682 4.488) 8.059 16.336 ( 0.462 -8.585 -0.855) 8.640 16.838 ( 0.221 -1.207 -13.442) 13.498 17.130 ( 3.044 1.581 -0.940) 3.556 17.266 ( -1.106 3.718 -1.579) 4.188 17.401 ( 0.806 -0.267 3.907) 3.998 17.559 ( -0.900 2.900 0.562) 3.089 20.092 ( 1.312 7.768 3.798) 8.746 20.195 ( 4.059 0.420 -2.723) 4.906 20.570 ( -1.602 -4.836 1.236) 5.243 20.655 ( 1.467 -10.284 -2.659) 10.723 22.480 ( -5.511 11.421 4.770) 13.548 22.705 ( 3.512 10.889 -4.466) 12.282 22.988 ( -4.698 -7.540 2.580) 9.251 23.171 ( 2.175 -9.243 -4.171) 10.371 27.688 ( 1.330 21.702 3.632) 22.044 28.225 ( -1.707 13.536 -15.082) 20.337 28.613 ( 4.563 -17.627 -0.008) 18.208 28.761 ( -4.636 -17.445 0.016) 18.050 30.945 ( 1.733 7.487 1.735) 7.878 31.113 ( 0.699 6.351 -2.793) 6.973 31.197 ( 6.537 -2.013 4.579) 8.231 31.332 ( 3.604 4.574 5.749) 8.183 31.530 ( -0.260 -8.058 -1.897) 8.282 31.636 ( 6.715 -4.020 -0.138) 7.828 31.793 ( -10.927 -1.105 7.569) 13.338 32.225 ( 5.616 11.636 -14.908) 19.728 33.068 ( 1.633 7.934 4.296) 9.169 33.276 ( -0.545 8.435 1.264) 8.546 33.506 ( -1.283 -3.863 1.032) 4.200 33.695 ( 1.720 -7.055 -6.280) 9.601 35.467 ( -0.523 1.227 2.224) 2.593 35.522 ( 0.275 1.588 0.058) 1.613 35.795 ( -5.270 3.122 6.279) 8.772 36.055 ( 1.155 -0.541 -0.901) 1.562 36.455 ( -2.782 -1.807 3.389) 4.742 36.568 ( -0.231 0.947 2.139) 2.351 37.641 ( -7.409 -12.614 3.806) 15.115 37.880 ( 5.670 -2.349 -7.924) 10.023 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 11.439 16.627 17.661) 26.818 1.975 ( 3.311 15.916 21.362) 26.844 2.146 ( -6.755 19.113 13.184) 24.181 2.229 ( -8.367 9.848 -6.929) 14.663 2.624 ( 13.040 23.695 -6.981) 27.933 2.796 ( 3.046 -1.014 -8.854) 9.418 2.832 ( 7.206 -3.753 7.918) 11.345 2.891 ( -0.316 3.339 3.098) 4.566 3.328 ( 4.272 -6.745 -2.949) 8.512 3.465 ( 3.207 -3.862 -4.719) 6.890 3.501 ( -8.080 -5.479 -5.835) 11.373 3.628 ( 2.778 -3.418 1.107) 4.541 3.811 ( -2.473 -2.907 -1.799) 4.219 4.028 ( 3.146 4.230 -2.986) 6.059 4.138 ( -0.824 -2.574 2.029) 3.380 4.399 ( -8.873 0.783 -6.331) 10.928 4.796 ( 1.476 -6.758 2.827) 7.473 4.936 ( -5.941 -4.981 -2.168) 8.050 4.968 ( -0.990 -0.433 5.495) 5.600 5.035 ( 1.761 -0.703 0.986) 2.137 5.279 ( 4.661 1.772 -0.571) 5.019 5.373 ( -4.760 0.721 -3.801) 6.133 5.558 ( 5.992 3.160 0.209) 6.777 5.666 ( -1.839 11.553 0.522) 11.710 5.770 ( -3.125 -1.632 -3.188) 4.753 5.838 ( -4.054 -0.298 -2.191) 4.618 6.227 ( 4.186 -0.978 10.266) 11.130 6.405 ( 5.302 1.583 -2.304) 5.994 6.436 ( -4.271 -5.413 -3.089) 7.555 6.524 ( -4.459 -2.655 -5.891) 7.851 7.858 ( -3.727 -2.316 -0.608) 4.430 7.983 ( 4.323 -1.117 1.047) 4.586 8.260 ( 3.712 -4.262 4.573) 7.270 8.522 ( -3.322 -2.498 -1.698) 4.490 8.949 ( 3.478 -1.020 4.998) 6.174 9.111 ( -2.162 2.399 3.083) 4.464 9.199 ( 1.728 3.530 -3.956) 5.577 9.277 ( -0.068 2.844 0.837) 2.966 9.425 ( -3.306 1.301 -6.256) 7.195 9.489 ( -0.682 1.533 -1.430) 2.205 9.816 ( 1.443 4.545 6.410) 7.989 10.023 ( 7.254 -4.179 -0.010) 8.372 10.195 ( -5.017 -0.804 0.821) 5.147 10.247 ( -3.492 -8.209 -2.882) 9.375 10.580 ( -1.636 -5.272 4.832) 7.336 10.684 ( 3.216 -3.726 -3.524) 6.054 11.109 ( -8.923 -3.014 4.195) 10.310 11.272 ( 3.502 0.976 0.006) 3.635 11.370 ( 3.716 0.901 1.206) 4.009 11.457 ( 2.362 2.105 -1.639) 3.563 11.577 ( -1.156 -3.776 2.974) 4.944 11.683 ( -1.640 -0.305 -2.569) 3.063 12.224 ( 1.239 1.216 2.631) 3.152 12.418 ( 1.504 -3.403 2.998) 4.778 12.428 ( 2.134 -1.357 -1.067) 2.745 12.595 ( -2.034 -3.342 -4.609) 6.046 12.751 ( 4.827 -5.959 -0.130) 7.669 12.824 ( -5.281 -3.360 -3.962) 7.408 13.358 ( -3.466 -3.588 4.663) 6.829 13.498 ( 1.214 0.116 0.350) 1.269 13.518 ( 4.869 3.242 -0.751) 5.898 13.716 ( -6.008 6.577 -7.075) 11.376 14.407 ( 9.540 -1.498 10.128) 13.995 14.623 ( 0.519 4.646 0.582) 4.711 14.974 ( 0.959 7.168 4.064) 8.295 15.181 ( -3.776 6.029 -4.913) 8.646 15.388 ( -3.556 6.895 -2.693) 8.212 15.558 ( 1.187 8.476 -10.407) 13.474 15.971 ( 3.787 1.686 7.146) 8.261 16.168 ( -1.627 1.894 1.906) 3.141 16.484 ( -1.396 -7.796 -1.358) 8.035 16.727 ( 0.165 4.240 -12.021) 12.748 17.078 ( 2.213 5.328 0.504) 5.791 17.180 ( -0.588 4.510 -2.812) 5.347 17.405 ( 1.942 3.015 3.221) 4.821 17.486 ( -1.405 4.495 0.143) 4.711 20.023 ( 2.975 4.332 5.196) 7.390 20.170 ( 1.401 2.389 -2.340) 3.626 20.708 ( -1.481 -9.650 3.092) 10.241 20.841 ( 1.455 -10.000 -2.553) 10.423 22.261 ( -6.152 10.627 5.099) 13.296 22.500 ( 4.258 11.355 -4.781) 13.036 23.098 ( -5.542 -7.171 3.537) 9.729 23.313 ( 2.368 -7.462 -5.049) 9.316 27.352 ( 0.829 18.911 3.524) 19.255 27.705 ( -4.235 26.447 -16.063) 31.231 29.011 ( 4.437 -18.729 2.633) 19.427 29.067 ( -2.814 -18.138 -0.010) 18.355 30.851 ( 1.558 4.595 0.816) 4.920 30.979 ( -0.341 5.846 -4.035) 7.111 31.260 ( -11.055 4.079 6.802) 13.606 31.347 ( 22.379 3.006 7.762) 23.877 31.601 ( -0.882 -0.187 -2.223) 2.399 31.688 ( -4.376 -0.975 -3.825) 5.893 31.858 ( -3.853 -9.987 2.915) 11.095 32.065 ( 16.464 5.930 -7.276) 18.952 32.972 ( 5.974 8.945 3.629) 11.352 33.101 ( 2.148 10.584 -0.154) 10.801 33.572 ( -2.455 -3.774 1.758) 4.834 33.789 ( 2.019 -6.075 -8.018) 10.260 35.442 ( -0.957 2.315 2.282) 3.389 35.497 ( 0.700 1.326 -0.096) 1.502 35.737 ( -3.667 3.169 5.966) 7.686 36.044 ( 2.032 1.917 -4.688) 5.457 36.448 ( -1.218 1.625 2.958) 3.588 36.571 ( -1.080 -0.115 0.981) 1.464 37.745 ( -29.773 -13.225 8.783) 33.741 38.085 ( 17.790 -11.442 -7.377) 22.402 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 10.490 0.000 -17.411) 20.327 1.888 ( 16.229 0.000 12.733) 20.628 2.150 ( 6.412 0.000 18.959) 20.015 2.216 ( 21.094 0.000 -19.131) 28.477 2.634 ( 2.654 0.000 -1.862) 3.242 2.824 ( 10.387 0.000 -10.632) 14.864 2.975 ( -1.252 -0.000 3.439) 3.659 3.040 ( -14.607 -0.000 -4.814) 15.380 3.209 ( -6.915 -0.000 -6.824) 9.715 3.342 ( -3.834 -0.000 -4.217) 5.700 3.478 ( -5.299 -0.000 -1.008) 5.394 3.601 ( 1.134 0.000 0.849) 1.416 3.749 ( -5.290 -0.000 2.619) 5.903 3.824 ( 1.690 0.000 1.000) 1.964 4.226 ( 6.203 0.000 -0.112) 6.204 4.273 ( -6.477 -0.000 2.501) 6.944 4.547 ( -19.758 -0.000 3.535) 20.072 4.877 ( -0.636 -0.000 0.275) 0.693 4.965 ( 1.815 0.000 -0.836) 1.998 5.061 ( -2.915 -0.000 2.781) 4.029 5.107 ( -0.160 -0.000 -2.128) 2.134 5.458 ( 5.542 0.000 0.508) 5.565 5.642 ( -2.510 -0.000 2.269) 3.384 5.703 ( 14.231 0.000 6.279) 15.555 5.815 ( 6.640 0.000 -3.953) 7.728 5.824 ( 1.652 0.000 2.960) 3.390 6.276 ( -0.988 -0.000 1.600) 1.880 6.303 ( -3.187 -0.000 -5.777) 6.598 6.613 ( 5.830 0.000 4.503) 7.366 6.683 ( 0.234 0.000 1.916) 1.930 7.877 ( 0.323 0.000 1.534) 1.567 8.112 ( 6.769 0.000 5.665) 8.827 8.366 ( -6.106 -0.000 -2.980) 6.794 8.514 ( -5.020 -0.000 -4.072) 6.464 8.834 ( -9.072 -0.000 -1.440) 9.185 8.954 ( 0.675 0.000 3.582) 3.645 9.296 ( 1.511 0.000 -2.102) 2.588 9.391 ( 7.765 0.000 -5.226) 9.360 9.469 ( 2.993 0.000 3.436) 4.556 9.491 ( 7.487 0.000 1.185) 7.581 9.833 ( -3.252 -0.000 1.773) 3.704 10.011 ( 4.335 0.000 -3.595) 5.631 10.367 ( -0.949 -0.000 -0.848) 1.273 10.395 ( -7.410 -0.000 -8.269) 11.104 10.661 ( 10.182 0.000 12.845) 16.391 10.956 ( 6.292 0.000 -4.325) 7.635 11.114 ( -0.761 -0.000 11.045) 11.071 11.170 ( 1.870 0.000 -2.049) 2.774 11.371 ( 1.867 0.000 3.076) 3.598 11.562 ( 5.670 0.000 -0.643) 5.706 11.851 ( 8.201 0.000 2.637) 8.615 12.104 ( -4.053 -0.000 -10.108) 10.890 12.155 ( -10.144 -0.000 -7.022) 12.337 12.183 ( 6.966 0.000 6.087) 9.251 12.442 ( -0.855 -0.000 -1.920) 2.102 12.601 ( -11.858 -0.000 -3.944) 12.497 12.853 ( -1.358 -0.000 0.798) 1.575 12.953 ( 0.510 0.000 -2.089) 2.150 13.356 ( 0.588 0.000 0.035) 0.589 13.430 ( -3.831 -0.000 1.873) 4.264 13.587 ( 4.488 0.000 2.904) 5.346 13.667 ( 8.085 0.000 2.776) 8.548 14.325 ( -15.543 -0.000 -10.304) 18.648 14.447 ( -1.866 -0.000 -1.283) 2.264 14.520 ( -1.438 -0.000 -1.777) 2.286 14.874 ( -1.178 -0.000 5.812) 5.930 14.992 ( 2.080 0.000 -0.808) 2.231 15.215 ( 1.081 0.000 -2.178) 2.432 15.922 ( -1.959 -0.000 -6.835) 7.110 16.465 ( 5.794 0.000 0.473) 5.813 16.588 ( 0.751 0.000 3.416) 3.498 16.660 ( 1.490 0.000 1.739) 2.290 16.923 ( -1.472 -0.000 -0.337) 1.511 16.982 ( -0.957 -0.000 -1.017) 1.396 17.247 ( -0.904 -0.000 -0.594) 1.082 17.569 ( 3.528 0.000 1.893) 4.004 19.923 ( -3.203 -0.000 -5.870) 6.687 20.192 ( -0.722 -0.000 1.583) 1.740 20.976 ( -1.500 -0.000 1.643) 2.225 20.991 ( -0.771 -0.000 -1.644) 1.816 22.011 ( -2.161 -0.000 5.413) 5.828 22.339 ( 4.600 0.000 -2.510) 5.240 23.312 ( -1.251 -0.000 4.015) 4.205 23.461 ( 3.288 0.000 -2.700) 4.255 26.968 ( -0.204 -0.000 0.104) 0.229 26.973 ( -0.098 -0.000 -0.073) 0.122 29.409 ( -0.574 -0.000 -0.995) 1.149 29.581 ( 5.685 0.000 -0.646) 5.722 30.374 ( -12.327 -0.000 -5.080) 13.333 30.748 ( -3.007 -0.000 0.112) 3.009 30.770 ( -3.372 -0.000 3.256) 4.688 31.323 ( -3.440 -0.000 -4.301) 5.507 31.489 ( -2.423 -0.000 2.551) 3.519 32.029 ( 2.681 0.000 -1.112) 2.902 32.209 ( 1.709 0.000 -0.368) 1.748 32.374 ( 10.120 0.000 -4.489) 11.071 32.719 ( 3.249 0.000 -1.698) 3.666 33.431 ( 28.668 0.000 -31.764) 42.788 33.617 ( -5.293 -0.000 7.020) 8.792 33.840 ( 7.167 0.000 -6.737) 9.836 35.363 ( -2.164 -0.000 1.916) 2.891 35.499 ( 1.314 0.000 -2.022) 2.412 35.731 ( -2.432 -0.000 5.788) 6.278 35.886 ( 3.915 0.000 -5.077) 6.411 36.371 ( -5.081 -0.000 -3.229) 6.020 36.476 ( -8.556 -0.000 4.146) 9.507 37.254 ( -24.718 -0.000 25.782) 35.717 38.926 ( 11.791 0.000 1.955) 11.952 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( 11.629 -9.849 -12.506) 19.714 2.012 ( 0.958 2.573 3.974) 4.830 2.268 ( 7.993 -2.280 -3.967) 9.210 2.349 ( 3.707 -5.313 -1.226) 6.593 2.649 ( 9.020 -4.215 2.592) 10.288 2.723 ( -2.234 4.331 -4.258) 6.472 2.868 ( -0.627 2.964 -12.757) 13.112 3.059 ( 9.787 0.425 -3.572) 10.427 3.189 ( -4.648 -6.391 -1.116) 7.981 3.329 ( -0.488 -4.240 -6.738) 7.976 3.521 ( -5.080 -7.445 1.858) 9.203 3.624 ( 2.495 0.240 3.527) 4.327 3.716 ( -3.977 0.464 1.419) 4.248 3.864 ( 1.703 -1.536 0.671) 2.390 4.196 ( -10.484 -1.086 0.138) 10.541 4.312 ( 4.559 -1.685 3.454) 5.962 4.488 ( -10.584 -2.557 5.967) 12.416 4.842 ( 0.405 3.439 -0.484) 3.497 4.951 ( -1.137 2.087 -1.175) 2.651 5.064 ( -1.917 -0.669 4.520) 4.955 5.129 ( 0.179 -2.179 0.998) 2.403 5.459 ( -3.254 2.571 -3.055) 5.151 5.618 ( -5.166 -6.258 -3.508) 8.841 5.800 ( 7.312 2.180 3.849) 8.546 5.842 ( 9.263 2.436 -1.706) 9.729 5.991 ( 7.370 -7.815 5.114) 11.897 6.198 ( -0.971 7.314 -2.491) 7.787 6.257 ( -0.562 1.791 2.080) 2.802 6.619 ( 0.137 6.364 3.035) 7.052 6.666 ( 3.264 1.653 2.191) 4.265 7.852 ( -0.679 2.332 -2.962) 3.830 8.114 ( 4.160 7.758 4.195) 9.751 8.255 ( -6.442 5.069 -1.277) 8.296 8.488 ( -5.230 -4.867 -7.411) 10.294 8.820 ( -1.630 -2.922 4.999) 6.016 9.022 ( -0.419 -3.518 4.265) 5.544 9.231 ( 0.135 4.585 0.989) 4.693 9.416 ( 4.192 -0.740 -3.618) 5.586 9.529 ( 2.069 -1.609 -3.884) 4.686 9.557 ( 5.363 -1.314 4.403) 7.062 9.825 ( -1.984 1.171 0.546) 2.368 10.021 ( 3.055 -0.503 -5.826) 6.597 10.269 ( -3.494 1.826 -5.081) 6.431 10.363 ( -0.725 0.340 -3.756) 3.841 10.708 ( 3.022 6.654 9.544) 12.021 10.945 ( 5.980 4.386 -4.546) 8.698 11.129 ( -2.520 3.379 6.179) 7.480 11.217 ( -1.070 -4.127 0.625) 4.308 11.403 ( 1.236 -1.098 0.519) 1.734 11.614 ( 5.987 -1.602 1.830) 6.462 11.861 ( -3.588 10.275 -12.665) 16.699 11.941 ( 12.732 3.200 6.472) 14.637 12.109 ( -8.192 -3.224 -1.665) 8.960 12.235 ( 4.694 7.299 -1.180) 8.758 12.412 ( 2.010 -4.436 3.669) 6.098 12.542 ( -6.234 -0.603 -0.954) 6.336 12.764 ( -1.620 12.418 -4.287) 13.237 12.845 ( -2.689 0.187 0.923) 2.849 13.315 ( -2.656 2.194 0.009) 3.445 13.430 ( -0.383 -0.447 4.267) 4.308 13.617 ( 1.727 3.217 -1.990) 4.159 13.851 ( 3.896 -12.673 1.302) 13.322 14.199 ( -1.001 3.712 -1.289) 4.055 14.534 ( 0.039 -7.067 -0.587) 7.092 14.696 ( -1.036 -18.723 1.374) 18.802 14.994 ( -2.060 -10.729 4.689) 11.889 15.053 ( 1.970 -4.949 1.858) 5.642 15.245 ( -0.673 -5.091 -1.911) 5.479 15.928 ( -1.763 -6.692 -9.767) 11.970 16.429 ( 2.363 4.956 -1.666) 5.738 16.540 ( 1.114 6.414 4.809) 8.094 16.640 ( 0.332 6.630 2.830) 7.217 16.923 ( -0.258 -3.412 -0.626) 3.479 17.055 ( -0.550 -6.058 0.324) 6.091 17.308 ( 0.288 -6.019 -0.633) 6.059 17.593 ( 0.940 0.163 0.635) 1.146 19.909 ( -1.531 -4.470 -6.223) 7.813 20.143 ( -3.668 2.958 -2.137) 5.174 20.881 ( -2.118 7.703 1.603) 8.149 20.952 ( 0.510 4.375 -2.195) 4.921 22.099 ( -1.469 -7.650 5.842) 9.737 22.418 ( 3.755 -6.254 -2.595) 7.742 23.257 ( -2.113 6.793 4.612) 8.478 23.435 ( 2.899 3.787 -3.036) 5.654 27.085 ( 0.085 -12.110 -0.915) 12.144 27.116 ( -1.675 -15.614 2.204) 15.858 29.223 ( -1.205 16.520 -1.319) 16.617 29.547 ( 4.898 7.608 -2.741) 9.455 30.445 ( -1.232 -13.588 -1.225) 13.699 30.761 ( -2.175 -3.086 1.996) 4.271 30.791 ( -2.954 -3.110 3.672) 5.646 31.309 ( -1.852 -2.941 -2.986) 4.582 31.516 ( -3.967 -3.960 2.429) 6.109 31.947 ( 1.562 8.390 -0.984) 8.591 32.076 ( 2.552 12.007 -2.921) 12.618 32.510 ( 8.171 -7.502 -5.014) 12.174 32.849 ( 3.601 -10.183 -3.130) 11.245 33.394 ( 16.954 3.833 -29.876) 34.565 33.591 ( -5.536 2.848 7.936) 10.087 33.840 ( 9.086 2.962 -6.672) 11.655 35.379 ( -1.652 -2.083 1.669) 3.139 35.495 ( 0.822 -0.054 -1.308) 1.546 35.759 ( -3.909 -1.938 6.404) 7.749 35.936 ( 4.322 -4.170 -4.820) 7.700 36.322 ( -4.366 -0.128 -1.603) 4.653 36.431 ( -8.806 -1.854 1.207) 9.080 37.229 ( -15.061 2.616 28.197) 32.074 38.880 ( 6.572 12.610 -2.173) 14.385 ======================= Grid point 153 (75/114) ======================= q-point: ( 0.50 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -5.093 -5.136 -1.322) 7.353 1.933 ( 0.285 -0.625 -7.604) 7.635 2.302 ( 2.893 -0.939 -12.670) 13.030 2.423 ( -5.654 -2.687 -2.943) 6.917 2.702 ( 2.033 0.278 -1.447) 2.511 2.795 ( 7.167 0.005 1.764) 7.381 2.850 ( 7.178 -5.254 -1.959) 9.108 3.202 ( 4.949 -16.217 -1.808) 17.052 3.231 ( 6.141 2.036 -4.406) 7.827 3.462 ( 6.947 -5.528 -2.904) 9.341 3.577 ( -7.495 -5.187 2.573) 9.471 3.697 ( 3.887 -1.391 1.845) 4.522 3.713 ( -0.104 -3.759 -0.529) 3.797 3.915 ( 2.544 -2.294 0.990) 3.566 4.155 ( -10.607 -1.910 1.384) 10.866 4.391 ( 4.316 -0.072 7.297) 8.478 4.516 ( -3.069 -3.168 3.735) 5.780 4.772 ( 0.766 3.461 -2.780) 4.505 4.850 ( -9.308 2.548 -3.689) 10.331 5.085 ( -1.855 -1.625 2.645) 3.616 5.205 ( 2.805 -0.371 5.179) 5.901 5.330 ( -6.382 2.936 -1.456) 7.174 5.679 ( -1.080 2.801 -3.227) 4.408 5.789 ( 3.907 2.411 -3.087) 5.533 5.838 ( 2.380 -0.166 -0.247) 2.398 5.987 ( -3.985 8.036 -0.005) 8.969 6.171 ( 5.154 1.114 5.038) 7.292 6.312 ( 2.782 -7.391 -1.766) 8.092 6.498 ( -2.192 6.994 6.027) 9.489 6.676 ( 3.933 1.643 0.181) 4.266 7.791 ( 0.433 1.691 -2.971) 3.446 8.012 ( 3.787 8.360 4.871) 10.390 8.106 ( -2.874 5.411 0.471) 6.144 8.469 ( -7.571 -4.305 -11.838) 14.696 8.934 ( -0.069 -5.576 4.754) 7.327 9.031 ( -1.034 2.660 1.529) 3.238 9.290 ( 2.033 -5.160 7.333) 9.194 9.436 ( -1.148 -1.718 -1.427) 2.511 9.509 ( -1.031 0.389 -6.732) 6.821 9.622 ( 1.813 2.419 3.203) 4.404 9.767 ( 4.954 3.097 0.929) 5.916 10.005 ( -0.064 -0.843 -7.038) 7.089 10.193 ( -1.750 3.254 -3.795) 5.297 10.345 ( 3.878 1.289 2.472) 4.776 10.614 ( -3.331 7.104 2.475) 8.227 10.832 ( 4.188 8.893 -6.444) 11.754 11.057 ( -3.676 3.840 3.877) 6.580 11.271 ( -4.655 -4.133 0.539) 6.248 11.426 ( 0.209 -0.872 -2.368) 2.532 11.585 ( -0.362 9.202 -11.924) 15.066 11.734 ( 5.225 -3.406 3.683) 7.243 11.996 ( 10.874 4.591 6.596) 13.522 12.081 ( -0.917 4.323 -3.829) 5.848 12.171 ( -2.516 -5.128 1.535) 5.915 12.419 ( -4.116 2.500 -0.138) 4.817 12.531 ( -3.260 9.312 -2.193) 10.107 12.655 ( 8.383 -3.741 8.040) 12.203 12.845 ( -2.319 -2.473 0.056) 3.391 13.279 ( -3.433 -0.731 0.600) 3.561 13.489 ( -0.884 0.229 -0.617) 1.102 13.508 ( 3.487 3.742 4.024) 6.508 14.031 ( -8.030 -4.286 -6.383) 11.118 14.200 ( 13.613 -2.100 5.710) 14.911 14.595 ( -1.036 0.529 -3.723) 3.900 14.965 ( 0.157 -10.075 4.651) 11.098 15.178 ( -0.919 -6.029 3.438) 7.001 15.289 ( -0.312 -14.866 4.673) 15.586 15.398 ( 0.726 -11.575 2.024) 11.773 15.974 ( -2.193 -5.095 -9.056) 10.620 16.368 ( -0.151 1.198 -5.304) 5.440 16.458 ( 3.073 7.101 5.091) 9.262 16.546 ( -1.646 1.513 3.891) 4.488 17.007 ( 1.368 -4.344 0.324) 4.565 17.153 ( -1.073 -5.559 0.313) 5.670 17.401 ( 0.267 -3.527 -1.203) 3.736 17.591 ( -0.644 0.027 0.156) 0.664 19.986 ( 0.546 -8.192 -6.342) 10.374 20.049 ( -4.013 0.628 -4.312) 5.924 20.713 ( -2.229 10.030 2.632) 10.607 20.839 ( 1.902 7.168 -2.718) 7.899 22.305 ( -1.089 -12.082 5.680) 13.395 22.568 ( 2.819 -8.869 -2.963) 9.767 23.114 ( -3.420 9.303 5.243) 11.213 23.338 ( 2.306 7.118 -3.573) 8.291 27.368 ( 2.029 -18.700 -0.946) 18.834 27.469 ( -5.349 -23.170 4.328) 24.170 28.873 ( 0.736 21.141 0.339) 21.156 29.354 ( 2.362 13.832 -7.059) 15.708 30.724 ( 4.115 -12.772 2.809) 13.709 30.847 ( -0.799 -5.949 3.901) 7.158 30.891 ( -1.018 -8.459 3.774) 9.318 31.352 ( 0.426 -3.065 -0.861) 3.212 31.570 ( -6.051 -4.009 1.329) 7.379 31.798 ( 1.525 8.361 0.994) 8.557 31.855 ( 3.396 12.288 -3.219) 13.148 32.646 ( 8.338 -3.867 -11.915) 15.048 33.026 ( 3.465 -8.462 -7.283) 11.690 33.278 ( 3.423 0.497 -17.321) 17.663 33.525 ( -4.638 4.968 8.374) 10.785 33.798 ( 7.574 5.369 -4.761) 10.434 35.418 ( -1.026 -2.266 1.347) 2.829 35.507 ( 0.279 -1.260 -0.477) 1.376 35.807 ( -5.846 -2.998 7.417) 9.908 36.001 ( 1.348 -2.115 -2.759) 3.728 36.300 ( -2.633 -1.225 0.754) 3.000 36.451 ( -2.918 -6.041 -2.942) 7.326 37.241 ( -8.312 2.583 25.355) 26.808 38.596 ( 3.953 18.953 -8.272) 21.054 ======================= Grid point 154 (76/114) ======================= q-point: (-0.38 -0.75 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.880 ( -3.385 -7.984 -1.351) 8.776 2.056 ( 5.506 -11.206 -3.623) 13.001 2.255 ( 4.346 1.109 -6.401) 7.816 2.408 ( -7.604 -6.625 -7.536) 12.590 2.641 ( 0.678 7.073 4.481) 8.400 2.740 ( -1.710 0.241 1.063) 2.028 3.150 ( 8.222 -6.525 2.271) 10.739 3.209 ( 11.327 1.409 -3.778) 12.024 3.476 ( -1.204 -5.565 3.035) 6.452 3.484 ( 0.517 0.847 -1.464) 1.768 3.635 ( -2.741 -5.473 -2.843) 6.749 3.739 ( 7.877 4.968 -0.042) 9.312 3.836 ( -0.489 -8.259 -0.475) 8.287 3.948 ( -0.497 0.256 -4.156) 4.193 4.096 ( -5.291 2.469 2.860) 6.501 4.459 ( -0.414 -0.564 4.327) 4.384 4.560 ( -3.511 0.408 2.720) 4.460 4.682 ( -2.096 -0.131 -3.656) 4.216 4.789 ( 1.137 -2.170 -0.689) 2.545 5.079 ( -3.216 6.873 -3.643) 8.417 5.152 ( 1.658 -0.958 3.055) 3.606 5.366 ( -0.041 -3.927 5.931) 7.113 5.508 ( -2.700 6.513 -3.629) 7.930 5.689 ( -1.778 5.080 -1.379) 5.556 5.866 ( 0.953 0.730 -0.841) 1.466 5.964 ( -0.126 -4.737 3.421) 5.845 6.154 ( -0.019 4.190 0.799) 4.265 6.423 ( 0.818 -4.493 -6.975) 8.337 6.443 ( -2.353 2.255 7.584) 8.255 6.662 ( 2.211 2.454 -1.093) 3.479 7.766 ( 0.678 -0.218 -1.555) 1.711 7.956 ( 4.196 4.331 5.045) 7.862 8.082 ( 5.099 0.021 4.203) 6.608 8.420 ( -6.184 -3.757 -8.989) 11.539 8.997 ( -1.950 1.080 0.085) 2.231 9.021 ( -3.621 -4.369 0.274) 5.681 9.342 ( -4.562 2.146 0.523) 5.069 9.381 ( -1.760 2.479 -5.488) 6.274 9.508 ( 0.854 -3.210 1.677) 3.721 9.570 ( -0.367 4.263 0.695) 4.334 9.839 ( 8.773 -0.769 -0.345) 8.813 10.001 ( -1.744 -2.833 -3.570) 4.879 10.106 ( 4.909 5.523 4.355) 8.577 10.393 ( 0.915 -0.835 3.934) 4.124 10.455 ( -3.721 6.351 0.083) 7.362 10.648 ( 2.215 8.800 -7.384) 11.699 10.995 ( -4.789 2.028 4.603) 6.946 11.286 ( -4.357 -1.807 -4.610) 6.595 11.386 ( -2.515 0.190 -1.896) 3.155 11.457 ( 1.366 2.278 -3.972) 4.778 11.783 ( 5.937 5.044 2.524) 8.189 11.968 ( -1.429 5.055 -2.061) 5.642 12.101 ( 9.325 -4.228 6.047) 11.892 12.263 ( -3.301 -2.202 0.849) 4.058 12.367 ( -2.987 1.091 -1.544) 3.535 12.412 ( -1.564 -4.414 -1.587) 4.945 12.707 ( 0.528 3.003 1.618) 3.451 12.861 ( -0.961 3.011 -0.485) 3.198 13.260 ( -3.590 0.836 1.429) 3.953 13.432 ( 2.257 -1.314 -2.426) 3.564 13.663 ( 8.025 -5.557 9.200) 13.414 13.926 ( -1.479 6.827 -0.346) 6.994 14.368 ( 6.290 0.504 -1.102) 6.406 14.533 ( -4.278 -3.767 -2.112) 6.079 15.146 ( 0.789 -7.173 3.691) 8.105 15.274 ( -3.642 -5.014 1.223) 6.317 15.420 ( 3.515 2.515 1.607) 4.611 15.603 ( -1.100 -6.013 1.876) 6.394 15.982 ( -1.842 -3.462 -2.447) 4.622 16.309 ( -2.365 0.392 -2.203) 3.256 16.436 ( 6.119 4.391 4.971) 9.024 16.605 ( -2.026 -7.301 -2.807) 8.081 17.086 ( 1.963 -3.125 0.164) 3.694 17.249 ( -0.436 -5.522 -0.072) 5.539 17.409 ( -0.851 1.387 0.158) 1.635 17.591 ( -1.127 -0.533 -0.335) 1.291 20.036 ( -2.123 -4.870 -2.941) 6.073 20.131 ( 2.226 -9.355 -6.175) 11.428 20.538 ( -1.708 8.948 3.618) 9.802 20.708 ( 1.939 7.221 -2.751) 7.967 22.548 ( -1.196 -12.085 4.635) 12.999 22.718 ( 0.930 -6.169 -2.258) 6.635 22.960 ( -2.581 6.540 4.220) 8.200 23.182 ( 1.681 9.524 -3.821) 10.399 27.757 ( 5.755 -21.154 0.626) 21.932 27.867 ( -7.799 -24.233 3.383) 25.681 28.501 ( 2.459 22.730 2.830) 23.038 29.027 ( -1.687 16.576 -11.978) 20.521 30.931 ( 0.908 -7.761 4.827) 9.184 30.985 ( 0.594 -6.199 4.280) 7.557 31.124 ( 3.780 -10.121 3.549) 11.372 31.381 ( 1.244 0.797 -1.342) 1.996 31.539 ( -1.704 3.209 -1.213) 3.831 31.684 ( 7.546 8.419 0.625) 11.323 31.739 ( -5.269 -0.309 4.250) 6.776 32.578 ( 6.091 6.267 -23.049) 24.650 33.118 ( 0.219 -5.049 -3.732) 6.282 33.301 ( -1.454 -8.061 -6.628) 10.537 33.449 ( -2.769 5.132 8.392) 10.219 33.718 ( 5.057 6.529 -2.460) 8.617 35.457 ( -0.484 -1.689 1.751) 2.480 35.530 ( -0.140 -1.183 -0.271) 1.221 35.842 ( -6.733 -1.319 7.428) 10.112 36.012 ( -0.436 -0.976 -1.203) 1.609 36.334 ( -2.698 -3.246 3.290) 5.351 36.536 ( 0.508 -4.708 -1.896) 5.101 37.311 ( -2.076 -2.421 16.117) 16.430 38.227 ( 2.585 17.652 -11.479) 21.214 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.013 ( 8.665 -1.580 5.021) 10.138 2.145 ( 0.791 2.604 0.560) 2.778 2.330 ( 3.719 -2.611 1.891) 4.922 2.414 ( -6.447 -3.867 -5.618) 9.385 2.705 ( 0.670 -11.539 3.166) 11.984 2.817 ( 4.761 -8.606 2.558) 10.163 3.133 ( 4.785 6.963 0.076) 8.449 3.270 ( 3.728 9.047 -0.961) 9.832 3.387 ( -0.420 8.024 0.508) 8.051 3.499 ( -1.939 1.548 0.150) 2.485 3.589 ( -2.612 7.502 -2.359) 8.286 3.670 ( 1.560 6.622 -7.377) 10.035 3.761 ( -4.731 3.168 -3.855) 6.876 4.005 ( 1.674 -0.469 -2.837) 3.328 4.058 ( 4.412 -0.929 7.193) 8.489 4.399 ( -10.974 -0.047 -6.231) 12.620 4.570 ( -0.903 -4.208 4.717) 6.386 4.718 ( 1.791 -2.658 -4.750) 5.731 4.852 ( -1.774 -1.966 3.428) 4.331 4.987 ( 2.443 -1.530 1.527) 3.262 5.234 ( 7.547 -1.326 1.217) 7.758 5.359 ( -4.652 -0.385 -6.350) 7.881 5.561 ( 6.404 -5.675 5.577) 10.214 5.617 ( -5.691 -0.187 2.196) 6.103 5.871 ( 1.745 1.112 0.743) 2.199 6.012 ( -4.665 3.449 1.929) 6.114 6.112 ( -1.147 -4.164 0.787) 4.390 6.407 ( -2.373 0.032 -7.171) 7.554 6.420 ( -1.116 2.362 2.802) 3.831 6.606 ( 0.706 3.943 -2.245) 4.592 7.798 ( 2.163 -1.634 0.371) 2.736 7.966 ( 3.314 0.520 0.077) 3.355 8.169 ( 4.113 -1.863 6.313) 7.761 8.424 ( -3.015 -3.488 -2.431) 5.212 8.951 ( 0.972 1.424 -0.661) 1.846 9.080 ( -3.112 -5.569 -1.378) 6.526 9.217 ( -6.238 3.671 0.379) 7.248 9.351 ( 2.633 1.574 -3.970) 5.017 9.501 ( -1.095 1.924 0.387) 2.247 9.584 ( 1.301 -2.546 -1.951) 3.461 9.803 ( -2.890 2.648 0.300) 3.931 10.007 ( -4.828 -2.234 -4.774) 7.148 10.131 ( 10.567 6.261 6.422) 13.860 10.319 ( -0.251 5.336 -0.449) 5.360 10.451 ( -0.844 -1.364 3.284) 3.654 10.551 ( 1.399 -1.365 -3.194) 3.745 10.978 ( -4.717 -1.463 6.258) 7.972 11.267 ( 1.683 -2.034 -5.498) 6.099 11.398 ( -2.479 -1.600 0.764) 3.048 11.402 ( -1.035 1.627 1.781) 2.625 11.715 ( 5.147 7.708 1.336) 9.364 11.846 ( -2.889 5.221 -4.502) 7.475 12.217 ( 3.332 2.322 2.473) 4.755 12.315 ( 5.272 -5.678 5.574) 9.545 12.390 ( -1.512 -4.756 -2.557) 5.608 12.535 ( -4.913 -11.448 -4.545) 13.262 12.640 ( -1.834 2.570 -1.686) 3.579 12.706 ( -1.526 9.879 -1.688) 10.137 13.255 ( -2.313 -1.118 4.149) 4.880 13.470 ( 1.767 -1.781 -3.916) 4.651 13.781 ( 1.673 7.426 2.712) 8.081 13.853 ( 5.508 0.566 2.407) 6.038 14.333 ( 1.613 0.475 5.403) 5.658 14.633 ( -0.621 -6.654 -3.842) 7.709 15.226 ( -3.509 1.780 3.660) 5.373 15.348 ( 5.909 1.479 2.810) 6.708 15.366 ( -2.113 -1.560 -3.008) 3.993 15.557 ( -5.567 2.504 -4.153) 7.383 16.112 ( 2.211 -6.092 4.430) 7.850 16.267 ( -2.145 1.449 0.261) 2.602 16.398 ( 3.727 7.053 4.191) 9.011 16.685 ( -1.145 -5.873 -9.838) 11.515 17.155 ( 2.781 -1.675 0.816) 3.347 17.283 ( -2.212 0.749 -3.575) 4.270 17.413 ( 1.238 -1.311 5.026) 5.340 17.576 ( -1.984 0.517 -1.075) 2.315 20.137 ( 0.673 -7.168 -1.068) 7.279 20.214 ( 0.966 1.378 -1.832) 2.487 20.481 ( 1.122 -3.592 0.884) 3.866 20.591 ( 0.308 4.469 -2.470) 5.115 22.668 ( -3.215 9.299 4.326) 10.748 22.747 ( -1.634 -8.014 2.196) 8.468 22.958 ( 2.220 3.130 -2.454) 4.555 23.026 ( 0.548 -1.305 -3.086) 3.395 28.121 ( -0.184 17.903 3.816) 18.306 28.174 ( 5.684 -12.893 1.051) 14.130 28.263 ( -1.801 -20.759 2.891) 21.037 28.636 ( -4.726 12.618 -14.103) 19.505 31.061 ( -0.167 2.667 3.516) 4.416 31.104 ( -0.956 -7.591 4.925) 9.099 31.225 ( 2.140 1.962 -0.749) 2.998 31.359 ( 0.432 -1.773 -2.196) 2.855 31.510 ( 2.521 0.494 3.097) 4.024 31.682 ( 5.355 -0.307 -1.195) 5.495 31.738 ( -2.119 0.551 6.952) 7.289 32.344 ( 4.542 8.057 -20.838) 22.799 33.167 ( -0.583 -0.716 1.945) 2.153 33.361 ( -1.359 0.787 -2.400) 2.868 33.439 ( 0.206 -3.502 2.616) 4.376 33.634 ( 2.146 3.449 -2.249) 4.643 35.484 ( -0.703 -0.351 2.300) 2.430 35.538 ( 0.074 0.040 -0.339) 0.350 35.833 ( -5.291 1.290 7.049) 8.908 36.029 ( -0.092 -1.769 -1.546) 2.352 36.395 ( -5.013 -3.787 5.170) 8.136 36.581 ( -0.823 -0.435 2.663) 2.821 37.470 ( 1.320 -7.021 5.647) 9.106 37.925 ( 2.544 9.229 -10.666) 14.332 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.025 ( 8.477 10.183 10.172) 16.704 2.179 ( 5.275 1.393 0.199) 5.460 2.279 ( -9.860 1.850 4.253) 10.896 2.413 ( 1.900 3.876 1.546) 4.586 2.841 ( -11.666 10.267 -1.713) 15.635 2.944 ( 7.981 6.573 7.095) 12.539 3.022 ( 11.054 6.476 4.106) 13.453 3.159 ( 6.922 10.744 -5.061) 13.747 3.207 ( -3.653 -2.191 -8.034) 9.094 3.316 ( 1.557 0.989 -9.103) 9.288 3.457 ( 8.240 5.150 0.340) 9.723 3.611 ( 2.799 -0.305 -6.980) 7.526 3.712 ( -8.948 -2.483 4.425) 10.286 4.039 ( -3.257 -3.821 -0.028) 5.021 4.134 ( 4.340 1.305 4.907) 6.680 4.283 ( -7.195 -0.334 -7.368) 10.304 4.712 ( 0.409 -6.888 4.604) 8.296 4.748 ( -2.749 -4.693 -4.281) 6.922 4.944 ( 1.553 -6.242 3.221) 7.194 5.061 ( 0.408 -1.176 4.732) 4.893 5.277 ( -1.977 -0.256 -1.633) 2.577 5.343 ( 4.432 -1.089 -2.991) 5.456 5.595 ( -5.648 -1.050 0.265) 5.751 5.723 ( 4.105 -2.860 1.933) 5.363 5.836 ( -3.906 3.722 -0.129) 5.397 5.864 ( 2.499 7.636 -0.314) 8.041 6.231 ( -1.822 -7.430 2.715) 8.117 6.348 ( -4.251 1.988 3.112) 5.631 6.390 ( 0.536 -1.097 -5.763) 5.891 6.516 ( 1.631 5.043 -2.273) 5.767 7.837 ( 1.053 -0.443 2.224) 2.500 7.952 ( -2.844 -1.105 -6.073) 6.796 8.307 ( 8.183 -2.580 10.056) 13.219 8.417 ( -5.527 -1.466 -4.160) 7.071 8.972 ( -1.392 0.032 2.504) 2.865 9.143 ( -0.518 -5.465 -4.761) 7.267 9.159 ( 1.296 0.725 3.878) 4.153 9.316 ( 4.346 2.918 -3.941) 6.552 9.468 ( -0.816 2.276 0.911) 2.584 9.535 ( -0.025 4.826 -0.860) 4.902 9.850 ( -2.135 -5.965 0.769) 6.382 9.990 ( 3.472 -2.169 -2.006) 4.559 10.108 ( -3.575 2.189 2.974) 5.140 10.212 ( 1.005 3.465 -2.392) 4.329 10.506 ( -2.918 -3.972 1.946) 5.299 10.628 ( 4.920 -4.174 -1.156) 6.555 11.021 ( -6.310 -2.799 5.923) 9.096 11.320 ( 8.273 -0.798 -3.428) 8.991 11.394 ( -0.027 -1.522 4.456) 4.709 11.467 ( -0.720 -5.173 4.414) 6.838 11.625 ( 4.356 6.075 -0.027) 7.475 11.682 ( -2.426 6.708 -6.949) 9.958 12.271 ( 5.787 -0.711 3.127) 6.617 12.334 ( -6.882 -1.184 -4.930) 8.548 12.455 ( 0.425 1.395 3.090) 3.417 12.551 ( -1.938 3.195 -1.905) 4.195 12.632 ( -5.084 -7.174 -2.603) 9.170 12.700 ( 4.907 -7.644 -0.623) 9.105 13.304 ( -1.401 -2.921 4.952) 5.918 13.471 ( -0.352 -0.661 -3.860) 3.932 13.685 ( 5.120 7.042 3.201) 9.277 13.766 ( -2.593 7.265 -5.233) 9.322 14.475 ( 5.140 -4.810 9.731) 12.010 14.665 ( -2.324 -0.399 -4.425) 5.014 15.124 ( -4.549 7.293 2.126) 8.854 15.221 ( 1.040 6.843 -1.823) 7.157 15.421 ( -2.887 0.951 -0.257) 3.051 15.545 ( 1.017 -3.588 -3.913) 5.405 16.087 ( -2.145 6.189 4.660) 8.039 16.284 ( 3.734 4.396 -3.478) 6.735 16.375 ( 1.213 -2.808 7.753) 8.334 16.668 ( -2.784 -1.097 -11.891) 12.261 17.171 ( 1.682 3.052 1.711) 3.882 17.211 ( -2.255 2.201 -3.298) 4.561 17.466 ( 1.711 0.469 3.496) 3.921 17.536 ( -1.315 1.607 -1.063) 2.333 20.142 ( 0.361 4.868 2.375) 5.428 20.217 ( 2.595 0.773 -2.658) 3.794 20.555 ( -2.119 -5.609 1.207) 6.116 20.653 ( 2.384 -10.193 -2.670) 10.803 22.467 ( -3.544 12.467 5.340) 14.018 22.712 ( 4.115 10.928 -4.870) 12.652 22.947 ( -5.022 -6.913 4.380) 9.602 23.160 ( 2.866 -8.829 -4.120) 10.156 27.766 ( 1.408 22.599 5.978) 23.419 28.008 ( -5.310 21.093 -12.088) 24.884 28.638 ( -6.285 -22.136 -0.223) 23.012 28.757 ( 9.863 -19.504 1.021) 21.880 30.962 ( -1.625 6.835 1.974) 7.298 31.081 ( -0.004 7.920 -3.627) 8.711 31.235 ( -9.151 -1.298 4.832) 10.430 31.462 ( 3.112 -6.966 0.566) 7.650 31.559 ( 3.666 -1.279 3.320) 5.109 31.689 ( -2.172 -0.641 -1.592) 2.768 31.726 ( -1.849 2.241 -1.267) 3.169 32.235 ( 19.247 2.547 -11.380) 22.504 33.163 ( 3.978 4.256 4.042) 7.091 33.264 ( 0.035 7.065 -2.379) 7.455 33.504 ( -1.417 -2.297 2.289) 3.539 33.650 ( 1.210 -5.776 -5.608) 8.140 35.480 ( -1.305 1.246 2.040) 2.723 35.527 ( 0.524 1.316 -0.223) 1.434 35.801 ( -3.974 2.788 7.513) 8.945 36.043 ( 0.925 -0.657 -3.363) 3.549 36.433 ( -5.720 -1.949 4.457) 7.509 36.585 ( -1.650 0.823 3.527) 3.980 37.497 ( -14.886 0.470 2.991) 15.191 37.965 ( 14.689 -11.004 -6.336) 19.416 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 17.604 0.000 -14.643) 22.898 2.131 ( 11.523 0.000 -8.104) 14.088 2.277 ( -11.764 -0.000 10.014) 15.449 2.399 ( 13.083 0.000 -5.335) 14.129 2.612 ( -20.383 -0.000 -5.565) 21.129 2.678 ( 5.695 0.000 -0.513) 5.718 2.903 ( 10.583 0.000 -8.265) 13.428 2.976 ( -0.830 -0.000 -1.009) 1.306 3.136 ( 5.099 0.000 -7.163) 8.793 3.156 ( -11.417 -0.000 -8.680) 14.342 3.478 ( 3.954 0.000 4.345) 5.875 3.650 ( -0.327 -0.000 0.671) 0.746 3.761 ( 2.591 0.000 8.190) 8.590 3.872 ( 2.190 0.000 0.262) 2.206 4.097 ( -9.877 -0.000 3.067) 10.343 4.358 ( 7.659 0.000 2.442) 8.039 4.437 ( -6.906 -0.000 6.374) 9.398 4.879 ( -1.139 -0.000 1.253) 1.693 5.009 ( 2.940 0.000 0.146) 2.944 5.057 ( -5.586 -0.000 -3.630) 6.662 5.075 ( -2.350 -0.000 6.635) 7.039 5.419 ( -5.673 -0.000 -4.934) 7.518 5.512 ( 0.324 0.000 -3.646) 3.660 5.879 ( 0.718 0.000 1.206) 1.404 5.929 ( 10.754 0.000 -1.835) 10.909 5.996 ( 3.979 0.000 7.349) 8.357 6.258 ( 2.609 0.000 -1.635) 3.079 6.302 ( -0.678 -0.000 3.708) 3.769 6.701 ( 0.427 0.000 2.392) 2.430 6.703 ( -0.295 -0.000 2.818) 2.833 7.860 ( 0.199 0.000 -4.474) 4.479 8.218 ( -3.289 -0.000 -0.075) 3.290 8.248 ( -5.053 -0.000 -0.069) 5.054 8.358 ( -2.122 -0.000 -6.502) 6.839 8.859 ( 5.395 0.000 10.703) 11.986 9.004 ( 0.255 0.000 4.374) 4.381 9.291 ( 1.274 0.000 -2.481) 2.789 9.407 ( 0.172 0.000 -4.119) 4.123 9.532 ( 0.259 0.000 -3.612) 3.622 9.563 ( 3.391 0.000 4.826) 5.898 9.845 ( 2.213 0.000 2.969) 3.704 9.992 ( -1.336 -0.000 -7.652) 7.768 10.195 ( -5.833 -0.000 -10.437) 11.956 10.330 ( -0.210 -0.000 -1.240) 1.257 10.822 ( -4.945 -0.000 3.959) 6.334 11.002 ( 6.289 0.000 -5.022) 8.048 11.160 ( -0.624 -0.000 -2.298) 2.381 11.175 ( -5.095 -0.000 7.493) 9.061 11.403 ( 0.028 0.000 -0.088) 0.092 11.650 ( 4.785 0.000 1.410) 4.989 11.885 ( -8.239 -0.000 -8.811) 12.062 11.954 ( -6.215 -0.000 -2.856) 6.840 12.172 ( 15.473 0.000 11.037) 19.006 12.332 ( 6.082 0.000 3.925) 7.239 12.428 ( -1.466 -0.000 3.022) 3.359 12.507 ( 9.755 0.000 -3.312) 10.301 12.844 ( -1.948 -0.000 2.359) 3.060 12.863 ( -2.825 -0.000 -7.432) 7.951 13.325 ( -3.287 -0.000 -0.092) 3.288 13.464 ( 1.312 0.000 5.674) 5.824 13.588 ( -1.683 -0.000 -4.547) 4.848 13.728 ( -2.862 -0.000 -1.496) 3.230 14.345 ( 15.413 0.000 12.393) 19.777 14.418 ( -0.244 -0.000 -0.707) 0.748 14.486 ( -1.308 -0.000 -1.222) 1.790 14.936 ( -0.725 -0.000 7.774) 7.807 15.008 ( 0.993 0.000 -0.533) 1.127 15.206 ( 1.675 0.000 -2.260) 2.813 15.784 ( -2.787 -0.000 -9.925) 10.309 16.447 ( -2.720 -0.000 -7.208) 7.705 16.672 ( 2.228 0.000 5.606) 6.033 16.729 ( 2.972 0.000 3.270) 4.419 16.920 ( -0.432 -0.000 2.381) 2.420 16.972 ( 0.699 0.000 0.399) 0.805 17.246 ( 1.074 0.000 0.254) 1.103 17.591 ( -1.358 -0.000 -1.058) 1.721 19.825 ( -0.210 -0.000 -6.107) 6.111 20.115 ( -6.542 -0.000 -4.663) 8.034 20.959 ( -2.267 -0.000 0.598) 2.344 20.965 ( -0.028 -0.000 -1.711) 1.711 22.054 ( -0.820 -0.000 6.144) 6.199 22.368 ( 2.509 0.000 -2.513) 3.551 23.329 ( -2.053 -0.000 3.385) 3.959 23.471 ( 2.212 0.000 -3.293) 3.967 26.967 ( -0.132 -0.000 0.157) 0.205 26.972 ( 0.001 0.000 -0.021) 0.021 29.387 ( 0.522 0.000 -0.985) 1.114 29.621 ( 1.786 0.000 -3.244) 3.703 30.333 ( 5.732 0.000 5.529) 7.964 30.737 ( -0.132 -0.000 2.611) 2.614 30.764 ( -2.612 -0.000 3.989) 4.768 31.252 ( 0.071 0.000 -3.206) 3.206 31.463 ( -3.602 -0.000 1.763) 4.010 32.033 ( 0.939 0.000 -2.187) 2.380 32.199 ( -0.384 -0.000 -2.888) 2.913 32.441 ( 6.440 0.000 -7.048) 9.547 32.764 ( 4.582 0.000 -1.569) 4.843 33.363 ( 12.890 0.000 -35.697) 37.953 33.618 ( -6.015 -0.000 8.620) 10.511 33.903 ( 10.885 0.000 -8.652) 13.905 35.361 ( -1.043 -0.000 2.340) 2.562 35.495 ( 0.954 0.000 -1.851) 2.083 35.741 ( -4.875 -0.000 5.699) 7.500 35.902 ( 4.828 0.000 -4.497) 6.598 36.284 ( -1.765 -0.000 -2.064) 2.716 36.348 ( -10.681 -0.000 2.653) 11.005 37.337 ( -9.443 -0.000 33.244) 34.559 39.006 ( -0.258 -0.000 -4.236) 4.244 ======================= Grid point 161 (80/114) ======================= q-point: (-0.50 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( 11.076 -6.310 -10.420) 16.465 1.943 ( -15.479 15.504 1.829) 21.984 2.202 ( -5.032 0.060 -11.444) 12.502 2.331 ( 7.509 -6.174 -12.623) 15.933 2.611 ( -4.473 -2.043 2.733) 5.626 2.801 ( 8.040 -6.482 -1.267) 10.405 2.848 ( 1.746 -0.676 -3.648) 4.101 3.073 ( 3.233 -0.120 -6.548) 7.303 3.161 ( -5.359 -11.738 -2.319) 13.110 3.290 ( 5.048 -16.780 -0.601) 17.533 3.532 ( 6.294 2.454 3.873) 7.787 3.627 ( -2.530 1.204 1.281) 3.081 3.797 ( 6.726 2.729 4.282) 8.427 3.899 ( -3.249 -3.003 0.008) 4.424 4.094 ( 0.876 0.791 6.258) 6.368 4.433 ( 1.294 -1.247 3.402) 3.847 4.455 ( -2.520 -3.162 4.424) 5.994 4.801 ( -10.653 4.461 -2.726) 11.866 4.880 ( 1.407 6.027 -0.808) 6.241 5.068 ( -3.329 -0.542 4.202) 5.388 5.177 ( 1.217 -6.607 2.560) 7.190 5.344 ( -1.139 3.601 -3.054) 4.857 5.591 ( 4.984 -7.870 -2.702) 9.699 5.814 ( -6.573 3.663 -2.289) 7.866 5.967 ( 6.981 4.694 -1.182) 8.495 6.044 ( -1.880 0.543 -0.006) 1.957 6.273 ( -0.584 2.657 3.174) 4.180 6.274 ( 5.387 1.402 4.562) 7.197 6.640 ( -1.534 6.278 3.195) 7.209 6.718 ( 0.486 0.503 1.432) 1.594 7.812 ( -0.285 1.886 -3.181) 3.709 8.141 ( -6.567 1.367 -2.394) 7.122 8.198 ( 1.433 3.869 -0.502) 4.157 8.312 ( -0.261 1.117 -5.429) 5.549 8.929 ( 3.382 1.612 7.875) 8.721 9.087 ( 2.623 -0.273 3.734) 4.571 9.286 ( 1.687 -0.978 4.184) 4.616 9.388 ( -1.714 -1.432 -2.113) 3.074 9.464 ( -1.530 1.129 -6.710) 6.974 9.652 ( -1.032 -0.905 2.175) 2.572 9.879 ( 5.793 0.716 3.307) 6.709 9.924 ( -1.365 -0.514 -6.334) 6.500 10.124 ( -6.406 -3.319 -8.935) 11.484 10.352 ( 1.375 -2.294 -1.730) 3.186 10.717 ( -6.899 5.686 0.467) 8.952 10.958 ( 3.215 5.832 -7.534) 10.055 11.112 ( -4.316 3.515 3.150) 6.396 11.193 ( -2.615 -1.781 3.870) 4.999 11.393 ( -1.601 -0.268 -2.763) 3.205 11.651 ( -3.674 6.234 -8.451) 11.126 11.746 ( 5.468 -1.083 0.870) 5.642 11.950 ( -6.983 -4.452 -2.923) 8.782 12.225 ( 5.091 8.490 5.315) 11.236 12.327 ( 10.811 6.413 4.623) 13.393 12.480 ( 2.212 5.821 1.756) 6.470 12.594 ( 0.075 -3.031 2.093) 3.684 12.730 ( 7.799 4.280 0.484) 8.910 12.832 ( -0.543 1.074 0.996) 1.562 13.274 ( -3.456 2.063 1.970) 4.481 13.486 ( 0.755 -0.493 3.155) 3.282 13.604 ( 0.690 1.922 -2.354) 3.116 13.761 ( -5.693 -10.781 -2.614) 12.469 14.367 ( 7.527 3.265 4.620) 9.416 14.527 ( 0.811 -5.619 -2.044) 6.034 14.803 ( 7.827 -14.653 8.687) 18.746 14.991 ( -4.330 -9.762 3.397) 11.206 15.146 ( 5.315 -7.694 6.499) 11.388 15.236 ( 1.034 -5.668 0.299) 5.770 15.783 ( -1.869 -7.088 -9.205) 11.767 16.343 ( -3.905 2.078 -9.583) 10.554 16.632 ( 2.358 6.735 4.291) 8.326 16.683 ( 0.668 8.681 3.463) 9.370 16.954 ( 1.767 -3.488 2.424) 4.601 17.052 ( -0.194 -4.864 0.466) 4.890 17.324 ( 1.808 -5.250 0.863) 5.620 17.568 ( -3.039 -0.572 -2.039) 3.704 19.842 ( 2.011 -4.699 -5.764) 7.704 20.005 ( -6.752 1.747 -6.551) 9.568 20.862 ( -2.344 7.109 1.361) 7.608 20.937 ( 0.938 3.668 -2.333) 4.447 22.154 ( -0.569 -7.442 6.556) 9.934 22.429 ( 1.588 -6.329 -2.924) 7.150 23.262 ( -3.264 6.831 3.670) 8.413 23.433 ( 2.152 3.854 -3.864) 5.866 27.093 ( 1.541 -12.796 -0.033) 12.888 27.104 ( -2.113 -14.511 1.168) 14.710 29.230 ( 2.534 15.972 1.068) 16.207 29.530 ( -1.152 8.637 -5.668) 10.395 30.571 ( 8.677 -12.466 10.595) 18.518 30.784 ( -0.200 -3.030 3.964) 4.994 30.801 ( -0.386 -3.488 3.303) 4.819 31.286 ( 2.180 -4.054 -1.696) 4.906 31.472 ( -3.359 -2.652 1.403) 4.504 31.953 ( 1.169 7.138 -1.651) 7.419 32.059 ( 0.520 10.215 -4.232) 11.069 32.523 ( 4.256 -7.029 -11.168) 13.865 32.868 ( 3.532 -7.572 -3.470) 9.047 33.211 ( 4.497 2.221 -30.611) 31.019 33.599 ( -5.527 2.371 8.517) 10.427 33.908 ( 9.560 3.188 -7.672) 12.665 35.385 ( -0.590 -1.669 2.300) 2.903 35.491 ( 0.438 -0.245 -1.281) 1.376 35.750 ( -6.228 -2.126 6.174) 9.024 35.949 ( 3.824 -3.061 -4.145) 6.417 36.274 ( 0.149 -0.477 -0.649) 0.819 36.318 ( -5.838 -3.654 0.397) 6.899 37.432 ( -5.308 4.735 34.373) 35.101 38.837 ( -3.023 11.981 -9.798) 15.770 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( -9.717 -2.507 1.225) 10.110 1.879 ( -0.728 -6.952 -7.346) 10.140 2.133 ( -6.938 -5.039 -11.043) 13.981 2.313 ( 6.662 1.884 -13.598) 15.259 2.725 ( -5.299 0.147 1.923) 5.639 2.849 ( 0.691 2.601 0.845) 2.820 2.987 ( 8.154 -12.987 2.197) 15.491 3.184 ( -1.659 -16.011 -3.940) 16.571 3.343 ( 7.869 -3.953 4.460) 9.871 3.501 ( 1.079 0.377 0.701) 1.341 3.591 ( -4.906 -11.202 -5.227) 13.300 3.630 ( 6.609 1.173 2.326) 7.104 3.835 ( 5.981 1.556 2.431) 6.641 3.916 ( -2.503 -3.234 -3.914) 5.661 4.126 ( 3.101 1.356 6.827) 7.620 4.423 ( -9.661 0.699 -2.613) 10.032 4.523 ( -2.798 -2.975 4.463) 6.050 4.663 ( -0.623 1.090 -2.729) 3.004 4.836 ( 4.453 2.283 5.079) 7.130 5.086 ( -1.200 -1.869 -1.745) 2.824 5.236 ( 1.404 4.765 1.831) 5.294 5.304 ( -1.081 -3.165 1.294) 3.586 5.621 ( -3.359 8.150 -1.101) 8.884 5.781 ( 1.546 -3.684 -3.237) 5.142 5.848 ( 0.565 5.024 -0.751) 5.111 5.971 ( -0.990 4.800 2.601) 5.548 6.230 ( -3.572 2.479 -1.718) 4.675 6.329 ( 3.844 -0.133 -0.462) 3.874 6.549 ( -0.665 4.860 7.861) 9.266 6.709 ( 0.385 1.494 -0.061) 1.544 7.779 ( 1.481 0.795 0.298) 1.707 8.036 ( -6.261 1.742 -6.135) 8.938 8.162 ( 3.643 2.746 2.247) 5.085 8.294 ( 3.244 -1.237 -2.044) 4.029 8.955 ( -1.353 0.189 3.034) 3.328 9.050 ( 1.093 4.528 0.840) 4.733 9.313 ( -4.801 -0.798 -2.267) 5.369 9.363 ( -0.955 0.162 -6.765) 6.834 9.502 ( 3.349 -2.252 6.485) 7.639 9.617 ( -1.148 2.134 1.242) 2.723 9.882 ( -4.948 -3.557 -5.539) 8.235 9.948 ( 6.331 3.751 -3.145) 8.003 10.157 ( 2.339 -6.103 4.704) 8.052 10.383 ( -1.622 -1.515 -1.056) 2.458 10.551 ( -5.392 7.689 1.297) 9.480 10.785 ( 0.805 9.175 -7.962) 12.175 11.036 ( -3.680 3.370 4.403) 6.655 11.206 ( -3.062 0.054 -0.956) 3.209 11.348 ( -3.538 -0.256 -3.177) 4.762 11.498 ( 2.281 3.460 -6.278) 7.523 11.858 ( 5.300 -3.261 2.900) 6.865 11.970 ( -5.849 -2.761 -4.193) 7.709 12.130 ( -1.117 2.173 4.970) 5.538 12.263 ( 7.304 8.279 0.660) 11.061 12.420 ( 0.205 4.738 0.877) 4.823 12.489 ( 1.755 7.041 0.975) 7.321 12.797 ( 2.481 3.580 1.860) 4.736 12.848 ( -0.227 -2.503 1.689) 3.028 13.251 ( -2.420 -0.202 2.344) 3.375 13.449 ( 0.609 3.611 -3.613) 5.144 13.678 ( 7.414 -5.907 8.421) 12.679 13.883 ( -6.631 -7.382 -2.122) 10.147 14.407 ( 7.550 0.351 1.851) 7.781 14.523 ( -2.192 4.329 -4.430) 6.570 15.024 ( -0.328 -8.679 5.223) 10.135 15.156 ( -1.807 -6.086 -1.049) 6.435 15.385 ( 1.052 -10.838 5.690) 12.286 15.498 ( 6.712 -10.365 5.976) 13.719 15.867 ( -0.634 -6.971 -3.451) 7.804 16.236 ( -4.431 -0.201 -9.189) 10.204 16.556 ( -1.594 4.626 2.888) 5.682 16.594 ( 6.666 3.654 3.219) 8.255 17.039 ( 0.616 -3.466 1.073) 3.680 17.141 ( 0.506 -5.531 -1.153) 5.673 17.409 ( 0.631 -1.737 1.494) 2.376 17.552 ( -2.845 -1.598 -1.984) 3.819 19.926 ( -3.553 -2.610 -4.869) 6.568 19.953 ( 3.477 -8.069 -5.841) 10.551 20.707 ( -2.442 9.025 2.739) 9.742 20.835 ( 1.767 6.837 -2.831) 7.608 22.359 ( -0.603 -11.142 6.177) 12.754 22.565 ( 1.238 -9.014 -3.143) 9.626 23.108 ( -4.242 8.837 4.645) 10.847 23.326 ( 2.346 7.339 -4.352) 8.849 27.408 ( -5.220 -21.045 1.620) 21.743 27.440 ( 6.839 -21.137 0.663) 22.226 28.934 ( 3.648 20.650 3.626) 21.281 29.238 ( -4.402 16.052 -9.385) 19.109 30.850 ( 1.655 -5.307 5.162) 7.586 30.905 ( 1.793 -5.753 3.472) 6.955 30.978 ( 4.338 -13.560 10.100) 17.456 31.373 ( 1.865 -3.265 -0.834) 3.852 31.504 ( -2.062 -2.086 1.043) 3.113 31.806 ( -0.130 8.304 -3.542) 9.029 31.882 ( 3.136 7.712 0.568) 8.344 32.527 ( 2.387 -0.229 -25.970) 26.081 32.996 ( 1.974 -6.301 -5.497) 8.592 33.112 ( -2.907 -6.035 -9.648) 11.745 33.551 ( -4.250 3.835 8.045) 9.874 33.855 ( 7.142 5.684 -5.478) 10.645 35.428 ( -0.513 -2.117 2.144) 3.057 35.501 ( -0.149 -1.304 -0.892) 1.587 35.786 ( -6.919 -3.227 7.233) 10.516 35.985 ( 0.660 -1.003 -2.223) 2.526 36.294 ( 0.194 -1.250 1.019) 1.624 36.408 ( 1.977 -8.145 -3.045) 8.918 37.469 ( -3.009 7.114 29.589) 30.580 38.478 ( -1.941 16.946 -14.180) 22.181 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( -2.779 -15.985 1.724) 16.316 1.976 ( -6.506 -11.159 -5.971) 14.231 2.203 ( -0.915 -12.808 -9.564) 16.011 2.320 ( 7.036 -2.938 -6.296) 9.888 2.679 ( -6.840 -1.820 3.009) 7.691 2.757 ( 4.964 6.021 4.055) 8.794 3.219 ( -3.244 -5.517 0.876) 6.459 3.375 ( -4.937 -0.946 1.260) 5.183 3.412 ( 10.424 -0.910 -0.005) 10.464 3.581 ( -1.087 4.508 0.106) 4.639 3.609 ( -6.619 -4.377 -3.472) 8.662 3.626 ( 3.335 -0.239 -2.012) 3.902 3.818 ( 0.711 4.722 0.443) 4.796 3.971 ( 6.061 -4.065 -6.369) 9.686 4.174 ( 5.426 1.404 8.846) 10.472 4.293 ( -9.319 1.041 -4.477) 10.391 4.536 ( -3.924 -0.648 4.310) 5.864 4.695 ( 4.953 -1.761 -3.005) 6.055 4.866 ( -2.298 1.783 3.407) 4.480 5.068 ( 7.677 3.919 -2.014) 8.852 5.245 ( 3.784 -1.254 3.234) 5.133 5.314 ( -2.019 -0.312 -2.450) 3.190 5.526 ( 0.872 -1.017 4.228) 4.435 5.641 ( -1.455 6.580 -2.511) 7.192 5.909 ( 0.612 -0.449 2.634) 2.742 5.979 ( -3.179 -5.066 4.145) 7.277 6.093 ( -4.937 5.419 -3.487) 8.118 6.329 ( 1.082 -0.191 -6.977) 7.064 6.515 ( -1.206 4.209 7.807) 8.951 6.672 ( 1.281 2.956 -0.938) 3.356 7.808 ( 2.391 -0.393 2.376) 3.394 7.936 ( -4.857 -0.091 -8.289) 9.607 8.196 ( 1.410 -2.497 5.821) 6.489 8.362 ( 4.614 -2.317 -0.568) 5.194 8.941 ( -4.581 -1.097 -1.244) 4.872 9.010 ( 4.484 1.321 -0.029) 4.675 9.239 ( -4.731 1.929 -0.410) 5.125 9.362 ( 3.307 -0.586 -3.707) 5.002 9.550 ( 1.168 2.711 0.591) 3.010 9.568 ( 0.864 1.718 1.520) 2.451 9.868 ( -3.659 0.631 -1.987) 4.211 9.889 ( -2.947 0.235 -2.206) 3.689 10.329 ( 6.182 -1.353 6.489) 9.064 10.372 ( -7.042 -1.562 -0.336) 7.221 10.403 ( -1.472 5.845 1.059) 6.120 10.599 ( 2.403 6.444 -5.293) 8.678 10.987 ( -2.591 2.085 5.304) 6.260 11.180 ( -1.221 -3.018 -3.781) 4.989 11.353 ( -1.274 -1.936 0.897) 2.485 11.447 ( 2.312 2.181 -2.601) 4.108 11.839 ( -8.328 6.095 -1.435) 10.420 11.935 ( 6.683 3.293 0.661) 7.480 12.209 ( -3.693 -6.518 0.131) 7.493 12.285 ( 6.394 -6.410 1.698) 9.212 12.324 ( -0.474 3.077 0.553) 3.162 12.419 ( 2.957 4.059 -1.924) 5.378 12.733 ( 0.972 6.718 3.075) 7.452 12.810 ( -2.730 4.749 -1.965) 5.820 13.243 ( -2.575 -0.313 3.319) 4.212 13.429 ( 2.621 -1.369 -3.808) 4.821 13.861 ( -1.722 -0.020 2.859) 3.338 13.919 ( 3.474 -3.319 2.814) 5.568 14.366 ( -4.949 4.256 -1.040) 6.610 14.500 ( 4.958 -4.390 -2.771) 7.178 15.161 ( -3.923 -5.519 3.465) 7.606 15.257 ( 2.141 -5.945 0.623) 6.349 15.499 ( -3.215 -0.207 0.570) 3.271 15.584 ( 4.680 6.384 -0.067) 7.916 16.015 ( 2.083 -8.790 5.773) 10.720 16.203 ( -4.804 -4.350 -6.586) 9.240 16.485 ( -4.380 2.714 0.839) 5.220 16.651 ( 10.910 0.960 -0.199) 10.954 17.117 ( 0.272 -4.373 1.694) 4.698 17.225 ( 1.279 -3.552 -4.446) 5.832 17.434 ( -0.151 -0.382 4.921) 4.938 17.544 ( -2.675 -0.803 -2.418) 3.694 19.986 ( -1.016 -7.922 -1.247) 8.083 20.112 ( 4.438 -8.836 -6.228) 11.685 20.554 ( -1.715 7.400 3.965) 8.569 20.698 ( 1.205 7.748 -3.258) 8.491 22.576 ( -2.254 -10.320 4.527) 11.492 22.711 ( 1.189 -6.247 -1.586) 6.554 22.966 ( -2.349 5.529 4.054) 7.247 23.164 ( 2.276 9.947 -4.421) 11.121 27.761 ( -7.077 -22.806 0.646) 23.887 27.929 ( 13.791 -22.582 1.915) 26.529 28.603 ( 3.392 22.251 5.998) 23.294 28.816 ( -6.848 18.802 -11.738) 23.199 30.985 ( -0.798 -7.091 3.784) 8.077 31.047 ( 1.788 -5.993 2.449) 6.716 31.216 ( -1.317 -3.517 5.486) 6.648 31.400 ( 2.860 2.415 -0.974) 3.868 31.519 ( -1.297 -1.280 1.478) 2.347 31.656 ( -2.017 3.262 -2.342) 4.494 31.855 ( 5.811 2.462 2.938) 6.962 32.338 ( 1.846 2.933 -25.857) 26.088 33.086 ( -2.410 -6.285 0.451) 6.746 33.223 ( 0.706 -9.060 -5.051) 10.397 33.493 ( -3.088 3.842 7.275) 8.788 33.756 ( 4.429 7.408 -4.076) 9.545 35.470 ( -1.206 -1.684 2.204) 3.024 35.521 ( 0.010 -1.464 -0.806) 1.672 35.828 ( -5.977 -1.955 7.905) 10.101 35.992 ( 0.232 -1.013 -1.550) 1.866 36.330 ( -2.059 -2.239 3.250) 4.451 36.546 ( 2.396 -5.242 -1.152) 5.878 37.497 ( 0.284 2.706 17.959) 18.163 38.091 ( -0.137 15.071 -14.636) 21.009 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.014 ( -8.152 -9.171 -2.474) 12.518 2.125 ( -0.563 -8.214 -4.998) 9.631 2.330 ( 0.256 -0.173 -0.118) 0.331 2.403 ( 3.127 -5.626 -0.469) 6.454 2.797 ( 1.114 -3.813 4.216) 5.793 2.872 ( 2.449 -17.150 -0.550) 17.333 3.183 ( -4.593 6.538 -5.736) 9.836 3.227 ( -1.958 14.273 4.688) 15.151 3.352 ( -1.912 4.283 -8.622) 9.815 3.451 ( -2.534 4.406 -2.947) 5.875 3.557 ( 1.572 3.585 4.814) 6.205 3.627 ( 7.268 6.403 -0.970) 9.735 3.747 ( 0.082 2.624 -0.510) 2.675 4.009 ( 1.143 2.238 -2.117) 3.286 4.213 ( 3.186 0.742 -2.490) 4.111 4.261 ( 2.684 0.725 6.686) 7.241 4.602 ( -3.898 -5.001 7.041) 9.475 4.703 ( 3.601 -0.316 -2.992) 4.693 4.865 ( 0.164 -3.852 -2.436) 4.561 5.051 ( 3.098 1.231 -0.276) 3.345 5.253 ( -2.238 0.547 -3.573) 4.252 5.364 ( 8.671 -2.021 1.367) 9.008 5.507 ( -8.282 -0.029 0.629) 8.306 5.705 ( 3.371 -4.770 3.122) 6.623 5.858 ( -4.949 2.428 -0.806) 5.571 5.986 ( -1.877 3.678 3.777) 5.596 6.082 ( -2.633 -6.266 1.269) 6.914 6.301 ( 1.024 -0.558 -5.088) 5.220 6.466 ( -0.338 4.488 5.266) 6.928 6.613 ( 2.867 4.535 -1.756) 5.645 7.813 ( -4.895 -1.519 -2.964) 5.921 7.887 ( -0.741 -0.360 -2.012) 2.174 8.270 ( -4.785 -2.430 -1.085) 5.475 8.451 ( 9.517 -1.836 4.549) 10.707 8.914 ( -4.308 -1.054 -2.720) 5.203 9.082 ( 4.740 -2.620 1.688) 5.673 9.195 ( -0.339 0.510 3.179) 3.237 9.383 ( 7.277 0.590 -2.932) 7.868 9.479 ( -2.085 1.523 0.358) 2.607 9.583 ( 1.581 0.626 -2.093) 2.697 9.811 ( -1.153 3.671 3.862) 5.452 9.885 ( -4.657 -6.176 0.066) 7.735 10.220 ( -4.568 9.092 -7.072) 12.391 10.312 ( 1.303 5.517 1.674) 5.911 10.399 ( -2.581 -4.650 2.054) 5.701 10.611 ( 5.275 -2.308 -0.776) 5.810 10.987 ( -3.790 -0.435 6.455) 7.498 11.267 ( 4.315 -6.840 -2.768) 8.548 11.390 ( -0.746 -2.203 1.625) 2.837 11.439 ( 3.313 0.279 1.931) 3.844 11.652 ( -8.458 4.727 -4.504) 10.685 11.873 ( 7.080 8.714 0.349) 11.233 12.258 ( -2.707 1.191 -0.887) 3.088 12.315 ( -3.043 -4.560 -0.538) 5.509 12.393 ( 1.077 -2.382 -2.113) 3.362 12.535 ( 7.427 -8.714 3.444) 11.956 12.616 ( -1.742 3.763 0.188) 4.151 12.669 ( 0.067 7.996 -0.304) 8.002 13.275 ( -2.044 -2.251 4.823) 5.701 13.443 ( 1.433 -0.211 -4.317) 4.554 13.804 ( -1.284 3.485 0.518) 3.750 13.885 ( -0.905 7.511 -3.663) 8.405 14.385 ( -5.041 -7.840 2.608) 9.679 14.590 ( 3.380 -3.156 -2.531) 5.271 15.195 ( -4.247 2.281 3.750) 6.108 15.341 ( -1.563 0.664 -1.469) 2.245 15.437 ( 0.611 1.420 -2.188) 2.679 15.498 ( 5.500 3.472 3.666) 7.466 16.162 ( -2.853 0.155 1.799) 3.376 16.241 ( 0.233 -5.877 0.897) 5.949 16.403 ( -5.636 -0.138 -2.350) 6.108 16.666 ( 9.088 5.596 -2.540) 10.970 17.184 ( -1.890 -1.398 -2.877) 3.715 17.231 ( 2.002 0.771 1.125) 2.422 17.489 ( 0.307 -1.318 2.911) 3.210 17.519 ( -1.862 -0.516 -0.631) 2.033 20.147 ( 1.003 -8.688 0.451) 8.758 20.200 ( 1.093 -0.226 -3.233) 3.420 20.521 ( 1.841 -2.544 1.745) 3.592 20.555 ( -0.585 4.958 -3.279) 5.973 22.671 ( -2.644 6.903 4.146) 8.475 22.755 ( -1.373 -5.369 3.006) 6.305 22.967 ( 2.005 9.906 -2.318) 10.370 23.004 ( 1.654 -7.483 -2.806) 8.161 28.083 ( -4.624 -11.474 0.329) 12.375 28.252 ( 1.238 15.907 -0.045) 15.956 28.319 ( -2.895 9.242 0.429) 9.694 28.519 ( 10.955 -14.332 -2.571) 18.222 31.068 ( -4.242 3.712 2.400) 6.127 31.120 ( -1.447 -3.819 2.780) 4.941 31.237 ( -1.189 6.157 -0.522) 6.292 31.328 ( 0.475 -5.170 -3.284) 6.143 31.540 ( -2.695 -2.749 0.090) 3.851 31.662 ( 0.163 -0.094 3.286) 3.292 31.788 ( -3.974 5.613 -4.741) 8.353 32.305 ( 17.136 -3.517 -11.969) 21.196 33.186 ( -1.306 -5.037 3.625) 6.341 33.305 ( 0.576 -0.578 -4.750) 4.820 33.489 ( -0.076 -2.216 4.850) 5.333 33.623 ( 1.162 6.490 -4.165) 7.798 35.486 ( -1.951 -0.263 1.638) 2.561 35.539 ( 0.453 -0.387 -0.299) 0.667 35.846 ( -4.490 0.518 8.302) 9.453 36.010 ( 0.631 -1.570 -1.769) 2.448 36.370 ( -4.938 -2.332 4.843) 7.299 36.601 ( -1.293 -0.328 3.192) 3.460 37.511 ( -3.819 6.010 2.653) 7.599 37.889 ( 7.902 -1.811 -7.884) 11.309 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 3.017 0.000 -4.279) 5.236 1.942 ( -32.479 -0.000 -5.948) 33.019 2.164 ( 2.243 0.000 -3.221) 3.925 2.193 ( 10.933 0.000 -19.120) 22.025 2.711 ( -8.736 -0.000 -2.710) 9.147 2.750 ( 13.482 0.000 4.536) 14.224 2.789 ( -11.341 -0.000 -1.676) 11.464 2.918 ( 1.923 0.000 -4.041) 4.475 2.987 ( -4.035 -0.000 -0.418) 4.057 3.214 ( 14.567 0.000 -8.827) 17.033 3.647 ( 0.221 0.000 1.121) 1.142 3.699 ( 14.271 0.000 7.924) 16.323 3.788 ( -8.304 -0.000 -0.138) 8.305 3.922 ( 5.237 0.000 4.731) 7.057 4.189 ( 4.527 0.000 6.897) 8.250 4.421 ( -5.164 -0.000 -1.226) 5.307 4.436 ( -0.772 -0.000 8.368) 8.404 4.744 ( -9.635 -0.000 -3.771) 10.347 4.996 ( 4.220 0.000 -0.518) 4.252 5.025 ( -0.288 -0.000 -1.493) 1.521 5.137 ( -0.468 -0.000 8.415) 8.428 5.350 ( -2.474 -0.000 -2.755) 3.703 5.553 ( 9.494 0.000 0.180) 9.495 5.757 ( -10.224 -0.000 -6.008) 11.859 6.026 ( -5.127 -0.000 1.996) 5.502 6.065 ( 7.457 0.000 -1.526) 7.611 6.324 ( -1.941 -0.000 5.047) 5.408 6.352 ( 5.838 0.000 3.155) 6.636 6.699 ( -2.331 -0.000 1.566) 2.809 6.725 ( -1.251 -0.000 2.114) 2.456 7.807 ( -0.697 -0.000 -1.433) 1.594 8.022 ( -8.972 -0.000 -8.803) 12.569 8.279 ( 6.322 0.000 1.214) 6.438 8.315 ( -1.022 -0.000 -2.698) 2.885 9.067 ( 0.722 0.000 4.669) 4.725 9.143 ( 12.019 0.000 9.530) 15.339 9.286 ( 1.218 0.000 -1.479) 1.916 9.331 ( -3.299 -0.000 -3.445) 4.770 9.464 ( -3.304 -0.000 0.078) 3.305 9.633 ( -0.112 -0.000 1.767) 1.770 9.823 ( -5.999 -0.000 -8.202) 10.162 9.937 ( -8.418 -0.000 -6.569) 10.678 10.006 ( 7.810 0.000 2.261) 8.131 10.311 ( -0.685 -0.000 -4.159) 4.215 10.698 ( -8.141 -0.000 -0.030) 8.141 10.983 ( 1.619 0.000 -9.756) 9.889 11.167 ( 2.705 0.000 2.682) 3.809 11.185 ( -4.639 -0.000 9.059) 10.178 11.371 ( -1.234 -0.000 -2.875) 3.129 11.636 ( -4.246 -0.000 -8.550) 9.546 11.777 ( 3.596 0.000 1.140) 3.773 11.834 ( -6.267 -0.000 -1.586) 6.464 12.408 ( 6.347 0.000 8.247) 10.407 12.463 ( 2.508 0.000 2.106) 3.275 12.577 ( 1.794 0.000 -0.432) 1.846 12.597 ( 5.104 0.000 0.569) 5.135 12.834 ( 0.315 0.000 -2.385) 2.406 12.837 ( 7.366 0.000 -0.123) 7.367 13.307 ( -1.537 -0.000 4.815) 5.054 13.485 ( -3.415 -0.000 -2.663) 4.330 13.551 ( 2.055 0.000 4.006) 4.502 13.658 ( -2.459 -0.000 -2.780) 3.712 14.428 ( 2.162 0.000 -0.206) 2.171 14.450 ( -0.802 -0.000 -1.374) 1.591 14.778 ( 11.408 0.000 13.074) 17.351 15.014 ( 0.340 0.000 -0.327) 0.472 15.053 ( 3.915 0.000 11.656) 12.296 15.221 ( 2.476 0.000 -1.141) 2.726 15.666 ( 0.935 0.000 -3.802) 3.915 16.247 ( -6.485 -0.000 -15.608) 16.901 16.748 ( 0.856 0.000 3.080) 3.197 16.794 ( 1.710 0.000 1.238) 2.111 16.949 ( -0.809 -0.000 3.798) 3.883 17.013 ( 2.427 0.000 1.550) 2.880 17.294 ( 2.701 0.000 3.254) 4.228 17.509 ( -5.228 -0.000 -3.980) 6.571 19.797 ( 4.493 0.000 -4.089) 6.075 19.921 ( -7.787 -0.000 -7.895) 11.089 20.925 ( -2.360 -0.000 0.102) 2.362 20.957 ( 1.148 0.000 -1.004) 1.526 22.120 ( -0.196 -0.000 6.923) 6.925 22.357 ( 0.619 0.000 -3.517) 3.571 23.323 ( -2.925 -0.000 2.451) 3.816 23.464 ( 2.234 0.000 -3.521) 4.170 26.968 ( -0.060 -0.000 0.210) 0.219 26.972 ( 0.071 0.000 0.039) 0.081 29.420 ( 2.798 0.000 1.381) 3.121 29.562 ( -3.302 -0.000 -4.566) 5.635 30.589 ( 7.263 0.000 16.995) 18.482 30.781 ( -0.263 -0.000 3.359) 3.370 30.792 ( 2.762 0.000 2.621) 3.808 31.261 ( 5.405 0.000 -2.963) 6.164 31.445 ( -0.825 -0.000 2.919) 3.033 32.013 ( 0.903 0.000 -4.783) 4.868 32.143 ( -2.117 -0.000 -3.186) 3.825 32.381 ( 2.206 0.000 -18.362) 18.494 32.810 ( 2.655 0.000 -0.820) 2.779 33.065 ( 0.141 0.000 -32.480) 32.480 33.623 ( -5.191 -0.000 7.794) 9.364 33.966 ( 9.549 0.000 -8.411) 12.725 35.380 ( -0.541 -0.000 2.794) 2.846 35.485 ( 0.378 0.000 -1.783) 1.823 35.713 ( -6.389 -0.000 5.461) 8.404 35.931 ( 5.369 0.000 -4.213) 6.824 36.244 ( -5.749 -0.000 1.832) 6.033 36.280 ( 2.923 0.000 -0.432) 2.955 37.671 ( -0.620 -0.000 39.660) 39.665 38.839 ( -7.323 -0.000 -13.332) 15.211 ======================= Grid point 170 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -22.241 3.148 -4.454) 22.900 1.703 ( -15.958 -3.849 1.545) 16.488 2.079 ( 9.558 5.544 -11.071) 15.642 2.312 ( 8.258 -1.132 -14.451) 16.683 2.611 ( -17.645 -5.093 0.746) 18.380 2.657 ( -5.804 -6.043 7.474) 11.228 2.855 ( 2.246 -5.807 -3.902) 7.349 3.075 ( 1.731 -0.616 -5.139) 5.458 3.184 ( 8.424 -19.035 1.294) 20.856 3.350 ( 8.086 -9.921 -4.457) 13.553 3.599 ( 0.204 5.148 2.021) 5.535 3.772 ( -1.362 -4.005 -4.411) 6.112 3.817 ( 9.234 5.029 7.776) 13.078 3.932 ( 2.251 2.810 1.984) 4.111 4.215 ( -2.136 1.078 4.998) 5.541 4.336 ( -8.973 0.104 -3.744) 9.723 4.516 ( 3.689 -0.423 9.623) 10.314 4.671 ( 1.385 1.202 -3.705) 4.134 4.951 ( 2.576 3.863 2.904) 5.477 5.028 ( -1.485 -0.585 -3.148) 3.529 5.248 ( 2.419 -4.110 5.718) 7.446 5.332 ( 1.513 0.485 -0.025) 1.588 5.602 ( -11.700 0.018 -3.569) 12.232 5.714 ( 7.910 -5.100 0.122) 9.412 5.940 ( -4.684 5.673 -0.347) 7.365 6.057 ( 2.580 4.355 -3.361) 6.076 6.279 ( -3.355 5.618 5.011) 8.242 6.400 ( 3.760 1.065 0.604) 3.955 6.662 ( -0.611 3.605 4.664) 5.926 6.719 ( -1.345 0.119 0.920) 1.634 7.813 ( 2.774 0.257 2.920) 4.035 7.919 ( -7.627 -0.821 -8.698) 11.598 8.244 ( -0.392 3.797 -0.475) 3.846 8.334 ( 5.301 0.362 -2.073) 5.703 9.052 ( 0.322 4.904 6.121) 7.849 9.180 ( 4.868 6.560 2.546) 8.556 9.247 ( -4.183 0.757 -4.044) 5.867 9.285 ( -2.997 -1.862 -8.122) 8.856 9.546 ( 6.624 -3.151 11.357) 13.520 9.639 ( -1.788 0.477 1.253) 2.235 9.768 ( -2.837 -2.588 -3.616) 5.274 9.884 ( -7.237 -5.189 -10.507) 13.773 10.131 ( 7.895 -3.370 7.943) 11.695 10.293 ( -4.081 -2.876 -6.688) 8.346 10.622 ( -5.828 3.487 2.748) 7.326 10.884 ( 0.918 5.832 -8.275) 10.166 11.128 ( -0.636 5.246 7.275) 8.992 11.239 ( 0.213 1.573 5.681) 5.899 11.308 ( -2.108 1.617 -4.491) 5.218 11.530 ( 0.911 2.782 -7.939) 8.461 11.818 ( -6.798 -3.858 -1.596) 7.978 11.846 ( 4.274 -3.295 1.771) 5.680 12.288 ( -3.799 11.762 3.150) 12.756 12.467 ( 4.273 8.243 -2.052) 9.509 12.531 ( -1.586 4.456 0.554) 4.762 12.598 ( 4.136 2.260 1.960) 5.105 12.838 ( 0.697 0.729 -1.262) 1.616 12.855 ( 3.472 -0.225 -0.994) 3.618 13.280 ( -1.299 3.156 6.017) 6.918 13.484 ( 0.319 1.031 -4.000) 4.143 13.645 ( 2.997 -6.350 4.093) 8.128 13.678 ( -3.625 -6.250 -0.524) 7.244 14.464 ( 3.156 -0.782 0.853) 3.361 14.512 ( 1.071 -3.425 -3.620) 5.098 14.937 ( -5.792 -3.709 2.616) 7.359 15.002 ( 5.374 -6.282 3.975) 9.173 15.274 ( 1.596 -6.724 2.461) 7.336 15.346 ( 5.407 -13.828 3.682) 15.298 15.753 ( 5.749 -5.056 5.142) 9.223 16.118 ( -4.950 -2.622 -17.302) 18.186 16.685 ( -0.440 7.246 2.363) 7.635 16.734 ( 2.110 6.147 1.101) 6.592 16.991 ( -0.655 -2.594 2.233) 3.485 17.070 ( 2.228 -3.076 -0.460) 3.826 17.382 ( 1.694 -3.410 3.763) 5.353 17.465 ( -5.236 -2.635 -3.862) 7.019 19.830 ( -4.979 -1.125 -6.113) 7.964 19.856 ( 6.223 -3.637 -3.027) 7.818 20.841 ( -2.351 6.470 1.485) 7.042 20.935 ( 1.920 3.803 -1.718) 4.594 22.226 ( -0.042 -7.117 6.948) 9.946 22.404 ( 0.399 -6.731 -3.970) 7.825 23.243 ( -3.992 6.821 3.380) 8.596 23.428 ( 2.917 4.050 -3.665) 6.192 27.081 ( -1.659 -12.138 0.513) 12.262 27.140 ( 4.470 -17.100 0.172) 17.675 29.305 ( 2.662 14.555 3.360) 15.173 29.404 ( -5.217 10.897 -6.269) 13.611 30.810 ( -1.163 -4.010 3.436) 5.408 30.856 ( 4.180 -8.415 15.361) 18.007 30.859 ( 3.797 -4.095 2.202) 6.003 31.316 ( 4.943 -2.787 -3.876) 6.872 31.492 ( 2.244 -1.854 4.979) 5.768 31.908 ( -0.744 6.463 -12.053) 13.697 32.021 ( -0.842 6.762 0.149) 6.816 32.327 ( -1.939 -4.403 -28.183) 28.591 32.875 ( 0.575 -5.072 -3.226) 6.038 32.925 ( -4.594 -4.437 -12.860) 14.358 33.611 ( -4.003 1.896 6.786) 8.103 33.960 ( 7.978 3.294 -7.349) 11.336 35.403 ( -0.917 -1.394 2.540) 3.039 35.478 ( -0.016 -0.336 -1.565) 1.600 35.718 ( -6.296 -2.475 6.031) 9.063 35.965 ( 3.744 -1.143 -3.136) 5.016 36.270 ( -0.518 -5.375 -0.272) 5.407 36.310 ( 4.358 -0.366 0.216) 4.378 37.815 ( 1.211 9.806 38.695) 39.937 38.604 ( -6.177 9.676 -16.838) 20.379 ======================= Grid point 171 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -7.569 -12.722 1.903) 14.925 1.687 ( -18.479 -8.270 2.955) 20.460 2.027 ( 9.079 -0.129 -9.724) 13.304 2.281 ( 5.205 -1.751 -7.091) 8.969 2.564 ( -16.903 -4.186 4.889) 18.086 2.817 ( -8.157 -9.922 -0.962) 12.880 3.027 ( 1.389 0.111 -3.070) 3.371 3.134 ( -5.859 -20.510 -1.437) 21.379 3.443 ( -0.287 0.224 -0.797) 0.876 3.491 ( 5.214 -0.459 -5.182) 7.365 3.609 ( 8.325 -6.823 2.263) 10.999 3.739 ( -1.171 6.351 1.676) 6.672 3.861 ( 5.690 -6.323 -6.440) 10.670 3.909 ( -0.048 2.587 1.323) 2.906 4.203 ( -1.373 -0.418 0.653) 1.577 4.290 ( -2.331 1.119 4.026) 4.785 4.575 ( 3.953 2.494 6.988) 8.407 4.685 ( 5.341 -1.912 -1.635) 5.904 4.897 ( -3.488 3.454 -1.763) 5.215 5.090 ( 6.399 -4.454 0.521) 7.814 5.286 ( 1.131 2.393 0.012) 2.647 5.355 ( 6.989 0.249 1.878) 7.242 5.553 ( -5.794 -1.999 3.274) 6.948 5.753 ( -0.419 7.814 -3.670) 8.644 5.872 ( -0.051 -0.618 2.842) 2.908 5.935 ( -4.284 0.828 -4.983) 6.623 6.144 ( -5.478 7.732 4.455) 10.471 6.375 ( 4.038 3.336 -3.004) 6.038 6.611 ( -2.639 3.772 4.113) 6.174 6.720 ( 1.944 1.223 0.955) 2.487 7.819 ( -5.218 0.739 -4.465) 6.907 7.878 ( 3.473 0.036 3.199) 4.722 8.189 ( -1.311 0.321 1.332) 1.896 8.348 ( 3.077 -1.152 -5.626) 6.515 8.977 ( 0.072 4.738 4.334) 6.421 9.099 ( 4.369 5.110 -0.389) 6.734 9.199 ( -4.116 -1.505 -1.249) 4.557 9.336 ( 2.499 -3.800 -2.033) 4.981 9.612 ( -2.188 0.564 1.307) 2.610 9.624 ( 2.160 2.681 1.983) 3.973 9.785 ( -3.283 1.183 1.501) 3.798 9.878 ( -1.331 -3.888 -5.532) 6.891 10.245 ( -6.266 -2.002 -1.061) 6.663 10.318 ( 0.321 -5.948 1.993) 6.281 10.517 ( -3.004 5.306 3.455) 7.008 10.724 ( 1.716 8.504 -4.756) 9.894 11.078 ( 0.283 5.670 6.869) 8.911 11.156 ( 0.008 2.387 0.260) 2.401 11.325 ( 0.537 -1.450 1.472) 2.135 11.478 ( 3.332 1.323 -5.067) 6.207 11.813 ( -8.883 -0.651 -2.870) 9.358 11.953 ( 2.138 -4.006 2.279) 5.081 12.116 ( -4.723 1.189 1.620) 5.133 12.334 ( 3.050 6.173 -3.163) 7.577 12.420 ( -0.801 6.212 1.221) 6.381 12.545 ( 4.705 6.425 -2.103) 8.237 12.801 ( -2.911 1.334 -1.358) 3.478 12.893 ( 4.555 1.911 2.013) 5.335 13.249 ( -2.843 1.993 4.812) 5.934 13.435 ( 3.020 1.385 -3.885) 5.112 13.733 ( -8.956 -6.223 -3.026) 11.318 13.861 ( 4.582 -8.522 5.340) 11.051 14.418 ( -5.357 7.045 -5.445) 10.391 14.507 ( 4.631 -0.638 0.265) 4.683 15.033 ( -4.301 -7.519 2.437) 8.998 15.168 ( 3.755 -7.384 0.953) 8.339 15.436 ( 0.423 -4.657 3.755) 5.997 15.598 ( 2.829 -10.038 -4.413) 11.324 15.912 ( -0.223 -6.330 4.776) 7.932 16.090 ( 1.619 -0.984 -5.795) 6.097 16.556 ( -1.585 6.777 1.003) 7.032 16.728 ( 9.570 -1.682 -1.799) 9.882 17.043 ( -1.191 -3.499 1.051) 3.843 17.149 ( 3.202 -4.341 -2.494) 5.943 17.428 ( -3.317 -1.897 1.458) 4.090 17.486 ( -1.322 -2.311 -0.090) 2.663 19.842 ( -1.457 -5.859 -1.973) 6.351 19.980 ( 6.744 -6.443 -4.020) 10.156 20.701 ( -2.485 8.074 2.997) 8.964 20.833 ( 1.890 7.567 -2.488) 8.187 22.409 ( -2.045 -9.249 5.192) 10.802 22.543 ( 1.241 -10.084 -3.828) 10.858 23.103 ( -3.170 7.670 5.649) 10.039 23.323 ( 3.349 7.904 -4.018) 9.478 27.344 ( -3.682 -18.633 0.424) 18.998 27.622 ( 15.820 -25.873 0.250) 30.327 29.024 ( -2.686 18.628 -0.492) 18.827 29.056 ( -2.074 19.491 -2.373) 19.744 30.885 ( -1.210 -4.946 1.243) 5.242 30.961 ( 2.620 -5.449 0.267) 6.052 31.121 ( -3.718 -8.412 7.400) 11.804 31.395 ( 2.528 -4.221 -0.561) 4.952 31.548 ( 2.641 2.162 3.448) 4.851 31.711 ( -0.874 4.863 -10.853) 11.924 31.936 ( -1.124 4.107 2.618) 4.999 32.191 ( -1.505 -2.500 -25.102) 25.271 32.928 ( -5.104 -7.664 -1.561) 9.340 33.044 ( 1.105 -9.552 -0.942) 9.662 33.571 ( -3.088 3.354 5.732) 7.324 33.890 ( 5.672 6.131 -6.200) 10.402 35.437 ( -1.634 -1.886 2.004) 3.200 35.487 ( 0.076 -1.521 -1.049) 1.849 35.766 ( -6.138 -3.876 7.270) 10.273 35.982 ( 1.655 -0.155 -1.253) 2.082 36.333 ( 3.176 0.235 1.860) 3.688 36.426 ( 4.218 -8.674 -3.404) 10.228 37.780 ( -1.418 14.166 29.982) 33.191 38.255 ( -2.384 13.651 -17.655) 22.444 ======================= Grid point 172 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -15.964 -10.847 1.692) 19.374 1.839 ( -3.884 -17.727 1.739) 18.231 2.129 ( 4.818 -8.667 -8.701) 13.192 2.394 ( 6.668 -5.577 3.137) 9.242 2.628 ( -4.095 -10.360 4.856) 12.153 2.831 ( -0.995 -0.103 0.203) 1.021 3.082 ( -3.506 -7.329 -6.081) 10.148 3.280 ( -12.527 -2.036 -6.907) 14.449 3.357 ( -2.868 3.638 -3.423) 5.761 3.521 ( 3.765 -1.337 0.805) 4.075 3.604 ( 0.780 4.401 -0.079) 4.470 3.742 ( -1.454 -0.812 -0.606) 1.772 3.864 ( 6.879 6.810 3.226) 10.203 3.976 ( 1.686 -5.515 -5.612) 8.047 4.206 ( 3.129 0.595 -1.741) 3.630 4.296 ( -5.916 -1.970 9.202) 11.116 4.626 ( 5.785 1.863 9.073) 10.921 4.746 ( 6.572 2.037 -3.852) 7.886 4.781 ( -3.703 0.096 -5.009) 6.229 5.157 ( 6.732 3.010 -3.240) 8.055 5.236 ( -1.377 1.761 -1.216) 2.545 5.455 ( 12.899 2.065 4.405) 13.786 5.548 ( -3.786 7.847 -0.921) 8.761 5.632 ( 1.483 -5.708 2.043) 6.242 5.805 ( -7.185 -1.489 -3.815) 8.271 5.970 ( -8.057 -2.100 0.774) 8.362 6.038 ( -1.468 1.298 7.756) 8.000 6.335 ( 5.159 2.608 -3.380) 6.696 6.549 ( -2.327 2.940 3.112) 4.873 6.698 ( 3.412 3.223 -1.658) 4.978 7.743 ( -4.388 0.455 -3.154) 5.424 7.887 ( -0.469 1.548 2.268) 2.785 8.195 ( -4.341 -0.738 -2.416) 5.023 8.419 ( 5.440 -6.988 -3.325) 9.459 8.967 ( 5.844 3.072 7.004) 9.625 9.083 ( 2.127 -0.385 -0.787) 2.301 9.201 ( -1.666 -0.875 2.829) 3.397 9.394 ( 1.862 -1.274 -0.335) 2.281 9.540 ( 0.276 4.739 -1.977) 5.142 9.621 ( 2.136 2.216 -0.248) 3.087 9.716 ( -8.408 -3.760 -0.672) 9.235 9.914 ( 1.580 0.816 2.414) 2.998 10.205 ( -6.015 -0.071 -3.605) 7.013 10.323 ( -5.086 3.505 2.106) 6.526 10.485 ( 1.673 1.871 1.613) 2.983 10.592 ( 1.154 2.431 -4.048) 4.860 11.021 ( -2.120 2.975 5.812) 6.864 11.202 ( 4.481 -2.985 2.149) 5.797 11.361 ( 1.013 -1.598 1.442) 2.379 11.473 ( 3.449 -0.087 -1.432) 3.735 11.650 ( -10.752 5.586 -1.987) 12.278 12.008 ( -1.446 0.668 -0.326) 1.626 12.148 ( -0.908 -3.495 -2.991) 4.689 12.321 ( 0.340 3.739 0.351) 3.771 12.383 ( 3.381 -8.868 0.759) 9.521 12.459 ( 5.904 4.766 -2.037) 7.856 12.716 ( -1.561 5.109 -0.083) 5.343 12.847 ( 2.751 7.926 2.291) 8.697 13.246 ( -2.880 -1.216 4.977) 5.877 13.438 ( 3.981 -0.294 -3.905) 5.584 13.739 ( -8.336 -5.122 -3.620) 10.432 13.964 ( -0.786 4.358 -1.268) 4.607 14.256 ( -7.266 -1.495 -1.085) 7.497 14.571 ( 4.907 -2.323 -0.568) 5.459 15.133 ( -3.904 -6.395 1.847) 7.717 15.352 ( 6.720 -5.601 3.011) 9.252 15.412 ( -2.356 4.823 -1.703) 5.632 15.682 ( 3.724 2.736 -0.011) 4.622 16.021 ( -5.686 -6.165 -4.397) 9.470 16.137 ( 0.718 -7.185 5.982) 9.377 16.418 ( -3.716 6.694 -0.990) 7.720 16.830 ( 13.593 2.015 -3.457) 14.170 17.107 ( -0.832 -3.860 -2.547) 4.699 17.234 ( 2.814 -2.996 0.592) 4.153 17.442 ( -3.560 -1.974 -1.946) 4.512 17.511 ( -0.414 -1.284 4.148) 4.362 19.983 ( 0.562 -9.786 1.361) 9.896 20.126 ( 5.652 -6.378 -5.469) 10.126 20.571 ( -1.729 5.585 3.567) 6.849 20.678 ( 1.009 9.069 -3.106) 9.639 22.568 ( -4.694 -8.876 3.708) 10.704 22.714 ( 2.037 -8.581 -2.922) 9.291 22.989 ( -1.315 6.232 4.955) 8.070 23.161 ( 3.231 10.385 -3.663) 11.476 27.678 ( -3.776 -21.545 0.124) 21.874 28.217 ( 21.210 -22.384 -1.305) 30.864 28.592 ( -6.506 19.890 -8.117) 22.446 28.713 ( 0.332 21.359 7.397) 22.606 30.974 ( -3.927 -6.234 -0.102) 7.368 31.089 ( 1.771 -5.778 0.160) 6.045 31.203 ( -3.218 -4.234 0.914) 5.396 31.360 ( -4.233 5.420 -6.249) 9.292 31.508 ( 0.490 3.115 0.999) 3.308 31.682 ( 1.365 -0.062 -0.600) 1.493 31.811 ( -7.059 4.319 0.101) 8.276 32.239 ( 10.988 -8.609 -10.526) 17.482 33.047 ( -3.756 -9.004 1.670) 9.898 33.217 ( 2.314 -7.832 -0.884) 8.215 33.515 ( -2.775 2.996 4.765) 6.275 33.761 ( 3.260 8.413 -5.587) 10.612 35.463 ( -1.881 -1.418 1.380) 2.730 35.518 ( 0.171 -1.869 -0.262) 1.895 35.828 ( -5.980 -3.106 8.037) 10.489 35.994 ( 1.505 -0.411 -0.245) 1.579 36.358 ( 1.002 0.425 3.400) 3.570 36.565 ( 1.333 -4.799 -1.163) 5.114 37.674 ( -2.765 10.708 13.855) 17.728 37.938 ( 2.374 8.637 -12.997) 15.785 ======================= Grid point 178 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -32.604 -0.000 -6.058) 33.162 1.513 ( -23.524 -0.000 4.123) 23.883 2.171 ( 5.692 0.000 -6.428) 8.585 2.204 ( -19.446 -0.000 -0.323) 19.448 2.517 ( 8.648 0.000 5.396) 10.193 2.735 ( -1.505 -0.000 -2.784) 3.165 2.857 ( -2.839 -0.000 -1.957) 3.449 2.935 ( -0.223 -0.000 -0.530) 0.575 3.025 ( 16.231 0.000 -1.393) 16.291 3.304 ( 9.073 0.000 -9.590) 13.201 3.677 ( 0.497 0.000 1.413) 1.498 3.687 ( -2.748 -0.000 -1.088) 2.955 3.942 ( -7.659 -0.000 -0.097) 7.660 4.007 ( 12.909 0.000 2.736) 13.195 4.207 ( -7.888 -0.000 6.746) 10.379 4.250 ( -2.067 -0.000 -6.144) 6.482 4.639 ( 5.242 0.000 12.838) 13.867 4.680 ( 4.702 0.000 -4.116) 6.249 4.990 ( 1.207 0.000 -2.815) 3.063 5.029 ( -0.258 -0.000 -2.705) 2.717 5.242 ( 0.035 0.000 9.059) 9.059 5.317 ( 0.882 0.000 0.812) 1.198 5.539 ( -4.124 -0.000 -7.067) 8.182 5.689 ( 0.433 0.000 3.580) 3.606 5.990 ( 1.426 0.000 0.463) 1.499 6.106 ( 0.644 0.000 -1.399) 1.540 6.341 ( -3.679 -0.000 2.755) 4.596 6.409 ( -0.398 -0.000 -1.310) 1.369 6.712 ( -1.922 -0.000 0.844) 2.099 6.717 ( 0.762 0.000 4.447) 4.512 7.815 ( -6.384 -0.000 -6.504) 9.113 7.876 ( 6.502 0.000 6.867) 9.457 8.269 ( -0.365 -0.000 -1.390) 1.437 8.359 ( 3.371 0.000 -2.949) 4.479 9.095 ( -2.655 -0.000 2.668) 3.764 9.190 ( -3.885 -0.000 -5.738) 6.929 9.232 ( -5.296 -0.000 -3.471) 6.332 9.303 ( 0.310 0.000 0.384) 0.494 9.638 ( -2.048 -0.000 2.053) 2.899 9.645 ( 11.189 0.000 13.257) 17.348 9.704 ( -0.246 -0.000 -1.348) 1.370 9.731 ( -1.828 -0.000 -6.766) 7.009 10.181 ( -5.765 -0.000 -9.264) 10.911 10.189 ( 5.259 0.000 4.943) 7.217 10.634 ( -5.171 -0.000 6.295) 8.147 10.908 ( 3.272 0.000 -6.906) 7.642 11.232 ( -1.489 -0.000 4.403) 4.648 11.267 ( 4.037 0.000 4.397) 5.969 11.346 ( 0.513 0.000 3.647) 3.683 11.515 ( 1.392 0.000 -7.415) 7.545 11.715 ( -6.780 -0.000 -1.399) 6.923 11.863 ( 4.056 0.000 2.280) 4.653 12.414 ( -7.733 -0.000 -0.144) 7.734 12.515 ( -1.348 -0.000 -1.425) 1.961 12.570 ( 1.825 0.000 -0.538) 1.903 12.664 ( 0.102 0.000 1.434) 1.438 12.798 ( 1.239 0.000 -7.889) 7.986 12.872 ( 0.392 0.000 -2.601) 2.630 13.372 ( 0.082 0.000 6.970) 6.971 13.456 ( 0.789 0.000 -2.176) 2.315 13.610 ( -0.182 -0.000 -0.778) 0.799 13.616 ( 2.949 0.000 1.676) 3.393 14.437 ( 1.399 0.000 -1.643) 2.158 14.474 ( 3.620 0.000 -0.155) 3.623 14.911 ( -2.188 -0.000 5.486) 5.907 14.991 ( -1.809 -0.000 -4.738) 5.072 15.171 ( -1.264 -0.000 -0.139) 1.272 15.239 ( 0.405 0.000 -1.668) 1.716 15.860 ( 13.140 0.000 14.991) 19.935 15.889 ( -10.092 -0.000 -24.049) 26.081 16.771 ( -0.732 -0.000 1.049) 1.279 16.806 ( -0.199 -0.000 -1.160) 1.177 16.972 ( -0.940 -0.000 2.631) 2.794 17.053 ( 1.768 0.000 -0.963) 2.013 17.359 ( -6.657 -0.000 -4.999) 8.324 17.391 ( 2.021 0.000 6.330) 6.645 19.748 ( -3.890 -0.000 -4.967) 6.309 19.884 ( 8.968 0.000 1.078) 9.033 20.896 ( -1.669 -0.000 0.551) 1.757 20.979 ( 2.432 0.000 -0.044) 2.432 22.200 ( 0.469 0.000 6.710) 6.727 22.316 ( 0.192 0.000 -4.549) 4.553 23.300 ( -3.244 -0.000 2.551) 4.126 23.467 ( 2.795 0.000 -2.934) 4.052 26.970 ( -0.038 -0.000 0.180) 0.184 26.974 ( 0.070 0.000 -0.033) 0.077 29.440 ( -5.471 -0.000 -3.950) 6.748 29.475 ( 0.679 0.000 2.475) 2.567 30.782 ( -0.056 -0.000 5.112) 5.112 30.860 ( 3.356 0.000 0.515) 3.395 30.890 ( 2.375 0.000 13.050) 13.264 31.299 ( 6.026 0.000 -15.664) 16.783 31.530 ( 2.198 0.000 9.938) 10.178 31.808 ( -6.851 -0.000 -33.763) 34.451 32.072 ( -3.611 -0.000 -1.431) 3.884 32.142 ( -2.092 -0.000 -8.619) 8.869 32.761 ( -7.308 -0.000 -8.330) 11.081 32.820 ( -1.123 -0.000 0.512) 1.234 33.635 ( -2.833 -0.000 5.384) 6.083 34.007 ( 7.409 0.000 -7.887) 10.821 35.396 ( -1.448 -0.000 2.579) 2.958 35.467 ( 0.151 0.000 -2.076) 2.081 35.681 ( -5.339 -0.000 5.368) 7.571 35.975 ( 6.025 0.000 -4.095) 7.285 36.209 ( -1.338 -0.000 1.396) 1.934 36.358 ( 6.421 0.000 1.027) 6.503 38.195 ( 8.779 0.000 40.868) 41.801 38.536 ( -6.488 -0.000 -19.042) 20.117 ======================= Grid point 179 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( -21.370 -12.910 0.500) 24.972 1.438 ( -24.077 -8.125 10.750) 27.591 2.109 ( -25.528 -10.964 5.048) 28.238 2.176 ( 7.576 2.196 1.374) 8.007 2.422 ( 0.771 13.695 -4.109) 14.319 2.717 ( -2.101 -10.943 5.626) 12.483 2.805 ( -2.651 5.417 -1.380) 6.186 3.016 ( 0.970 -3.300 -9.185) 9.808 3.340 ( 10.100 -13.979 -1.742) 17.333 3.429 ( 9.076 -9.707 -5.489) 14.379 3.620 ( 0.321 2.830 -0.982) 3.013 3.702 ( -2.482 -1.922 -0.535) 3.185 3.852 ( -5.270 1.524 0.243) 5.491 3.997 ( 6.123 6.325 -6.415) 10.893 4.193 ( -5.891 -0.253 6.316) 8.640 4.288 ( 6.147 -3.513 -1.619) 7.263 4.703 ( 2.120 0.059 6.507) 6.844 4.711 ( 7.322 1.590 0.758) 7.531 4.922 ( 1.179 3.522 -4.496) 5.832 5.077 ( 2.943 -3.161 2.611) 5.046 5.349 ( -0.290 -2.035 -2.339) 3.114 5.352 ( -0.269 -5.088 5.832) 7.744 5.447 ( 3.073 3.463 -1.624) 4.906 5.749 ( -6.049 -5.896 2.120) 8.709 5.925 ( 1.913 8.802 -1.182) 9.085 6.027 ( -1.725 7.170 -0.740) 7.412 6.253 ( -5.862 5.176 1.422) 7.949 6.401 ( -0.655 -0.293 -3.414) 3.488 6.668 ( -1.980 3.578 1.127) 4.241 6.752 ( 1.537 -0.101 1.657) 2.262 7.747 ( -5.579 -0.557 -3.479) 6.599 7.988 ( 9.165 0.678 10.512) 13.963 8.226 ( 0.494 4.043 -0.055) 4.073 8.334 ( 0.961 1.664 -5.689) 6.005 9.073 ( -2.096 4.127 0.844) 4.705 9.116 ( -3.857 -1.703 -2.554) 4.930 9.188 ( -1.259 -3.075 -1.440) 3.622 9.292 ( -0.073 2.475 2.847) 3.774 9.598 ( -4.172 0.773 -2.566) 4.958 9.684 ( 2.194 1.917 0.753) 3.009 9.735 ( 0.427 -5.059 0.114) 5.079 9.849 ( 2.940 0.580 5.213) 6.013 10.108 ( -5.316 -4.022 -7.461) 10.005 10.265 ( 1.730 -2.485 3.630) 4.727 10.600 ( -4.926 4.061 7.550) 9.887 10.859 ( 4.981 6.264 -2.714) 8.450 11.234 ( 2.144 2.184 2.105) 3.714 11.268 ( 2.125 8.529 6.372) 10.857 11.318 ( 0.606 -0.251 3.252) 3.317 11.501 ( 4.138 1.217 -4.717) 6.392 11.691 ( -6.697 -3.130 -1.527) 7.548 11.925 ( 2.946 -1.942 2.115) 4.114 12.185 ( -11.202 11.567 1.066) 16.137 12.432 ( -1.544 5.932 -5.525) 8.253 12.511 ( -2.217 4.329 -0.305) 4.873 12.642 ( 0.873 1.602 -1.634) 2.449 12.778 ( -2.195 -1.200 -6.355) 6.830 12.885 ( 2.869 -2.138 -1.737) 3.977 13.345 ( -0.784 4.609 7.218) 8.600 13.453 ( 1.582 0.526 -3.831) 4.178 13.606 ( -2.845 -0.052 -1.721) 3.326 13.750 ( 4.120 -9.207 3.013) 10.527 14.446 ( -4.234 3.666 -6.256) 8.397 14.514 ( 2.574 -1.319 -0.043) 2.892 14.859 ( -6.410 -6.327 1.207) 9.088 15.100 ( 4.062 -4.499 1.148) 6.169 15.312 ( 3.341 -17.946 -5.042) 18.938 15.338 ( -1.691 -10.595 -3.484) 11.281 15.770 ( -5.521 -7.543 -14.830) 17.530 16.079 ( 11.122 -3.891 9.300) 15.010 16.677 ( -1.621 7.025 -0.341) 7.217 16.760 ( 1.638 2.731 -1.984) 3.752 16.996 ( -0.792 -1.953 0.342) 2.135 17.091 ( 2.085 -3.427 -1.757) 4.379 17.326 ( -5.448 -3.741 -2.852) 7.198 17.460 ( -0.124 -2.026 5.340) 5.713 19.739 ( -0.749 -3.395 -1.333) 3.723 19.970 ( 8.730 -0.457 1.557) 8.879 20.828 ( -1.816 6.115 2.011) 6.688 20.956 ( 2.599 4.954 -0.981) 5.680 22.289 ( -1.389 -5.320 4.562) 7.145 22.363 ( 0.872 -7.422 -4.473) 8.710 23.233 ( -2.780 5.641 5.004) 8.037 23.440 ( 3.452 4.053 -3.385) 6.309 27.066 ( -0.846 -10.423 0.258) 10.460 27.245 ( 10.365 -26.355 -1.695) 28.370 29.243 ( -5.827 13.658 -4.133) 15.414 29.376 ( -0.185 12.327 3.496) 12.815 30.803 ( -3.120 -1.421 -2.731) 4.383 30.908 ( 2.714 -2.553 -1.257) 3.932 30.999 ( -3.199 -4.022 1.168) 5.270 31.236 ( -5.729 -10.101 -18.947) 22.222 31.622 ( 4.039 -0.504 5.407) 6.768 31.644 ( -1.079 -1.542 -7.885) 8.106 32.029 ( -3.291 0.053 0.459) 3.323 32.045 ( -2.855 5.952 -4.443) 7.958 32.741 ( -6.357 -6.415 -1.179) 9.108 32.888 ( -1.400 -7.830 1.569) 8.107 33.627 ( -1.912 1.883 4.131) 4.927 33.983 ( 5.733 3.491 -7.645) 10.174 35.407 ( -1.850 -1.102 2.091) 3.002 35.462 ( 0.384 -0.653 -1.535) 1.712 35.697 ( -5.005 -2.696 5.819) 8.135 35.994 ( 3.911 0.176 -2.668) 4.738 36.282 ( 2.571 -7.097 -1.011) 7.615 36.407 ( 6.544 1.201 1.698) 6.866 38.275 ( 1.814 16.470 19.228) 25.382 38.337 ( 0.509 10.339 -4.882) 11.445 ======================= Grid point 180 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.370 ( -17.693 -15.741 3.986) 24.014 1.568 ( -11.927 -12.916 16.801) 24.317 2.141 ( 12.467 4.271 -2.127) 13.348 2.342 ( 0.001 -11.703 8.734) 14.603 2.412 ( -7.626 -16.686 6.289) 19.394 2.667 ( -6.597 -1.177 -1.555) 6.879 2.949 ( -4.279 0.862 -8.423) 9.487 2.962 ( -10.558 -15.045 -0.386) 18.385 3.408 ( -0.300 4.352 -7.107) 8.339 3.525 ( 7.958 -0.504 -6.609) 10.357 3.669 ( -4.241 0.133 0.084) 4.244 3.708 ( -0.048 -1.747 -1.621) 2.384 3.855 ( 1.778 -2.256 -1.784) 3.382 3.943 ( 5.484 -0.558 -3.495) 6.527 4.197 ( -6.444 -2.093 5.139) 8.504 4.369 ( 9.259 2.740 1.020) 9.709 4.728 ( 2.900 2.738 -1.230) 4.174 4.767 ( 3.851 -0.750 4.360) 5.865 4.853 ( 6.821 3.908 -2.266) 8.181 5.176 ( 3.196 -3.879 -0.632) 5.066 5.290 ( 0.556 4.120 -1.463) 4.407 5.478 ( 0.453 -5.704 -3.489) 6.702 5.539 ( 2.737 -6.905 7.031) 10.227 5.718 ( 0.043 11.300 -0.484) 11.311 5.783 ( -6.291 0.283 -2.756) 6.874 5.888 ( -2.335 3.473 4.279) 5.985 6.122 ( -5.719 4.870 3.232) 8.177 6.376 ( 2.215 0.764 -4.835) 5.372 6.586 ( -2.851 3.328 1.026) 4.500 6.744 ( 0.896 1.353 -3.730) 4.067 7.705 ( -3.450 -0.106 -0.308) 3.465 8.012 ( 4.178 7.936 5.603) 10.576 8.164 ( -3.261 2.413 -1.261) 4.248 8.348 ( 7.631 -4.175 -0.473) 8.711 9.037 ( -0.583 -0.131 0.488) 0.772 9.100 ( -1.295 0.345 -2.127) 2.514 9.229 ( 3.337 1.370 6.697) 7.607 9.312 ( -5.808 -6.793 0.410) 8.946 9.539 ( -4.746 0.715 -2.148) 5.258 9.650 ( 0.236 2.321 -1.112) 2.584 9.745 ( -1.884 6.346 -1.076) 6.706 9.861 ( 2.183 -6.069 1.165) 6.554 10.154 ( -2.095 -3.127 -1.601) 4.090 10.334 ( -1.260 -2.365 3.458) 4.375 10.499 ( -5.329 6.536 5.190) 9.902 10.733 ( 3.355 9.189 -1.924) 9.970 11.130 ( -0.734 7.368 3.809) 8.327 11.248 ( 2.796 1.930 5.941) 6.844 11.371 ( 2.756 -0.266 0.733) 2.864 11.478 ( 2.639 0.274 -4.101) 4.885 11.649 ( -9.140 2.431 0.296) 9.462 11.920 ( -8.825 -0.868 -0.449) 8.879 12.093 ( 2.649 -4.758 -0.491) 5.468 12.313 ( 0.727 1.829 -2.568) 3.236 12.417 ( -0.295 4.950 0.346) 4.971 12.596 ( 4.851 4.817 -2.418) 7.251 12.748 ( -2.539 -0.202 -2.983) 3.922 12.921 ( 1.775 -0.373 -2.614) 3.182 13.303 ( -0.266 4.491 8.477) 9.597 13.441 ( 3.421 -0.216 -4.281) 5.485 13.574 ( -5.895 -2.473 -3.000) 7.062 13.961 ( 3.470 -7.613 3.714) 9.153 14.207 ( -11.855 7.538 -7.253) 15.810 14.560 ( 2.016 -2.002 0.268) 2.854 14.975 ( -4.834 -7.795 1.094) 9.237 15.263 ( 5.771 -8.919 1.442) 10.721 15.481 ( -1.141 -6.169 -2.840) 6.887 15.559 ( 5.199 -6.545 -4.085) 9.303 15.864 ( -1.721 -9.636 -3.032) 10.247 16.168 ( 1.406 4.592 5.460) 7.272 16.532 ( -0.697 8.152 -1.437) 8.307 16.836 ( 11.977 -8.352 -10.222) 17.824 17.036 ( 0.767 -2.848 -1.013) 3.119 17.181 ( 2.348 -4.984 -0.281) 5.516 17.352 ( -3.701 -3.754 -0.699) 5.318 17.504 ( -2.051 -1.169 4.531) 5.109 19.843 ( 1.354 -7.399 2.094) 7.808 20.059 ( 7.073 -3.151 -1.671) 7.921 20.697 ( -2.386 7.707 3.118) 8.650 20.838 ( 1.946 8.825 -2.072) 9.271 22.396 ( -5.747 -7.631 3.277) 10.099 22.517 ( 1.486 -10.939 -4.519) 11.929 23.139 ( -1.370 6.948 5.588) 9.020 23.336 ( 3.696 8.197 -3.852) 9.783 27.310 ( -1.427 -17.206 0.604) 17.275 27.901 ( 22.933 -29.881 -9.313) 38.801 28.876 ( -3.982 19.381 -2.665) 19.964 29.105 ( -1.862 18.692 5.066) 19.456 30.791 ( -8.653 -8.199 -6.413) 13.536 30.986 ( 2.040 -5.759 -2.480) 6.594 31.051 ( -1.787 -6.951 -5.306) 8.925 31.311 ( -5.779 -4.347 -1.356) 7.358 31.635 ( 2.258 5.797 3.754) 7.266 31.680 ( 2.528 -1.334 1.842) 3.400 31.869 ( -3.660 7.108 -0.606) 8.018 32.083 ( 1.270 -8.416 -3.093) 9.056 32.854 ( -3.750 -9.790 1.629) 10.609 33.065 ( -0.101 -10.447 2.286) 10.694 33.583 ( -1.784 3.614 3.124) 5.099 33.888 ( 3.803 6.523 -7.343) 10.532 35.429 ( -1.513 -1.673 1.507) 2.713 35.482 ( 0.272 -1.812 -0.384) 1.872 35.754 ( -5.633 -4.041 6.574) 9.554 36.007 ( 2.618 -0.008 -0.434) 2.654 36.430 ( 4.999 2.477 2.720) 6.207 36.445 ( 3.336 -8.419 -3.381) 9.666 38.034 ( -6.131 20.021 21.299) 29.868 38.051 ( 1.735 12.777 -15.349) 20.046 ======================= Grid point 187 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -26.625 -0.000 4.506) 27.004 1.204 ( -27.912 -0.000 14.096) 31.269 1.822 ( -36.173 -0.000 21.586) 42.124 2.274 ( 3.615 0.000 11.944) 12.479 2.473 ( -13.179 -0.000 -5.093) 14.128 2.710 ( -7.162 -0.000 -8.335) 10.990 2.932 ( 9.848 0.000 2.373) 10.130 3.016 ( 20.188 0.000 -1.054) 20.215 3.230 ( 10.029 0.000 -6.336) 11.863 3.319 ( 8.729 0.000 -5.707) 10.429 3.633 ( -2.344 -0.000 -5.594) 6.065 3.669 ( -0.925 -0.000 1.821) 2.043 3.829 ( -2.246 -0.000 0.040) 2.246 4.077 ( 1.952 0.000 -4.427) 4.838 4.185 ( -4.292 -0.000 0.844) 4.374 4.262 ( 6.805 0.000 -1.715) 7.017 4.753 ( -4.601 -0.000 9.269) 10.348 4.758 ( 9.586 0.000 -3.381) 10.165 4.947 ( -5.300 -0.000 -1.911) 5.634 5.026 ( 3.132 0.000 -4.317) 5.334 5.340 ( 2.430 0.000 -3.752) 4.470 5.347 ( 4.289 0.000 10.694) 11.523 5.563 ( 11.521 0.000 -1.927) 11.681 5.654 ( -7.197 -0.000 3.968) 8.218 6.008 ( -1.241 -0.000 -4.053) 4.239 6.080 ( -3.785 -0.000 0.496) 3.817 6.214 ( -10.179 -0.000 -5.529) 11.584 6.367 ( -1.306 -0.000 -1.666) 2.116 6.701 ( -1.558 -0.000 1.265) 2.007 6.761 ( -0.215 -0.000 -0.187) 0.285 7.700 ( -2.981 -0.000 2.070) 3.629 8.134 ( 10.972 0.000 11.965) 16.234 8.315 ( 6.031 0.000 1.180) 6.145 8.325 ( -1.216 -0.000 -3.905) 4.090 9.058 ( -2.520 -0.000 -3.415) 4.244 9.091 ( -1.366 -0.000 -1.427) 1.976 9.110 ( -5.840 -0.000 0.942) 5.916 9.292 ( -3.782 -0.000 0.269) 3.791 9.580 ( -1.825 -0.000 -2.260) 2.905 9.696 ( 0.341 0.000 -4.146) 4.160 9.741 ( -1.041 -0.000 3.672) 3.817 9.881 ( 0.043 0.000 3.161) 3.162 10.029 ( 1.946 0.000 -1.057) 2.215 10.280 ( 2.633 0.000 2.567) 3.677 10.651 ( -5.055 -0.000 9.689) 10.929 11.000 ( 11.692 0.000 1.916) 11.848 11.209 ( 0.115 0.000 -3.770) 3.772 11.357 ( 1.916 0.000 1.949) 2.733 11.432 ( -6.821 -0.000 9.507) 11.701 11.504 ( 5.450 0.000 -5.602) 7.815 11.647 ( 1.287 0.000 2.321) 2.654 11.946 ( 3.161 0.000 1.889) 3.683 12.293 ( -9.790 -0.000 -5.668) 11.312 12.452 ( -2.602 -0.000 -5.727) 6.290 12.500 ( -1.858 -0.000 -3.134) 3.643 12.529 ( -9.234 -0.000 -1.578) 9.368 12.769 ( 6.729 0.000 -4.214) 7.940 12.898 ( 2.419 0.000 0.892) 2.579 13.421 ( -3.409 -0.000 4.822) 5.905 13.427 ( 0.165 0.000 -3.209) 3.213 13.611 ( 1.704 0.000 -3.467) 3.863 13.696 ( 3.952 0.000 2.660) 4.764 14.453 ( 2.952 0.000 -1.677) 3.395 14.520 ( 2.105 0.000 -1.159) 2.403 14.659 ( -20.963 -0.000 -26.927) 34.125 14.907 ( -4.640 -0.000 4.153) 6.227 15.123 ( -1.802 -0.000 -0.528) 1.878 15.153 ( -2.760 -0.000 -5.947) 6.557 15.604 ( -1.897 -0.000 -1.530) 2.437 16.212 ( 9.594 0.000 12.135) 15.469 16.742 ( -3.522 -0.000 -0.882) 3.631 16.770 ( -1.551 -0.000 -2.378) 2.839 16.974 ( -0.933 -0.000 0.023) 0.933 17.042 ( 0.620 0.000 -3.819) 3.869 17.233 ( -3.511 -0.000 -1.614) 3.864 17.470 ( -1.415 -0.000 6.080) 6.243 19.707 ( 1.183 0.000 1.124) 1.632 20.075 ( 9.460 0.000 4.865) 10.638 20.890 ( -0.710 -0.000 1.636) 1.783 21.025 ( 3.164 0.000 -0.163) 3.168 22.257 ( -1.236 -0.000 2.187) 2.512 22.271 ( 1.136 0.000 -4.981) 5.109 23.294 ( -2.394 -0.000 4.383) 4.994 23.477 ( 2.471 0.000 -2.999) 3.886 26.970 ( -0.079 -0.000 0.048) 0.093 26.974 ( 0.084 0.000 -0.102) 0.132 29.340 ( -2.616 -0.000 0.024) 2.616 29.487 ( -2.473 -0.000 2.379) 3.431 30.680 ( -25.081 -0.000 -39.804) 47.047 30.816 ( 1.567 0.000 -0.356) 1.607 30.907 ( 2.767 0.000 -1.733) 3.265 31.036 ( -0.414 -0.000 10.641) 10.649 31.617 ( 5.201 0.000 -3.053) 6.031 31.688 ( -2.163 -0.000 15.421) 15.572 31.997 ( -5.293 -0.000 0.218) 5.297 32.115 ( -0.098 -0.000 1.864) 1.866 32.629 ( -5.536 -0.000 1.460) 5.725 32.794 ( -3.844 -0.000 2.093) 4.377 33.652 ( -1.138 -0.000 2.905) 3.120 34.012 ( 4.819 0.000 -8.352) 9.643 35.395 ( -2.133 -0.000 2.376) 3.193 35.452 ( 1.150 0.000 -2.019) 2.324 35.668 ( -3.967 -0.000 4.982) 6.368 36.009 ( 4.891 0.000 -5.376) 7.268 36.230 ( 1.438 0.000 2.172) 2.605 36.486 ( 6.970 0.000 2.308) 7.342 38.265 ( 0.729 0.000 -19.044) 19.058 38.753 ( 11.338 0.000 21.422) 24.237 ======================= Grid point 188 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.000 ( -15.629 -17.558 13.335) 27.025 1.278 ( -15.766 -20.442 18.794) 31.932 1.821 ( -28.405 -15.390 24.383) 40.475 2.322 ( -3.810 -2.089 -1.990) 4.780 2.419 ( 4.543 1.840 10.387) 11.485 2.611 ( -6.475 -2.866 -6.516) 9.622 2.833 ( 1.994 10.101 5.023) 11.456 2.976 ( 7.069 8.629 -8.012) 13.734 3.381 ( 1.976 -3.472 -8.144) 9.071 3.501 ( 10.712 -6.174 -6.617) 14.023 3.621 ( -0.527 -1.622 1.710) 2.415 3.667 ( 0.617 -1.029 -2.347) 2.636 3.850 ( 2.227 -2.034 0.039) 3.016 3.994 ( 5.081 5.030 -7.893) 10.650 4.144 ( -5.528 -1.132 3.056) 6.417 4.393 ( 7.069 -5.810 -1.678) 9.303 4.776 ( -1.237 -0.870 8.108) 8.248 4.835 ( 10.542 -0.871 -2.465) 10.862 4.912 ( 0.186 0.998 -2.690) 2.875 5.062 ( -2.682 -6.584 -2.576) 7.561 5.308 ( 0.811 1.113 -5.792) 5.954 5.404 ( -1.729 0.806 2.478) 3.127 5.586 ( 2.349 2.158 4.274) 5.333 5.712 ( 4.503 -2.574 3.313) 6.155 5.856 ( -5.173 6.935 -4.535) 9.769 6.002 ( -3.332 4.798 2.374) 6.305 6.101 ( -10.221 0.499 -4.513) 11.184 6.356 ( 0.560 -0.563 -2.748) 2.860 6.646 ( -2.678 4.313 -0.154) 5.079 6.733 ( -1.937 1.113 -3.997) 4.579 7.715 ( 1.527 0.664 5.862) 6.094 8.182 ( -3.569 8.568 -3.196) 9.816 8.267 ( 7.834 3.549 9.195) 12.590 8.379 ( 8.487 -0.712 1.380) 8.628 9.001 ( -3.930 0.964 -4.854) 6.319 9.082 ( -0.935 -1.093 1.741) 2.258 9.158 ( -4.290 -4.220 2.395) 6.477 9.252 ( -6.306 -2.596 -1.214) 6.927 9.516 ( -0.278 2.400 -2.445) 3.437 9.663 ( -5.130 0.907 -5.630) 7.670 9.733 ( -3.868 -1.674 3.343) 5.379 9.876 ( 2.414 0.990 1.490) 3.004 10.100 ( 3.758 -1.523 6.198) 7.406 10.326 ( 2.728 -0.876 2.117) 3.562 10.623 ( -4.808 4.948 9.448) 11.699 10.919 ( 2.157 10.581 -3.490) 11.348 11.285 ( 0.925 5.538 1.270) 5.757 11.316 ( -0.854 -1.159 -3.471) 3.758 11.370 ( -2.218 0.746 4.918) 5.447 11.499 ( 1.037 1.472 -3.735) 4.146 11.636 ( 0.136 3.818 3.334) 5.070 11.869 ( -17.254 5.919 -3.828) 18.638 12.068 ( 2.892 -0.540 1.640) 3.369 12.390 ( 2.898 6.348 -0.383) 6.989 12.474 ( -6.192 -1.239 -2.584) 6.823 12.568 ( 5.058 -0.913 0.343) 5.151 12.756 ( 5.468 2.675 -2.551) 6.600 12.923 ( 2.638 -0.796 -0.545) 2.809 13.393 ( -2.919 1.433 6.343) 7.128 13.429 ( 1.110 -0.660 -3.776) 3.991 13.560 ( -0.577 3.592 -2.385) 4.350 13.830 ( 0.681 -8.637 0.458) 8.676 14.237 ( -7.165 7.159 -5.522) 11.536 14.542 ( 1.463 -0.847 -0.378) 1.733 14.795 ( -2.254 -11.658 0.805) 11.901 15.158 ( 2.146 -6.754 -1.776) 7.306 15.224 ( -2.921 -10.438 -3.331) 11.339 15.284 ( 9.747 -35.480 -18.112) 41.011 15.676 ( 0.995 -6.033 5.470) 8.204 16.288 ( 2.224 3.880 5.835) 7.351 16.650 ( 0.834 4.345 -2.331) 5.000 16.734 ( -0.079 -0.244 -4.674) 4.681 16.966 ( -0.653 -2.862 -2.727) 4.006 17.097 ( 1.218 -5.391 -1.815) 5.817 17.259 ( -1.370 -4.205 1.203) 4.583 17.490 ( -3.568 -0.785 4.599) 5.873 19.773 ( 2.900 -3.913 3.689) 6.110 20.121 ( 5.810 3.143 2.805) 7.177 20.832 ( -1.083 6.495 2.731) 7.128 20.984 ( 2.240 6.251 -1.145) 6.738 22.261 ( -6.530 -3.318 1.398) 7.457 22.330 ( 1.643 -7.673 -4.778) 9.187 23.256 ( -2.553 4.409 4.393) 6.727 23.449 ( 2.917 3.725 -4.245) 6.357 27.060 ( -0.290 -9.989 0.339) 9.999 27.369 ( 11.544 -35.697 -12.115) 39.424 29.183 ( 1.404 15.470 2.529) 15.738 29.380 ( -3.500 11.148 2.632) 11.977 30.481 ( -7.971 -10.871 -7.713) 15.531 30.882 ( 1.806 -5.275 -3.570) 6.620 30.943 ( 2.068 -2.959 -2.472) 4.376 31.166 ( -2.372 -7.598 7.281) 10.787 31.658 ( 0.178 -1.868 2.054) 2.783 31.771 ( 3.792 -0.984 6.807) 7.854 31.912 ( -5.941 2.862 -2.224) 6.960 32.051 ( -2.964 6.576 4.546) 8.527 32.682 ( -2.048 -7.455 2.952) 8.276 32.880 ( -2.691 -9.957 2.811) 10.690 33.639 ( -1.119 2.082 2.044) 3.124 33.963 ( 3.532 3.620 -8.553) 9.936 35.401 ( -1.755 -1.095 2.092) 2.942 35.459 ( 1.195 -0.831 -1.055) 1.798 35.689 ( -4.078 -2.447 5.070) 6.951 36.018 ( 3.557 -0.575 -3.830) 5.259 36.318 ( 2.757 -6.126 0.001) 6.718 36.530 ( 5.205 1.972 2.486) 6.096 38.133 ( 6.093 6.025 -16.435) 18.534 38.575 ( -8.135 28.232 13.218) 32.217 ======================= Grid point 196 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.722 ( -9.335 -0.000 21.629) 23.557 1.057 ( -16.995 -0.000 26.953) 31.863 1.705 ( -20.078 -0.000 37.572) 42.601 2.171 ( -11.472 -0.000 -11.999) 16.601 2.355 ( -9.708 -0.000 0.839) 9.745 2.682 ( 11.280 0.000 6.704) 13.122 3.020 ( 0.626 0.000 5.004) 5.043 3.122 ( -3.796 -0.000 -11.475) 12.087 3.373 ( 20.917 0.000 -1.080) 20.945 3.472 ( 11.524 0.000 -2.207) 11.733 3.614 ( 6.743 0.000 -4.249) 7.970 3.658 ( -3.722 -0.000 0.942) 3.839 3.830 ( 1.603 0.000 -1.488) 2.188 4.007 ( -2.230 -0.000 -13.309) 13.494 4.122 ( -0.024 -0.000 2.220) 2.220 4.360 ( 3.818 0.000 1.639) 4.155 4.797 ( -3.498 -0.000 11.135) 11.671 4.812 ( -1.393 -0.000 -0.630) 1.528 4.918 ( 5.936 0.000 -0.637) 5.970 4.988 ( 2.429 0.000 -5.045) 5.599 5.297 ( 0.397 0.000 -7.296) 7.307 5.397 ( -7.885 -0.000 -3.566) 8.654 5.602 ( -4.619 -0.000 2.116) 5.081 5.803 ( 7.297 0.000 0.944) 7.357 5.826 ( -8.215 -0.000 -9.637) 12.663 5.924 ( -5.506 -0.000 -5.105) 7.508 6.095 ( -1.406 -0.000 6.930) 7.071 6.345 ( 1.073 0.000 -1.886) 2.170 6.657 ( -3.899 -0.000 -2.079) 4.418 6.712 ( -3.026 -0.000 -2.169) 3.723 7.798 ( 5.457 0.000 9.033) 10.554 8.241 ( -2.884 -0.000 -6.094) 6.742 8.399 ( 1.369 0.000 -0.757) 1.565 8.429 ( 10.308 0.000 7.459) 12.724 8.982 ( 0.871 0.000 -3.844) 3.942 9.088 ( -10.302 -0.000 2.362) 10.569 9.099 ( -0.453 -0.000 5.127) 5.147 9.111 ( -5.415 -0.000 -6.888) 8.761 9.551 ( -0.098 -0.000 -2.072) 2.074 9.568 ( -4.648 -0.000 -6.333) 7.856 9.708 ( -7.344 -0.000 4.389) 8.556 9.896 ( 3.947 0.000 2.967) 4.938 10.220 ( 10.970 0.000 7.981) 13.566 10.353 ( 2.565 0.000 2.126) 3.331 10.684 ( -3.858 -0.000 8.730) 9.545 11.006 ( -10.465 -0.000 -15.287) 18.526 11.159 ( -2.271 -0.000 -4.017) 4.615 11.336 ( -10.269 -0.000 3.507) 10.852 11.399 ( 4.204 0.000 -1.062) 4.336 11.506 ( 2.894 0.000 -5.382) 6.110 11.739 ( 0.258 0.000 5.551) 5.557 11.752 ( -19.531 -0.000 -5.615) 20.322 12.102 ( 6.319 0.000 4.026) 7.493 12.418 ( 5.080 0.000 -0.345) 5.092 12.484 ( 3.168 0.000 -2.128) 3.816 12.757 ( 15.120 0.000 1.000) 15.153 12.849 ( 1.246 0.000 2.582) 2.867 12.919 ( 0.010 0.000 -0.844) 0.844 13.398 ( 0.074 0.000 -2.585) 2.586 13.425 ( -0.413 -0.000 8.499) 8.509 13.574 ( 0.895 0.000 -5.621) 5.692 13.706 ( -6.355 -0.000 -4.882) 8.013 14.294 ( 12.558 0.000 6.254) 14.029 14.484 ( 3.007 0.000 -1.462) 3.343 14.548 ( 1.568 0.000 -1.526) 2.188 14.873 ( -5.038 -0.000 3.663) 6.228 15.072 ( -0.179 -0.000 -5.118) 5.121 15.127 ( 0.707 0.000 1.913) 2.039 15.692 ( 5.333 0.000 8.899) 10.375 16.366 ( -3.021 -0.000 2.700) 4.052 16.664 ( -2.945 -0.000 -0.750) 3.039 16.708 ( -1.542 -0.000 -4.037) 4.322 16.961 ( -0.169 -0.000 0.354) 0.393 17.005 ( 1.151 0.000 -4.292) 4.444 17.221 ( 1.064 0.000 1.968) 2.237 17.471 ( -5.456 -0.000 3.433) 6.446 19.793 ( 4.436 0.000 5.589) 7.135 20.207 ( 1.481 0.000 1.248) 1.936 20.909 ( -0.090 -0.000 2.648) 2.649 21.055 ( 1.565 0.000 -1.428) 2.119 22.180 ( -8.915 -0.000 -0.117) 8.915 22.246 ( 2.906 0.000 -4.831) 5.638 23.296 ( -3.787 -0.000 3.325) 5.040 23.471 ( 1.720 0.000 -3.696) 4.077 26.970 ( 0.026 0.000 0.139) 0.141 26.974 ( 0.094 0.000 -0.088) 0.129 29.382 ( 2.133 0.000 1.875) 2.840 29.461 ( -3.419 -0.000 1.597) 3.774 30.422 ( 25.047 0.000 10.184) 27.038 30.824 ( 1.100 0.000 -1.771) 2.085 30.923 ( 2.417 0.000 -2.266) 3.313 31.126 ( -2.923 -0.000 9.497) 9.937 31.645 ( 2.119 0.000 -4.596) 5.061 31.726 ( -14.457 -0.000 9.931) 17.539 31.957 ( 0.600 0.000 3.285) 3.339 32.146 ( 0.401 0.000 2.657) 2.687 32.631 ( 2.976 0.000 3.478) 4.577 32.755 ( -4.295 -0.000 2.511) 4.975 33.659 ( -1.271 -0.000 1.500) 1.966 33.972 ( 2.954 0.000 -9.147) 9.612 35.388 ( -2.136 -0.000 2.478) 3.271 35.459 ( 2.212 0.000 -1.421) 2.629 35.666 ( -3.077 -0.000 4.292) 5.281 35.999 ( 2.863 0.000 -6.974) 7.539 36.298 ( 2.592 0.000 4.183) 4.921 36.592 ( 2.663 0.000 1.700) 3.159 38.172 ( 11.982 0.000 -13.755) 18.242 38.794 ( -19.853 -0.000 -5.778) 20.676 ======================= Grid point 197 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.483 ( -5.652 -0.000 -20.492) 21.258 1.483 ( 5.652 0.000 20.492) 21.258 1.833 ( -2.260 -0.000 -21.574) 21.692 1.833 ( 2.260 0.000 21.574) 21.692 2.625 ( 2.505 0.000 -18.312) 18.482 2.625 ( -2.505 -0.000 18.312) 18.482 3.053 ( -4.010 -0.000 -2.266) 4.606 3.053 ( 4.010 0.000 2.266) 4.606 3.534 ( 1.556 0.000 -6.120) 6.315 3.534 ( -1.556 -0.000 6.120) 6.315 3.656 ( -0.466 -0.000 -3.355) 3.387 3.656 ( 0.466 0.000 3.355) 3.387 3.732 ( -0.101 -0.000 -3.683) 3.684 3.732 ( 0.101 0.000 3.683) 3.684 4.245 ( -5.289 -0.000 -4.360) 6.854 4.245 ( 5.289 0.000 4.360) 6.854 4.911 ( -0.805 -0.000 -2.067) 2.218 4.911 ( 0.805 0.000 2.067) 2.218 5.125 ( 1.306 0.000 -3.571) 3.802 5.125 ( -1.306 -0.000 3.571) 3.802 5.275 ( -13.404 -0.000 -14.486) 19.736 5.275 ( 13.404 0.000 14.486) 19.736 5.302 ( -0.428 -0.000 -7.452) 7.465 5.302 ( 0.428 0.000 7.452) 7.465 5.829 ( -4.887 -0.000 -3.875) 6.237 5.829 ( 4.887 0.000 3.875) 6.237 6.353 ( -4.962 -0.000 0.419) 4.979 6.353 ( 4.962 0.000 -0.419) 4.979 6.574 ( -7.178 -0.000 -2.482) 7.595 6.574 ( 7.178 0.000 2.482) 7.595 7.952 ( -4.162 -0.000 0.023) 4.162 7.952 ( 4.162 0.000 -0.023) 4.162 8.500 ( -4.424 -0.000 -5.993) 7.449 8.500 ( 4.424 0.000 5.993) 7.449 8.959 ( -4.030 -0.000 -0.194) 4.034 8.959 ( 4.030 0.000 0.194) 4.034 9.271 ( -2.550 -0.000 -7.097) 7.541 9.271 ( 2.550 0.000 7.097) 7.541 9.354 ( -5.299 -0.000 -3.319) 6.253 9.354 ( 5.299 0.000 3.319) 6.253 9.931 ( 1.540 0.000 -8.276) 8.418 9.931 ( -1.540 -0.000 8.276) 8.418 10.363 ( 2.751 0.000 -1.292) 3.040 10.363 ( -2.751 -0.000 1.292) 3.040 10.718 ( -9.982 -0.000 -1.201) 10.054 10.718 ( 9.982 0.000 1.201) 10.054 11.143 ( 0.563 0.000 -9.571) 9.587 11.143 ( -0.563 -0.000 9.571) 9.587 11.359 ( 4.342 0.000 -3.945) 5.867 11.359 ( -4.342 -0.000 3.945) 5.867 11.811 ( -4.522 -0.000 -0.984) 4.628 11.811 ( 4.522 0.000 0.984) 4.628 12.400 ( -0.523 -0.000 -5.678) 5.702 12.400 ( 0.523 0.000 5.678) 5.702 12.641 ( -9.022 -0.000 -2.864) 9.466 12.641 ( 9.022 0.000 2.864) 9.466 12.860 ( 1.061 0.000 -0.637) 1.237 12.860 ( -1.061 -0.000 0.637) 1.237 13.394 ( -3.799 -0.000 -3.362) 5.073 13.394 ( 3.799 0.000 3.362) 5.073 13.532 ( -2.752 -0.000 -0.050) 2.752 13.532 ( 2.752 0.000 0.050) 2.752 14.506 ( -1.004 -0.000 -0.847) 1.314 14.506 ( 1.004 0.000 0.847) 1.314 14.913 ( 2.532 0.000 -1.391) 2.889 14.913 ( -2.532 -0.000 1.391) 2.889 15.039 ( -15.216 -0.000 -3.975) 15.727 15.039 ( 15.216 0.000 3.975) 15.727 16.114 ( -12.680 -0.000 -5.576) 13.852 16.114 ( 12.680 0.000 5.576) 13.852 16.608 ( -1.757 -0.000 -0.250) 1.775 16.608 ( 1.757 0.000 0.250) 1.775 16.981 ( -1.515 -0.000 -0.027) 1.515 16.981 ( 1.515 0.000 0.027) 1.515 17.368 ( -6.987 -0.000 -2.310) 7.359 17.368 ( 6.987 0.000 2.310) 7.359 20.086 ( -6.129 -0.000 -4.971) 7.891 20.086 ( 6.129 0.000 4.971) 7.891 21.004 ( 0.270 0.000 -2.608) 2.622 21.004 ( -0.270 -0.000 2.608) 2.622 22.152 ( 6.690 0.000 -4.884) 8.283 22.152 ( -6.690 -0.000 4.884) 8.283 23.359 ( 2.564 0.000 -4.315) 5.019 23.359 ( -2.564 -0.000 4.315) 5.019 26.974 ( 0.097 0.000 -0.065) 0.117 26.974 ( -0.097 -0.000 0.065) 0.117 29.433 ( -2.493 -0.000 -0.371) 2.521 29.433 ( 2.493 0.000 0.371) 2.521 30.812 ( 0.141 0.000 -1.185) 1.193 30.812 ( -0.141 -0.000 1.185) 1.193 31.274 ( -28.713 -0.000 6.479) 29.435 31.274 ( 28.713 0.000 -6.479) 29.435 31.537 ( -9.101 -0.000 -0.397) 9.110 31.537 ( 9.101 0.000 0.397) 9.110 32.158 ( -0.212 -0.000 -3.393) 3.399 32.158 ( 0.212 0.000 3.393) 3.399 32.762 ( -8.652 -0.000 2.545) 9.018 32.762 ( 8.652 0.000 -2.545) 9.018 33.732 ( 2.747 0.000 -6.251) 6.828 33.732 ( -2.747 -0.000 6.251) 6.828 35.441 ( 2.514 0.000 -2.479) 3.530 35.441 ( -2.514 -0.000 2.479) 3.530 35.793 ( 2.417 0.000 -6.753) 7.173 35.793 ( -2.417 -0.000 6.753) 7.173 36.526 ( -3.280 -0.000 -4.973) 5.957 36.526 ( 3.280 0.000 4.973) 5.957 38.229 ( -32.009 -0.000 3.302) 32.179 38.229 ( 32.009 0.000 -3.302) 32.179 ======================= Grid point 199 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.542 ( -4.411 -16.537 -18.105) 24.914 1.845 ( 6.341 -18.875 -6.374) 20.907 1.865 ( 10.652 -19.013 -0.557) 21.800 2.050 ( 5.890 -7.757 16.575) 19.225 2.500 ( 3.465 3.233 -20.794) 21.328 2.655 ( -2.432 3.475 11.631) 12.380 2.946 ( -3.734 5.751 -0.968) 6.925 3.009 ( 2.137 6.677 -0.805) 7.057 3.414 ( -4.190 6.387 -2.225) 7.956 3.484 ( -2.413 4.755 -0.212) 5.337 3.549 ( -6.532 2.018 -0.507) 6.855 3.677 ( 1.359 1.606 3.068) 3.720 3.786 ( -2.300 -2.888 -0.256) 3.701 3.864 ( 4.124 -7.488 2.234) 8.835 4.186 ( -3.823 0.419 -2.881) 4.805 4.320 ( 4.282 -0.730 6.739) 8.018 4.902 ( -4.661 3.557 0.148) 5.865 4.939 ( -1.580 -4.426 -1.593) 4.962 5.027 ( -6.956 0.680 -3.567) 7.847 5.106 ( -1.322 2.775 -3.591) 4.727 5.210 ( -9.385 -7.301 -4.541) 12.728 5.305 ( 5.976 -2.182 0.554) 6.386 5.409 ( 8.551 -1.449 7.361) 11.376 5.547 ( 14.937 -8.075 9.071) 19.251 5.754 ( -3.603 1.289 -2.841) 4.766 5.852 ( 2.428 2.220 2.148) 3.929 6.315 ( -3.608 0.495 -0.885) 3.748 6.370 ( -1.673 0.059 -5.158) 5.423 6.478 ( -1.364 4.568 2.950) 5.606 6.591 ( 4.828 4.768 2.368) 7.187 7.924 ( -1.405 0.988 1.018) 1.996 7.967 ( 3.470 3.064 3.588) 5.857 8.390 ( -5.123 4.459 -6.136) 9.153 8.545 ( 3.807 1.283 3.502) 5.329 8.963 ( -5.644 -2.326 0.728) 6.148 9.036 ( 4.424 -5.554 -0.946) 7.164 9.198 ( 0.247 1.043 -6.215) 6.307 9.271 ( -2.913 -0.174 -2.812) 4.052 9.369 ( 5.362 -0.461 4.861) 7.252 9.419 ( 3.776 -0.946 4.004) 5.584 9.905 ( 0.414 -1.124 -8.455) 8.539 9.962 ( -3.725 -1.085 3.604) 5.295 10.322 ( 1.139 4.933 2.573) 5.679 10.343 ( 5.760 5.598 -0.524) 8.049 10.632 ( -7.400 0.684 1.872) 7.663 10.753 ( 6.780 3.771 -1.407) 7.885 11.178 ( -0.428 -5.253 -1.167) 5.398 11.232 ( -0.845 -2.231 4.992) 5.533 11.333 ( 0.819 1.685 2.015) 2.752 11.372 ( 6.845 -0.946 -1.459) 7.062 11.732 ( 0.189 4.649 -3.020) 5.547 11.781 ( 3.590 7.106 -1.058) 8.031 12.314 ( -4.121 2.083 -6.777) 8.200 12.368 ( -5.952 2.576 4.529) 7.910 12.520 ( -6.762 3.462 -2.783) 8.090 12.659 ( 5.270 6.232 2.717) 8.602 12.810 ( -1.939 4.679 -0.693) 5.112 12.848 ( 2.147 1.346 1.282) 2.839 13.396 ( -2.828 -4.055 -2.368) 5.482 13.485 ( -1.600 0.238 3.692) 4.031 13.523 ( 3.389 1.873 -0.494) 3.903 13.554 ( 5.642 -4.677 2.654) 7.794 14.478 ( -5.263 -0.012 -5.255) 7.437 14.543 ( 0.202 -3.216 1.149) 3.421 14.938 ( -5.270 -4.917 -6.257) 9.545 15.008 ( 0.146 -7.133 3.984) 8.171 15.073 ( -10.243 -18.735 2.324) 21.478 15.229 ( 4.836 -9.205 0.593) 10.414 16.020 ( -6.339 -2.539 -6.916) 9.719 16.212 ( 9.875 3.026 3.839) 11.019 16.562 ( -1.863 2.757 2.050) 3.908 16.595 ( 2.392 3.277 1.502) 4.326 16.996 ( -3.308 -3.845 -2.550) 5.677 17.055 ( 1.082 -5.535 1.388) 5.808 17.350 ( -3.826 -4.319 -1.912) 6.079 17.455 ( 6.485 -1.928 1.429) 6.915 20.023 ( -4.974 -1.884 -5.321) 7.524 20.143 ( 3.612 0.935 2.961) 4.764 20.924 ( 0.034 6.928 -2.698) 7.435 20.948 ( -0.614 7.042 2.213) 7.407 22.202 ( -5.363 -7.265 5.570) 10.610 22.242 ( 6.980 -6.491 -4.392) 10.495 23.312 ( 1.823 5.126 -1.601) 5.671 23.321 ( -0.151 4.745 2.656) 5.440 27.100 ( -0.590 -13.543 -2.313) 13.751 27.142 ( 0.192 -17.261 3.978) 17.715 29.296 ( -3.079 12.715 -1.037) 13.124 29.365 ( 5.006 10.203 -0.001) 11.365 30.798 ( -4.639 -1.520 -2.241) 5.372 30.841 ( -0.972 -2.760 2.574) 3.897 31.084 ( -31.628 -7.064 -1.112) 32.426 31.371 ( 3.734 -3.083 -7.494) 8.922 31.570 ( 0.672 -4.355 3.572) 5.673 31.698 ( 20.699 0.457 0.095) 20.704 32.028 ( -2.557 9.645 -2.709) 10.340 32.109 ( 8.229 5.725 -2.763) 10.399 32.823 ( -3.663 -9.961 -2.150) 10.829 32.914 ( 8.234 -9.224 -3.105) 12.748 33.697 ( 2.139 2.658 -4.292) 5.483 33.724 ( -2.569 2.705 6.748) 7.711 35.445 ( -1.848 -1.234 0.906) 2.400 35.456 ( 1.372 -1.279 -1.423) 2.354 35.809 ( 3.117 -3.197 -6.462) 7.855 35.848 ( -2.347 -3.417 7.518) 8.585 36.473 ( -3.937 -0.743 -4.635) 6.126 36.564 ( 1.064 0.537 3.463) 3.663 37.946 ( -28.760 7.587 9.561) 31.243 38.346 ( 28.547 12.331 -1.799) 31.149 ======================= Grid point 200 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( -1.201 -12.530 -16.367) 20.648 2.178 ( 1.738 -8.843 -16.721) 18.995 2.314 ( -6.913 -14.610 -0.523) 16.171 2.347 ( 11.098 -13.983 6.250) 18.915 2.502 ( 10.374 -15.905 -1.835) 19.078 2.639 ( -0.583 2.171 7.924) 8.236 2.797 ( -5.831 3.085 -6.404) 9.194 2.953 ( 1.785 -5.005 -5.327) 7.524 3.276 ( -3.452 4.335 -6.129) 8.263 3.391 ( -1.291 2.581 3.684) 4.680 3.529 ( 1.945 -0.600 4.679) 5.103 3.639 ( 7.784 6.738 4.267) 11.145 3.782 ( -4.831 -0.346 0.101) 4.844 3.985 ( -3.040 -2.592 -0.163) 3.998 4.161 ( 3.047 -0.077 -0.408) 3.075 4.399 ( 0.452 -0.855 7.475) 7.537 4.744 ( -3.647 6.813 -1.062) 7.801 4.911 ( -11.002 1.121 0.748) 11.084 5.004 ( -2.821 4.135 -3.581) 6.154 5.074 ( 4.431 -3.565 1.764) 5.954 5.185 ( -5.532 0.663 -2.115) 5.959 5.434 ( 5.122 -2.247 1.228) 5.727 5.524 ( 6.515 0.150 4.107) 7.703 5.690 ( -0.006 -2.062 -2.695) 3.394 5.794 ( 1.792 -0.357 0.773) 1.984 5.928 ( 10.326 -7.024 5.748) 13.748 6.208 ( -10.564 3.343 -8.116) 13.735 6.298 ( -3.824 -0.266 1.752) 4.215 6.483 ( 5.461 0.992 3.362) 6.489 6.531 ( 2.717 5.603 3.119) 6.964 7.895 ( 0.363 1.807 -0.209) 1.855 7.914 ( -3.797 4.577 -0.376) 5.959 8.248 ( -2.596 4.412 -2.033) 5.508 8.562 ( 2.309 0.452 -0.723) 2.462 8.915 ( -3.500 0.606 -1.009) 3.693 9.131 ( -3.410 -0.486 -0.355) 3.463 9.209 ( 3.277 -3.341 1.522) 4.921 9.333 ( 5.705 -7.247 -2.326) 9.512 9.443 ( 6.727 0.276 4.422) 8.055 9.496 ( 2.754 -2.366 1.545) 3.946 9.860 ( -4.885 0.473 -5.838) 7.627 9.932 ( -1.056 2.206 -0.898) 2.605 10.245 ( 2.358 8.338 0.861) 8.707 10.264 ( 0.591 2.793 0.601) 2.917 10.613 ( 0.360 2.070 5.625) 6.004 10.679 ( 4.353 6.667 -4.748) 9.270 11.153 ( -4.542 3.576 4.001) 7.030 11.324 ( 6.895 -2.853 -3.947) 8.441 11.355 ( 1.248 -2.492 0.784) 2.896 11.441 ( 1.253 1.093 -4.037) 4.366 11.658 ( 4.116 5.449 -1.211) 6.935 11.688 ( 3.877 -0.297 2.723) 4.747 12.199 ( -5.585 3.537 -3.137) 7.317 12.337 ( -4.635 -3.126 2.358) 6.068 12.458 ( 0.578 -0.126 -2.527) 2.596 12.565 ( -1.447 4.636 2.314) 5.380 12.676 ( -4.443 6.735 0.032) 8.069 12.862 ( 3.414 1.465 2.151) 4.292 13.426 ( -5.003 -1.848 1.108) 5.447 13.443 ( 0.867 5.721 -0.804) 5.842 13.492 ( 0.668 -2.976 -2.319) 3.831 13.774 ( 10.479 -5.579 6.342) 13.459 14.360 ( -11.266 -0.006 -11.298) 15.955 14.619 ( -0.551 -4.231 -0.685) 4.321 14.972 ( -2.332 -5.105 -0.752) 5.663 15.189 ( 2.997 -8.701 4.259) 10.140 15.379 ( -5.195 -10.642 7.517) 14.027 15.414 ( -0.517 -10.926 0.734) 10.963 16.020 ( -0.881 -5.253 -8.252) 9.822 16.223 ( 5.234 2.304 1.830) 6.005 16.489 ( -0.940 6.589 -1.266) 6.775 16.598 ( -1.821 -2.425 8.189) 8.732 17.040 ( -3.305 -5.040 -1.649) 6.249 17.167 ( 0.440 -5.096 1.462) 5.319 17.410 ( -1.130 -4.464 -2.376) 5.182 17.533 ( 3.835 -1.526 0.409) 4.148 20.032 ( -2.510 -5.698 -5.270) 8.157 20.142 ( -1.152 0.591 0.035) 1.296 20.759 ( 0.417 9.542 -1.602) 9.684 20.793 ( -0.321 10.187 1.432) 10.292 22.373 ( -3.465 -11.633 5.246) 13.223 22.420 ( 6.067 -9.848 -3.872) 12.198 23.196 ( -0.826 8.204 2.312) 8.564 23.236 ( 2.901 6.799 0.120) 7.393 27.374 ( -1.421 -19.284 -4.086) 19.763 27.583 ( -0.816 -25.137 11.180) 27.523 28.948 ( -4.978 20.357 -1.615) 21.019 29.168 ( 7.479 16.288 -1.689) 18.002 30.812 ( -6.620 -7.943 -3.733) 10.993 30.924 ( -2.021 -5.705 3.711) 7.099 31.046 ( -16.502 -9.102 -1.875) 18.939 31.395 ( -1.191 -2.697 -5.779) 6.488 31.677 ( 5.239 3.674 1.566) 6.588 31.722 ( 3.791 3.586 3.331) 6.191 31.820 ( -6.698 5.301 0.625) 8.565 32.147 ( 21.061 0.109 -9.995) 23.312 32.971 ( -0.764 -10.168 -5.622) 11.644 33.129 ( 4.500 -10.114 -1.664) 11.194 33.623 ( 0.313 5.208 -0.810) 5.280 33.679 ( -1.068 4.158 5.005) 6.594 35.461 ( -1.258 -1.658 -0.407) 2.120 35.489 ( 0.527 -2.024 -0.519) 2.155 35.866 ( 3.363 -3.607 -5.144) 7.125 35.945 ( -1.641 -4.242 6.221) 7.706 36.455 ( -4.244 -2.952 -1.669) 5.432 36.559 ( -1.651 0.728 0.066) 1.806 37.672 ( -20.482 8.186 14.055) 26.155 38.223 ( 21.315 19.090 -5.877) 29.211 ======================= Grid point 201 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( -0.129 -7.331 -11.448) 13.595 2.156 ( 2.874 -1.087 -9.063) 9.570 2.263 ( -11.147 2.156 -7.809) 13.779 2.634 ( -1.084 -2.721 0.468) 2.966 2.655 ( 3.732 -5.008 4.178) 7.514 2.729 ( -5.864 -7.637 -0.172) 9.630 2.965 ( -3.249 -10.476 2.490) 11.247 3.093 ( 9.415 -8.931 -2.423) 13.201 3.134 ( -1.733 2.655 -6.175) 6.941 3.466 ( 7.326 -0.494 4.293) 8.505 3.590 ( 1.992 -7.176 -0.056) 7.448 3.688 ( 3.661 2.556 0.289) 4.474 3.802 ( 6.688 -5.830 8.506) 12.291 3.929 ( -5.701 2.342 -0.250) 6.169 4.196 ( 6.458 1.562 -1.155) 6.744 4.426 ( -4.364 -1.022 2.689) 5.227 4.647 ( 0.759 2.489 -2.381) 3.527 4.774 ( -13.586 3.278 -0.864) 14.002 4.873 ( 1.142 7.011 1.343) 7.229 5.093 ( -1.558 4.302 -0.082) 4.576 5.183 ( 7.053 -0.718 4.736) 8.526 5.434 ( -6.701 0.522 -3.700) 7.672 5.557 ( 9.171 3.882 2.968) 10.391 5.684 ( -2.236 1.467 -0.678) 2.759 5.826 ( 1.698 -2.333 -2.058) 3.544 6.037 ( -9.669 -0.051 -1.291) 9.755 6.120 ( 4.260 -1.644 -0.434) 4.587 6.330 ( 0.817 -3.337 0.608) 3.489 6.511 ( 1.349 1.016 5.764) 6.006 6.531 ( 3.245 -0.758 0.868) 3.443 7.793 ( -3.718 2.958 -1.180) 4.896 7.873 ( -0.595 0.736 0.271) 0.984 8.134 ( -5.051 3.699 -2.855) 6.881 8.536 ( 0.520 1.906 -4.113) 4.563 8.978 ( 6.788 -4.469 4.565) 9.322 9.088 ( -3.565 -0.330 -0.665) 3.641 9.311 ( 3.421 -1.735 3.199) 4.995 9.437 ( 6.679 1.328 -1.579) 6.991 9.513 ( -0.059 -0.338 -1.899) 1.929 9.532 ( -0.883 -1.222 2.886) 3.256 9.779 ( -5.632 -2.928 -4.854) 7.991 9.914 ( 0.905 0.653 2.577) 2.808 10.095 ( -0.031 8.460 -0.599) 8.481 10.279 ( 2.181 -2.388 3.977) 5.126 10.542 ( 3.538 6.636 -4.678) 8.857 10.584 ( -2.161 4.446 -1.189) 5.084 11.100 ( -1.981 1.192 1.522) 2.768 11.300 ( 5.328 5.194 -4.298) 8.593 11.416 ( 1.778 -2.451 -2.210) 3.749 11.443 ( -2.431 -4.252 2.233) 5.383 11.598 ( 4.859 4.702 -0.700) 6.798 11.819 ( 4.256 -4.983 2.846) 7.145 12.105 ( -4.728 -0.082 -0.531) 4.758 12.345 ( -3.091 6.324 -3.018) 7.659 12.472 ( -0.292 -8.067 1.309) 8.178 12.509 ( -3.779 2.545 -0.401) 4.574 12.625 ( 2.035 -2.006 5.517) 6.213 12.840 ( 3.671 5.955 1.297) 7.115 13.346 ( 1.163 3.909 -1.684) 4.412 13.419 ( -3.172 -0.382 1.892) 3.713 13.576 ( -2.067 -7.550 -1.394) 7.951 13.887 ( 4.967 4.846 1.906) 7.196 14.254 ( -4.080 -3.239 -7.403) 9.052 14.652 ( -2.494 -1.381 -0.768) 2.953 15.079 ( 0.283 -7.316 0.907) 7.377 15.382 ( 2.056 -6.849 3.858) 8.126 15.399 ( -2.494 5.153 1.432) 5.901 15.581 ( 1.322 -5.815 3.469) 6.899 16.075 ( -2.672 -4.516 -6.707) 8.516 16.264 ( 3.060 1.680 3.337) 4.829 16.351 ( -0.110 1.046 -4.776) 4.890 16.691 ( -1.990 -2.206 8.993) 9.471 17.079 ( -2.467 -2.192 -0.517) 3.340 17.263 ( 0.396 -4.493 1.499) 4.754 17.429 ( -0.646 0.115 -3.105) 3.174 17.581 ( 1.491 -1.481 0.384) 2.137 20.114 ( -1.471 -6.002 -3.522) 7.112 20.132 ( -2.297 -3.233 -1.686) 4.310 20.581 ( -1.078 9.983 2.060) 10.250 20.639 ( 2.051 6.932 -0.899) 7.285 22.593 ( -0.943 -11.435 2.492) 11.741 22.627 ( 3.354 -10.626 -1.789) 11.285 23.042 ( -1.557 9.261 2.391) 9.690 23.121 ( 2.064 8.085 -0.309) 8.350 27.705 ( -1.287 -21.287 -3.690) 21.643 28.066 ( -2.885 -20.725 12.346) 24.296 28.530 ( -4.712 19.914 -0.121) 20.464 28.897 ( 8.450 18.521 -4.719) 20.898 30.929 ( -2.835 -9.701 -1.902) 10.284 31.043 ( -3.853 -6.855 3.314) 8.533 31.098 ( -4.739 -6.221 -0.095) 7.821 31.382 ( -1.024 -0.591 -5.942) 6.059 31.529 ( 2.470 10.949 1.439) 11.316 31.595 ( -1.557 7.596 -2.084) 8.029 31.906 ( -3.717 -7.357 8.293) 11.693 32.229 ( 15.650 1.217 -10.556) 18.916 33.103 ( 0.085 -8.034 -4.401) 9.161 33.309 ( 1.721 -8.048 -1.749) 8.414 33.512 ( -1.141 6.801 2.379) 7.295 33.622 ( 0.183 3.980 2.356) 4.629 35.476 ( -0.925 -1.121 -0.392) 1.506 35.525 ( 0.337 -1.666 -0.398) 1.746 35.920 ( 2.612 -2.116 -2.475) 4.175 36.019 ( -0.440 -1.776 2.486) 3.087 36.482 ( -6.462 -2.660 4.989) 8.586 36.534 ( 0.428 -1.118 -5.718) 5.842 37.510 ( -10.974 4.492 12.025) 16.888 38.000 ( 12.579 14.375 -7.399) 20.485 ======================= Grid point 202 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 0.000 0.000 0.000) 0.000 2.116 ( -0.000 0.000 0.000) 0.000 2.206 ( 0.000 -0.000 0.000) 0.000 2.641 ( -0.000 0.000 0.000) 0.000 2.740 ( -0.000 0.000 0.000) 0.000 2.771 ( -0.000 0.000 -0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.076 ( -0.000 0.000 0.000) 0.000 3.263 ( 0.000 0.000 0.000) 0.000 3.498 ( -0.000 0.000 -0.000) 0.000 3.607 ( -0.000 -0.000 -0.000) 0.000 3.779 ( -0.000 0.000 0.000) 0.000 3.877 ( -0.000 0.000 0.000) 0.000 3.972 ( -0.000 0.000 0.000) 0.000 4.189 ( -0.000 0.000 0.000) 0.000 4.420 ( -0.000 0.000 -0.000) 0.000 4.610 ( -0.000 0.000 0.000) 0.000 4.659 ( -0.000 0.000 0.000) 0.000 4.821 ( -0.000 0.000 0.000) 0.000 5.045 ( -0.000 0.000 0.000) 0.000 5.278 ( -0.000 0.000 -0.000) 0.000 5.320 ( 0.000 0.000 0.000) 0.000 5.566 ( 0.000 0.000 0.000) 0.000 5.653 ( -0.000 0.000 -0.000) 0.000 5.851 ( -0.000 0.000 0.000) 0.000 5.993 ( -0.000 0.000 0.000) 0.000 6.144 ( -0.000 0.000 0.000) 0.000 6.374 ( 0.000 0.000 -0.000) 0.000 6.534 ( 0.000 0.000 -0.000) 0.000 6.557 ( -0.000 0.000 0.000) 0.000 7.757 ( 0.000 0.000 0.000) 0.000 7.861 ( -0.000 0.000 0.000) 0.000 8.059 ( -0.000 0.000 -0.000) 0.000 8.500 ( -0.000 0.000 0.000) 0.000 9.074 ( -0.000 -0.000 0.000) 0.000 9.111 ( -0.000 0.000 -0.000) 0.000 9.347 ( 0.000 0.000 0.000) 0.000 9.422 ( -0.000 -0.000 -0.000) 0.000 9.461 ( 0.000 0.000 -0.000) 0.000 9.551 ( -0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 9.864 ( -0.000 -0.000 -0.000) 0.000 10.011 ( -0.000 0.000 0.000) 0.000 10.400 ( -0.000 0.000 -0.000) 0.000 10.436 ( -0.000 -0.000 0.000) 0.000 10.488 ( 0.000 0.000 0.000) 0.000 11.088 ( -0.000 0.000 0.000) 0.000 11.263 ( 0.000 0.000 -0.000) 0.000 11.444 ( 0.000 0.000 0.000) 0.000 11.491 ( -0.000 -0.000 0.000) 0.000 11.564 ( -0.000 0.000 0.000) 0.000 11.890 ( -0.000 0.000 0.000) 0.000 12.142 ( -0.000 -0.000 0.000) 0.000 12.200 ( -0.000 0.000 -0.000) 0.000 12.447 ( -0.000 0.000 0.000) 0.000 12.625 ( -0.000 0.000 0.000) 0.000 12.704 ( -0.000 0.000 0.000) 0.000 12.731 ( -0.000 0.000 0.000) 0.000 13.316 ( -0.000 0.000 -0.000) 0.000 13.415 ( -0.000 0.000 0.000) 0.000 13.678 ( -0.000 -0.000 0.000) 0.000 13.792 ( 0.000 0.000 0.000) 0.000 14.274 ( -0.000 0.000 0.000) 0.000 14.647 ( -0.000 0.000 0.000) 0.000 15.214 ( -0.000 0.000 0.000) 0.000 15.269 ( 0.000 -0.000 0.000) 0.000 15.465 ( -0.000 0.000 0.000) 0.000 15.674 ( -0.000 0.000 0.000) 0.000 16.054 ( 0.000 0.000 0.000) 0.000 16.226 ( -0.000 0.000 0.000) 0.000 16.397 ( -0.000 0.000 0.000) 0.000 16.723 ( 0.000 -0.000 -0.000) 0.000 17.084 ( -0.000 0.000 0.000) 0.000 17.330 ( -0.000 0.000 0.000) 0.000 17.393 ( -0.000 0.000 0.000) 0.000 17.604 ( -0.000 0.000 0.000) 0.000 20.128 ( -0.000 0.000 0.000) 0.000 20.199 ( -0.000 0.000 0.000) 0.000 20.468 ( -0.000 0.000 0.000) 0.000 20.580 ( -0.000 0.000 0.000) 0.000 22.726 ( -0.000 0.000 -0.000) 0.000 22.784 ( -0.000 -0.000 0.000) 0.000 22.909 ( -0.000 0.000 0.000) 0.000 23.027 ( -0.000 0.000 -0.000) 0.000 28.066 ( 0.000 0.000 0.000) 0.000 28.068 ( -0.000 -0.000 -0.000) 0.000 28.447 ( -0.000 -0.000 0.000) 0.000 28.657 ( 0.000 0.000 0.000) 0.000 31.021 ( -0.000 0.000 0.000) 0.000 31.097 ( 0.000 0.000 0.000) 0.000 31.165 ( 0.000 0.000 -0.000) 0.000 31.352 ( -0.000 -0.000 -0.000) 0.000 31.431 ( 0.000 0.000 0.000) 0.000 31.496 ( -0.000 0.000 0.000) 0.000 31.995 ( 0.000 0.000 0.000) 0.000 32.239 ( -0.000 0.000 0.000) 0.000 33.180 ( -0.000 0.000 0.000) 0.000 33.398 ( -0.000 -0.000 -0.000) 0.000 33.431 ( 0.000 0.000 0.000) 0.000 33.584 ( -0.000 0.000 0.000) 0.000 35.482 ( -0.000 0.000 0.000) 0.000 35.541 ( 0.000 0.000 -0.000) 0.000 35.946 ( -0.000 0.000 0.000) 0.000 36.035 ( -0.000 0.000 0.000) 0.000 36.489 ( -0.000 0.000 0.000) 0.000 36.540 ( 0.000 0.000 -0.000) 0.000 37.466 ( -0.000 0.000 0.000) 0.000 37.888 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 4.981 0.000 -23.129) 23.660 1.646 ( 12.852 0.000 -25.159) 28.251 1.848 ( 14.021 0.000 15.685) 21.039 2.159 ( 11.842 0.000 14.529) 18.744 2.441 ( 10.316 0.000 -27.367) 29.247 2.711 ( -5.721 -0.000 8.374) 10.141 3.004 ( -0.209 -0.000 -0.091) 0.228 3.110 ( 0.163 0.000 -0.984) 0.998 3.372 ( -16.637 -0.000 -3.162) 16.935 3.468 ( -14.153 -0.000 0.440) 14.160 3.545 ( -4.094 -0.000 0.141) 4.096 3.624 ( 0.305 0.000 3.333) 3.347 3.808 ( 3.070 0.000 3.165) 4.409 3.810 ( 2.040 0.000 0.844) 2.208 4.159 ( -0.632 -0.000 -1.478) 1.607 4.355 ( -0.423 -0.000 3.432) 3.458 4.809 ( -8.192 -0.000 -2.637) 8.606 4.913 ( -2.399 -0.000 1.939) 3.085 4.961 ( -8.165 -0.000 -3.781) 8.998 5.027 ( 0.448 0.000 -9.185) 9.196 5.146 ( -1.365 -0.000 5.574) 5.739 5.363 ( 8.214 0.000 0.318) 8.221 5.545 ( 14.318 0.000 8.064) 16.432 5.650 ( 11.281 0.000 12.326) 16.710 5.728 ( -0.301 -0.000 -2.582) 2.600 5.874 ( -3.291 -0.000 0.597) 3.344 6.294 ( -5.757 -0.000 -9.482) 11.093 6.308 ( -1.698 -0.000 1.165) 2.059 6.568 ( 5.523 0.000 5.488) 7.786 6.677 ( 2.930 0.000 1.609) 3.343 7.913 ( -3.552 -0.000 -0.198) 3.558 8.080 ( 6.192 0.000 7.046) 9.380 8.396 ( -1.648 -0.000 -2.362) 2.880 8.550 ( -4.111 -0.000 -2.805) 4.977 8.948 ( -5.762 -0.000 -0.965) 5.843 8.967 ( 4.188 0.000 4.902) 6.447 9.197 ( 5.916 0.000 -6.864) 9.061 9.225 ( 0.440 0.000 -5.713) 5.730 9.440 ( 4.439 0.000 6.601) 7.955 9.464 ( 3.229 0.000 3.793) 4.981 9.873 ( 4.963 0.000 -8.269) 9.644 9.921 ( -5.821 -0.000 1.069) 5.918 10.374 ( -0.297 -0.000 0.478) 0.563 10.398 ( -3.704 -0.000 -8.086) 8.894 10.665 ( 6.618 0.000 13.685) 15.201 10.820 ( 5.188 0.000 -3.925) 6.506 11.117 ( 3.174 0.000 -0.954) 3.314 11.258 ( -2.425 -0.000 11.375) 11.631 11.384 ( 1.683 0.000 4.280) 4.599 11.421 ( 9.115 0.000 -3.833) 9.888 11.762 ( 3.005 0.000 -2.623) 3.989 11.880 ( 6.737 0.000 -6.574) 9.413 12.231 ( -8.811 -0.000 -7.254) 11.413 12.356 ( -8.787 -0.000 4.550) 9.895 12.494 ( -6.806 -0.000 -2.057) 7.110 12.729 ( -5.891 -0.000 1.203) 6.013 12.877 ( 0.560 0.000 2.372) 2.437 12.897 ( 4.883 0.000 -1.121) 5.010 13.355 ( -0.184 -0.000 0.644) 0.670 13.495 ( -2.446 -0.000 1.631) 2.940 13.541 ( 4.574 0.000 1.516) 4.819 13.573 ( 6.306 0.000 2.838) 6.915 14.471 ( -2.311 -0.000 -0.383) 2.343 14.503 ( -9.618 -0.000 -2.691) 9.988 14.557 ( -17.474 -0.000 -10.288) 20.277 14.935 ( 3.450 0.000 -2.073) 4.025 14.951 ( -1.328 -0.000 5.684) 5.837 15.168 ( 2.167 0.000 -1.478) 2.623 15.893 ( -5.601 -0.000 -8.611) 10.272 16.359 ( 10.414 0.000 2.737) 10.768 16.615 ( 0.513 0.000 3.661) 3.697 16.648 ( 1.739 0.000 1.076) 2.045 16.950 ( -1.919 -0.000 0.542) 1.994 16.982 ( -0.428 -0.000 -1.113) 1.193 17.264 ( -3.006 -0.000 -1.800) 3.504 17.501 ( 6.802 0.000 0.685) 6.836 19.929 ( -5.480 -0.000 -6.202) 8.276 20.201 ( 2.379 0.000 2.063) 3.148 20.973 ( -0.158 -0.000 -2.949) 2.953 21.019 ( -1.300 -0.000 1.996) 2.382 22.126 ( -4.498 -0.000 5.935) 7.447 22.218 ( 7.265 0.000 -3.077) 7.890 23.369 ( 4.132 0.000 -3.445) 5.380 23.380 ( -1.623 -0.000 4.563) 4.843 26.973 ( -0.174 -0.000 0.077) 0.191 26.973 ( -0.052 -0.000 -0.125) 0.135 29.407 ( -0.471 -0.000 -0.755) 0.890 29.490 ( 4.695 0.000 -0.779) 4.759 30.631 ( -30.008 -0.000 -7.690) 30.978 30.792 ( -1.903 -0.000 0.652) 2.012 30.864 ( -5.814 -0.000 3.027) 6.555 31.306 ( -0.640 -0.000 -7.126) 7.155 31.548 ( -0.472 -0.000 3.938) 3.966 31.875 ( 21.225 0.000 -2.918) 21.425 32.114 ( 4.765 0.000 -9.589) 10.708 32.184 ( 0.791 0.000 -0.422) 0.896 32.683 ( -1.884 -0.000 -1.523) 2.423 32.872 ( 13.183 0.000 -9.400) 16.191 33.716 ( 2.772 0.000 -4.170) 5.007 33.769 ( -3.553 -0.000 8.678) 9.377 35.423 ( -2.799 -0.000 1.974) 3.425 35.446 ( 2.136 0.000 -2.731) 3.467 35.770 ( 3.556 0.000 -5.484) 6.536 35.839 ( -2.404 -0.000 7.425) 7.804 36.404 ( -4.448 -0.000 -5.051) 6.730 36.588 ( -1.648 -0.000 2.464) 2.965 37.863 ( -25.666 -0.000 14.261) 29.362 38.689 ( 23.935 0.000 3.516) 24.192 ======================= Grid point 209 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.367 ( 8.919 -15.858 -18.485) 25.936 1.755 ( 13.420 -16.458 -23.878) 31.955 2.108 ( 4.711 -5.633 9.531) 12.032 2.388 ( 18.325 -4.961 0.671) 18.997 2.406 ( 12.788 -4.020 -10.347) 16.934 2.687 ( -6.493 -0.113 3.734) 7.491 2.850 ( -5.863 11.671 -4.925) 13.959 2.960 ( -0.968 8.132 -5.174) 9.687 3.261 ( -7.486 -0.611 -1.254) 7.615 3.385 ( -8.711 -2.185 3.607) 9.679 3.579 ( 1.094 -0.363 5.328) 5.451 3.664 ( -2.844 -4.267 -1.189) 5.265 3.798 ( -1.087 2.634 4.079) 4.976 3.889 ( -2.734 -4.204 1.315) 5.184 4.172 ( 4.639 -0.955 -0.770) 4.798 4.374 ( -4.922 -3.123 1.767) 6.092 4.761 ( -14.398 -2.023 2.443) 14.743 4.850 ( -3.296 4.948 0.267) 5.951 4.934 ( 0.075 -3.018 -2.653) 4.019 5.073 ( 2.812 -5.503 -2.938) 6.842 5.158 ( -1.078 1.223 5.616) 5.847 5.422 ( 4.807 -0.964 -0.255) 4.909 5.662 ( 8.940 1.540 -0.056) 9.072 5.711 ( 6.145 2.132 3.004) 7.165 5.765 ( -5.665 -0.964 1.815) 6.026 5.927 ( 8.607 -5.507 6.508) 12.115 6.168 ( -3.473 4.460 -8.028) 9.819 6.299 ( -1.518 1.075 2.424) 3.055 6.602 ( 5.410 3.844 3.813) 7.654 6.659 ( 1.654 4.440 2.340) 5.285 7.855 ( -4.706 1.475 -4.864) 6.927 8.089 ( 4.907 7.788 5.004) 10.477 8.321 ( -2.418 5.008 0.205) 5.565 8.505 ( -6.234 -2.643 -6.170) 9.161 8.903 ( -2.822 -0.469 2.922) 4.090 9.077 ( -1.420 -3.624 3.394) 5.164 9.205 ( 2.886 0.037 -2.061) 3.547 9.252 ( 10.390 -3.249 -3.405) 11.406 9.482 ( 0.946 -0.318 0.643) 1.187 9.533 ( 5.006 -0.651 5.401) 7.393 9.852 ( 2.077 2.184 -4.284) 5.238 9.910 ( -1.039 -1.837 -3.027) 3.690 10.273 ( -5.655 2.223 -8.125) 10.146 10.351 ( -0.753 1.796 -0.493) 2.009 10.747 ( 5.899 5.690 10.412) 13.251 10.801 ( 5.491 4.700 -4.655) 8.597 11.222 ( 2.728 -6.624 2.737) 7.669 11.241 ( -3.565 4.943 5.766) 8.390 11.406 ( 1.543 1.017 2.267) 2.925 11.482 ( 9.660 -0.145 -2.099) 9.887 11.758 ( -0.114 8.371 -7.198) 11.040 11.788 ( 10.728 2.921 0.537) 11.132 12.162 ( -5.569 -1.299 -6.033) 8.312 12.311 ( -6.424 2.564 5.790) 9.021 12.426 ( -0.910 -1.955 0.403) 2.194 12.647 ( -7.449 5.094 -2.299) 9.313 12.757 ( -2.826 8.090 -2.596) 8.954 12.890 ( -0.615 -0.036 2.381) 2.459 13.361 ( -2.036 -0.194 1.655) 2.631 13.470 ( -1.033 0.765 0.910) 1.575 13.552 ( 2.997 2.338 -2.692) 4.658 13.767 ( 10.413 -8.683 5.983) 14.820 14.249 ( -9.587 3.417 -6.580) 12.119 14.540 ( -0.977 -3.097 -0.026) 3.248 14.773 ( -6.004 -20.674 1.335) 21.569 15.044 ( 0.291 -11.012 3.410) 11.532 15.074 ( -0.606 -11.849 5.832) 13.221 15.236 ( -0.963 -7.578 -1.947) 7.883 15.859 ( -2.798 -5.215 -9.597) 11.275 16.363 ( 5.026 5.819 -0.376) 7.698 16.579 ( -0.540 4.078 3.846) 5.632 16.654 ( 1.676 4.344 3.023) 5.551 16.931 ( -1.466 -2.841 -0.368) 3.218 17.068 ( -0.441 -6.358 0.833) 6.428 17.297 ( -0.615 -5.332 -1.724) 5.638 17.550 ( 4.468 -0.396 -0.761) 4.549 19.887 ( -3.869 -3.651 -6.104) 8.097 20.172 ( -1.946 3.498 -1.154) 4.166 20.895 ( 0.376 6.229 -2.720) 6.807 20.951 ( -1.715 6.828 1.554) 7.210 22.201 ( -3.218 -7.560 6.154) 10.266 22.310 ( 6.537 -5.710 -2.720) 9.096 23.333 ( 1.213 5.405 0.333) 5.550 23.354 ( 0.862 3.997 1.305) 4.292 27.075 ( -0.109 -11.363 -1.097) 11.417 27.184 ( -2.147 -21.242 5.350) 22.010 29.237 ( -2.739 15.585 -1.939) 15.942 29.437 ( 5.427 9.300 -2.220) 10.994 30.510 ( -13.525 -11.233 -5.951) 18.562 30.822 ( -3.058 -4.232 2.058) 5.613 30.878 ( -3.201 -2.900 3.344) 5.463 31.297 ( -1.397 -3.600 -5.126) 6.418 31.609 ( -2.836 -5.517 4.142) 7.459 31.903 ( 4.418 7.469 -0.436) 8.689 31.980 ( 4.331 11.103 -6.737) 13.690 32.217 ( 14.076 -1.835 -10.756) 17.810 32.764 ( 1.173 -8.877 -4.456) 10.002 32.985 ( 8.504 -7.458 -8.425) 14.103 33.695 ( 2.965 2.529 -3.090) 4.974 33.764 ( -3.771 2.804 8.750) 9.932 35.424 ( -1.890 -1.115 0.858) 2.356 35.459 ( 1.345 -1.264 -1.696) 2.506 35.803 ( 4.525 -3.267 -5.339) 7.723 35.890 ( -3.138 -3.286 7.078) 8.411 36.361 ( -4.106 -1.963 -3.437) 5.703 36.557 ( -5.143 1.329 0.415) 5.328 37.738 ( -17.813 5.115 19.316) 26.769 38.696 ( 15.951 16.941 -1.252) 23.302 ======================= Grid point 210 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( 11.845 -10.654 -13.600) 20.946 1.996 ( 6.664 -10.360 -20.855) 24.221 2.109 ( -15.648 0.950 0.565) 15.687 2.568 ( -11.243 -3.451 -7.023) 13.698 2.595 ( 7.843 -8.933 -6.316) 13.461 2.671 ( 15.705 -3.382 0.879) 16.089 2.750 ( 3.148 -2.860 5.884) 7.261 2.991 ( 10.946 -11.347 -4.195) 16.315 3.209 ( -0.377 3.949 5.342) 6.654 3.427 ( -2.814 -4.619 3.563) 6.477 3.608 ( 4.909 2.736 3.797) 6.782 3.714 ( -1.142 -2.860 -1.156) 3.290 3.768 ( -4.211 -1.388 3.403) 5.589 3.926 ( -1.394 -2.156 1.293) 2.875 4.238 ( 3.488 -1.006 -0.001) 3.630 4.389 ( -4.344 -1.343 0.788) 4.615 4.688 ( -9.387 1.222 4.501) 10.482 4.730 ( -1.955 4.151 -1.510) 4.831 4.932 ( -5.031 1.027 -2.905) 5.900 5.132 ( -1.215 1.795 1.660) 2.730 5.220 ( 3.484 -4.383 6.286) 8.418 5.415 ( -3.748 2.321 -0.824) 4.485 5.680 ( 1.307 -2.635 -4.345) 5.247 5.712 ( 1.148 6.198 1.174) 6.411 5.766 ( 3.286 -1.859 -0.711) 3.841 6.003 ( -2.556 5.098 -5.430) 7.874 6.125 ( 8.064 -2.901 2.881) 9.041 6.287 ( -1.182 -0.289 2.457) 2.742 6.575 ( 1.061 3.228 3.572) 4.930 6.621 ( 3.699 3.575 4.074) 6.562 7.765 ( -2.556 1.171 -4.643) 5.428 7.996 ( 3.982 7.762 4.489) 9.811 8.177 ( -5.408 6.400 -1.355) 8.488 8.468 ( -6.604 -3.067 -8.811) 11.430 8.971 ( 3.084 -3.662 5.036) 6.948 9.070 ( -2.152 1.458 0.471) 2.642 9.299 ( 4.455 -5.094 3.080) 7.435 9.387 ( 3.826 -4.799 -2.943) 6.807 9.477 ( -1.820 -1.005 -2.509) 3.259 9.596 ( 5.111 2.284 4.670) 7.290 9.764 ( -2.457 4.904 -2.478) 6.019 9.920 ( 1.586 -1.738 -3.706) 4.390 10.178 ( -1.411 2.326 -3.923) 4.775 10.324 ( 2.104 0.900 2.850) 3.655 10.674 ( 2.435 9.036 -5.601) 10.906 10.688 ( 1.017 7.092 0.722) 7.201 11.146 ( -2.236 4.515 2.855) 5.791 11.333 ( -1.505 -3.546 -0.477) 3.881 11.412 ( -0.590 -0.343 1.505) 1.653 11.431 ( 5.036 7.613 -7.563) 11.855 11.681 ( 3.663 -0.935 -1.218) 3.972 11.855 ( 12.432 1.943 4.400) 13.330 12.100 ( -3.887 1.341 -1.251) 4.298 12.265 ( -6.063 -3.875 1.779) 7.412 12.455 ( -0.451 6.459 -3.317) 7.274 12.554 ( -2.047 0.467 2.145) 3.001 12.647 ( 1.181 -0.271 4.738) 4.891 12.889 ( -2.244 -0.048 0.964) 2.443 13.359 ( -4.684 -1.520 2.348) 5.455 13.457 ( 0.830 5.796 -4.963) 7.676 13.502 ( 2.879 -1.434 3.418) 4.693 14.036 ( 10.876 -8.471 3.177) 14.147 14.095 ( -4.996 4.913 -3.821) 7.981 14.585 ( -1.441 -2.528 -2.006) 3.534 14.977 ( 2.070 -6.967 1.108) 7.352 15.249 ( -2.247 -9.437 3.431) 10.289 15.384 ( -2.612 -9.015 5.511) 10.884 15.419 ( -1.899 -13.919 5.283) 15.009 15.914 ( -1.026 -8.028 -7.250) 10.865 16.290 ( 3.115 3.286 -4.104) 6.111 16.480 ( -0.231 8.501 2.681) 8.917 16.642 ( -3.970 -2.866 7.100) 8.625 17.005 ( -0.463 -4.337 0.961) 4.467 17.175 ( -0.886 -5.653 0.679) 5.762 17.376 ( 0.487 -3.853 -2.265) 4.496 17.574 ( 1.992 -0.454 -1.523) 2.548 19.934 ( -1.805 -7.559 -5.640) 9.602 20.080 ( -4.603 1.075 -2.579) 5.385 20.755 ( 0.850 8.492 -1.026) 8.596 20.796 ( -0.757 9.222 0.619) 9.273 22.391 ( -1.988 -11.501 5.415) 12.867 22.474 ( 5.222 -8.724 -2.752) 10.533 23.211 ( -1.110 8.752 2.538) 9.180 23.266 ( 1.042 6.769 -1.128) 6.941 27.334 ( 0.533 -17.865 -1.743) 17.958 27.650 ( -8.111 -27.030 10.954) 30.272 28.873 ( -1.576 20.517 -1.181) 20.612 29.226 ( 4.890 15.864 -5.542) 17.502 30.696 ( 1.039 -13.878 0.517) 13.926 30.911 ( -2.750 -6.435 3.501) 7.825 30.957 ( -2.058 -6.285 3.336) 7.407 31.336 ( -0.021 -2.868 -2.273) 3.660 31.690 ( -6.387 0.586 0.256) 6.419 31.761 ( 3.667 9.575 -3.820) 10.941 31.800 ( 0.480 2.621 4.171) 4.949 32.283 ( 14.583 -0.271 -16.719) 22.187 32.918 ( 1.797 -9.671 -4.809) 10.949 33.142 ( 1.794 -9.200 -4.882) 10.568 33.637 ( 2.308 5.091 -0.250) 5.595 33.715 ( -2.473 4.351 6.110) 7.898 35.441 ( -0.823 -1.669 0.145) 1.866 35.490 ( 0.675 -1.991 -0.863) 2.272 35.878 ( 4.367 -3.622 -3.900) 6.885 35.967 ( -2.681 -3.947 3.380) 5.847 36.381 ( -4.839 -4.753 1.461) 6.938 36.486 ( -5.069 0.521 -2.384) 5.626 37.631 ( -10.276 7.286 20.751) 24.275 38.389 ( 10.625 22.491 -10.413) 26.966 ======================= Grid point 211 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 11.570 -6.226 -4.630) 13.931 2.031 ( -7.214 -6.897 -0.058) 9.981 2.074 ( 3.048 -7.592 -14.743) 16.861 2.509 ( -11.453 -6.127 -5.201) 13.991 2.698 ( -2.547 -1.087 0.156) 2.773 2.757 ( 5.504 -2.319 5.019) 7.801 2.991 ( 5.785 -6.619 1.684) 8.951 3.145 ( 4.571 4.979 4.150) 7.931 3.299 ( 14.637 -4.943 0.453) 15.456 3.552 ( -1.636 -1.437 2.726) 3.489 3.582 ( -0.125 -4.621 -3.606) 5.863 3.715 ( 1.613 1.078 1.300) 2.335 3.859 ( -1.698 -4.474 3.784) 6.101 3.959 ( -1.431 -0.630 -2.183) 2.685 4.189 ( -5.244 2.832 -0.422) 5.975 4.426 ( 6.265 -2.156 -1.131) 6.722 4.635 ( -4.345 1.585 4.908) 6.744 4.688 ( 2.529 1.127 1.066) 2.966 4.803 ( -7.208 3.300 -5.294) 9.532 5.090 ( -1.133 3.277 1.996) 4.001 5.226 ( -7.444 2.217 -1.154) 7.852 5.418 ( 5.397 0.771 9.068) 10.581 5.549 ( -8.428 5.218 -3.687) 10.576 5.684 ( 0.677 1.220 -1.943) 2.392 5.807 ( 1.794 -2.461 -3.652) 4.755 5.981 ( 3.383 -2.831 1.615) 4.697 6.160 ( 1.228 2.100 -0.906) 2.596 6.319 ( 0.212 -2.529 -4.147) 4.862 6.567 ( -1.476 0.813 4.578) 4.878 6.608 ( 2.788 3.694 2.431) 5.227 7.737 ( 0.627 -0.281 -2.063) 2.174 7.927 ( 2.449 4.484 1.356) 5.286 8.087 ( 1.701 1.241 4.175) 4.676 8.434 ( -5.629 -3.766 -5.235) 8.560 9.049 ( -2.802 -0.299 1.223) 3.072 9.071 ( -1.975 -3.292 -0.273) 3.849 9.321 ( -1.494 0.832 -6.389) 6.614 9.428 ( -2.417 0.291 -2.218) 3.293 9.497 ( 1.156 1.383 0.648) 1.915 9.583 ( 1.814 2.938 3.655) 5.028 9.718 ( 4.188 -3.685 -0.933) 5.656 9.963 ( 1.436 -2.652 -1.751) 3.488 10.094 ( 2.069 6.694 3.520) 7.841 10.403 ( 2.855 -2.394 3.524) 5.129 10.492 ( 1.431 6.848 -4.137) 8.128 10.547 ( -1.008 7.107 -1.996) 7.451 11.095 ( -1.325 1.101 1.323) 2.172 11.269 ( -2.626 2.880 -5.681) 6.889 11.403 ( -0.055 -2.647 -2.625) 3.728 11.437 ( -2.513 -2.106 1.932) 3.806 11.669 ( 7.674 5.693 -2.494) 9.875 11.955 ( 5.635 1.947 3.867) 7.106 12.072 ( 0.104 -3.349 3.509) 4.851 12.308 ( -0.948 4.732 0.809) 4.893 12.405 ( -4.047 -7.728 -1.372) 8.831 12.451 ( -4.828 0.139 -0.915) 4.916 12.710 ( 1.170 2.210 1.699) 3.023 12.863 ( 0.000 4.287 -0.024) 4.287 13.335 ( -1.247 2.282 0.079) 2.602 13.380 ( -1.577 -1.679 -1.453) 2.723 13.630 ( 6.233 -5.643 5.687) 10.151 13.936 ( 0.402 9.370 0.353) 9.385 14.249 ( 7.093 -5.294 -0.466) 8.863 14.585 ( -4.286 -2.377 -1.557) 5.143 15.132 ( 3.705 -7.027 1.740) 8.133 15.374 ( -6.161 -4.889 1.484) 8.004 15.392 ( 0.827 5.019 0.183) 5.090 15.640 ( 0.218 -6.658 3.472) 7.512 15.982 ( -0.923 -2.816 -2.263) 3.729 16.291 ( -0.089 -4.865 -6.378) 8.022 16.374 ( 5.374 6.081 3.320) 8.768 16.702 ( -7.601 -2.169 6.120) 9.997 17.067 ( 0.771 -2.346 0.741) 2.578 17.266 ( -1.574 -5.099 -0.344) 5.347 17.406 ( 1.110 -0.084 -0.224) 1.135 17.587 ( 0.220 -0.974 -1.921) 2.165 20.051 ( -1.124 -8.198 -3.542) 9.001 20.072 ( -2.916 -5.613 -1.447) 6.489 20.595 ( -0.786 9.401 2.896) 9.868 20.650 ( 1.563 6.688 -2.201) 7.212 22.613 ( -0.413 -10.789 2.958) 11.195 22.656 ( 2.606 -9.325 -1.531) 9.802 23.045 ( -1.681 9.848 2.605) 10.324 23.122 ( 0.093 8.262 -2.463) 8.622 27.689 ( 2.683 -21.054 -0.977) 21.246 28.084 ( -11.752 -23.571 8.892) 27.799 28.496 ( 1.012 21.463 1.645) 21.550 28.902 ( 2.582 18.445 -9.533) 20.922 30.937 ( 3.534 -8.780 2.721) 9.848 31.041 ( -1.715 -6.996 4.420) 8.451 31.110 ( 2.396 -7.277 4.053) 8.667 31.341 ( 1.502 1.991 -2.492) 3.526 31.544 ( -1.320 6.355 -2.064) 6.811 31.604 ( 4.468 8.972 2.220) 10.266 31.898 ( -6.455 -7.060 4.294) 10.486 32.252 ( 6.128 2.264 -15.348) 16.680 33.080 ( 1.566 -8.790 -1.822) 9.112 33.265 ( -1.693 -7.166 -4.690) 8.730 33.558 ( 1.155 6.069 4.161) 7.448 33.644 ( -0.188 4.744 1.448) 4.964 35.469 ( 0.159 -1.443 0.393) 1.504 35.524 ( 0.263 -1.657 -0.555) 1.767 35.936 ( 1.327 -1.478 -0.856) 2.163 36.010 ( -1.391 -1.811 -1.079) 2.526 36.441 ( -3.293 -3.640 1.263) 5.069 36.483 ( -1.612 -4.680 -0.685) 4.997 37.553 ( -4.835 6.511 16.677) 18.545 38.030 ( 5.719 15.672 -12.683) 20.956 ======================= Grid point 212 (103/114) ======================= q-point: ( 0.62 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 9.083 -1.411 5.578) 10.752 2.129 ( -0.835 -3.597 -3.833) 5.323 2.247 ( 7.946 -10.057 3.647) 13.326 2.501 ( -10.184 -4.469 -6.698) 12.983 2.770 ( -2.289 -5.533 4.869) 7.718 2.815 ( 0.493 -3.496 6.140) 7.083 3.082 ( 4.225 7.822 2.186) 9.155 3.154 ( 12.044 -0.356 4.382) 12.821 3.345 ( 7.982 9.945 -2.961) 13.091 3.446 ( -4.401 7.598 -2.276) 9.071 3.611 ( 1.152 -0.996 -0.831) 1.735 3.692 ( -8.340 6.223 -2.025) 10.601 3.809 ( -6.643 4.845 -6.811) 10.677 3.935 ( 0.771 -1.994 1.566) 2.651 4.143 ( -4.019 0.380 3.482) 5.332 4.448 ( -1.214 1.536 -6.607) 6.891 4.624 ( -1.953 -0.827 3.868) 4.411 4.705 ( -5.473 -4.617 -1.203) 7.260 4.816 ( 12.033 -4.583 0.848) 12.904 5.015 ( -5.333 -0.124 0.346) 5.346 5.178 ( 1.154 0.848 2.868) 3.205 5.409 ( -9.074 0.080 -3.968) 9.904 5.507 ( 6.671 -1.728 3.232) 7.612 5.696 ( 0.496 -0.998 2.929) 3.134 5.835 ( 0.675 -0.315 -0.793) 1.088 6.086 ( 5.061 -2.049 -1.276) 5.608 6.112 ( -2.551 0.607 0.965) 2.794 6.301 ( -2.015 -1.011 -7.654) 7.979 6.536 ( -3.853 4.092 5.251) 7.692 6.554 ( 2.062 3.518 -3.159) 5.158 7.758 ( 2.865 -1.890 -0.074) 3.433 7.912 ( 3.293 0.665 -0.315) 3.374 8.163 ( 5.718 -1.117 6.510) 8.736 8.469 ( -4.011 -4.931 0.959) 6.429 8.962 ( -5.942 2.707 -4.947) 8.192 9.105 ( -0.050 -2.177 0.167) 2.184 9.286 ( -0.716 -0.288 -4.713) 4.776 9.347 ( -9.236 1.355 0.306) 9.340 9.494 ( 2.556 -1.514 -0.590) 3.029 9.564 ( -0.737 1.747 -0.553) 1.975 9.828 ( 0.647 -2.600 -0.095) 2.681 9.979 ( 0.875 -1.382 -5.527) 5.764 10.040 ( 8.523 7.958 8.377) 14.357 10.330 ( 0.009 4.840 -1.000) 4.943 10.455 ( -0.885 -1.218 -1.750) 2.309 10.550 ( 0.269 -3.015 4.240) 5.210 11.096 ( 0.740 -0.850 0.730) 1.343 11.204 ( -4.738 -1.786 -1.779) 5.367 11.418 ( -1.466 -0.778 -1.117) 2.000 11.470 ( -3.692 -3.463 1.227) 5.209 11.601 ( 7.646 6.982 -1.350) 10.442 11.883 ( -3.412 6.023 -0.195) 6.925 12.196 ( 3.210 4.321 3.349) 6.340 12.271 ( 6.129 -7.430 3.677) 10.310 12.405 ( -3.484 -2.446 -2.177) 4.781 12.590 ( -5.239 -11.423 -1.720) 12.684 12.641 ( -1.820 3.035 -2.578) 4.378 12.701 ( -0.999 10.422 -2.408) 10.744 13.331 ( -0.446 -0.426 3.364) 3.420 13.397 ( 0.580 -1.917 -3.620) 4.137 13.778 ( 3.061 9.748 3.548) 10.816 13.808 ( 3.592 -3.220 2.409) 5.392 14.334 ( 4.549 -0.952 4.275) 6.315 14.620 ( -2.250 -4.968 -2.837) 6.147 15.243 ( 2.473 9.063 0.177) 9.396 15.302 ( 4.147 -6.915 1.775) 8.256 15.409 ( -5.569 -0.037 -0.728) 5.616 15.598 ( -5.280 4.222 -4.395) 8.063 16.116 ( 3.468 -8.146 4.388) 9.881 16.259 ( 1.887 5.168 -0.345) 5.513 16.401 ( 2.154 -0.017 0.266) 2.171 16.655 ( -5.974 1.004 -2.878) 6.707 17.119 ( 2.928 -0.803 1.753) 3.506 17.288 ( -2.562 0.101 -2.904) 3.874 17.437 ( 1.963 -1.193 3.820) 4.458 17.581 ( -1.167 0.093 -2.420) 2.688 20.135 ( -0.221 -3.792 1.534) 4.096 20.184 ( -0.195 -4.608 -2.065) 5.053 20.488 ( 0.568 2.062 2.398) 3.213 20.566 ( -0.384 1.169 -1.943) 2.300 22.734 ( 0.851 1.596 0.075) 1.810 22.774 ( -1.512 2.343 0.461) 2.826 22.919 ( 0.804 -0.770 0.786) 1.363 23.002 ( -1.405 -0.181 -2.018) 2.466 28.088 ( 4.490 -15.778 -0.208) 16.405 28.143 ( 3.335 19.864 5.409) 20.855 28.384 ( -6.791 -8.427 0.332) 10.828 28.565 ( -4.798 2.846 -8.181) 9.902 31.080 ( 3.346 0.661 2.170) 4.042 31.146 ( 0.974 -3.171 2.225) 3.994 31.172 ( 3.137 5.219 1.435) 6.256 31.326 ( -0.420 -5.162 -2.515) 5.757 31.511 ( 2.903 -0.568 4.388) 5.293 31.548 ( 6.503 3.358 2.901) 7.873 31.937 ( -3.805 -0.831 -2.926) 4.871 32.152 ( -7.648 1.535 -4.274) 8.895 33.196 ( 0.215 -1.605 2.640) 3.097 33.322 ( -0.949 -3.876 -6.369) 7.516 33.499 ( -0.203 3.859 6.523) 7.581 33.579 ( 1.062 1.541 -2.617) 3.217 35.494 ( 1.058 -0.339 0.632) 1.279 35.539 ( -0.352 -0.061 -0.191) 0.405 35.942 ( -1.259 0.654 1.762) 2.263 36.010 ( -0.825 -0.513 -2.965) 3.120 36.500 ( 5.524 -2.662 -5.281) 8.093 36.549 ( -3.948 -2.301 5.819) 7.399 37.524 ( 3.942 2.286 4.601) 6.475 37.824 ( -4.465 1.810 -4.664) 6.706 ======================= Grid point 214 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 8.110 8.166 10.989) 15.913 2.165 ( -2.964 -2.116 -0.218) 3.648 2.379 ( -0.231 -0.134 -2.002) 2.020 2.478 ( -9.311 -4.916 -2.211) 10.759 2.793 ( 15.941 15.590 1.942) 22.382 2.909 ( 11.270 9.999 10.600) 18.421 2.977 ( -3.682 22.747 -0.076) 23.043 3.088 ( 1.853 -1.003 6.198) 6.546 3.231 ( -3.253 -4.658 -4.135) 7.027 3.268 ( -10.933 2.826 -5.335) 12.489 3.445 ( -6.002 2.519 -0.400) 6.521 3.543 ( -3.027 3.505 -4.880) 6.728 3.812 ( 9.075 -2.956 0.763) 9.575 3.978 ( -5.795 -2.586 -1.138) 6.447 4.156 ( 3.414 -0.674 3.971) 5.281 4.338 ( -6.147 0.821 -9.388) 11.251 4.676 ( 2.348 -4.357 2.037) 5.352 4.771 ( -6.066 -8.088 -2.843) 10.502 5.016 ( 8.818 -5.211 1.448) 10.345 5.055 ( -2.780 -4.192 3.581) 6.175 5.221 ( 5.860 -0.842 2.182) 6.310 5.343 ( -7.763 -1.324 -2.501) 8.263 5.586 ( 8.336 1.401 1.794) 8.641 5.727 ( -2.116 -1.123 0.935) 2.571 5.806 ( 0.961 4.373 0.755) 4.541 5.951 ( -9.594 6.788 -5.768) 13.091 6.232 ( 7.502 -5.248 2.058) 9.384 6.308 ( -0.353 -3.720 -1.713) 4.111 6.452 ( -2.654 3.449 1.697) 4.671 6.474 ( -0.953 3.987 -3.091) 5.135 7.835 ( 2.710 -2.545 2.544) 4.505 7.920 ( 0.145 -0.619 -3.502) 3.559 8.266 ( 7.853 -1.209 7.245) 10.753 8.487 ( -8.074 -1.985 -3.423) 8.991 8.945 ( 7.096 -1.851 3.064) 7.948 9.135 ( -1.644 -2.024 -2.461) 3.586 9.240 ( -5.063 3.136 0.655) 5.991 9.260 ( -6.143 -1.368 -4.083) 7.502 9.500 ( -0.976 4.561 1.354) 4.857 9.516 ( -0.361 2.129 -1.935) 2.900 9.867 ( 4.782 -3.833 -0.947) 6.201 9.956 ( -4.884 -0.177 2.411) 5.449 10.087 ( 7.566 -2.062 0.937) 7.897 10.238 ( -4.470 2.782 -2.084) 5.662 10.539 ( 2.884 -5.172 -0.651) 5.957 10.590 ( -3.505 -2.732 1.768) 4.783 11.138 ( 6.030 -1.467 -2.515) 6.696 11.225 ( -8.931 -3.636 3.482) 10.252 11.437 ( 1.135 -2.394 3.854) 4.677 11.517 ( -0.782 -0.322 -4.025) 4.113 11.531 ( 4.281 2.962 5.116) 7.299 11.703 ( -6.530 7.243 -5.161) 11.034 12.217 ( 6.166 -0.878 4.308) 7.573 12.376 ( -5.838 -0.097 -5.746) 8.192 12.462 ( 4.423 -1.340 5.212) 6.966 12.536 ( 0.564 3.894 -2.568) 4.699 12.609 ( 4.166 -3.984 -0.434) 5.780 12.719 ( -7.629 -8.476 -2.481) 11.671 13.374 ( -0.148 -2.412 4.194) 4.840 13.413 ( 1.168 -1.849 -4.276) 4.803 13.656 ( 3.611 8.552 4.081) 10.140 13.774 ( -4.899 5.227 -4.139) 8.274 14.479 ( 8.234 -3.138 10.512) 13.717 14.649 ( -1.786 -1.379 -4.338) 4.890 15.120 ( 5.391 8.095 1.407) 9.827 15.258 ( -7.256 7.369 -3.699) 10.983 15.436 ( 3.483 -2.499 0.173) 4.290 15.510 ( -3.366 1.105 -2.724) 4.468 16.166 ( 0.811 6.384 3.774) 7.460 16.205 ( -0.566 2.541 -2.665) 3.726 16.438 ( 2.078 -2.589 8.301) 8.941 16.580 ( -1.769 0.049 -10.073) 10.228 17.145 ( 3.549 2.294 2.177) 4.754 17.221 ( -2.373 3.087 -2.435) 4.593 17.482 ( 1.473 0.804 3.161) 3.579 17.539 ( -1.831 1.705 -2.196) 3.329 20.163 ( 0.598 3.628 1.947) 4.161 20.170 ( 0.895 2.435 0.304) 2.612 20.586 ( 1.678 -9.320 -0.850) 9.508 20.611 ( -2.131 -7.918 0.211) 8.203 22.587 ( 1.449 11.768 -1.729) 11.983 22.599 ( -2.498 11.586 1.567) 11.955 23.047 ( 1.982 -8.264 -1.208) 8.583 23.079 ( -2.823 -7.801 -0.085) 8.297 27.802 ( 2.946 22.253 7.122) 23.550 27.941 ( -1.643 22.127 -10.460) 24.530 28.625 ( 7.349 -21.394 0.748) 22.634 28.770 ( -10.113 -20.578 0.134) 22.929 30.995 ( 1.465 8.138 2.741) 8.711 31.035 ( 0.584 7.710 -3.209) 8.372 31.286 ( 13.423 -1.430 1.456) 13.577 31.443 ( -6.342 -6.667 2.087) 9.435 31.530 ( 5.283 1.375 4.796) 7.267 31.624 ( 0.022 -3.266 -1.221) 3.487 31.875 ( 7.121 3.111 -7.439) 10.758 32.031 ( -19.144 0.616 5.170) 19.839 33.170 ( 1.486 6.744 5.137) 8.607 33.255 ( -2.792 6.487 -3.533) 7.897 33.539 ( 1.700 -4.260 1.851) 4.946 33.586 ( -0.761 -3.418 -2.745) 4.449 35.500 ( 1.216 1.122 0.535) 1.739 35.519 ( -0.752 1.482 -0.056) 1.663 35.927 ( -1.276 1.940 4.408) 4.982 35.975 ( -0.064 1.740 -5.052) 5.344 36.532 ( 5.064 1.256 -2.450) 5.764 36.564 ( -2.521 0.365 3.123) 4.030 37.622 ( 16.554 -6.044 -6.945) 18.942 37.829 ( -17.295 -10.305 4.976) 20.738 ======================= Grid point 215 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -11.852 11.367 -13.731) 21.406 1.953 ( 11.852 11.367 13.731) 21.406 2.355 ( 7.957 24.680 -15.146) 30.030 2.355 ( -7.957 24.680 15.146) 30.030 2.529 ( 0.347 1.646 -14.990) 15.084 2.529 ( -0.347 1.646 14.990) 15.084 2.938 ( -5.549 2.213 -1.486) 6.156 2.938 ( 5.549 2.213 1.486) 6.156 3.353 ( -5.996 -6.690 -5.047) 10.304 3.353 ( 5.996 -6.690 5.047) 10.304 3.520 ( -3.531 -6.966 -8.343) 11.428 3.520 ( 3.531 -6.966 8.343) 11.428 3.903 ( -1.693 2.596 -6.885) 7.551 3.903 ( 1.693 2.596 6.885) 7.551 4.242 ( -5.999 -0.443 -6.741) 9.035 4.242 ( 5.999 -0.443 6.741) 9.035 4.848 ( -6.039 -7.594 -2.698) 10.071 4.848 ( 6.039 -7.594 2.698) 10.071 5.100 ( -0.184 0.034 -0.209) 0.281 5.100 ( 0.184 0.034 0.209) 0.281 5.294 ( -5.495 -0.479 -1.851) 5.818 5.294 ( 5.495 -0.479 1.851) 5.818 5.597 ( -12.728 10.406 -4.395) 17.017 5.597 ( 12.728 10.406 4.395) 17.017 5.772 ( -4.253 0.070 -3.090) 5.257 5.772 ( 4.253 0.070 3.090) 5.257 6.364 ( -4.475 0.285 -2.474) 5.121 6.364 ( 4.475 0.285 2.474) 5.121 6.426 ( -6.835 -4.949 -4.118) 9.389 6.426 ( 6.835 -4.949 4.118) 9.389 7.903 ( -0.462 -1.434 -4.722) 4.957 7.903 ( 0.462 -1.434 4.722) 4.957 8.420 ( -9.248 -2.822 -7.427) 12.193 8.420 ( 9.248 -2.823 7.427) 12.193 9.068 ( -4.866 1.641 -5.365) 7.427 9.068 ( 4.866 1.641 5.365) 7.427 9.220 ( -1.831 -0.858 -5.602) 5.955 9.220 ( 1.831 -0.858 5.602) 5.955 9.419 ( -1.528 4.550 -3.955) 6.219 9.419 ( 1.528 4.550 3.955) 6.219 9.965 ( 3.174 -0.599 -5.769) 6.612 9.965 ( -3.174 -0.599 5.769) 6.612 10.198 ( -0.977 -5.749 -0.273) 5.838 10.198 ( 0.977 -5.749 0.273) 5.838 10.638 ( -4.990 -3.883 1.270) 6.449 10.638 ( 4.990 -3.883 -1.270) 6.449 11.215 ( 6.946 -1.968 -4.156) 8.330 11.215 ( -6.946 -1.968 4.156) 8.330 11.420 ( -3.317 8.115 -1.750) 8.940 11.420 ( 3.317 8.115 1.750) 8.940 11.628 ( -0.169 -7.043 -2.563) 7.497 11.628 ( 0.169 -7.043 2.563) 7.497 12.319 ( -1.502 -1.922 -5.557) 6.069 12.319 ( 1.502 -1.922 5.557) 6.069 12.514 ( -1.812 -2.885 -3.414) 4.823 12.514 ( 1.812 -2.885 3.414) 4.823 12.764 ( -5.493 -4.538 -1.473) 7.276 12.764 ( 5.493 -4.538 1.473) 7.276 13.448 ( 2.249 -3.257 -3.565) 5.327 13.448 ( -2.249 -3.257 3.565) 5.327 13.580 ( -6.321 6.925 -5.022) 10.637 13.580 ( 6.321 6.925 5.022) 10.637 14.582 ( -3.799 2.888 -5.106) 6.989 14.582 ( 3.799 2.888 5.106) 6.989 15.071 ( -4.434 4.806 -4.752) 8.083 15.071 ( 4.434 4.806 4.752) 8.083 15.393 ( 4.209 9.973 -3.922) 11.513 15.393 ( -4.209 9.973 3.922) 11.513 16.121 ( -1.981 1.675 -5.737) 6.296 16.121 ( 1.981 1.675 5.737) 6.296 16.532 ( 0.569 -1.482 -5.986) 6.193 16.532 ( -0.570 -1.482 5.986) 6.193 17.119 ( -2.734 4.569 -2.660) 5.952 17.119 ( 2.734 4.569 2.660) 5.952 17.464 ( -2.475 3.665 -1.955) 4.836 17.464 ( 2.475 3.665 1.955) 4.836 20.116 ( -1.690 2.620 -3.231) 4.490 20.116 ( 1.690 2.620 3.231) 4.490 20.776 ( 1.433 -10.362 -3.184) 10.934 20.776 ( -1.433 -10.362 3.184) 10.934 22.382 ( 5.407 11.032 -5.786) 13.580 22.382 ( -5.407 11.032 5.786) 13.580 23.198 ( 3.854 -7.345 -5.279) 9.832 23.198 ( -3.854 -7.345 5.279) 9.832 27.465 ( -1.772 22.075 -7.385) 23.345 27.465 ( 1.772 22.075 7.385) 23.345 29.055 ( -6.614 -18.496 -1.088) 19.673 29.055 ( 6.614 -18.496 1.088) 19.673 30.895 ( -0.592 5.494 -3.241) 6.406 30.895 ( 0.592 5.494 3.241) 6.406 31.391 ( -18.522 3.784 4.238) 19.374 31.391 ( 18.522 3.784 -4.238) 19.374 31.604 ( -1.239 -0.445 -3.340) 3.590 31.604 ( 1.239 -0.445 3.340) 3.590 31.940 ( -1.630 -4.110 -1.416) 4.643 31.940 ( 1.630 -4.110 1.416) 4.643 33.055 ( -2.692 10.375 -3.502) 11.276 33.055 ( 2.692 10.375 3.502) 11.276 33.642 ( 2.219 -4.468 -5.005) 7.067 33.642 ( -2.219 -4.468 5.005) 7.067 35.481 ( 0.571 1.833 -1.251) 2.292 35.481 ( -0.571 1.833 1.251) 2.292 35.894 ( 3.127 3.884 -7.989) 9.417 35.894 ( -3.127 3.884 7.989) 9.417 36.534 ( -0.746 0.967 -3.627) 3.827 36.534 ( 0.746 0.967 3.627) 3.827 37.920 ( -20.290 -12.970 5.752) 24.759 37.920 ( 20.290 -12.970 -5.752) 24.759 ======================= Grid point 219 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.147 ( 16.839 0.000 -19.488) 25.755 1.646 ( 21.996 0.000 -24.093) 32.623 2.227 ( 15.043 0.000 7.483) 16.801 2.417 ( 23.509 0.000 -21.012) 31.530 2.481 ( 6.999 0.000 12.055) 13.939 2.598 ( -6.201 -0.000 -9.281) 11.162 2.982 ( -23.532 -0.000 -1.353) 23.571 3.046 ( -2.053 -0.000 6.316) 6.642 3.068 ( -4.420 -0.000 -5.733) 7.239 3.248 ( -10.939 -0.000 -0.325) 10.944 3.509 ( -1.560 -0.000 4.081) 4.369 3.682 ( -0.341 -0.000 1.804) 1.836 3.829 ( 1.815 0.000 -0.090) 1.817 3.874 ( -2.576 -0.000 10.421) 10.734 4.215 ( 9.070 0.000 -0.997) 9.125 4.268 ( -9.631 -0.000 -1.319) 9.721 4.658 ( -12.134 -0.000 5.658) 13.388 4.885 ( -1.035 -0.000 -0.830) 1.327 4.935 ( 4.450 0.000 -0.595) 4.490 5.004 ( 4.975 0.000 -4.586) 6.766 5.201 ( -2.054 -0.000 7.800) 8.066 5.442 ( 1.102 0.000 -1.184) 1.618 5.615 ( -17.092 -0.000 -3.906) 17.533 5.737 ( 8.896 0.000 -3.309) 9.492 5.867 ( 7.615 0.000 7.801) 10.902 5.981 ( 8.847 0.000 8.900) 12.549 6.187 ( 2.772 0.000 -3.998) 4.865 6.324 ( 1.005 0.000 2.460) 2.657 6.696 ( 3.391 0.000 2.267) 4.079 6.723 ( 1.107 0.000 2.042) 2.323 7.816 ( -2.173 -0.000 -6.128) 6.502 8.239 ( 3.687 0.000 4.987) 6.202 8.339 ( -6.107 -0.000 -0.786) 6.157 8.362 ( -9.050 -0.000 -9.033) 12.787 8.908 ( 0.426 0.000 7.239) 7.252 9.049 ( -0.620 -0.000 3.719) 3.770 9.206 ( 3.882 0.000 -5.399) 6.650 9.305 ( 8.777 0.000 -2.201) 9.049 9.521 ( 0.030 0.000 1.882) 1.882 9.566 ( 3.577 0.000 5.904) 6.903 9.866 ( -1.230 -0.000 1.583) 2.005 9.883 ( 5.125 0.000 -7.385) 8.989 10.179 ( -6.927 -0.000 -10.275) 12.392 10.334 ( -2.480 -0.000 -2.194) 3.311 10.843 ( 6.001 0.000 -6.773) 9.049 10.944 ( -0.724 -0.000 9.546) 9.573 11.151 ( 0.415 0.000 0.617) 0.744 11.314 ( -2.585 -0.000 6.722) 7.202 11.421 ( -2.367 -0.000 1.376) 2.738 11.546 ( 10.320 0.000 -1.470) 10.424 11.818 ( -1.237 -0.000 -12.712) 12.772 11.962 ( 12.806 0.000 5.662) 14.002 12.057 ( 1.264 0.000 1.756) 2.163 12.333 ( -0.768 -0.000 5.692) 5.743 12.436 ( 0.664 0.000 1.928) 2.040 12.550 ( -11.789 -0.000 -0.906) 11.823 12.846 ( -4.883 -0.000 -7.266) 8.754 12.896 ( -1.518 -0.000 1.627) 2.225 13.364 ( -1.182 -0.000 1.754) 2.115 13.512 ( -0.175 -0.000 4.814) 4.817 13.532 ( 2.198 0.000 -5.362) 5.795 13.738 ( 1.170 0.000 0.548) 1.292 14.264 ( 7.332 0.000 7.136) 10.232 14.433 ( -2.150 -0.000 0.106) 2.152 14.508 ( -1.972 -0.000 0.369) 2.006 14.968 ( 3.189 0.000 -1.635) 3.583 15.015 ( 0.296 0.000 6.757) 6.763 15.155 ( 0.989 0.000 -2.892) 3.056 15.728 ( -2.976 -0.000 -9.263) 9.730 16.415 ( -1.855 -0.000 -5.980) 6.261 16.692 ( 2.252 0.000 4.895) 5.388 16.705 ( 3.763 0.000 2.201) 4.360 16.955 ( -0.252 -0.000 3.407) 3.417 16.966 ( 0.226 0.000 -0.099) 0.247 17.231 ( 0.400 0.000 -0.741) 0.842 17.566 ( 2.448 0.000 -2.388) 3.420 19.791 ( -3.185 -0.000 -5.780) 6.599 20.172 ( -5.631 -0.000 -3.190) 6.472 20.939 ( 0.148 0.000 -2.696) 2.700 21.007 ( -2.553 -0.000 1.198) 2.820 22.145 ( -2.217 -0.000 6.420) 6.792 22.289 ( 4.702 0.000 -1.782) 5.029 23.390 ( 3.211 0.000 -3.918) 5.065 23.401 ( -2.119 -0.000 3.936) 4.470 26.971 ( -0.071 0.000 0.012) 0.072 26.971 ( -0.090 0.000 0.045) 0.101 29.375 ( -1.195 -0.000 -2.104) 2.420 29.543 ( 3.981 0.000 -2.489) 4.695 30.315 ( 0.770 0.000 2.106) 2.242 30.779 ( -1.687 -0.000 2.237) 2.802 30.850 ( -3.018 -0.000 3.525) 4.641 31.215 ( -0.923 -0.000 -6.055) 6.125 31.552 ( -4.218 -0.000 3.121) 5.247 31.992 ( 0.537 0.000 -3.197) 3.242 32.135 ( 15.634 0.000 -17.289) 23.309 32.172 ( 0.029 0.000 -2.684) 2.684 32.676 ( 3.585 0.000 -2.233) 4.224 32.926 ( 9.366 0.000 -12.906) 15.946 33.725 ( 4.307 0.000 -4.079) 5.932 33.808 ( -5.249 -0.000 9.859) 11.169 35.407 ( -1.916 -0.000 2.093) 2.838 35.449 ( 1.992 0.000 -2.517) 3.210 35.776 ( 4.603 0.000 -5.013) 6.806 35.873 ( -3.895 -0.000 6.848) 7.878 36.294 ( -3.038 -0.000 -3.555) 4.677 36.518 ( -8.315 -0.000 -0.127) 8.316 37.794 ( -11.158 -0.000 23.875) 26.353 38.943 ( 4.917 0.000 -1.422) 5.119 ======================= Grid point 220 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.394 ( 17.046 -14.958 -13.285) 26.283 1.769 ( 19.890 -9.362 -19.342) 29.281 2.186 ( -7.347 14.707 2.912) 16.696 2.397 ( -9.133 1.330 -12.125) 15.238 2.505 ( 17.266 -1.866 -13.727) 22.137 2.721 ( 3.145 -9.365 2.363) 10.158 2.776 ( 0.924 -1.333 9.946) 10.077 2.911 ( 4.507 4.239 -8.255) 10.316 3.248 ( -3.247 -10.464 7.202) 13.112 3.307 ( -6.291 -7.712 3.451) 10.534 3.566 ( -3.334 -4.330 2.535) 6.024 3.682 ( 0.503 -0.960 1.399) 1.770 3.809 ( -1.840 6.077 5.098) 8.143 3.889 ( 1.924 0.071 2.265) 2.973 4.211 ( -6.665 -1.616 1.661) 7.057 4.327 ( 6.433 -3.858 -2.118) 7.794 4.620 ( -9.828 -1.421 5.545) 11.373 4.834 ( 1.351 4.609 -0.507) 4.830 4.893 ( -2.873 3.184 -3.386) 5.464 5.116 ( 2.003 -5.040 -1.367) 5.593 5.224 ( -0.427 -0.919 8.030) 8.093 5.400 ( -7.193 2.275 -1.351) 7.664 5.524 ( -4.002 -5.489 -5.606) 8.807 5.800 ( 8.555 -0.837 -2.114) 8.852 5.874 ( 1.335 6.295 3.042) 7.118 6.059 ( 0.461 3.500 -1.575) 3.866 6.197 ( 8.479 0.482 4.666) 9.690 6.325 ( 0.126 2.246 3.158) 3.877 6.674 ( 0.815 4.505 0.995) 4.685 6.719 ( 1.537 2.385 3.107) 4.208 7.763 ( 1.031 1.385 -3.844) 4.214 8.187 ( -1.726 6.476 -0.983) 6.774 8.242 ( -3.337 4.977 1.033) 6.081 8.280 ( -7.318 -2.580 -8.516) 11.521 8.967 ( 1.721 -0.501 6.981) 7.207 9.091 ( 0.916 -0.639 1.715) 2.047 9.254 ( 3.454 -3.995 -2.300) 5.760 9.354 ( 3.958 -1.356 -2.421) 4.834 9.464 ( -1.431 2.156 2.791) 3.806 9.674 ( 2.812 -1.518 4.341) 5.390 9.837 ( 1.483 3.142 -2.679) 4.387 9.864 ( 0.626 0.289 -3.421) 3.490 10.116 ( -3.362 -3.582 -6.811) 8.398 10.323 ( -0.207 -1.608 -1.723) 2.366 10.800 ( 5.299 5.125 -8.867) 11.532 10.829 ( -5.647 8.221 1.717) 10.121 11.205 ( -4.851 -0.735 1.999) 5.298 11.287 ( -1.527 1.891 4.194) 4.848 11.399 ( -2.584 0.055 -0.988) 2.767 11.574 ( 2.883 9.292 -10.716) 14.474 11.663 ( 3.136 -1.830 0.560) 3.674 11.996 ( -3.446 -2.428 -4.496) 6.164 12.122 ( 14.893 7.862 7.142) 18.292 12.308 ( -0.971 6.020 5.375) 8.128 12.499 ( -2.477 0.663 1.507) 2.974 12.581 ( 10.799 -5.461 6.113) 13.558 12.665 ( -4.702 5.361 -2.195) 7.461 12.875 ( -2.937 0.847 0.592) 3.114 13.351 ( -2.873 1.169 3.378) 4.586 13.480 ( 1.309 1.835 -2.156) 3.119 13.567 ( 1.932 1.026 0.147) 2.192 13.810 ( -4.284 -10.124 -2.986) 11.391 14.298 ( 9.252 5.791 7.252) 13.104 14.519 ( -1.267 -2.949 -0.595) 3.264 14.799 ( 3.315 -18.612 6.637) 20.036 15.086 ( -3.909 -13.625 4.034) 14.738 15.134 ( 3.548 -7.709 5.301) 10.006 15.230 ( 1.772 -9.452 2.415) 9.916 15.723 ( -1.566 -6.553 -7.420) 10.023 16.311 ( -4.478 2.390 -9.015) 10.346 16.636 ( 2.157 6.904 3.356) 7.974 16.707 ( 0.555 6.093 2.932) 6.785 16.955 ( 1.692 -2.410 2.951) 4.169 17.068 ( -0.954 -5.405 0.785) 5.544 17.296 ( 2.223 -4.957 -0.088) 5.433 17.563 ( 0.209 -0.534 -3.410) 3.458 19.782 ( -1.267 -4.305 -4.748) 6.533 20.056 ( -7.500 2.953 -5.091) 9.534 20.878 ( 1.074 5.242 -2.271) 5.813 20.931 ( -2.558 6.222 0.973) 6.797 22.237 ( -1.384 -7.367 6.306) 9.795 22.363 ( 3.341 -5.794 -2.406) 7.108 23.343 ( 1.111 5.117 -2.016) 5.611 23.361 ( -1.752 4.320 1.349) 4.853 27.072 ( 0.774 -10.946 -0.368) 10.980 27.179 ( -4.952 -21.084 3.494) 21.937 29.201 ( 1.619 15.664 -0.186) 15.748 29.465 ( 2.320 10.003 -4.367) 11.159 30.533 ( 11.020 -11.142 11.492) 19.434 30.823 ( -0.894 -4.177 3.455) 5.494 30.873 ( -2.716 -3.230 3.443) 5.447 31.239 ( 0.593 -5.829 -3.816) 6.992 31.567 ( -6.157 -3.865 2.015) 7.544 31.893 ( 1.468 6.974 -7.266) 10.178 31.993 ( 3.233 9.867 -2.936) 10.791 32.246 ( 8.445 -3.414 -16.528) 18.872 32.765 ( 4.350 -6.740 -3.040) 8.578 32.977 ( 2.902 -6.562 -8.271) 10.949 33.718 ( 5.167 2.229 -4.177) 7.008 33.793 ( -5.718 2.707 9.171) 11.141 35.416 ( -0.674 -0.906 1.532) 1.903 35.461 ( 1.262 -1.201 -1.677) 2.419 35.820 ( 5.251 -3.609 -5.323) 8.303 35.901 ( -4.796 -2.678 5.669) 7.893 36.283 ( -2.353 -2.745 -1.247) 3.824 36.439 ( -8.390 0.716 -0.753) 8.454 37.823 ( -5.121 5.662 25.883) 26.986 38.752 ( 0.094 17.287 -11.234) 20.617 ======================= Grid point 221 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.663 ( 11.365 -11.886 -8.725) 18.617 1.876 ( -11.313 2.382 -1.878) 11.712 1.954 ( 10.777 -3.345 -11.479) 16.097 2.282 ( -12.590 -3.828 -7.273) 15.036 2.689 ( 12.024 -3.834 -3.897) 13.208 2.814 ( 7.527 -0.509 -1.661) 7.725 2.886 ( 1.516 -8.024 8.016) 11.443 3.146 ( 9.470 -20.127 -2.182) 22.350 3.336 ( -1.379 2.340 9.198) 9.591 3.421 ( 5.957 -1.152 0.472) 6.085 3.661 ( -6.476 -8.422 0.728) 10.649 3.680 ( -6.607 3.848 2.373) 8.005 3.761 ( 4.438 -2.935 2.411) 5.841 3.921 ( 0.515 -0.032 -0.028) 0.516 4.182 ( -5.329 0.210 1.345) 5.500 4.414 ( 4.728 -2.318 -4.653) 7.027 4.606 ( -5.694 -0.873 3.070) 6.527 4.747 ( -9.058 2.974 -4.242) 10.435 4.797 ( 4.550 3.168 3.730) 6.683 5.119 ( -3.859 0.784 -0.505) 3.970 5.253 ( -1.045 3.303 1.988) 3.994 5.377 ( -5.839 -5.470 1.533) 8.146 5.611 ( 3.121 -1.991 -1.402) 3.959 5.720 ( 0.674 9.005 -2.455) 9.358 5.840 ( 2.525 2.945 1.745) 4.254 5.964 ( 1.124 0.159 -3.472) 3.653 6.236 ( 4.842 3.859 -1.442) 6.358 6.295 ( -2.236 2.101 2.631) 4.042 6.616 ( 0.855 2.719 3.102) 4.213 6.700 ( 0.642 2.984 2.274) 3.806 7.751 ( 2.564 0.749 0.157) 2.675 8.026 ( -2.059 5.519 -6.043) 8.439 8.180 ( 2.613 3.464 6.524) 7.835 8.257 ( -4.747 -4.896 -4.847) 8.367 9.008 ( -2.007 -0.644 1.837) 2.796 9.072 ( -1.262 3.508 2.013) 4.237 9.280 ( -0.506 -0.709 -7.662) 7.712 9.362 ( -2.740 -2.404 -3.487) 5.044 9.536 ( 2.540 -1.089 7.394) 7.894 9.640 ( -1.204 2.740 -0.543) 3.042 9.816 ( 8.222 5.210 0.947) 9.780 9.872 ( -1.149 -4.773 -4.402) 6.594 10.161 ( 1.658 -3.313 2.281) 4.350 10.376 ( 1.308 -3.907 -0.527) 4.154 10.632 ( -0.188 9.223 -3.171) 9.754 10.671 ( -0.281 8.063 -3.629) 8.847 11.129 ( -2.993 3.696 1.616) 5.023 11.250 ( -4.458 2.886 -4.228) 6.788 11.365 ( -1.804 -0.150 -2.810) 3.343 11.418 ( -0.199 1.185 -1.472) 1.900 11.774 ( 7.577 -1.462 0.930) 7.772 12.002 ( -2.238 -3.124 -2.855) 4.788 12.113 ( 8.564 4.664 2.780) 10.140 12.243 ( -2.107 2.537 4.517) 5.592 12.426 ( 0.577 3.879 0.629) 3.972 12.511 ( -3.619 7.561 0.510) 8.399 12.773 ( 3.491 0.703 2.078) 4.123 12.873 ( -0.646 -2.362 2.611) 3.579 13.332 ( -3.448 -0.045 3.484) 4.902 13.392 ( 0.061 4.707 -5.675) 7.373 13.636 ( 7.472 -4.170 5.669) 10.264 13.940 ( -4.146 -7.562 -2.838) 9.079 14.309 ( 9.494 4.179 4.700) 11.388 14.530 ( -2.961 0.113 -2.047) 3.602 15.040 ( 3.263 -8.255 1.794) 9.057 15.194 ( -4.577 -7.053 -1.120) 8.482 15.436 ( -0.130 -7.240 5.886) 9.332 15.486 ( 1.939 -11.592 4.767) 12.682 15.858 ( 0.386 -10.294 0.940) 10.344 16.199 ( -4.111 0.048 -9.515) 10.365 16.544 ( 3.499 6.696 2.345) 7.911 16.641 ( -4.510 0.698 4.893) 6.691 17.033 ( 1.624 -2.886 1.578) 3.669 17.147 ( -2.478 -5.276 -1.140) 5.939 17.396 ( 2.976 -3.008 1.338) 4.438 17.555 ( -0.868 -0.994 -3.401) 3.648 19.866 ( 0.539 -7.877 -3.970) 8.838 19.964 ( -5.782 -2.059 -2.423) 6.599 20.760 ( 0.899 7.795 -0.555) 7.866 20.785 ( -1.019 8.195 0.073) 8.259 22.431 ( -0.660 -10.850 5.303) 12.095 22.504 ( 2.350 -8.741 -2.836) 9.485 23.214 ( -1.138 8.555 1.339) 8.734 23.245 ( -0.643 7.084 -2.293) 7.474 27.354 ( 3.687 -18.571 -0.475) 18.939 27.570 ( -11.790 -25.507 4.420) 28.446 28.909 ( 4.370 20.044 3.553) 20.820 29.185 ( -0.562 17.412 -7.753) 19.068 30.848 ( 6.409 -7.504 5.712) 11.402 30.928 ( -1.305 -5.765 2.890) 6.579 31.020 ( 4.769 -9.854 10.531) 15.191 31.346 ( 1.535 -4.055 0.594) 4.376 31.580 ( -6.105 -1.115 -0.069) 6.207 31.735 ( 0.573 5.480 -8.077) 9.778 31.872 ( 2.645 5.627 5.371) 8.216 32.214 ( 3.943 0.309 -20.003) 20.390 32.927 ( 3.668 -8.934 -1.113) 9.721 33.084 ( -2.054 -8.261 -4.436) 9.599 33.679 ( 4.506 4.259 -2.178) 6.572 33.733 ( -4.182 4.323 5.968) 8.474 35.446 ( 0.433 -1.657 1.120) 2.046 35.488 ( 0.344 -1.896 -1.119) 2.228 35.901 ( 3.540 -3.370 -3.391) 5.949 35.945 ( -3.291 -3.159 1.596) 4.832 36.339 ( -3.824 -5.261 2.997) 7.161 36.387 ( -3.282 -2.245 -2.430) 4.660 37.794 ( -2.438 10.092 24.350) 26.471 38.313 ( 1.450 20.387 -18.537) 27.593 ======================= Grid point 222 (109/114) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.889 ( 2.377 -9.970 1.654) 10.382 1.942 ( -0.318 -13.108 -5.517) 14.225 2.104 ( 10.445 -10.680 -2.585) 15.160 2.265 ( -11.182 -8.305 -3.101) 14.270 2.716 ( 3.745 1.683 1.315) 4.311 2.793 ( -4.648 1.716 1.372) 5.141 3.198 ( 14.076 -7.767 2.112) 16.215 3.309 ( 1.622 5.226 8.517) 10.123 3.468 ( 6.447 0.518 -1.409) 6.619 3.505 ( 2.103 -8.149 -3.422) 9.085 3.562 ( -1.624 2.451 2.519) 3.872 3.732 ( -9.804 -3.936 -6.518) 12.414 3.796 ( 1.504 5.263 3.348) 6.416 3.881 ( -3.030 -0.815 -1.048) 3.308 4.181 ( 2.718 1.115 4.788) 5.618 4.376 ( -8.320 0.990 -8.669) 12.056 4.614 ( 0.005 -1.691 -0.078) 1.693 4.641 ( -3.917 0.628 0.433) 3.990 4.866 ( 10.717 -0.075 3.888) 11.401 5.024 ( -6.832 4.294 -0.008) 8.069 5.232 ( 2.323 1.036 3.731) 4.515 5.347 ( -7.235 1.220 -4.638) 8.680 5.562 ( 1.485 2.975 4.620) 5.692 5.634 ( -1.939 -0.520 -3.947) 4.428 5.880 ( 7.260 -0.931 4.343) 8.511 6.023 ( -1.833 -4.454 -2.625) 5.485 6.154 ( 1.188 4.475 0.980) 4.733 6.240 ( -2.955 1.142 -5.684) 6.507 6.601 ( 0.308 2.845 3.529) 4.543 6.636 ( -0.219 4.528 -0.780) 4.600 7.781 ( 4.811 -0.249 3.546) 5.982 7.919 ( -2.271 1.258 -5.961) 6.502 8.228 ( 4.758 -1.036 6.496) 8.118 8.325 ( -3.104 -6.403 -0.861) 7.167 8.960 ( -0.914 2.747 -2.511) 3.832 9.020 ( -5.474 -1.304 -0.795) 5.683 9.269 ( 2.558 -0.215 -3.366) 4.233 9.324 ( -5.778 0.712 -0.911) 5.892 9.537 ( 2.082 3.442 1.886) 4.443 9.587 ( -2.063 3.114 -0.338) 3.750 9.829 ( 5.615 -0.446 0.753) 5.683 9.919 ( -2.657 -2.547 -3.539) 5.106 10.266 ( 9.707 1.326 7.858) 12.559 10.406 ( 0.122 2.581 -1.566) 3.022 10.495 ( 0.660 7.378 -5.490) 9.220 10.513 ( -4.263 0.496 2.888) 5.172 11.087 ( -1.410 0.017 2.295) 2.693 11.142 ( -3.082 0.599 -5.614) 6.433 11.378 ( 0.744 -1.579 -0.354) 1.781 11.413 ( -2.328 -1.114 -0.400) 2.612 11.801 ( 10.099 6.068 0.866) 11.813 11.952 ( -6.601 4.934 -0.413) 8.252 12.197 ( 7.002 -6.203 2.227) 9.616 12.284 ( -3.950 -6.096 1.038) 7.338 12.360 ( -1.768 4.415 0.694) 4.806 12.376 ( -1.677 1.259 -1.684) 2.689 12.738 ( 2.318 5.390 2.333) 6.314 12.827 ( -3.218 6.280 -3.006) 7.670 13.330 ( -2.248 -0.249 3.434) 4.112 13.344 ( 1.293 -1.606 -4.003) 4.503 13.831 ( 8.964 -3.638 5.139) 10.954 13.942 ( -2.043 3.358 0.921) 4.036 14.362 ( 6.734 -1.056 0.282) 6.822 14.479 ( -6.789 -2.138 -1.731) 7.326 15.200 ( 3.286 -6.396 0.543) 7.211 15.273 ( -5.672 -6.166 -0.837) 8.420 15.468 ( 6.885 5.378 2.334) 9.043 15.606 ( -6.274 1.075 -1.256) 6.488 16.037 ( 3.917 -7.219 6.626) 10.553 16.186 ( -2.979 -6.601 -8.113) 10.875 16.497 ( 7.476 4.197 0.539) 8.590 16.614 ( -9.075 0.755 2.618) 9.476 17.116 ( 2.920 -3.325 2.540) 5.102 17.201 ( -3.365 -4.300 -3.220) 6.339 17.463 ( 2.569 -0.855 3.883) 4.734 17.543 ( -1.556 -0.864 -3.854) 4.245 20.012 ( 0.476 -9.127 -2.109) 9.379 20.021 ( -2.241 -8.102 0.083) 8.407 20.618 ( -0.848 8.191 3.274) 8.862 20.640 ( 1.105 7.139 -3.108) 7.864 22.644 ( 0.050 -9.800 2.697) 10.165 22.665 ( 0.774 -8.949 -1.762) 9.154 23.052 ( -1.077 9.425 2.891) 9.917 23.082 ( -0.140 8.522 -3.573) 9.242 27.768 ( 8.072 -22.115 0.135) 23.543 27.930 ( -13.293 -23.696 1.819) 27.231 28.605 ( 5.296 21.261 7.240) 23.076 28.779 ( -3.305 20.029 -10.189) 22.714 31.019 ( 2.416 -7.325 1.561) 7.869 31.049 ( -1.670 -7.457 1.465) 7.781 31.266 ( 6.053 -2.106 6.815) 9.355 31.348 ( 0.141 4.246 -0.715) 4.308 31.533 ( 2.508 1.280 1.365) 3.129 31.648 ( -3.080 0.180 -3.338) 4.545 31.892 ( 1.925 0.008 8.673) 8.884 32.095 ( -2.926 1.905 -15.181) 15.577 33.110 ( 2.554 -8.188 1.141) 8.652 33.179 ( -2.826 -7.137 -3.550) 8.457 33.616 ( 1.386 5.240 2.196) 5.848 33.645 ( -0.782 5.074 -0.036) 5.134 35.489 ( 1.080 -1.604 1.068) 2.209 35.515 ( -0.542 -1.641 -0.930) 1.962 35.943 ( 0.075 -0.928 0.887) 1.286 35.969 ( -1.052 -1.469 -2.133) 2.795 36.429 ( 3.007 -5.698 -2.903) 7.067 36.455 ( -4.419 -6.403 3.408) 8.494 37.713 ( -1.108 10.182 18.810) 21.418 37.907 ( 1.221 13.755 -17.385) 22.202 ======================= Grid point 223 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.088 ( -2.159 -6.054 -3.112) 7.141 2.088 ( 2.159 -6.054 3.112) 7.141 2.344 ( -2.394 -5.455 -1.022) 6.045 2.344 ( 2.394 -5.455 1.022) 6.045 2.820 ( -1.035 -11.747 -4.215) 12.523 2.820 ( 1.035 -11.747 4.215) 12.523 3.232 ( -4.575 10.446 -5.707) 12.752 3.232 ( 4.575 10.446 5.707) 12.752 3.412 ( 1.354 11.363 -6.547) 13.184 3.412 ( -1.354 11.363 6.547) 13.184 3.556 ( -0.870 5.848 -3.263) 6.753 3.556 ( 0.870 5.848 3.263) 6.753 3.848 ( -2.212 -2.000 -8.221) 8.745 3.848 ( 2.212 -2.000 8.221) 8.745 4.236 ( -7.765 0.714 -7.929) 11.121 4.236 ( 7.765 0.714 7.929) 11.121 4.642 ( 0.079 -1.866 -2.563) 3.171 4.642 ( -0.079 -1.866 2.563) 3.171 4.963 ( 3.851 -3.613 -4.180) 6.734 4.963 ( -3.851 -3.613 4.180) 6.735 5.269 ( -4.932 0.048 -2.530) 5.543 5.269 ( 4.932 0.048 2.530) 5.543 5.637 ( -7.684 -3.618 -1.304) 8.593 5.637 ( 7.684 -3.618 1.304) 8.593 5.948 ( -7.243 3.743 -6.187) 10.235 5.948 ( 7.243 3.743 6.187) 10.235 6.197 ( 0.931 -3.406 -7.608) 8.388 6.197 ( -0.931 -3.406 7.608) 8.388 6.544 ( 2.098 4.843 -4.199) 6.745 6.544 ( -2.098 4.843 4.199) 6.745 7.860 ( -4.266 -0.927 -5.346) 6.902 7.860 ( 4.266 -0.927 5.346) 6.902 8.349 ( -7.449 -2.549 -6.441) 10.172 8.349 ( 7.449 -2.549 6.441) 10.172 8.990 ( -8.213 -2.729 -4.478) 9.744 8.990 ( 8.213 -2.729 4.478) 9.744 9.262 ( 2.342 2.046 -3.547) 4.717 9.262 ( -2.342 2.046 3.547) 4.717 9.529 ( 0.100 0.346 -2.222) 2.251 9.529 ( -0.100 0.346 2.222) 2.251 9.881 ( -1.690 0.185 -5.631) 5.882 9.881 ( 1.690 0.185 5.631) 5.882 10.263 ( -6.836 7.102 -4.751) 10.943 10.263 ( 6.836 7.102 4.751) 10.943 10.503 ( -5.853 -2.985 -0.726) 6.610 10.503 ( 5.853 -2.985 0.726) 6.610 11.130 ( 3.962 -2.698 -6.925) 8.422 11.130 ( -3.962 -2.698 6.925) 8.422 11.418 ( -1.685 -2.128 -1.248) 2.987 11.418 ( 1.685 -2.128 1.248) 2.987 11.757 ( -8.884 7.912 -3.122) 12.299 11.757 ( 8.884 7.912 3.122) 12.299 12.295 ( -3.827 1.083 -4.275) 5.839 12.295 ( 3.827 1.083 4.275) 5.839 12.442 ( -7.519 -10.343 -4.202) 13.460 12.442 ( 7.519 -10.343 4.202) 13.460 12.651 ( -1.217 7.080 -2.516) 7.611 12.651 ( 1.217 7.080 2.516) 7.611 13.363 ( 1.950 -1.735 -5.438) 6.032 13.363 ( -1.950 -1.735 5.438) 6.032 13.844 ( -0.532 6.597 -2.377) 7.032 13.844 ( 0.532 6.597 2.377) 7.032 14.495 ( -4.611 -6.102 -7.906) 11.000 14.495 ( 4.611 -6.102 7.906) 11.000 15.300 ( -1.777 1.396 -2.707) 3.526 15.300 ( 1.777 1.396 2.707) 3.526 15.446 ( -6.154 2.456 -5.525) 8.627 15.446 ( 6.154 2.456 5.525) 8.627 16.219 ( -2.249 -2.840 -4.411) 5.708 16.219 ( 2.249 -2.840 4.411) 5.708 16.507 ( -3.783 2.123 -5.869) 7.298 16.507 ( 3.783 2.123 5.869) 7.298 17.202 ( -3.498 -0.820 -3.336) 4.903 17.202 ( 3.498 -0.820 3.336) 4.903 17.517 ( -2.011 -0.398 -4.129) 4.610 17.517 ( 2.011 -0.398 4.129) 4.610 20.156 ( 0.142 -5.773 -2.525) 6.303 20.156 ( -0.142 -5.773 2.525) 6.303 20.529 ( -0.621 2.109 -2.968) 3.694 20.529 ( 0.621 2.109 2.968) 3.694 22.752 ( 1.580 2.720 -2.453) 3.989 22.752 ( -1.580 2.720 2.453) 3.989 22.953 ( -0.850 -0.610 -2.535) 2.742 22.953 ( 0.850 -0.610 2.535) 2.742 28.180 ( -6.073 -2.138 0.858) 6.495 28.180 ( 6.073 -2.138 -0.858) 6.495 28.383 ( -3.125 1.177 -8.741) 9.358 28.383 ( 3.125 1.177 8.741) 9.358 31.133 ( -0.278 1.391 -2.300) 2.702 31.133 ( 0.278 1.391 2.300) 2.702 31.275 ( -1.226 -2.056 -4.890) 5.445 31.275 ( 1.226 -2.056 4.890) 5.445 31.610 ( -0.520 -0.456 -4.757) 4.807 31.610 ( 0.520 -0.456 4.757) 4.807 31.953 ( 2.673 1.782 -13.301) 13.684 31.953 ( -2.673 1.782 13.301) 13.684 33.245 ( -0.180 -3.013 -5.221) 6.031 33.245 ( 0.180 -3.013 5.221) 6.031 33.554 ( 1.195 2.940 -5.069) 5.981 33.554 ( -1.195 2.940 5.069) 5.981 35.521 ( -0.534 -0.248 -1.140) 1.283 35.521 ( 0.534 -0.248 1.140) 1.283 35.961 ( 1.272 0.029 -4.651) 4.821 35.961 ( -1.272 0.029 4.651) 4.821 36.534 ( 6.240 -3.441 -5.924) 9.267 36.534 ( -6.240 -3.441 5.924) 9.267 37.671 ( 0.067 2.866 -11.347) 11.703 37.671 ( -0.067 2.866 11.347) 11.703 ======================= Grid point 229 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.343 ( 27.104 0.000 -6.905) 27.969 1.751 ( 20.668 0.000 -17.824) 27.292 2.259 ( -13.049 -0.000 -10.251) 16.594 2.325 ( -11.136 -0.000 -6.870) 13.085 2.611 ( 4.330 0.000 1.237) 4.503 2.711 ( 13.687 0.000 -5.742) 14.842 2.750 ( 5.557 0.000 6.939) 8.890 2.972 ( -12.069 -0.000 2.849) 12.401 2.983 ( 0.465 0.000 -5.342) 5.363 3.130 ( -9.817 -0.000 4.634) 10.856 3.623 ( 5.615 0.000 6.803) 8.821 3.664 ( -1.079 -0.000 0.843) 1.370 3.894 ( 1.543 0.000 2.281) 2.754 3.957 ( -1.685 -0.000 7.038) 7.237 4.154 ( -0.038 -0.000 2.596) 2.596 4.344 ( 8.056 0.000 -3.932) 8.964 4.571 ( -6.987 -0.000 5.818) 9.092 4.857 ( -3.243 -0.000 -5.843) 6.683 4.966 ( -3.710 -0.000 -1.885) 4.162 4.998 ( 2.562 0.000 0.135) 2.565 5.247 ( -2.489 -0.000 6.774) 7.217 5.374 ( -5.244 -0.000 -1.101) 5.359 5.438 ( 3.294 0.000 -1.116) 3.477 5.803 ( 1.495 0.000 -5.668) 5.862 5.964 ( 1.305 0.000 2.422) 2.751 6.097 ( -1.655 -0.000 0.610) 1.764 6.292 ( 7.671 0.000 5.214) 9.275 6.370 ( 0.903 0.000 2.400) 2.564 6.724 ( -0.030 -0.000 -0.223) 0.225 6.755 ( -0.318 -0.000 1.139) 1.183 7.771 ( 2.586 0.000 -2.276) 3.445 8.078 ( -10.925 -0.000 -10.323) 15.031 8.252 ( -1.651 -0.000 0.431) 1.706 8.311 ( 0.291 0.000 0.925) 0.970 9.079 ( 7.364 0.000 6.902) 10.093 9.091 ( 1.849 0.000 3.697) 4.134 9.215 ( 4.001 0.000 -3.412) 5.258 9.334 ( -0.476 -0.000 -2.338) 2.385 9.530 ( -1.421 -0.000 4.841) 5.046 9.656 ( -0.222 -0.000 2.526) 2.536 9.807 ( -2.662 -0.000 -8.393) 8.805 9.921 ( -0.220 -0.000 -5.466) 5.470 9.992 ( -1.056 -0.000 1.842) 2.123 10.282 ( -1.018 -0.000 -3.281) 3.435 10.831 ( 4.303 0.000 -10.177) 11.049 10.840 ( -10.072 -0.000 -0.117) 10.072 11.173 ( 0.808 0.000 3.567) 3.658 11.343 ( -2.269 -0.000 6.301) 6.697 11.365 ( -4.569 -0.000 -1.865) 4.935 11.601 ( -4.608 -0.000 -14.173) 14.904 11.688 ( 7.701 0.000 1.043) 7.771 11.905 ( -4.846 -0.000 -1.800) 5.169 12.372 ( 7.778 0.000 5.484) 9.516 12.437 ( 3.709 0.000 4.521) 5.847 12.524 ( 5.502 0.000 3.571) 6.559 12.594 ( 3.804 0.000 9.573) 10.301 12.717 ( 3.446 0.000 -3.785) 5.119 12.861 ( -3.357 -0.000 -0.699) 3.429 13.373 ( -1.227 -0.000 4.189) 4.365 13.489 ( -1.003 -0.000 -4.258) 4.374 13.570 ( 0.674 0.000 3.544) 3.607 13.668 ( -3.428 -0.000 -3.375) 4.811 14.414 ( -0.519 -0.000 0.392) 0.651 14.472 ( -2.757 -0.000 -0.097) 2.758 14.718 ( 17.360 0.000 19.286) 25.948 14.990 ( 1.932 0.000 -1.707) 2.578 15.116 ( 2.286 0.000 8.625) 8.923 15.162 ( 3.014 0.000 -1.027) 3.184 15.625 ( 0.713 0.000 -1.811) 1.946 16.209 ( -8.821 -0.000 -14.597) 17.055 16.763 ( 1.083 0.000 2.748) 2.953 16.775 ( 2.159 0.000 0.895) 2.337 16.992 ( 1.799 0.000 0.748) 1.949 16.998 ( -0.289 -0.000 3.763) 3.774 17.271 ( 3.935 0.000 2.561) 4.695 17.523 ( -2.318 -0.000 -5.110) 5.611 19.721 ( 0.980 0.000 -2.461) 2.649 19.982 ( -9.793 -0.000 -6.650) 11.838 20.923 ( 1.127 0.000 -1.813) 2.134 20.971 ( -3.030 -0.000 0.547) 3.079 22.196 ( -0.664 -0.000 6.412) 6.446 22.306 ( 1.134 0.000 -3.396) 3.581 23.382 ( 2.641 0.000 -4.556) 5.266 23.400 ( -3.055 -0.000 3.178) 4.408 26.971 ( -0.088 -0.000 0.181) 0.201 26.971 ( 0.079 0.000 -0.009) 0.080 29.383 ( 3.473 0.000 1.043) 3.626 29.542 ( 0.198 0.000 -3.639) 3.644 30.644 ( 14.446 0.000 25.678) 29.462 30.792 ( 0.305 0.000 1.818) 1.843 30.839 ( -2.786 -0.000 2.543) 3.772 31.150 ( 2.083 0.000 -7.409) 7.696 31.512 ( -3.564 -0.000 3.309) 4.863 31.899 ( 0.517 0.000 -16.727) 16.735 32.127 ( 5.476 0.000 -11.598) 12.825 32.134 ( -0.711 -0.000 -2.537) 2.635 32.732 ( 5.552 0.000 -1.152) 5.671 32.883 ( 1.227 0.000 -7.939) 8.033 33.755 ( 6.664 0.000 -5.870) 8.880 33.819 ( -7.351 -0.000 9.352) 11.895 35.416 ( -0.489 -0.000 2.575) 2.621 35.450 ( 1.535 0.000 -2.314) 2.777 35.796 ( 5.347 0.000 -5.204) 7.461 35.866 ( -5.915 -0.000 5.660) 8.187 36.242 ( 0.427 0.000 -1.738) 1.790 36.374 ( -8.745 -0.000 -0.095) 8.746 38.017 ( 0.622 0.000 28.472) 28.479 38.801 ( -8.219 -0.000 -16.582) 18.507 ======================= Grid point 230 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 19.405 -4.053 -4.290) 20.283 1.834 ( 0.288 -0.201 -11.512) 11.518 2.004 ( -2.444 6.378 -0.216) 6.834 2.144 ( -11.698 1.370 -2.615) 12.065 2.681 ( 14.275 -3.046 -4.187) 15.185 2.755 ( -0.950 -9.326 4.273) 10.302 2.866 ( 5.712 -5.666 -6.515) 10.352 2.916 ( -4.104 2.857 3.793) 6.276 3.216 ( -5.159 -17.509 3.598) 18.604 3.252 ( -3.009 -15.675 -0.967) 15.990 3.627 ( 4.213 4.390 2.520) 6.585 3.682 ( -2.375 1.644 2.480) 3.807 3.860 ( 2.355 3.912 3.300) 5.633 3.945 ( -3.119 1.520 1.308) 3.708 4.203 ( 7.141 1.380 4.544) 8.576 4.371 ( 0.654 -1.084 -6.375) 6.500 4.576 ( -2.708 -0.871 5.172) 5.903 4.699 ( -9.776 3.498 -6.450) 12.223 4.919 ( 5.091 2.873 3.453) 6.789 5.046 ( -5.038 -1.729 -3.631) 6.447 5.293 ( -1.068 -2.353 4.695) 5.359 5.320 ( -1.442 2.033 -0.368) 2.520 5.556 ( 10.728 -5.959 -0.095) 12.272 5.759 ( -10.140 -1.424 -2.684) 10.586 5.941 ( 6.479 5.295 -0.712) 8.398 6.016 ( -3.209 5.908 -0.871) 6.780 6.340 ( 4.583 3.379 0.269) 5.700 6.362 ( -1.072 2.999 3.804) 4.961 6.694 ( 1.278 2.682 1.757) 3.452 6.739 ( -1.337 1.251 -0.367) 1.867 7.791 ( 3.620 0.177 2.133) 4.205 7.953 ( -8.894 -0.553 -9.617) 13.111 8.237 ( 2.909 1.942 1.461) 3.791 8.281 ( -0.605 2.821 1.204) 3.127 9.087 ( 4.051 5.262 6.509) 9.299 9.151 ( 2.809 2.432 3.132) 4.859 9.208 ( -0.414 -1.596 -6.294) 6.506 9.294 ( -5.068 1.582 -5.184) 7.420 9.583 ( 4.124 -1.910 10.328) 11.284 9.665 ( -1.339 0.958 -0.488) 1.718 9.758 ( -0.924 -3.617 -3.957) 5.440 9.867 ( -5.025 -2.338 -9.872) 11.321 10.110 ( 6.532 -4.654 9.025) 12.074 10.280 ( -2.419 -3.748 -5.178) 6.834 10.742 ( -3.507 4.867 1.430) 6.167 10.761 ( 1.467 4.548 -6.997) 8.474 11.192 ( -0.465 2.727 4.630) 5.394 11.281 ( -2.588 4.338 -5.421) 7.410 11.344 ( -1.740 0.605 5.923) 6.203 11.437 ( -1.835 4.223 -8.941) 10.057 11.781 ( 6.566 -3.142 1.678) 7.470 11.889 ( -4.820 -3.033 -2.231) 6.116 12.333 ( 6.679 9.293 1.889) 11.599 12.385 ( 0.390 9.047 2.219) 9.324 12.538 ( 3.014 4.370 2.512) 5.873 12.594 ( -2.711 3.467 0.132) 4.403 12.799 ( 4.923 -1.831 2.277) 5.725 12.840 ( -1.268 -1.451 0.729) 2.060 13.362 ( -1.269 2.435 5.382) 6.042 13.431 ( -0.652 2.909 -6.099) 6.788 13.633 ( 3.536 -4.096 3.146) 6.259 13.720 ( -3.556 -9.044 -2.093) 9.941 14.441 ( 2.254 -0.105 2.888) 3.665 14.487 ( -1.369 -2.320 -1.382) 3.028 14.948 ( 5.918 -4.941 2.521) 8.111 15.035 ( -4.704 -6.078 0.443) 7.698 15.274 ( 3.602 -10.244 4.877) 11.904 15.322 ( 1.481 -11.868 2.964) 12.322 15.738 ( 6.452 -6.940 10.023) 13.793 16.055 ( -9.447 -1.930 -16.019) 18.697 16.699 ( 2.040 6.794 1.648) 7.282 16.728 ( -0.810 6.571 0.775) 6.666 17.014 ( 1.774 -1.715 1.936) 3.136 17.051 ( -1.480 -2.991 -0.354) 3.356 17.371 ( 4.511 -3.895 3.634) 6.981 17.488 ( -3.386 -2.018 -4.907) 6.294 19.763 ( 3.236 -3.427 -0.516) 4.741 19.873 ( -7.569 -0.493 -4.404) 8.771 20.879 ( 1.870 4.897 -1.541) 5.464 20.900 ( -2.566 5.380 0.931) 6.033 22.295 ( -0.194 -7.062 5.934) 9.226 22.352 ( 0.448 -6.605 -4.384) 7.940 23.333 ( 3.024 4.930 -4.337) 7.229 23.344 ( -3.646 5.129 3.385) 7.145 27.090 ( 2.047 -12.601 -0.268) 12.769 27.130 ( -3.948 -16.509 1.020) 17.006 29.285 ( 4.937 14.099 4.097) 15.490 29.405 ( -2.667 11.871 -5.404) 13.313 30.824 ( 3.089 -2.760 2.298) 4.737 30.855 ( -1.778 -2.705 1.656) 3.636 30.983 ( 7.085 -8.401 21.476) 24.125 31.204 ( 0.141 -8.126 -7.252) 10.892 31.541 ( 0.278 -1.172 7.556) 7.651 31.754 ( -1.582 2.975 -18.491) 18.795 32.030 ( 1.855 5.758 3.277) 6.880 32.131 ( 0.116 0.315 -12.197) 12.202 32.824 ( 4.856 -5.756 0.314) 7.537 32.907 ( -2.464 -6.181 -3.953) 7.740 33.756 ( 7.072 2.073 -6.268) 9.674 33.789 ( -7.298 2.322 8.100) 11.147 35.435 ( 0.218 -0.828 2.028) 2.201 35.456 ( 0.498 -1.022 -1.834) 2.157 35.843 ( 5.624 -3.398 -5.398) 8.504 35.875 ( -5.912 -2.684 5.066) 8.235 36.265 ( 1.153 -2.302 -0.035) 2.575 36.319 ( -5.569 -0.852 -0.357) 5.645 38.119 ( 3.131 8.575 27.742) 29.205 38.492 ( -6.225 13.170 -23.066) 27.281 ======================= Grid point 231 (113/114) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 7.546 -5.410 -4.440) 10.292 1.732 ( -7.546 -5.410 4.440) 10.292 2.061 ( 0.558 -3.115 -4.066) 5.152 2.061 ( -0.558 -3.115 4.066) 5.152 2.815 ( 3.199 2.900 -3.713) 5.695 2.815 ( -3.199 2.900 3.713) 5.695 3.076 ( -9.345 -18.762 -5.072) 21.565 3.076 ( 9.345 -18.762 5.072) 21.565 3.467 ( -9.174 -9.660 -5.498) 14.412 3.467 ( 9.174 -9.660 5.498) 14.412 3.584 ( 1.441 4.540 -5.059) 6.949 3.584 ( -1.441 4.540 5.059) 6.949 3.873 ( -6.048 1.426 -1.361) 6.361 3.873 ( 6.048 1.426 1.361) 6.361 4.282 ( -8.564 1.051 -7.915) 11.709 4.282 ( 8.564 1.051 7.915) 11.709 4.609 ( -1.421 -0.429 -2.744) 3.119 4.609 ( 1.421 -0.429 2.744) 3.119 4.978 ( -7.191 -0.053 -6.429) 9.646 4.978 ( 7.191 -0.053 6.429) 9.646 5.293 ( -2.623 1.319 -2.054) 3.584 5.293 ( 2.623 1.319 2.054) 3.584 5.680 ( 1.644 3.846 -5.049) 6.557 5.680 ( -1.644 3.846 5.049) 6.557 5.913 ( -1.142 -0.694 -5.658) 5.814 5.913 ( 1.142 -0.694 5.658) 5.814 6.270 ( 4.657 5.834 -4.068) 8.501 6.270 ( -4.657 5.834 4.068) 8.501 6.682 ( -1.033 2.660 -3.294) 4.358 6.682 ( 1.033 2.660 3.294) 4.358 7.852 ( -6.084 0.064 -6.820) 9.139 7.852 ( 6.084 0.064 6.820) 9.139 8.249 ( 2.913 -0.458 -3.666) 4.705 8.249 ( -2.913 -0.458 3.666) 4.705 9.030 ( -1.269 5.471 -3.021) 6.377 9.030 ( 1.269 5.471 3.021) 6.377 9.263 ( -4.460 -2.296 0.190) 5.020 9.263 ( 4.460 -2.296 -0.190) 5.020 9.627 ( -0.879 2.533 -2.040) 3.369 9.627 ( 0.879 2.533 2.040) 3.369 9.840 ( 0.589 -2.469 -2.993) 3.925 9.840 ( -0.589 -2.469 2.993) 3.925 10.306 ( -5.880 -5.709 -6.118) 10.228 10.306 ( 5.880 -5.709 6.118) 10.228 10.625 ( 3.214 8.084 -5.749) 10.427 10.625 ( -3.214 8.084 5.749) 10.427 11.139 ( -0.978 4.406 -4.711) 6.524 11.139 ( 0.978 4.406 4.711) 6.524 11.373 ( 1.145 -0.718 -4.760) 4.948 11.373 ( -1.145 -0.718 4.760) 4.948 11.903 ( -6.095 -3.132 -2.124) 7.174 11.903 ( 6.094 -3.132 2.124) 7.174 12.231 ( 2.550 5.343 -3.086) 6.676 12.231 ( -2.550 5.343 3.086) 6.676 12.464 ( -0.117 6.778 -2.757) 7.318 12.464 ( 0.117 6.778 2.757) 7.318 12.843 ( -3.739 0.881 -1.934) 4.300 12.843 ( 3.739 0.881 1.934) 4.300 13.343 ( 2.064 2.028 -5.392) 6.119 13.343 ( -2.064 2.028 5.392) 6.119 13.823 ( -7.220 -7.959 -4.434) 11.625 13.823 ( 7.220 -7.959 4.434) 11.625 14.448 ( -4.469 3.057 -2.467) 5.950 14.448 ( 4.469 3.057 2.467) 5.950 15.112 ( -2.227 -7.094 -2.733) 7.921 15.112 ( 2.227 -7.094 2.733) 7.921 15.501 ( 1.267 -7.805 -4.534) 9.115 15.501 ( -1.267 -7.805 4.534) 9.115 15.990 ( -4.968 -6.335 -11.905) 14.371 15.990 ( 4.968 -6.335 11.905) 14.371 16.611 ( 0.458 4.418 -0.585) 4.480 16.611 ( -0.458 4.418 0.585) 4.480 17.086 ( -1.353 -3.592 -2.882) 4.800 17.086 ( 1.353 -3.592 2.882) 4.800 17.480 ( -2.792 -2.155 -4.139) 5.438 17.480 ( 2.792 -2.155 4.139) 5.438 19.874 ( -3.406 -5.951 0.331) 6.864 19.874 ( 3.406 -5.951 -0.331) 6.864 20.770 ( 2.137 7.653 -3.038) 8.507 20.770 ( -2.137 7.653 3.038) 8.507 22.481 ( 0.680 -9.842 -4.722) 10.938 22.481 ( -0.680 -9.842 4.722) 10.938 23.217 ( 3.654 7.882 -5.334) 10.195 23.217 ( -3.654 7.882 5.334) 10.195 27.438 ( -7.849 -21.539 0.705) 22.936 27.438 ( 7.849 -21.539 -0.705) 22.936 29.052 ( -4.800 19.077 -7.294) 20.980 29.052 ( 4.800 19.077 7.294) 20.980 30.921 ( 0.143 -5.528 -1.193) 5.657 30.921 ( -0.143 -5.528 1.193) 5.657 31.277 ( -4.118 -7.241 -10.710) 13.568 31.277 ( 4.118 -7.241 10.710) 13.568 31.605 ( -1.530 2.329 -10.543) 10.905 31.605 ( 1.530 2.329 10.543) 10.905 32.017 ( -2.488 2.415 -13.262) 13.707 32.017 ( 2.488 2.415 13.262) 13.707 32.996 ( -2.707 -8.168 -3.060) 9.133 32.996 ( 2.707 -8.168 3.060) 9.133 33.719 ( 6.214 4.035 -7.132) 10.284 33.719 ( -6.214 4.035 7.132) 10.284 35.471 ( -0.244 -1.729 -1.741) 2.466 35.471 ( 0.244 -1.729 1.741) 2.466 35.916 ( 3.834 -2.913 -4.502) 6.592 35.916 ( -3.834 -2.913 4.502) 6.592 36.337 ( 0.926 -4.574 -2.935) 5.513 36.337 ( -0.926 -4.574 2.935) 5.513 38.064 ( -0.976 15.056 -23.977) 28.329 38.064 ( 0.976 15.056 23.977) 28.329 ======================= Grid point 241 (114/114) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 7.23e-05 7.23e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.741 ( -15.379 -0.000 -7.841) 17.262 1.741 ( 15.379 0.000 7.841) 17.262 2.041 ( 1.050 0.000 -3.451) 3.608 2.041 ( -1.050 -0.000 3.451) 3.608 2.776 ( -15.217 -0.000 4.063) 15.750 2.776 ( 15.217 0.000 -4.063) 15.750 2.837 ( 3.500 0.000 -3.360) 4.852 2.837 ( -3.500 -0.000 3.360) 4.852 3.016 ( 11.796 0.000 -5.365) 12.958 3.016 ( -11.796 -0.000 5.365) 12.958 3.698 ( -0.753 -0.000 -2.818) 2.917 3.698 ( 0.753 0.000 2.818) 2.917 3.933 ( -1.661 -0.000 -5.364) 5.616 3.933 ( 1.661 0.000 5.364) 5.616 4.314 ( -5.352 -0.000 -6.065) 8.089 4.314 ( 5.352 0.000 6.065) 8.089 4.623 ( -6.609 -0.000 -7.635) 10.098 4.623 ( 6.609 0.000 7.635) 10.098 4.994 ( -2.747 -0.000 -0.586) 2.809 4.994 ( 2.747 0.000 0.586) 2.809 5.291 ( -0.830 -0.000 -4.377) 4.455 5.291 ( 0.830 0.000 4.377) 4.455 5.622 ( -12.275 -0.000 -5.566) 13.478 5.622 ( 12.275 0.000 5.566) 13.478 6.039 ( -5.549 -0.000 0.499) 5.572 6.039 ( 5.549 0.000 -0.499) 5.572 6.395 ( 1.403 0.000 -0.632) 1.539 6.395 ( -1.403 -0.000 0.632) 1.539 6.734 ( -1.099 -0.000 -1.281) 1.688 6.734 ( 1.099 0.000 1.281) 1.688 7.847 ( -5.796 -0.000 -5.626) 8.077 7.847 ( 5.796 0.000 5.626) 8.077 8.289 ( -3.334 -0.000 -0.196) 3.340 8.289 ( 3.334 0.000 0.196) 3.340 9.160 ( 0.858 0.000 -3.973) 4.065 9.160 ( -0.858 -0.000 3.973) 4.065 9.277 ( -3.707 -0.000 -1.536) 4.012 9.277 ( 3.707 0.000 1.536) 4.012 9.651 ( -3.808 -0.000 -7.877) 8.749 9.651 ( 3.808 0.000 7.877) 8.749 9.701 ( -0.792 -0.000 -1.688) 1.864 9.701 ( 0.792 0.000 1.688) 1.864 10.176 ( -5.508 -0.000 -8.044) 9.750 10.176 ( 5.508 0.000 8.044) 9.750 10.779 ( 3.841 0.000 -7.534) 8.456 10.779 ( -3.841 -0.000 7.534) 8.456 11.259 ( -3.428 -0.000 -4.814) 5.910 11.259 ( 3.428 0.000 4.814) 5.910 11.415 ( -0.642 -0.000 -10.130) 10.150 11.415 ( 0.642 0.000 10.130) 10.150 11.807 ( -5.923 -0.000 -1.222) 6.048 11.807 ( 5.923 0.000 1.222) 6.048 12.499 ( 2.454 0.000 -1.936) 3.125 12.499 ( -2.454 -0.000 1.936) 3.125 12.584 ( 2.747 0.000 -4.190) 5.010 12.584 ( -2.747 -0.000 4.190) 5.010 12.821 ( 3.152 0.000 -1.696) 3.579 12.821 ( -3.152 -0.000 1.696) 3.579 13.422 ( -0.823 -0.000 -4.521) 4.595 13.422 ( 0.823 0.000 4.521) 4.595 13.606 ( -0.961 -0.000 -1.722) 1.972 13.606 ( 0.961 0.000 1.722) 1.972 14.430 ( -1.856 -0.000 -0.461) 1.913 14.430 ( 1.856 0.000 0.461) 1.913 14.970 ( -1.292 -0.000 -4.828) 4.998 14.970 ( 1.292 0.000 4.828) 4.998 15.203 ( 1.778 0.000 -1.317) 2.213 15.203 ( -1.778 -0.000 1.317) 2.213 15.841 ( -11.949 -0.000 -18.711) 22.201 15.841 ( 11.949 0.000 18.711) 22.201 16.791 ( 0.354 0.000 -1.178) 1.230 16.791 ( -0.354 -0.000 1.178) 1.230 17.015 ( 1.525 0.000 -1.637) 2.237 17.015 ( -1.525 -0.000 1.637) 2.237 17.397 ( -5.147 -0.000 -5.744) 7.713 17.397 ( 5.147 0.000 5.744) 7.713 19.785 ( -6.706 -0.000 -3.449) 7.541 19.785 ( 6.706 0.000 3.449) 7.541 20.935 ( 2.345 0.000 -0.827) 2.486 20.935 ( -2.345 -0.000 0.827) 2.486 22.260 ( 0.022 0.000 -5.583) 5.583 22.260 ( -0.022 -0.000 5.583) 5.583 23.384 ( 3.374 0.000 -3.411) 4.798 23.384 ( -3.374 -0.000 3.411) 4.798 26.972 ( 0.059 0.000 -0.119) 0.133 26.972 ( -0.059 -0.000 0.119) 0.133 29.473 ( -3.569 -0.000 -3.420) 4.943 29.473 ( 3.569 0.000 3.420) 4.943 30.819 ( -1.946 -0.000 0.407) 1.988 30.819 ( 1.946 0.000 -0.407) 1.988 31.057 ( 0.709 0.000 -19.638) 19.651 31.057 ( -0.709 -0.000 19.638) 19.651 31.627 ( -4.429 -0.000 -18.941) 19.452 31.627 ( 4.429 0.000 18.941) 19.452 32.106 ( 1.278 0.000 -0.933) 1.582 32.106 ( -1.278 -0.000 0.933) 1.582 32.808 ( -3.807 -0.000 -1.578) 4.121 32.808 ( 3.807 0.000 1.578) 4.121 33.794 ( 8.055 0.000 -7.849) 11.247 33.794 ( -8.055 -0.000 7.849) 11.247 35.439 ( 0.545 0.000 -2.515) 2.574 35.439 ( -0.545 -0.000 2.515) 2.574 35.828 ( 6.339 0.000 -5.144) 8.164 35.828 ( -6.339 -0.000 5.144) 8.164 36.270 ( -4.830 -0.000 0.640) 4.872 36.270 ( 4.830 0.000 -0.640) 4.872 38.408 ( -7.974 -0.000 -27.094) 28.243 38.408 ( 7.974 0.000 27.094) 28.243 =================== 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 3/41472 10.0 559.229 291.607 418.954 0.000 142.398 0.000 3/41472 20.0 97.198 71.021 75.425 0.000 17.197 0.000 3/41472 30.0 37.553 29.734 30.022 0.000 6.271 0.000 3/41472 40.0 21.001 17.336 16.946 0.000 3.344 0.000 3/41472 50.0 14.109 11.894 11.397 0.000 2.163 0.000 3/41472 60.0 10.518 8.949 8.482 0.000 1.571 0.000 3/41472 70.0 8.359 7.138 6.726 0.000 1.230 0.000 3/41472 80.0 6.931 5.923 5.566 0.000 1.013 0.000 3/41472 90.0 5.920 5.057 4.746 0.000 0.864 0.000 3/41472 100.0 5.168 4.412 4.139 0.000 0.756 0.000 3/41472 110.0 4.589 3.916 3.673 0.000 0.674 0.000 3/41472 120.0 4.130 3.524 3.304 0.000 0.610 0.000 3/41472 130.0 3.757 3.207 3.005 0.000 0.559 0.000 3/41472 140.0 3.449 2.947 2.758 0.000 0.516 0.000 3/41472 150.0 3.190 2.730 2.551 0.000 0.480 0.000 3/41472 160.0 2.969 2.548 2.375 0.000 0.450 0.000 3/41472 170.0 2.779 2.392 2.224 0.000 0.424 0.000 3/41472 180.0 2.614 2.258 2.093 0.000 0.400 0.000 3/41472 190.0 2.470 2.142 1.978 0.000 0.380 0.000 3/41472 200.0 2.342 2.041 1.877 0.000 0.361 0.000 3/41472 210.0 2.229 1.952 1.788 0.000 0.344 0.000 3/41472 220.0 2.127 1.873 1.708 0.000 0.329 0.000 3/41472 230.0 2.036 1.803 1.637 0.000 0.315 0.000 3/41472 240.0 1.954 1.740 1.573 0.000 0.302 0.000 3/41472 250.0 1.879 1.683 1.515 0.000 0.290 0.000 3/41472 260.0 1.812 1.632 1.462 0.000 0.279 0.000 3/41472 270.0 1.749 1.585 1.414 0.000 0.268 0.000 3/41472 280.0 1.693 1.542 1.370 0.000 0.258 0.000 3/41472 290.0 1.640 1.503 1.330 0.000 0.249 0.000 3/41472 300.0 1.592 1.466 1.293 0.000 0.240 0.000 3/41472 310.0 1.547 1.433 1.259 0.000 0.232 0.000 3/41472 320.0 1.505 1.401 1.227 0.000 0.224 0.000 3/41472 330.0 1.466 1.371 1.198 0.000 0.216 0.000 3/41472 340.0 1.430 1.344 1.170 0.000 0.209 0.000 3/41472 350.0 1.395 1.317 1.144 0.000 0.202 0.000 3/41472 360.0 1.363 1.293 1.120 0.000 0.196 0.000 3/41472 370.0 1.333 1.269 1.097 0.000 0.189 0.000 3/41472 380.0 1.304 1.247 1.076 0.000 0.183 0.000 3/41472 390.0 1.277 1.225 1.055 0.000 0.178 0.000 3/41472 400.0 1.251 1.205 1.036 0.000 0.172 0.000 3/41472 410.0 1.227 1.185 1.017 0.000 0.167 0.000 3/41472 420.0 1.203 1.166 1.000 0.000 0.162 0.000 3/41472 430.0 1.181 1.148 0.983 0.000 0.157 0.000 3/41472 440.0 1.160 1.130 0.967 0.000 0.153 0.000 3/41472 450.0 1.139 1.113 0.951 0.000 0.149 0.000 3/41472 460.0 1.120 1.097 0.936 0.000 0.144 0.000 3/41472 470.0 1.101 1.081 0.922 0.000 0.140 0.000 3/41472 480.0 1.082 1.066 0.908 0.000 0.137 0.000 3/41472 490.0 1.065 1.051 0.895 0.000 0.133 0.000 3/41472 500.0 1.048 1.036 0.882 0.000 0.130 0.000 3/41472 510.0 1.032 1.022 0.870 0.000 0.126 0.000 3/41472 520.0 1.016 1.008 0.858 0.000 0.123 0.000 3/41472 530.0 1.001 0.995 0.846 0.000 0.120 0.000 3/41472 540.0 0.986 0.982 0.834 0.000 0.117 0.000 3/41472 550.0 0.972 0.969 0.823 0.000 0.114 0.000 3/41472 560.0 0.958 0.957 0.813 0.000 0.111 0.000 3/41472 570.0 0.944 0.944 0.802 0.000 0.109 0.000 3/41472 580.0 0.931 0.933 0.792 0.000 0.106 0.000 3/41472 590.0 0.918 0.921 0.782 0.000 0.104 0.000 3/41472 600.0 0.906 0.910 0.772 0.000 0.101 0.000 3/41472 610.0 0.894 0.899 0.763 0.000 0.099 0.000 3/41472 620.0 0.882 0.888 0.754 0.000 0.097 0.000 3/41472 630.0 0.871 0.877 0.745 0.000 0.095 0.000 3/41472 640.0 0.860 0.867 0.736 0.000 0.093 0.000 3/41472 650.0 0.849 0.857 0.727 0.000 0.091 0.000 3/41472 660.0 0.838 0.847 0.719 0.000 0.089 0.000 3/41472 670.0 0.828 0.837 0.711 0.000 0.087 0.000 3/41472 680.0 0.818 0.828 0.703 0.000 0.086 0.000 3/41472 690.0 0.808 0.818 0.695 0.000 0.084 0.000 3/41472 700.0 0.799 0.809 0.687 0.000 0.082 0.000 3/41472 710.0 0.789 0.800 0.680 0.000 0.081 0.000 3/41472 720.0 0.780 0.792 0.672 0.000 0.079 0.000 3/41472 730.0 0.771 0.783 0.665 0.000 0.078 0.000 3/41472 740.0 0.762 0.775 0.658 0.000 0.076 0.000 3/41472 750.0 0.754 0.766 0.651 0.000 0.075 0.000 3/41472 760.0 0.745 0.758 0.644 0.000 0.074 0.000 3/41472 770.0 0.737 0.750 0.638 0.000 0.072 0.000 3/41472 780.0 0.729 0.743 0.631 0.000 0.071 0.000 3/41472 790.0 0.721 0.735 0.625 0.000 0.070 0.000 3/41472 800.0 0.714 0.727 0.618 0.000 0.069 0.000 3/41472 810.0 0.706 0.720 0.612 0.000 0.068 0.000 3/41472 820.0 0.699 0.713 0.606 0.000 0.066 0.000 3/41472 830.0 0.691 0.706 0.600 0.000 0.065 0.000 3/41472 840.0 0.684 0.699 0.594 0.000 0.064 0.000 3/41472 850.0 0.677 0.692 0.588 0.000 0.063 0.000 3/41472 860.0 0.671 0.685 0.583 0.000 0.062 0.000 3/41472 870.0 0.664 0.679 0.577 0.000 0.061 0.000 3/41472 880.0 0.657 0.672 0.572 0.000 0.060 0.000 3/41472 890.0 0.651 0.666 0.566 0.000 0.060 0.000 3/41472 900.0 0.645 0.660 0.561 0.000 0.059 0.000 3/41472 910.0 0.638 0.653 0.556 0.000 0.058 0.000 3/41472 920.0 0.632 0.647 0.551 0.000 0.057 0.000 3/41472 930.0 0.626 0.642 0.546 0.000 0.056 0.000 3/41472 940.0 0.620 0.636 0.541 0.000 0.055 0.000 3/41472 950.0 0.615 0.630 0.536 0.000 0.055 0.000 3/41472 960.0 0.609 0.624 0.531 0.000 0.054 0.000 3/41472 970.0 0.603 0.619 0.527 0.000 0.053 0.000 3/41472 980.0 0.598 0.613 0.522 0.000 0.053 0.000 3/41472 990.0 0.593 0.608 0.518 0.000 0.052 0.000 3/41472 1000.0 0.587 0.603 0.513 0.000 0.051 0.000 3/41472 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 12:00:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|