# Fileset [LTC-calc.log](https://mdr.nims.go.jp/filesets/2afada93-9ac2-4fca-96f3-d0aaad3ff9e6/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for LiNd(PO3)4 / C2/c (15) / materials id 18711](https://mdr.nims.go.jp/datasets/b42f04b6-fab9-4148-b2c7-4daee987d8de) ## Fulltext ------------------------------------ calculate fc2 ------------------------------------ _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1-------------------------[time 2026-01-08 04:46:19]-------------------------Compiled with OpenMP support (max 128 threads).Running in phonopy.load mode.Python version 3.14.2Spglib version 2.6.1Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".Unit of length: angstromSettings: 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 8.233491990267785 -3.528056985000000 0.000000000000000 b 8.233491990267785 3.528056985000000 0.000000000000000 c -5.803004584782996 0.000000000000000 7.878833037694238Atomic positions (fractional): *1 Li 0.29648299281707 0.70351700718293 0.25000000000000 6.941 2 Li 0.70351700718293 0.29648299281707 0.75000000000000 6.941 *3 O 0.53862833418012 0.77864873485246 0.58457458879211 15.999 4 O 0.22135126514754 0.46137166581988 0.91542541120789 15.999 5 O 0.46137166581988 0.22135126514754 0.41542541120789 15.999 6 O 0.77864873485246 0.53862833418012 0.08457458879211 15.999 *7 O 0.82726057546890 0.66058195893289 0.84451093500442 15.999 8 O 0.33941804106711 0.17273942453110 0.65548906499558 15.999 9 O 0.17273942453110 0.33941804106711 0.15548906499558 15.999 10 O 0.66058195893289 0.82726057546890 0.34451093500442 15.999 *11 O 0.56046619156083 0.56912983423847 0.20212893861293 15.999 12 O 0.43087016576153 0.43953380843917 0.29787106138707 15.999 13 O 0.43953380843917 0.43087016576153 0.79787106138707 15.999 14 O 0.56912983423847 0.56046619156083 0.70212893861293 15.999 *15 O 0.39313210662584 0.83443150255474 0.04844074617295 15.999 16 O 0.16556849744526 0.60686789337416 0.45155925382705 15.999 17 O 0.60686789337416 0.16556849744526 0.95155925382705 15.999 18 O 0.83443150255474 0.39313210662584 0.54844074617295 15.999 *19 O 0.01637292833196 0.24239091339512 0.22532937697735 15.999 20 O 0.75760908660488 0.98362707166804 0.27467062302265 15.999 21 O 0.98362707166804 0.75760908660488 0.77467062302265 15.999 22 O 0.24239091339512 0.01637292833196 0.72532937697735 15.999 *23 O 0.97999894862473 0.16607335847361 0.91548270511349 15.999 24 O 0.83392664152639 0.02000105137527 0.58451729488651 15.999 25 O 0.02000105137527 0.83392664152639 0.08451729488651 15.999 26 O 0.16607335847361 0.97999894862473 0.41548270511349 15.999 *27 P 0.30236912184506 0.99318208770157 0.59624939653770 30.974 28 P 0.00681791229843 0.69763087815494 0.90375060346230 30.974 29 P 0.69763087815494 0.00681791229843 0.40375060346230 30.974 30 P 0.99318208770157 0.30236912184506 0.09624939653770 30.974 *31 P 0.69352437146914 0.58192329825318 0.66255402423745 30.974 32 P 0.41807670174682 0.30647562853086 0.83744597576255 30.974 33 P 0.30647562853086 0.41807670174682 0.33744597576255 30.974 34 P 0.58192329825318 0.69352437146914 0.16255402423745 30.974 *35 Nd 0.79785912918990 0.20214087081010 0.25000000000000 144.242 36 Nd 0.20214087081010 0.79785912918990 0.75000000000000 144.242-------------------------------- unit cell ---------------------------------Lattice vectors: a 16.466983980535570 0.000000000000000 0.000000000000000 b 0.000000000000000 7.056113969999999 0.000000000000000 c -5.803004584782996 0.000000000000000 7.878833037694238Atomic positions (fractional): *1 Li 0.00000000000000 0.70351700718293 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.29648299281707 0.75000000000000 6.941 > 2 3 Li 0.50000000000000 0.20351700718294 0.25000000000000 6.941 > 1 4 Li 0.50000000000000 0.79648299281707 0.75000000000000 6.941 > 2 *5 O 0.15863853451629 0.62001020033617 0.58457458879211 15.999 > 3 6 O 0.34136146548371 0.12001020033617 0.91542541120789 15.999 > 4 7 O 0.84136146548371 0.37998979966383 0.41542541120789 15.999 > 5 8 O 0.65863853451629 0.87998979966383 0.08457458879211 15.999 > 6 *9 O 0.24392126720089 0.41666069173199 0.84451093500442 15.999 > 7 10 O 0.25607873279910 0.91666069173199 0.65548906499558 15.999 > 8 11 O 0.75607873279910 0.58333930826801 0.15548906499558 15.999 > 9 12 O 0.74392126720090 0.08333930826801 0.34451093500442 15.999 > 10 *13 O 0.06479801289965 0.50433182133882 0.20212893861293 15.999 > 11 14 O 0.93520198710035 0.50433182133882 0.29787106138707 15.999 > 12 15 O 0.93520198710035 0.49566817866118 0.79787106138707 15.999 > 13 16 O 0.06479801289965 0.49566817866118 0.70212893861293 15.999 > 14 *17 O 0.61378180459029 0.22064969796445 0.04844074617295 15.999 > 15 18 O 0.88621819540971 0.72064969796445 0.45155925382705 15.999 > 16 19 O 0.38621819540971 0.77935030203555 0.95155925382705 15.999 > 17 20 O 0.11378180459029 0.27935030203555 0.54844074617295 15.999 > 18 *21 O 0.62938192086354 0.61300899253158 0.22532937697735 15.999 > 19 22 O 0.87061807913646 0.11300899253158 0.27467062302265 15.999 > 20 23 O 0.37061807913646 0.38699100746842 0.77467062302265 15.999 > 21 24 O 0.12938192086354 0.88699100746842 0.72532937697735 15.999 > 22 *25 O 0.07303615354917 0.09303720492444 0.91548270511349 15.999 > 23 26 O 0.92696384645083 0.09303720492444 0.58451729488651 15.999 > 24 27 O 0.92696384645083 0.90696279507556 0.08451729488651 15.999 > 25 28 O 0.07303615354917 0.90696279507556 0.41548270511349 15.999 > 26 29 O 0.65863853451629 0.12001020033617 0.58457458879211 15.999 > 3 30 O 0.84136146548371 0.62001020033617 0.91542541120789 15.999 > 4 31 O 0.34136146548371 0.87998979966383 0.41542541120789 15.999 > 5 32 O 0.15863853451629 0.37998979966383 0.08457458879211 15.999 > 6 33 O 0.74392126720090 0.91666069173199 0.84451093500442 15.999 > 7 34 O 0.75607873279910 0.41666069173199 0.65548906499558 15.999 > 8 35 O 0.25607873279910 0.08333930826801 0.15548906499558 15.999 > 9 36 O 0.24392126720089 0.58333930826801 0.34451093500442 15.999 > 10 37 O 0.56479801289965 0.00433182133882 0.20212893861293 15.999 > 11 38 O 0.43520198710035 0.00433182133882 0.29787106138707 15.999 > 12 39 O 0.43520198710035 0.99566817866118 0.79787106138707 15.999 > 13 40 O 0.56479801289965 0.99566817866118 0.70212893861293 15.999 > 14 41 O 0.11378180459029 0.72064969796445 0.04844074617295 15.999 > 15 42 O 0.38621819540971 0.22064969796445 0.45155925382705 15.999 > 16 43 O 0.88621819540971 0.27935030203555 0.95155925382705 15.999 > 17 44 O 0.61378180459029 0.77935030203555 0.54844074617295 15.999 > 18 45 O 0.12938192086354 0.11300899253158 0.22532937697735 15.999 > 19 46 O 0.37061807913646 0.61300899253158 0.27467062302265 15.999 > 20 47 O 0.87061807913646 0.88699100746842 0.77467062302265 15.999 > 21 48 O 0.62938192086354 0.38699100746842 0.72532937697735 15.999 > 22 49 O 0.57303615354917 0.59303720492444 0.91548270511349 15.999 > 23 50 O 0.42696384645083 0.59303720492444 0.58451729488651 15.999 > 24 51 O 0.42696384645083 0.40696279507556 0.08451729488651 15.999 > 25 52 O 0.57303615354917 0.40696279507556 0.41548270511349 15.999 > 26 *53 P 0.14777560477332 0.84540648292826 0.59624939653770 30.974 > 27 54 P 0.35222439522669 0.34540648292826 0.90375060346230 30.974 > 28 55 P 0.85222439522669 0.15459351707174 0.40375060346230 30.974 > 29 56 P 0.64777560477331 0.65459351707174 0.09624939653770 30.974 > 30 *57 P 0.13772383486116 0.44419946339202 0.66255402423745 30.974 > 31 58 P 0.36227616513884 0.94419946339202 0.83744597576255 30.974 > 32 59 P 0.86227616513884 0.55580053660798 0.33744597576255 30.974 > 33 60 P 0.63772383486116 0.05580053660798 0.16255402423745 30.974 > 34 61 P 0.64777560477331 0.34540648292826 0.59624939653770 30.974 > 27 62 P 0.85222439522669 0.84540648292826 0.90375060346230 30.974 > 28 63 P 0.35222439522669 0.65459351707174 0.40375060346230 30.974 > 29 64 P 0.14777560477332 0.15459351707174 0.09624939653770 30.974 > 30 65 P 0.63772383486116 0.94419946339202 0.66255402423745 30.974 > 31 66 P 0.86227616513884 0.44419946339202 0.83744597576255 30.974 > 32 67 P 0.36227616513884 0.05580053660798 0.33744597576255 30.974 > 33 68 P 0.13772383486116 0.55580053660798 0.16255402423745 30.974 > 34 *69 Nd 0.00000000000000 0.20214087081010 0.25000000000000 144.242 > 35 70 Nd 0.00000000000000 0.79785912918990 0.75000000000000 144.242 > 36 71 Nd 0.50000000000000 0.70214087081010 0.25000000000000 144.242 > 35 72 Nd 0.50000000000000 0.29785912918990 0.75000000000000 144.242 > 36-------------------------------- super cell --------------------------------Lattice vectors: a 16.466983980535570 0.000000000000000 0.000000000000000 b 0.000000000000000 14.112227939999999 0.000000000000000 c -5.803004584782996 0.000000000000000 7.878833037694238Atomic positions (fractional): *1 Li 0.00000000000000 0.35175850359147 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.85175850359147 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.14824149640853 0.75000000000000 6.941 > 2 4 Li 0.00000000000000 0.64824149640853 0.75000000000000 6.941 > 2 5 Li 0.50000000000000 0.10175850359147 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.60175850359147 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.39824149640853 0.75000000000000 6.941 > 2 8 Li 0.50000000000000 0.89824149640853 0.75000000000000 6.941 > 2 *9 O 0.15863853451629 0.31000510016808 0.58457458879211 15.999 > 3 10 O 0.15863853451629 0.81000510016808 0.58457458879211 15.999 > 3 11 O 0.34136146548371 0.06000510016808 0.91542541120789 15.999 > 4 12 O 0.34136146548371 0.56000510016808 0.91542541120789 15.999 > 4 13 O 0.84136146548371 0.18999489983192 0.41542541120789 15.999 > 5 14 O 0.84136146548371 0.68999489983192 0.41542541120789 15.999 > 5 15 O 0.65863853451629 0.43999489983192 0.08457458879211 15.999 > 6 16 O 0.65863853451629 0.93999489983192 0.08457458879211 15.999 > 6 *17 O 0.24392126720089 0.20833034586600 0.84451093500442 15.999 > 7 18 O 0.24392126720089 0.70833034586600 0.84451093500442 15.999 > 7 19 O 0.25607873279910 0.45833034586600 0.65548906499558 15.999 > 8 20 O 0.25607873279910 0.95833034586600 0.65548906499558 15.999 > 8 21 O 0.75607873279910 0.29166965413400 0.15548906499558 15.999 > 9 22 O 0.75607873279910 0.79166965413400 0.15548906499558 15.999 > 9 23 O 0.74392126720090 0.04166965413400 0.34451093500442 15.999 > 10 24 O 0.74392126720090 0.54166965413400 0.34451093500442 15.999 > 10 *25 O 0.06479801289965 0.25216591066941 0.20212893861293 15.999 > 11 26 O 0.06479801289965 0.75216591066941 0.20212893861293 15.999 > 11 27 O 0.93520198710035 0.25216591066941 0.29787106138707 15.999 > 12 28 O 0.93520198710035 0.75216591066941 0.29787106138707 15.999 > 12 29 O 0.93520198710035 0.24783408933059 0.79787106138707 15.999 > 13 30 O 0.93520198710035 0.74783408933059 0.79787106138707 15.999 > 13 31 O 0.06479801289965 0.24783408933059 0.70212893861293 15.999 > 14 32 O 0.06479801289965 0.74783408933059 0.70212893861293 15.999 > 14 *33 O 0.61378180459029 0.11032484898223 0.04844074617295 15.999 > 15 34 O 0.61378180459029 0.61032484898223 0.04844074617295 15.999 > 15 35 O 0.88621819540971 0.36032484898223 0.45155925382705 15.999 > 16 36 O 0.88621819540971 0.86032484898223 0.45155925382705 15.999 > 16 37 O 0.38621819540971 0.38967515101777 0.95155925382705 15.999 > 17 38 O 0.38621819540971 0.88967515101777 0.95155925382705 15.999 > 17 39 O 0.11378180459029 0.13967515101777 0.54844074617295 15.999 > 18 40 O 0.11378180459029 0.63967515101777 0.54844074617295 15.999 > 18 *41 O 0.62938192086354 0.30650449626579 0.22532937697735 15.999 > 19 42 O 0.62938192086354 0.80650449626579 0.22532937697735 15.999 > 19 43 O 0.87061807913646 0.05650449626579 0.27467062302265 15.999 > 20 44 O 0.87061807913646 0.55650449626579 0.27467062302265 15.999 > 20 45 O 0.37061807913646 0.19349550373421 0.77467062302265 15.999 > 21 46 O 0.37061807913646 0.69349550373421 0.77467062302265 15.999 > 21 47 O 0.12938192086354 0.44349550373421 0.72532937697735 15.999 > 22 48 O 0.12938192086354 0.94349550373421 0.72532937697735 15.999 > 22 *49 O 0.07303615354917 0.04651860246222 0.91548270511349 15.999 > 23 50 O 0.07303615354917 0.54651860246222 0.91548270511349 15.999 > 23 51 O 0.92696384645083 0.04651860246222 0.58451729488651 15.999 > 24 52 O 0.92696384645083 0.54651860246222 0.58451729488651 15.999 > 24 53 O 0.92696384645083 0.45348139753778 0.08451729488651 15.999 > 25 54 O 0.92696384645083 0.95348139753778 0.08451729488651 15.999 > 25 55 O 0.07303615354917 0.45348139753778 0.41548270511349 15.999 > 26 56 O 0.07303615354917 0.95348139753778 0.41548270511349 15.999 > 26 57 O 0.65863853451629 0.06000510016808 0.58457458879211 15.999 > 3 58 O 0.65863853451629 0.56000510016808 0.58457458879211 15.999 > 3 59 O 0.84136146548371 0.31000510016808 0.91542541120789 15.999 > 4 60 O 0.84136146548371 0.81000510016808 0.91542541120789 15.999 > 4 61 O 0.34136146548371 0.43999489983192 0.41542541120789 15.999 > 5 62 O 0.34136146548371 0.93999489983192 0.41542541120789 15.999 > 5 63 O 0.15863853451629 0.18999489983192 0.08457458879211 15.999 > 6 64 O 0.15863853451629 0.68999489983192 0.08457458879211 15.999 > 6 65 O 0.74392126720090 0.45833034586600 0.84451093500442 15.999 > 7 66 O 0.74392126720090 0.95833034586600 0.84451093500442 15.999 > 7 67 O 0.75607873279910 0.20833034586600 0.65548906499558 15.999 > 8 68 O 0.75607873279910 0.70833034586600 0.65548906499558 15.999 > 8 69 O 0.25607873279910 0.04166965413400 0.15548906499558 15.999 > 9 70 O 0.25607873279910 0.54166965413400 0.15548906499558 15.999 > 9 71 O 0.24392126720089 0.29166965413400 0.34451093500442 15.999 > 10 72 O 0.24392126720089 0.79166965413400 0.34451093500442 15.999 > 10 73 O 0.56479801289965 0.00216591066941 0.20212893861293 15.999 > 11 74 O 0.56479801289965 0.50216591066941 0.20212893861293 15.999 > 11 75 O 0.43520198710035 0.00216591066941 0.29787106138707 15.999 > 12 76 O 0.43520198710035 0.50216591066941 0.29787106138707 15.999 > 12 77 O 0.43520198710035 0.49783408933059 0.79787106138707 15.999 > 13 78 O 0.43520198710035 0.99783408933059 0.79787106138707 15.999 > 13 79 O 0.56479801289965 0.49783408933059 0.70212893861293 15.999 > 14 80 O 0.56479801289965 0.99783408933059 0.70212893861293 15.999 > 14 81 O 0.11378180459029 0.36032484898223 0.04844074617295 15.999 > 15 82 O 0.11378180459029 0.86032484898223 0.04844074617295 15.999 > 15 83 O 0.38621819540971 0.11032484898223 0.45155925382705 15.999 > 16 84 O 0.38621819540971 0.61032484898223 0.45155925382705 15.999 > 16 85 O 0.88621819540971 0.13967515101777 0.95155925382705 15.999 > 17 86 O 0.88621819540971 0.63967515101777 0.95155925382705 15.999 > 17 87 O 0.61378180459029 0.38967515101777 0.54844074617295 15.999 > 18 88 O 0.61378180459029 0.88967515101777 0.54844074617295 15.999 > 18 89 O 0.12938192086354 0.05650449626579 0.22532937697735 15.999 > 19 90 O 0.12938192086354 0.55650449626579 0.22532937697735 15.999 > 19 91 O 0.37061807913646 0.30650449626579 0.27467062302265 15.999 > 20 92 O 0.37061807913646 0.80650449626579 0.27467062302265 15.999 > 20 93 O 0.87061807913646 0.44349550373421 0.77467062302265 15.999 > 21 94 O 0.87061807913646 0.94349550373421 0.77467062302265 15.999 > 21 95 O 0.62938192086354 0.19349550373421 0.72532937697735 15.999 > 22 96 O 0.62938192086354 0.69349550373421 0.72532937697735 15.999 > 22 97 O 0.57303615354917 0.29651860246222 0.91548270511349 15.999 > 23 98 O 0.57303615354917 0.79651860246222 0.91548270511349 15.999 > 23 99 O 0.42696384645083 0.29651860246222 0.58451729488651 15.999 > 24 100 O 0.42696384645083 0.79651860246222 0.58451729488651 15.999 > 24 101 O 0.42696384645083 0.20348139753778 0.08451729488651 15.999 > 25 102 O 0.42696384645083 0.70348139753778 0.08451729488651 15.999 > 25 103 O 0.57303615354917 0.20348139753778 0.41548270511349 15.999 > 26 104 O 0.57303615354917 0.70348139753778 0.41548270511349 15.999 > 26 *105 P 0.14777560477332 0.42270324146413 0.59624939653770 30.974 > 27 106 P 0.14777560477332 0.92270324146413 0.59624939653770 30.974 > 27 107 P 0.35222439522669 0.17270324146413 0.90375060346230 30.974 > 28 108 P 0.35222439522669 0.67270324146413 0.90375060346230 30.974 > 28 109 P 0.85222439522669 0.07729675853587 0.40375060346230 30.974 > 29 110 P 0.85222439522669 0.57729675853587 0.40375060346230 30.974 > 29 111 P 0.64777560477331 0.32729675853587 0.09624939653770 30.974 > 30 112 P 0.64777560477331 0.82729675853587 0.09624939653770 30.974 > 30 *113 P 0.13772383486116 0.22209973169601 0.66255402423745 30.974 > 31 114 P 0.13772383486116 0.72209973169601 0.66255402423745 30.974 > 31 115 P 0.36227616513884 0.47209973169601 0.83744597576255 30.974 > 32 116 P 0.36227616513884 0.97209973169601 0.83744597576255 30.974 > 32 117 P 0.86227616513884 0.27790026830399 0.33744597576255 30.974 > 33 118 P 0.86227616513884 0.77790026830399 0.33744597576255 30.974 > 33 119 P 0.63772383486116 0.02790026830399 0.16255402423745 30.974 > 34 120 P 0.63772383486116 0.52790026830399 0.16255402423745 30.974 > 34 121 P 0.64777560477331 0.17270324146413 0.59624939653770 30.974 > 27 122 P 0.64777560477331 0.67270324146413 0.59624939653770 30.974 > 27 123 P 0.85222439522669 0.42270324146413 0.90375060346230 30.974 > 28 124 P 0.85222439522669 0.92270324146413 0.90375060346230 30.974 > 28 125 P 0.35222439522669 0.32729675853587 0.40375060346230 30.974 > 29 126 P 0.35222439522669 0.82729675853587 0.40375060346230 30.974 > 29 127 P 0.14777560477332 0.07729675853587 0.09624939653770 30.974 > 30 128 P 0.14777560477332 0.57729675853587 0.09624939653770 30.974 > 30 129 P 0.63772383486116 0.47209973169601 0.66255402423745 30.974 > 31 130 P 0.63772383486116 0.97209973169601 0.66255402423745 30.974 > 31 131 P 0.86227616513884 0.22209973169601 0.83744597576255 30.974 > 32 132 P 0.86227616513884 0.72209973169601 0.83744597576255 30.974 > 32 133 P 0.36227616513884 0.02790026830399 0.33744597576255 30.974 > 33 134 P 0.36227616513884 0.52790026830399 0.33744597576255 30.974 > 33 135 P 0.13772383486116 0.27790026830399 0.16255402423745 30.974 > 34 136 P 0.13772383486116 0.77790026830399 0.16255402423745 30.974 > 34 *137 Nd 0.00000000000000 0.10107043540505 0.25000000000000 144.242 > 35 138 Nd 0.00000000000000 0.60107043540505 0.25000000000000 144.242 > 35 139 Nd 0.00000000000000 0.39892956459495 0.75000000000000 144.242 > 36 140 Nd 0.00000000000000 0.89892956459495 0.75000000000000 144.242 > 36 141 Nd 0.50000000000000 0.35107043540505 0.25000000000000 144.242 > 35 142 Nd 0.50000000000000 0.85107043540505 0.25000000000000 144.242 > 35 143 Nd 0.50000000000000 0.14892956459495 0.75000000000000 144.242 > 36 144 Nd 0.50000000000000 0.64892956459495 0.75000000000000 144.242 > 36----------------------------------------------------------------------------NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.7567123 0.0000000 0.0261799 0.0000000 2.7574240 0.0000000 0.0261795 0.0000000 2.7510423-------------------------- Born effective charges -------------------------- 1 Li 1.0216527 0.0000000 -0.0839104 0.0000000 1.0893822 0.0000000 -0.0543725 0.0000000 1.1940550 2 Li 1.0216527 0.0000000 -0.0839104 0.0000000 1.0893822 0.0000000 -0.0543725 0.0000000 1.1940550 3 O -1.0767140 -0.2433656 0.0780424 -0.3665358 -3.0154059 0.4017887 0.0841324 0.2263294 -1.0314797 4 O -1.0767140 0.2433656 0.0780424 0.3665358 -3.0154059 -0.4017887 0.0841324 -0.2263294 -1.0314797 5 O -1.0767140 -0.2433656 0.0780424 -0.3665358 -3.0154059 0.4017887 0.0841324 0.2263294 -1.0314797 6 O -1.0767140 0.2433656 0.0780424 0.3665358 -3.0154059 -0.4017887 0.0841324 -0.2263294 -1.0314797 7 O -2.2853499 0.4406850 -1.1113062 0.6132192 -1.0908958 0.4664676 -1.1113233 0.2534497 -1.9470488 8 O -2.2853499 -0.4406850 -1.1113062 -0.6132192 -1.0908958 -0.4664676 -1.1113233 -0.2534497 -1.9470488 9 O -2.2853499 0.4406850 -1.1113062 0.6132192 -1.0908958 0.4664676 -1.1113233 0.2534497 -1.9470488 10 O -2.2853499 -0.4406850 -1.1113062 -0.6132192 -1.0908958 -0.4664676 -1.1113233 -0.2534497 -1.9470488 11 O -2.1513901 -0.4460728 0.2002597 -0.3143522 -1.4365951 0.0557336 0.2208773 0.1431892 -1.0960119 12 O -2.1513901 0.4460728 0.2002597 0.3143522 -1.4365951 -0.0557336 0.2208773 -0.1431892 -1.0960119 13 O -2.1513901 -0.4460728 0.2002597 -0.3143522 -1.4365951 0.0557336 0.2208773 0.1431892 -1.0960119 14 O -2.1513901 0.4460728 0.2002597 0.3143522 -1.4365951 -0.0557336 0.2208773 -0.1431892 -1.0960119 15 O -1.0310798 -0.0869747 -0.1376687 -0.1688554 -1.6545931 0.6448149 0.0290017 0.7107354 -2.0787507 16 O -1.0310798 0.0869747 -0.1376687 0.1688554 -1.6545931 -0.6448149 0.0290017 -0.7107354 -2.0787507 17 O -1.0310798 -0.0869747 -0.1376687 -0.1688554 -1.6545931 0.6448149 0.0290017 0.7107354 -2.0787507 18 O -1.0310798 0.0869747 -0.1376687 0.1688554 -1.6545931 -0.6448149 0.0290017 -0.7107354 -2.0787507 19 O -2.3062102 0.1109426 0.5665667 0.1366143 -1.1013355 -0.0050818 0.3907283 0.0208851 -1.2427105 20 O -2.3062102 -0.1109426 0.5665667 -0.1366143 -1.1013355 0.0050818 0.3907283 -0.0208851 -1.2427105 21 O -2.3062102 0.1109426 0.5665667 0.1366143 -1.1013355 -0.0050818 0.3907283 0.0208851 -1.2427105 22 O -2.3062102 -0.1109426 0.5665667 -0.1366143 -1.1013355 0.0050818 0.3907283 -0.0208851 -1.2427105 23 O -0.9862452 -0.0352508 -0.0900419 -0.0435567 -1.6860271 -0.6323364 -0.1832281 -0.4983276 -2.2007514 24 O -0.9862452 0.0352508 -0.0900419 0.0435567 -1.6860271 0.6323364 -0.1832281 0.4983276 -2.2007514 25 O -0.9862452 -0.0352508 -0.0900419 -0.0435567 -1.6860271 -0.6323364 -0.1832281 -0.4983276 -2.2007514 26 O -0.9862452 0.0352508 -0.0900419 0.0435567 -1.6860271 0.6323364 -0.1832281 0.4983276 -2.2007514 27 P 3.6263814 0.2506701 -0.1182234 0.2251204 3.7897991 -0.3207942 0.7249200 0.0165140 3.4375672 28 P 3.6263814 -0.2506701 -0.1182234 -0.2251204 3.7897991 0.3207942 0.7249200 -0.0165140 3.4375672 29 P 3.6263814 0.2506701 -0.1182234 0.2251204 3.7897991 -0.3207942 0.7249200 0.0165140 3.4375672 30 P 3.6263814 -0.2506701 -0.1182234 -0.2251204 3.7897991 0.3207942 0.7249200 -0.0165140 3.4375672 31 P 3.5782204 -0.2098488 0.8354351 0.0316510 3.6860675 -0.4392041 0.1350736 0.3784907 3.4194505 32 P 3.5782204 0.2098488 0.8354351 -0.0316510 3.6860675 0.4392041 0.1350736 -0.3784907 3.4194505 33 P 3.5782204 -0.2098488 0.8354351 0.0316510 3.6860675 -0.4392041 0.1350736 0.3784907 3.4194505 34 P 3.5782204 0.2098488 0.8354351 -0.0316510 3.6860675 0.4392041 0.1350736 -0.3784907 3.4194505 35 Nd 4.2431222 0.0000000 -0.3622172 0.0000000 3.9285896 0.0000000 -0.5259915 0.0000000 4.2854156 36 Nd 4.2431222 0.0000000 -0.3622172 0.0000000 3.9285896 0.0000000 -0.5259915 0.0000000 4.2854156----------------------------------------------------------------------------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: 432/432Permutation basis: 29268/29268Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 6002Number of blocks in projector: 6002Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1312Use 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) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 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: 1280Use submatrix version of eigh solver.(1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1280 / 1280(1) 264 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: 1280Use submatrix version of eigh solver.(1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1280 / 1280(1) 264 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: 710Use submatrix version of eigh solver.(1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found.(1) 490 eigenvectors found.(1) Block: 710 / 710(1) 201 eigenvectors found.(1) Complementary block size: 19(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 710Use submatrix version of eigh solver.(1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found.(1) 490 eigenvectors found.(1) Block: 710 / 710(1) 201 eigenvectors found.(1) Complementary block size: 19(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 710Use submatrix version of eigh solver.(1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found.(1) 490 eigenvectors found.(1) Block: 710 / 710(1) 201 eigenvectors found.(1) Complementary block size: 19(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.Tree of FC basis block matrices:- (6002, 5921), data: False|-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True|-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True|-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True|-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 264), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True|-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 264), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), 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, 13), data: (500, 28) @ (28, 13) |-- (250, 237), 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 / 144Time (Solver_compr_matrix_reshape): 0.004Solver_block: 100 / 1120 - Time: 1.957Solver_block: 200 / 1120 - Time: 1.740Solver_block: 300 / 1120 - Time: 1.747Solver_block: 400 / 1120 - Time: 1.746Solver_block: 500 / 1120 - Time: 1.751Solver_block: 600 / 1120 - Time: 1.748Solver_block: 700 / 1120 - Time: 1.746Solver_block: 800 / 1120 - Time: 1.751Solver_block: 900 / 1120 - Time: 1.743Solver_block: 1000 / 1120 - Time: 1.745Solver_block: 1100 / 1120 - Time: 1.747Solver_block: 1120 / 1120 - Time: 0.534Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.479--------------------------------- Symfc end --------------------------------Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 432/432Permutation basis: 29268/29268Construct permutation basis matrix.Finding block diagonal structure in projector.Using scipy connected_components.Rank of projector: 6002Number of blocks in projector: 6002Finding block diagonal structure in projector.Using scipy connected_components.Number of blocks in projector (Sum rule): 6--- Eigsh_solver_block: 1 / 6 ---Block_size: 1312Use 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) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 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: 1280Use submatrix version of eigh solver.(1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1280 / 1280(1) 264 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: 1280Use submatrix version of eigh solver.(1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found.(1) 484 eigenvectors found.(1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found.(1) 486 eigenvectors found.(1) Block: 1280 / 1280(1) 264 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: 710Use submatrix version of eigh solver.(1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found.(1) 490 eigenvectors found.(1) Block: 710 / 710(1) 201 eigenvectors found.(1) Complementary block size: 19(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 5 / 6 ---Block_size: 710Use submatrix version of eigh solver.(1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found.(1) 490 eigenvectors found.(1) Block: 710 / 710(1) 201 eigenvectors found.(1) Complementary block size: 19(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.--- Eigsh_solver_block: 6 / 6 ---Block_size: 710Use submatrix version of eigh solver.(1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 241 eigenvectors found. (2) Complementary block size: 19 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found.(1) 490 eigenvectors found.(1) Block: 710 / 710(1) 201 eigenvectors found.(1) Complementary block size: 19(1) Compute compressed projector.(1) Use standard solver.(1) 9 eigenvectors found.Tree of FC basis block matrices:- (6002, 5921), data: False|-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True|-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True|-- (710, 700), data: False |-- (710, 9), data: (710, 19) @ (19, 9) |-- (210, 201), data: True |-- (500, 490), data: False |-- (500, 9), data: (500, 19) @ (19, 9) |-- (250, 241), data: True |-- (250, 240), data: True|-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 264), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True|-- (1280, 1264), data: False |-- (1280, 30), data: (1280, 46) @ (46, 30) |-- (280, 264), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), 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, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: TrueMax 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 04:47:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate fc3 ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 04:47:42]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: force constantsHDF5 data compression filter: gzipCrystal 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 8.233491990267785 -3.528056985000000 0.000000000000000 b 8.233491990267785 3.528056985000000 0.000000000000000 c -5.803004584782996 0.000000000000000 7.878833037694238Atomic positions (fractional): 1 Li 0.29648299281707 0.70351700718293 0.25000000000000 6.941 2 Li 0.70351700718293 0.29648299281707 0.75000000000000 6.941 3 O 0.53862833418012 0.77864873485246 0.58457458879211 15.999 4 O 0.22135126514754 0.46137166581988 0.91542541120789 15.999 5 O 0.46137166581988 0.22135126514754 0.41542541120789 15.999 6 O 0.77864873485246 0.53862833418012 0.08457458879211 15.999 7 O 0.82726057546890 0.66058195893289 0.84451093500442 15.999 8 O 0.33941804106711 0.17273942453110 0.65548906499558 15.999 9 O 0.17273942453110 0.33941804106711 0.15548906499558 15.999 10 O 0.66058195893289 0.82726057546890 0.34451093500442 15.999 11 O 0.56046619156083 0.56912983423847 0.20212893861293 15.999 12 O 0.43087016576153 0.43953380843917 0.29787106138707 15.999 13 O 0.43953380843917 0.43087016576153 0.79787106138707 15.999 14 O 0.56912983423847 0.56046619156083 0.70212893861293 15.999 15 O 0.39313210662584 0.83443150255474 0.04844074617295 15.999 16 O 0.16556849744526 0.60686789337416 0.45155925382705 15.999 17 O 0.60686789337416 0.16556849744526 0.95155925382705 15.999 18 O 0.83443150255474 0.39313210662584 0.54844074617295 15.999 19 O 0.01637292833196 0.24239091339512 0.22532937697735 15.999 20 O 0.75760908660488 0.98362707166804 0.27467062302265 15.999 21 O 0.98362707166804 0.75760908660488 0.77467062302265 15.999 22 O 0.24239091339512 0.01637292833196 0.72532937697735 15.999 23 O 0.97999894862473 0.16607335847361 0.91548270511349 15.999 24 O 0.83392664152639 0.02000105137527 0.58451729488651 15.999 25 O 0.02000105137527 0.83392664152639 0.08451729488651 15.999 26 O 0.16607335847361 0.97999894862473 0.41548270511349 15.999 27 P 0.30236912184506 0.99318208770157 0.59624939653770 30.974 28 P 0.00681791229843 0.69763087815494 0.90375060346230 30.974 29 P 0.69763087815494 0.00681791229843 0.40375060346230 30.974 30 P 0.99318208770157 0.30236912184506 0.09624939653770 30.974 31 P 0.69352437146914 0.58192329825318 0.66255402423745 30.974 32 P 0.41807670174682 0.30647562853086 0.83744597576255 30.974 33 P 0.30647562853086 0.41807670174682 0.33744597576255 30.974 34 P 0.58192329825318 0.69352437146914 0.16255402423745 30.974 35 Nd 0.79785912918990 0.20214087081010 0.25000000000000 144.242 36 Nd 0.20214087081010 0.79785912918990 0.75000000000000 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 16.466983980535570 0.000000000000000 0.000000000000000 b 0.000000000000000 14.112227939999999 0.000000000000000 c -5.803004584782996 0.000000000000000 7.878833037694238Atomic positions (fractional): 1 Li 0.00000000000000 0.35175850359147 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.85175850359147 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.14824149640853 0.75000000000000 6.941 > 3 4 Li 0.00000000000000 0.64824149640853 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.10175850359147 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.60175850359147 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.39824149640853 0.75000000000000 6.941 > 3 8 Li 0.50000000000000 0.89824149640853 0.75000000000000 6.941 > 3 9 O 0.15863853451629 0.31000510016808 0.58457458879211 15.999 > 9 10 O 0.15863853451629 0.81000510016808 0.58457458879211 15.999 > 9 11 O 0.34136146548371 0.06000510016808 0.91542541120789 15.999 > 11 12 O 0.34136146548371 0.56000510016808 0.91542541120789 15.999 > 11 13 O 0.84136146548371 0.18999489983192 0.41542541120789 15.999 > 13 14 O 0.84136146548371 0.68999489983192 0.41542541120789 15.999 > 13 15 O 0.65863853451629 0.43999489983192 0.08457458879211 15.999 > 15 16 O 0.65863853451629 0.93999489983192 0.08457458879211 15.999 > 15 17 O 0.24392126720089 0.20833034586600 0.84451093500442 15.999 > 17 18 O 0.24392126720089 0.70833034586600 0.84451093500442 15.999 > 17 19 O 0.25607873279910 0.45833034586600 0.65548906499558 15.999 > 19 20 O 0.25607873279910 0.95833034586600 0.65548906499558 15.999 > 19 21 O 0.75607873279910 0.29166965413400 0.15548906499558 15.999 > 21 22 O 0.75607873279910 0.79166965413400 0.15548906499558 15.999 > 21 23 O 0.74392126720090 0.04166965413400 0.34451093500442 15.999 > 23 24 O 0.74392126720090 0.54166965413400 0.34451093500442 15.999 > 23 25 O 0.06479801289965 0.25216591066941 0.20212893861293 15.999 > 25 26 O 0.06479801289965 0.75216591066941 0.20212893861293 15.999 > 25 27 O 0.93520198710035 0.25216591066941 0.29787106138707 15.999 > 27 28 O 0.93520198710035 0.75216591066941 0.29787106138707 15.999 > 27 29 O 0.93520198710035 0.24783408933059 0.79787106138707 15.999 > 29 30 O 0.93520198710035 0.74783408933059 0.79787106138707 15.999 > 29 31 O 0.06479801289965 0.24783408933059 0.70212893861293 15.999 > 31 32 O 0.06479801289965 0.74783408933059 0.70212893861293 15.999 > 31 33 O 0.61378180459029 0.11032484898223 0.04844074617295 15.999 > 33 34 O 0.61378180459029 0.61032484898223 0.04844074617295 15.999 > 33 35 O 0.88621819540971 0.36032484898223 0.45155925382705 15.999 > 35 36 O 0.88621819540971 0.86032484898223 0.45155925382705 15.999 > 35 37 O 0.38621819540971 0.38967515101777 0.95155925382705 15.999 > 37 38 O 0.38621819540971 0.88967515101777 0.95155925382705 15.999 > 37 39 O 0.11378180459029 0.13967515101777 0.54844074617295 15.999 > 39 40 O 0.11378180459029 0.63967515101777 0.54844074617295 15.999 > 39 41 O 0.62938192086354 0.30650449626579 0.22532937697735 15.999 > 41 42 O 0.62938192086354 0.80650449626579 0.22532937697735 15.999 > 41 43 O 0.87061807913646 0.05650449626579 0.27467062302265 15.999 > 43 44 O 0.87061807913646 0.55650449626579 0.27467062302265 15.999 > 43 45 O 0.37061807913646 0.19349550373421 0.77467062302265 15.999 > 45 46 O 0.37061807913646 0.69349550373421 0.77467062302265 15.999 > 45 47 O 0.12938192086354 0.44349550373421 0.72532937697735 15.999 > 47 48 O 0.12938192086354 0.94349550373421 0.72532937697735 15.999 > 47 49 O 0.07303615354917 0.04651860246222 0.91548270511349 15.999 > 49 50 O 0.07303615354917 0.54651860246222 0.91548270511349 15.999 > 49 51 O 0.92696384645083 0.04651860246222 0.58451729488651 15.999 > 51 52 O 0.92696384645083 0.54651860246222 0.58451729488651 15.999 > 51 53 O 0.92696384645083 0.45348139753778 0.08451729488651 15.999 > 53 54 O 0.92696384645083 0.95348139753778 0.08451729488651 15.999 > 53 55 O 0.07303615354917 0.45348139753778 0.41548270511349 15.999 > 55 56 O 0.07303615354917 0.95348139753778 0.41548270511349 15.999 > 55 57 O 0.65863853451629 0.06000510016808 0.58457458879211 15.999 > 9 58 O 0.65863853451629 0.56000510016808 0.58457458879211 15.999 > 9 59 O 0.84136146548371 0.31000510016808 0.91542541120789 15.999 > 11 60 O 0.84136146548371 0.81000510016808 0.91542541120789 15.999 > 11 61 O 0.34136146548371 0.43999489983192 0.41542541120789 15.999 > 13 62 O 0.34136146548371 0.93999489983192 0.41542541120789 15.999 > 13 63 O 0.15863853451629 0.18999489983192 0.08457458879211 15.999 > 15 64 O 0.15863853451629 0.68999489983192 0.08457458879211 15.999 > 15 65 O 0.74392126720090 0.45833034586600 0.84451093500442 15.999 > 17 66 O 0.74392126720090 0.95833034586600 0.84451093500442 15.999 > 17 67 O 0.75607873279910 0.20833034586600 0.65548906499558 15.999 > 19 68 O 0.75607873279910 0.70833034586600 0.65548906499558 15.999 > 19 69 O 0.25607873279910 0.04166965413400 0.15548906499558 15.999 > 21 70 O 0.25607873279910 0.54166965413400 0.15548906499558 15.999 > 21 71 O 0.24392126720089 0.29166965413400 0.34451093500442 15.999 > 23 72 O 0.24392126720089 0.79166965413400 0.34451093500442 15.999 > 23 73 O 0.56479801289965 0.00216591066941 0.20212893861293 15.999 > 25 74 O 0.56479801289965 0.50216591066941 0.20212893861293 15.999 > 25 75 O 0.43520198710035 0.00216591066941 0.29787106138707 15.999 > 27 76 O 0.43520198710035 0.50216591066941 0.29787106138707 15.999 > 27 77 O 0.43520198710035 0.49783408933059 0.79787106138707 15.999 > 29 78 O 0.43520198710035 0.99783408933059 0.79787106138707 15.999 > 29 79 O 0.56479801289965 0.49783408933059 0.70212893861293 15.999 > 31 80 O 0.56479801289965 0.99783408933059 0.70212893861293 15.999 > 31 81 O 0.11378180459029 0.36032484898223 0.04844074617295 15.999 > 33 82 O 0.11378180459029 0.86032484898223 0.04844074617295 15.999 > 33 83 O 0.38621819540971 0.11032484898223 0.45155925382705 15.999 > 35 84 O 0.38621819540971 0.61032484898223 0.45155925382705 15.999 > 35 85 O 0.88621819540971 0.13967515101777 0.95155925382705 15.999 > 37 86 O 0.88621819540971 0.63967515101777 0.95155925382705 15.999 > 37 87 O 0.61378180459029 0.38967515101777 0.54844074617295 15.999 > 39 88 O 0.61378180459029 0.88967515101777 0.54844074617295 15.999 > 39 89 O 0.12938192086354 0.05650449626579 0.22532937697735 15.999 > 41 90 O 0.12938192086354 0.55650449626579 0.22532937697735 15.999 > 41 91 O 0.37061807913646 0.30650449626579 0.27467062302265 15.999 > 43 92 O 0.37061807913646 0.80650449626579 0.27467062302265 15.999 > 43 93 O 0.87061807913646 0.44349550373421 0.77467062302265 15.999 > 45 94 O 0.87061807913646 0.94349550373421 0.77467062302265 15.999 > 45 95 O 0.62938192086354 0.19349550373421 0.72532937697735 15.999 > 47 96 O 0.62938192086354 0.69349550373421 0.72532937697735 15.999 > 47 97 O 0.57303615354917 0.29651860246222 0.91548270511349 15.999 > 49 98 O 0.57303615354917 0.79651860246222 0.91548270511349 15.999 > 49 99 O 0.42696384645083 0.29651860246222 0.58451729488651 15.999 > 51 100 O 0.42696384645083 0.79651860246222 0.58451729488651 15.999 > 51 101 O 0.42696384645083 0.20348139753778 0.08451729488651 15.999 > 53 102 O 0.42696384645083 0.70348139753778 0.08451729488651 15.999 > 53 103 O 0.57303615354917 0.20348139753778 0.41548270511349 15.999 > 55 104 O 0.57303615354917 0.70348139753778 0.41548270511349 15.999 > 55 105 P 0.14777560477332 0.42270324146413 0.59624939653770 30.974 > 105 106 P 0.14777560477332 0.92270324146413 0.59624939653770 30.974 > 105 107 P 0.35222439522669 0.17270324146413 0.90375060346230 30.974 > 107 108 P 0.35222439522669 0.67270324146413 0.90375060346230 30.974 > 107 109 P 0.85222439522669 0.07729675853587 0.40375060346230 30.974 > 109 110 P 0.85222439522669 0.57729675853587 0.40375060346230 30.974 > 109 111 P 0.64777560477331 0.32729675853587 0.09624939653770 30.974 > 111 112 P 0.64777560477331 0.82729675853587 0.09624939653770 30.974 > 111 113 P 0.13772383486116 0.22209973169601 0.66255402423745 30.974 > 113 114 P 0.13772383486116 0.72209973169601 0.66255402423745 30.974 > 113 115 P 0.36227616513884 0.47209973169601 0.83744597576255 30.974 > 115 116 P 0.36227616513884 0.97209973169601 0.83744597576255 30.974 > 115 117 P 0.86227616513884 0.27790026830399 0.33744597576255 30.974 > 117 118 P 0.86227616513884 0.77790026830399 0.33744597576255 30.974 > 117 119 P 0.63772383486116 0.02790026830399 0.16255402423745 30.974 > 119 120 P 0.63772383486116 0.52790026830399 0.16255402423745 30.974 > 119 121 P 0.64777560477331 0.17270324146413 0.59624939653770 30.974 > 105 122 P 0.64777560477331 0.67270324146413 0.59624939653770 30.974 > 105 123 P 0.85222439522669 0.42270324146413 0.90375060346230 30.974 > 107 124 P 0.85222439522669 0.92270324146413 0.90375060346230 30.974 > 107 125 P 0.35222439522669 0.32729675853587 0.40375060346230 30.974 > 109 126 P 0.35222439522669 0.82729675853587 0.40375060346230 30.974 > 109 127 P 0.14777560477332 0.07729675853587 0.09624939653770 30.974 > 111 128 P 0.14777560477332 0.57729675853587 0.09624939653770 30.974 > 111 129 P 0.63772383486116 0.47209973169601 0.66255402423745 30.974 > 113 130 P 0.63772383486116 0.97209973169601 0.66255402423745 30.974 > 113 131 P 0.86227616513884 0.22209973169601 0.83744597576255 30.974 > 115 132 P 0.86227616513884 0.72209973169601 0.83744597576255 30.974 > 115 133 P 0.36227616513884 0.02790026830399 0.33744597576255 30.974 > 117 134 P 0.36227616513884 0.52790026830399 0.33744597576255 30.974 > 117 135 P 0.13772383486116 0.27790026830399 0.16255402423745 30.974 > 119 136 P 0.13772383486116 0.77790026830399 0.16255402423745 30.974 > 119 137 Nd 0.00000000000000 0.10107043540505 0.25000000000000 144.242 > 137 138 Nd 0.00000000000000 0.60107043540505 0.25000000000000 144.242 > 137 139 Nd 0.00000000000000 0.39892956459495 0.75000000000000 144.242 > 139 140 Nd 0.00000000000000 0.89892956459495 0.75000000000000 144.242 > 139 141 Nd 0.50000000000000 0.35107043540505 0.25000000000000 144.242 > 137 142 Nd 0.50000000000000 0.85107043540505 0.25000000000000 144.242 > 137 143 Nd 0.50000000000000 0.14892956459495 0.75000000000000 144.242 > 139 144 Nd 0.50000000000000 0.64892956459495 0.75000000000000 144.242 > 139----------------------------------------------------------------------------NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz".--------------------------- Dielectric constant ---------------------------- 2.7567123 0.0000000 0.0261799 0.0000000 2.7574240 0.0000000 0.0261795 0.0000000 2.7510423-------------------------- Born effective charges -------------------------- 1 Li 1.0216527 0.0000000 -0.0839104 0.0000000 1.0893822 0.0000000 -0.0543725 0.0000000 1.1940550 2 Li 1.0216527 0.0000000 -0.0839104 0.0000000 1.0893822 0.0000000 -0.0543725 0.0000000 1.1940550 3 O -1.0767140 -0.2433656 0.0780424 -0.3665358 -3.0154059 0.4017887 0.0841324 0.2263294 -1.0314797 4 O -1.0767140 0.2433656 0.0780424 0.3665358 -3.0154059 -0.4017887 0.0841324 -0.2263294 -1.0314797 5 O -1.0767140 -0.2433656 0.0780424 -0.3665358 -3.0154059 0.4017887 0.0841324 0.2263294 -1.0314797 6 O -1.0767140 0.2433656 0.0780424 0.3665358 -3.0154059 -0.4017887 0.0841324 -0.2263294 -1.0314797 7 O -2.2853499 0.4406850 -1.1113062 0.6132192 -1.0908958 0.4664676 -1.1113233 0.2534497 -1.9470488 8 O -2.2853499 -0.4406850 -1.1113062 -0.6132192 -1.0908958 -0.4664676 -1.1113233 -0.2534497 -1.9470488 9 O -2.2853499 0.4406850 -1.1113062 0.6132192 -1.0908958 0.4664676 -1.1113233 0.2534497 -1.9470488 10 O -2.2853499 -0.4406850 -1.1113062 -0.6132192 -1.0908958 -0.4664676 -1.1113233 -0.2534497 -1.9470488 11 O -2.1513901 -0.4460728 0.2002597 -0.3143522 -1.4365951 0.0557336 0.2208773 0.1431892 -1.0960119 12 O -2.1513901 0.4460728 0.2002597 0.3143522 -1.4365951 -0.0557336 0.2208773 -0.1431892 -1.0960119 13 O -2.1513901 -0.4460728 0.2002597 -0.3143522 -1.4365951 0.0557336 0.2208773 0.1431892 -1.0960119 14 O -2.1513901 0.4460728 0.2002597 0.3143522 -1.4365951 -0.0557336 0.2208773 -0.1431892 -1.0960119 15 O -1.0310798 -0.0869747 -0.1376687 -0.1688554 -1.6545931 0.6448149 0.0290017 0.7107354 -2.0787507 16 O -1.0310798 0.0869747 -0.1376687 0.1688554 -1.6545931 -0.6448149 0.0290017 -0.7107354 -2.0787507 17 O -1.0310798 -0.0869747 -0.1376687 -0.1688554 -1.6545931 0.6448149 0.0290017 0.7107354 -2.0787507 18 O -1.0310798 0.0869747 -0.1376687 0.1688554 -1.6545931 -0.6448149 0.0290017 -0.7107354 -2.0787507 19 O -2.3062102 0.1109426 0.5665667 0.1366143 -1.1013355 -0.0050818 0.3907283 0.0208851 -1.2427105 20 O -2.3062102 -0.1109426 0.5665667 -0.1366143 -1.1013355 0.0050818 0.3907283 -0.0208851 -1.2427105 21 O -2.3062102 0.1109426 0.5665667 0.1366143 -1.1013355 -0.0050818 0.3907283 0.0208851 -1.2427105 22 O -2.3062102 -0.1109426 0.5665667 -0.1366143 -1.1013355 0.0050818 0.3907283 -0.0208851 -1.2427105 23 O -0.9862452 -0.0352508 -0.0900419 -0.0435567 -1.6860271 -0.6323364 -0.1832281 -0.4983276 -2.2007514 24 O -0.9862452 0.0352508 -0.0900419 0.0435567 -1.6860271 0.6323364 -0.1832281 0.4983276 -2.2007514 25 O -0.9862452 -0.0352508 -0.0900419 -0.0435567 -1.6860271 -0.6323364 -0.1832281 -0.4983276 -2.2007514 26 O -0.9862452 0.0352508 -0.0900419 0.0435567 -1.6860271 0.6323364 -0.1832281 0.4983276 -2.2007514 27 P 3.6263814 0.2506701 -0.1182234 0.2251204 3.7897991 -0.3207942 0.7249200 0.0165140 3.4375672 28 P 3.6263814 -0.2506701 -0.1182234 -0.2251204 3.7897991 0.3207942 0.7249200 -0.0165140 3.4375672 29 P 3.6263814 0.2506701 -0.1182234 0.2251204 3.7897991 -0.3207942 0.7249200 0.0165140 3.4375672 30 P 3.6263814 -0.2506701 -0.1182234 -0.2251204 3.7897991 0.3207942 0.7249200 -0.0165140 3.4375672 31 P 3.5782204 -0.2098488 0.8354351 0.0316510 3.6860675 -0.4392041 0.1350736 0.3784907 3.4194505 32 P 3.5782204 0.2098488 0.8354351 -0.0316510 3.6860675 0.4392041 0.1350736 -0.3784907 3.4194505 33 P 3.5782204 -0.2098488 0.8354351 0.0316510 3.6860675 -0.4392041 0.1350736 0.3784907 3.4194505 34 P 3.5782204 0.2098488 0.8354351 -0.0316510 3.6860675 0.4392041 0.1350736 -0.3784907 3.4194505 35 Nd 4.2431222 0.0000000 -0.3622172 0.0000000 3.9285896 0.0000000 -0.5259915 0.0000000 4.2854156 36 Nd 4.2431222 0.0000000 -0.3622172 0.0000000 3.9285896 0.0000000 -0.5259915 0.0000000 4.2854156----------------------------------------------------------------------------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[ 25, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081]Computing fc3[ 33, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081]Computing fc3[ 41, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 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[ 105, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081]Computing fc3[ 113, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 0.0000 0.0081] [ 0.0059 0.0000 -0.0081]Computing fc3[ 137, x, x ] using numpy.linalg.pinv.Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0059 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 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5".--------------------------- Calculation settings ---------------------------Non-analytical term correction (NAC): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperatures: 0.0 300.0 Cutoff frequency: 0.01Frequency 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 04:48:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|---------------------------------- calculate LTC ----------------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0-------------------------[time 2026-01-08 04:48:49]-------------------------Compiled with OpenMP support (max 128 threads).Running in phono3py.load mode.Python version 3.14.2Spglib version 2.6.1----------------------------- General settings -----------------------------Run mode: conductivity-RTAHDF5 data compression filter: gzipCrystal 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 8.233491990267785 -3.528056985000000 0.000000000000000 b 8.233491990267785 3.528056985000000 0.000000000000000 c -5.803004584782996 0.000000000000000 7.878833037694238Atomic positions (fractional): 1 Li 0.29648299281707 0.70351700718293 0.25000000000000 6.941 2 Li 0.70351700718293 0.29648299281707 0.75000000000000 6.941 3 O 0.53862833418012 0.77864873485246 0.58457458879211 15.999 4 O 0.22135126514754 0.46137166581988 0.91542541120789 15.999 5 O 0.46137166581988 0.22135126514754 0.41542541120789 15.999 6 O 0.77864873485246 0.53862833418012 0.08457458879211 15.999 7 O 0.82726057546890 0.66058195893289 0.84451093500442 15.999 8 O 0.33941804106711 0.17273942453110 0.65548906499558 15.999 9 O 0.17273942453110 0.33941804106711 0.15548906499558 15.999 10 O 0.66058195893289 0.82726057546890 0.34451093500442 15.999 11 O 0.56046619156083 0.56912983423847 0.20212893861293 15.999 12 O 0.43087016576153 0.43953380843917 0.29787106138707 15.999 13 O 0.43953380843917 0.43087016576153 0.79787106138707 15.999 14 O 0.56912983423847 0.56046619156083 0.70212893861293 15.999 15 O 0.39313210662584 0.83443150255474 0.04844074617295 15.999 16 O 0.16556849744526 0.60686789337416 0.45155925382705 15.999 17 O 0.60686789337416 0.16556849744526 0.95155925382705 15.999 18 O 0.83443150255474 0.39313210662584 0.54844074617295 15.999 19 O 0.01637292833196 0.24239091339512 0.22532937697735 15.999 20 O 0.75760908660488 0.98362707166804 0.27467062302265 15.999 21 O 0.98362707166804 0.75760908660488 0.77467062302265 15.999 22 O 0.24239091339512 0.01637292833196 0.72532937697735 15.999 23 O 0.97999894862473 0.16607335847361 0.91548270511349 15.999 24 O 0.83392664152639 0.02000105137527 0.58451729488651 15.999 25 O 0.02000105137527 0.83392664152639 0.08451729488651 15.999 26 O 0.16607335847361 0.97999894862473 0.41548270511349 15.999 27 P 0.30236912184506 0.99318208770157 0.59624939653770 30.974 28 P 0.00681791229843 0.69763087815494 0.90375060346230 30.974 29 P 0.69763087815494 0.00681791229843 0.40375060346230 30.974 30 P 0.99318208770157 0.30236912184506 0.09624939653770 30.974 31 P 0.69352437146914 0.58192329825318 0.66255402423745 30.974 32 P 0.41807670174682 0.30647562853086 0.83744597576255 30.974 33 P 0.30647562853086 0.41807670174682 0.33744597576255 30.974 34 P 0.58192329825318 0.69352437146914 0.16255402423745 30.974 35 Nd 0.79785912918990 0.20214087081010 0.25000000000000 144.242 36 Nd 0.20214087081010 0.79785912918990 0.75000000000000 144.242-------------------------------- supercell ---------------------------------Lattice vectors: a 16.466983980535570 0.000000000000000 0.000000000000000 b 0.000000000000000 14.112227939999999 0.000000000000000 c -5.803004584782996 0.000000000000000 7.878833037694238Atomic positions (fractional): 1 Li 0.00000000000000 0.35175850359147 0.25000000000000 6.941 > 1 2 Li 0.00000000000000 0.85175850359147 0.25000000000000 6.941 > 1 3 Li 0.00000000000000 0.14824149640853 0.75000000000000 6.941 > 3 4 Li 0.00000000000000 0.64824149640853 0.75000000000000 6.941 > 3 5 Li 0.50000000000000 0.10175850359147 0.25000000000000 6.941 > 1 6 Li 0.50000000000000 0.60175850359147 0.25000000000000 6.941 > 1 7 Li 0.50000000000000 0.39824149640853 0.75000000000000 6.941 > 3 8 Li 0.50000000000000 0.89824149640853 0.75000000000000 6.941 > 3 9 O 0.15863853451629 0.31000510016808 0.58457458879211 15.999 > 9 10 O 0.15863853451629 0.81000510016808 0.58457458879211 15.999 > 9 11 O 0.34136146548371 0.06000510016808 0.91542541120789 15.999 > 11 12 O 0.34136146548371 0.56000510016808 0.91542541120789 15.999 > 11 13 O 0.84136146548371 0.18999489983192 0.41542541120789 15.999 > 13 14 O 0.84136146548371 0.68999489983192 0.41542541120789 15.999 > 13 15 O 0.65863853451629 0.43999489983192 0.08457458879211 15.999 > 15 16 O 0.65863853451629 0.93999489983192 0.08457458879211 15.999 > 15 17 O 0.24392126720089 0.20833034586600 0.84451093500442 15.999 > 17 18 O 0.24392126720089 0.70833034586600 0.84451093500442 15.999 > 17 19 O 0.25607873279910 0.45833034586600 0.65548906499558 15.999 > 19 20 O 0.25607873279910 0.95833034586600 0.65548906499558 15.999 > 19 21 O 0.75607873279910 0.29166965413400 0.15548906499558 15.999 > 21 22 O 0.75607873279910 0.79166965413400 0.15548906499558 15.999 > 21 23 O 0.74392126720090 0.04166965413400 0.34451093500442 15.999 > 23 24 O 0.74392126720090 0.54166965413400 0.34451093500442 15.999 > 23 25 O 0.06479801289965 0.25216591066941 0.20212893861293 15.999 > 25 26 O 0.06479801289965 0.75216591066941 0.20212893861293 15.999 > 25 27 O 0.93520198710035 0.25216591066941 0.29787106138707 15.999 > 27 28 O 0.93520198710035 0.75216591066941 0.29787106138707 15.999 > 27 29 O 0.93520198710035 0.24783408933059 0.79787106138707 15.999 > 29 30 O 0.93520198710035 0.74783408933059 0.79787106138707 15.999 > 29 31 O 0.06479801289965 0.24783408933059 0.70212893861293 15.999 > 31 32 O 0.06479801289965 0.74783408933059 0.70212893861293 15.999 > 31 33 O 0.61378180459029 0.11032484898223 0.04844074617295 15.999 > 33 34 O 0.61378180459029 0.61032484898223 0.04844074617295 15.999 > 33 35 O 0.88621819540971 0.36032484898223 0.45155925382705 15.999 > 35 36 O 0.88621819540971 0.86032484898223 0.45155925382705 15.999 > 35 37 O 0.38621819540971 0.38967515101777 0.95155925382705 15.999 > 37 38 O 0.38621819540971 0.88967515101777 0.95155925382705 15.999 > 37 39 O 0.11378180459029 0.13967515101777 0.54844074617295 15.999 > 39 40 O 0.11378180459029 0.63967515101777 0.54844074617295 15.999 > 39 41 O 0.62938192086354 0.30650449626579 0.22532937697735 15.999 > 41 42 O 0.62938192086354 0.80650449626579 0.22532937697735 15.999 > 41 43 O 0.87061807913646 0.05650449626579 0.27467062302265 15.999 > 43 44 O 0.87061807913646 0.55650449626579 0.27467062302265 15.999 > 43 45 O 0.37061807913646 0.19349550373421 0.77467062302265 15.999 > 45 46 O 0.37061807913646 0.69349550373421 0.77467062302265 15.999 > 45 47 O 0.12938192086354 0.44349550373421 0.72532937697735 15.999 > 47 48 O 0.12938192086354 0.94349550373421 0.72532937697735 15.999 > 47 49 O 0.07303615354917 0.04651860246222 0.91548270511349 15.999 > 49 50 O 0.07303615354917 0.54651860246222 0.91548270511349 15.999 > 49 51 O 0.92696384645083 0.04651860246222 0.58451729488651 15.999 > 51 52 O 0.92696384645083 0.54651860246222 0.58451729488651 15.999 > 51 53 O 0.92696384645083 0.45348139753778 0.08451729488651 15.999 > 53 54 O 0.92696384645083 0.95348139753778 0.08451729488651 15.999 > 53 55 O 0.07303615354917 0.45348139753778 0.41548270511349 15.999 > 55 56 O 0.07303615354917 0.95348139753778 0.41548270511349 15.999 > 55 57 O 0.65863853451629 0.06000510016808 0.58457458879211 15.999 > 9 58 O 0.65863853451629 0.56000510016808 0.58457458879211 15.999 > 9 59 O 0.84136146548371 0.31000510016808 0.91542541120789 15.999 > 11 60 O 0.84136146548371 0.81000510016808 0.91542541120789 15.999 > 11 61 O 0.34136146548371 0.43999489983192 0.41542541120789 15.999 > 13 62 O 0.34136146548371 0.93999489983192 0.41542541120789 15.999 > 13 63 O 0.15863853451629 0.18999489983192 0.08457458879211 15.999 > 15 64 O 0.15863853451629 0.68999489983192 0.08457458879211 15.999 > 15 65 O 0.74392126720090 0.45833034586600 0.84451093500442 15.999 > 17 66 O 0.74392126720090 0.95833034586600 0.84451093500442 15.999 > 17 67 O 0.75607873279910 0.20833034586600 0.65548906499558 15.999 > 19 68 O 0.75607873279910 0.70833034586600 0.65548906499558 15.999 > 19 69 O 0.25607873279910 0.04166965413400 0.15548906499558 15.999 > 21 70 O 0.25607873279910 0.54166965413400 0.15548906499558 15.999 > 21 71 O 0.24392126720089 0.29166965413400 0.34451093500442 15.999 > 23 72 O 0.24392126720089 0.79166965413400 0.34451093500442 15.999 > 23 73 O 0.56479801289965 0.00216591066941 0.20212893861293 15.999 > 25 74 O 0.56479801289965 0.50216591066941 0.20212893861293 15.999 > 25 75 O 0.43520198710035 0.00216591066941 0.29787106138707 15.999 > 27 76 O 0.43520198710035 0.50216591066941 0.29787106138707 15.999 > 27 77 O 0.43520198710035 0.49783408933059 0.79787106138707 15.999 > 29 78 O 0.43520198710035 0.99783408933059 0.79787106138707 15.999 > 29 79 O 0.56479801289965 0.49783408933059 0.70212893861293 15.999 > 31 80 O 0.56479801289965 0.99783408933059 0.70212893861293 15.999 > 31 81 O 0.11378180459029 0.36032484898223 0.04844074617295 15.999 > 33 82 O 0.11378180459029 0.86032484898223 0.04844074617295 15.999 > 33 83 O 0.38621819540971 0.11032484898223 0.45155925382705 15.999 > 35 84 O 0.38621819540971 0.61032484898223 0.45155925382705 15.999 > 35 85 O 0.88621819540971 0.13967515101777 0.95155925382705 15.999 > 37 86 O 0.88621819540971 0.63967515101777 0.95155925382705 15.999 > 37 87 O 0.61378180459029 0.38967515101777 0.54844074617295 15.999 > 39 88 O 0.61378180459029 0.88967515101777 0.54844074617295 15.999 > 39 89 O 0.12938192086354 0.05650449626579 0.22532937697735 15.999 > 41 90 O 0.12938192086354 0.55650449626579 0.22532937697735 15.999 > 41 91 O 0.37061807913646 0.30650449626579 0.27467062302265 15.999 > 43 92 O 0.37061807913646 0.80650449626579 0.27467062302265 15.999 > 43 93 O 0.87061807913646 0.44349550373421 0.77467062302265 15.999 > 45 94 O 0.87061807913646 0.94349550373421 0.77467062302265 15.999 > 45 95 O 0.62938192086354 0.19349550373421 0.72532937697735 15.999 > 47 96 O 0.62938192086354 0.69349550373421 0.72532937697735 15.999 > 47 97 O 0.57303615354917 0.29651860246222 0.91548270511349 15.999 > 49 98 O 0.57303615354917 0.79651860246222 0.91548270511349 15.999 > 49 99 O 0.42696384645083 0.29651860246222 0.58451729488651 15.999 > 51 100 O 0.42696384645083 0.79651860246222 0.58451729488651 15.999 > 51 101 O 0.42696384645083 0.20348139753778 0.08451729488651 15.999 > 53 102 O 0.42696384645083 0.70348139753778 0.08451729488651 15.999 > 53 103 O 0.57303615354917 0.20348139753778 0.41548270511349 15.999 > 55 104 O 0.57303615354917 0.70348139753778 0.41548270511349 15.999 > 55 105 P 0.14777560477332 0.42270324146413 0.59624939653770 30.974 > 105 106 P 0.14777560477332 0.92270324146413 0.59624939653770 30.974 > 105 107 P 0.35222439522669 0.17270324146413 0.90375060346230 30.974 > 107 108 P 0.35222439522669 0.67270324146413 0.90375060346230 30.974 > 107 109 P 0.85222439522669 0.07729675853587 0.40375060346230 30.974 > 109 110 P 0.85222439522669 0.57729675853587 0.40375060346230 30.974 > 109 111 P 0.64777560477331 0.32729675853587 0.09624939653770 30.974 > 111 112 P 0.64777560477331 0.82729675853587 0.09624939653770 30.974 > 111 113 P 0.13772383486116 0.22209973169601 0.66255402423745 30.974 > 113 114 P 0.13772383486116 0.72209973169601 0.66255402423745 30.974 > 113 115 P 0.36227616513884 0.47209973169601 0.83744597576255 30.974 > 115 116 P 0.36227616513884 0.97209973169601 0.83744597576255 30.974 > 115 117 P 0.86227616513884 0.27790026830399 0.33744597576255 30.974 > 117 118 P 0.86227616513884 0.77790026830399 0.33744597576255 30.974 > 117 119 P 0.63772383486116 0.02790026830399 0.16255402423745 30.974 > 119 120 P 0.63772383486116 0.52790026830399 0.16255402423745 30.974 > 119 121 P 0.64777560477331 0.17270324146413 0.59624939653770 30.974 > 105 122 P 0.64777560477331 0.67270324146413 0.59624939653770 30.974 > 105 123 P 0.85222439522669 0.42270324146413 0.90375060346230 30.974 > 107 124 P 0.85222439522669 0.92270324146413 0.90375060346230 30.974 > 107 125 P 0.35222439522669 0.32729675853587 0.40375060346230 30.974 > 109 126 P 0.35222439522669 0.82729675853587 0.40375060346230 30.974 > 109 127 P 0.14777560477332 0.07729675853587 0.09624939653770 30.974 > 111 128 P 0.14777560477332 0.57729675853587 0.09624939653770 30.974 > 111 129 P 0.63772383486116 0.47209973169601 0.66255402423745 30.974 > 113 130 P 0.63772383486116 0.97209973169601 0.66255402423745 30.974 > 113 131 P 0.86227616513884 0.22209973169601 0.83744597576255 30.974 > 115 132 P 0.86227616513884 0.72209973169601 0.83744597576255 30.974 > 115 133 P 0.36227616513884 0.02790026830399 0.33744597576255 30.974 > 117 134 P 0.36227616513884 0.52790026830399 0.33744597576255 30.974 > 117 135 P 0.13772383486116 0.27790026830399 0.16255402423745 30.974 > 119 136 P 0.13772383486116 0.77790026830399 0.16255402423745 30.974 > 119 137 Nd 0.00000000000000 0.10107043540505 0.25000000000000 144.242 > 137 138 Nd 0.00000000000000 0.60107043540505 0.25000000000000 144.242 > 137 139 Nd 0.00000000000000 0.39892956459495 0.75000000000000 144.242 > 139 140 Nd 0.00000000000000 0.89892956459495 0.75000000000000 144.242 > 139 141 Nd 0.50000000000000 0.35107043540505 0.25000000000000 144.242 > 137 142 Nd 0.50000000000000 0.85107043540505 0.25000000000000 144.242 > 137 143 Nd 0.50000000000000 0.14892956459495 0.75000000000000 144.242 > 139 144 Nd 0.50000000000000 0.64892956459495 0.75000000000000 144.242 > 139----------------------------------------------------------------------------NAC parameters were read from "phono3py.yaml".--------------------------- Dielectric constant ---------------------------- 2.7567123 0.0000000 0.0261799 0.0000000 2.7574240 0.0000000 0.0261795 0.0000000 2.7510423-------------------------- Born effective charges -------------------------- 1 Li 1.0216527 0.0000000 -0.0839104 0.0000000 1.0893822 0.0000000 -0.0543725 0.0000000 1.1940550 2 Li 1.0216527 0.0000000 -0.0839104 0.0000000 1.0893822 0.0000000 -0.0543725 0.0000000 1.1940550 3 O -1.0767140 -0.2433656 0.0780424 -0.3665358 -3.0154059 0.4017887 0.0841324 0.2263294 -1.0314797 4 O -1.0767140 0.2433656 0.0780424 0.3665358 -3.0154059 -0.4017887 0.0841324 -0.2263294 -1.0314797 5 O -1.0767140 -0.2433656 0.0780424 -0.3665358 -3.0154059 0.4017887 0.0841324 0.2263294 -1.0314797 6 O -1.0767140 0.2433656 0.0780424 0.3665358 -3.0154059 -0.4017887 0.0841324 -0.2263294 -1.0314797 7 O -2.2853499 0.4406850 -1.1113062 0.6132192 -1.0908958 0.4664676 -1.1113233 0.2534497 -1.9470488 8 O -2.2853499 -0.4406850 -1.1113062 -0.6132192 -1.0908958 -0.4664676 -1.1113233 -0.2534497 -1.9470488 9 O -2.2853499 0.4406850 -1.1113062 0.6132192 -1.0908958 0.4664676 -1.1113233 0.2534497 -1.9470488 10 O -2.2853499 -0.4406850 -1.1113062 -0.6132192 -1.0908958 -0.4664676 -1.1113233 -0.2534497 -1.9470488 11 O -2.1513901 -0.4460728 0.2002597 -0.3143522 -1.4365951 0.0557336 0.2208773 0.1431892 -1.0960119 12 O -2.1513901 0.4460728 0.2002597 0.3143522 -1.4365951 -0.0557336 0.2208773 -0.1431892 -1.0960119 13 O -2.1513901 -0.4460728 0.2002597 -0.3143522 -1.4365951 0.0557336 0.2208773 0.1431892 -1.0960119 14 O -2.1513901 0.4460728 0.2002597 0.3143522 -1.4365951 -0.0557336 0.2208773 -0.1431892 -1.0960119 15 O -1.0310798 -0.0869747 -0.1376687 -0.1688554 -1.6545931 0.6448149 0.0290017 0.7107354 -2.0787507 16 O -1.0310798 0.0869747 -0.1376687 0.1688554 -1.6545931 -0.6448149 0.0290017 -0.7107354 -2.0787507 17 O -1.0310798 -0.0869747 -0.1376687 -0.1688554 -1.6545931 0.6448149 0.0290017 0.7107354 -2.0787507 18 O -1.0310798 0.0869747 -0.1376687 0.1688554 -1.6545931 -0.6448149 0.0290017 -0.7107354 -2.0787507 19 O -2.3062102 0.1109426 0.5665667 0.1366143 -1.1013355 -0.0050818 0.3907283 0.0208851 -1.2427105 20 O -2.3062102 -0.1109426 0.5665667 -0.1366143 -1.1013355 0.0050818 0.3907283 -0.0208851 -1.2427105 21 O -2.3062102 0.1109426 0.5665667 0.1366143 -1.1013355 -0.0050818 0.3907283 0.0208851 -1.2427105 22 O -2.3062102 -0.1109426 0.5665667 -0.1366143 -1.1013355 0.0050818 0.3907283 -0.0208851 -1.2427105 23 O -0.9862452 -0.0352508 -0.0900419 -0.0435567 -1.6860271 -0.6323364 -0.1832281 -0.4983276 -2.2007514 24 O -0.9862452 0.0352508 -0.0900419 0.0435567 -1.6860271 0.6323364 -0.1832281 0.4983276 -2.2007514 25 O -0.9862452 -0.0352508 -0.0900419 -0.0435567 -1.6860271 -0.6323364 -0.1832281 -0.4983276 -2.2007514 26 O -0.9862452 0.0352508 -0.0900419 0.0435567 -1.6860271 0.6323364 -0.1832281 0.4983276 -2.2007514 27 P 3.6263814 0.2506701 -0.1182234 0.2251204 3.7897991 -0.3207942 0.7249200 0.0165140 3.4375672 28 P 3.6263814 -0.2506701 -0.1182234 -0.2251204 3.7897991 0.3207942 0.7249200 -0.0165140 3.4375672 29 P 3.6263814 0.2506701 -0.1182234 0.2251204 3.7897991 -0.3207942 0.7249200 0.0165140 3.4375672 30 P 3.6263814 -0.2506701 -0.1182234 -0.2251204 3.7897991 0.3207942 0.7249200 -0.0165140 3.4375672 31 P 3.5782204 -0.2098488 0.8354351 0.0316510 3.6860675 -0.4392041 0.1350736 0.3784907 3.4194505 32 P 3.5782204 0.2098488 0.8354351 -0.0316510 3.6860675 0.4392041 0.1350736 -0.3784907 3.4194505 33 P 3.5782204 -0.2098488 0.8354351 0.0316510 3.6860675 -0.4392041 0.1350736 0.3784907 3.4194505 34 P 3.5782204 0.2098488 0.8354351 -0.0316510 3.6860675 0.4392041 0.1350736 -0.3784907 3.4194505 35 Nd 4.2431222 0.0000000 -0.3622172 0.0000000 3.9285896 0.0000000 -0.5259915 0.0000000 4.2854156 36 Nd 4.2431222 0.0000000 -0.3622172 0.0000000 3.9285896 0.0000000 -0.5259915 0.0000000 4.2854156----------------------------------------------------------------------------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): TrueNAC unit conversion factor: 14.39965BZ integration: Tetrahedron-methodTemperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0Cutoff frequency: 0.01Frequency conversion factor to THz: 15.63330Length for sampling mesh generation: 50.00Generating 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: 0.54, Number of G-points: 301, Lambda: 0.09Running 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): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.494 ( 0.000 0.000 0.000) 0.000 2.758 ( 0.000 0.000 0.000) 0.000 3.164 ( 0.000 0.000 0.000) 0.000 3.239 ( 0.000 0.000 0.000) 0.000 3.529 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.812 ( 0.000 0.000 0.000) 0.000 3.894 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.508 ( 0.000 0.000 0.000) 0.000 4.730 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 5.163 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.387 ( 0.000 0.000 0.000) 0.000 5.545 ( 0.000 0.000 0.000) 0.000 5.728 ( 0.000 0.000 0.000) 0.000 5.845 ( 0.000 0.000 0.000) 0.000 5.957 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.318 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 8.028 ( 0.000 0.000 0.000) 0.000 8.064 ( 0.000 0.000 0.000) 0.000 8.103 ( 0.000 0.000 0.000) 0.000 8.838 ( 0.000 0.000 0.000) 0.000 8.915 ( 0.000 0.000 0.000) 0.000 9.049 ( 0.000 0.000 0.000) 0.000 9.188 ( 0.000 0.000 0.000) 0.000 9.238 ( 0.000 0.000 0.000) 0.000 9.616 ( 0.000 0.000 0.000) 0.000 9.620 ( 0.000 0.000 0.000) 0.000 9.651 ( 0.000 0.000 0.000) 0.000 9.914 ( 0.000 0.000 0.000) 0.000 10.310 ( 0.000 0.000 0.000) 0.000 10.321 ( 0.000 0.000 0.000) 0.000 11.001 ( 0.000 0.000 0.000) 0.000 11.201 ( 0.000 0.000 0.000) 0.000 11.272 ( 0.000 0.000 0.000) 0.000 11.328 ( 0.000 0.000 0.000) 0.000 11.433 ( 0.000 0.000 0.000) 0.000 11.539 ( 0.000 0.000 0.000) 0.000 11.600 ( 0.000 0.000 0.000) 0.000 12.056 ( 0.000 0.000 0.000) 0.000 12.364 ( 0.000 0.000 0.000) 0.000 12.467 ( 0.000 0.000 0.000) 0.000 12.468 ( 0.000 0.000 0.000) 0.000 13.061 ( 0.000 0.000 0.000) 0.000 13.173 ( 0.000 0.000 0.000) 0.000 13.208 ( 0.000 0.000 0.000) 0.000 13.553 ( 0.000 0.000 0.000) 0.000 13.643 ( 0.000 0.000 0.000) 0.000 13.694 ( 0.000 0.000 0.000) 0.000 14.230 ( 0.000 0.000 0.000) 0.000 14.665 ( 0.000 0.000 0.000) 0.000 14.714 ( 0.000 0.000 0.000) 0.000 14.920 ( 0.000 0.000 0.000) 0.000 15.033 ( 0.000 0.000 0.000) 0.000 15.292 ( 0.000 0.000 0.000) 0.000 15.475 ( 0.000 0.000 0.000) 0.000 16.126 ( 0.000 0.000 0.000) 0.000 16.461 ( 0.000 0.000 0.000) 0.000 16.599 ( 0.000 0.000 0.000) 0.000 17.006 ( 0.000 0.000 0.000) 0.000 17.060 ( 0.000 0.000 0.000) 0.000 17.139 ( 0.000 0.000 0.000) 0.000 17.168 ( 0.000 0.000 0.000) 0.000 19.618 ( 0.000 0.000 0.000) 0.000 19.985 ( 0.000 0.000 0.000) 0.000 20.938 ( 0.000 0.000 0.000) 0.000 21.079 ( 0.000 0.000 0.000) 0.000 21.701 ( 0.000 0.000 0.000) 0.000 22.157 ( 0.000 0.000 0.000) 0.000 23.169 ( 0.000 0.000 0.000) 0.000 23.455 ( 0.000 0.000 0.000) 0.000 26.899 ( 0.000 0.000 0.000) 0.000 26.911 ( 0.000 0.000 0.000) 0.000 29.326 ( 0.000 0.000 0.000) 0.000 29.470 ( 0.000 0.000 0.000) 0.000 30.094 ( 0.000 0.000 0.000) 0.000 30.454 ( 0.000 0.000 0.000) 0.000 30.798 ( 0.000 0.000 0.000) 0.000 30.811 ( 0.000 0.000 0.000) 0.000 31.375 ( 0.000 0.000 0.000) 0.000 31.480 ( 0.000 0.000 0.000) 0.000 31.801 ( 0.000 0.000 0.000) 0.000 31.938 ( 0.000 0.000 0.000) 0.000 32.304 ( 0.000 0.000 0.000) 0.000 32.524 ( 0.000 0.000 0.000) 0.000 33.465 ( 0.000 0.000 0.000) 0.000 33.924 ( 0.000 0.000 0.000) 0.000 35.298 ( 0.000 0.000 0.000) 0.000 35.400 ( 0.000 0.000 0.000) 0.000 35.515 ( 0.000 0.000 0.000) 0.000 35.966 ( 0.000 0.000 0.000) 0.000 36.016 ( 0.000 0.000 0.000) 0.000 36.070 ( 0.000 0.000 0.000) 0.000 36.322 ( 0.000 0.000 0.000) 0.000 38.174 ( 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): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.590 ( 17.567 -23.200 8.775) 30.395 0.715 ( 22.886 -25.836 13.593) 37.095 1.122 ( 11.638 -49.717 18.302) 54.241 2.068 ( 12.087 -5.780 3.234) 13.783 2.463 ( -2.466 -9.436 0.713) 9.779 2.509 ( 0.102 -2.625 5.576) 6.164 2.694 ( 0.809 4.543 -0.098) 4.616 3.012 ( 0.314 13.092 -2.462) 13.325 3.276 ( 3.359 -0.984 3.905) 5.244 3.544 ( 1.225 -0.111 -0.173) 1.242 3.647 ( 0.372 7.235 -1.594) 7.417 3.769 ( -7.479 0.800 -2.330) 7.875 3.810 ( -2.166 -1.604 -4.663) 5.386 3.948 ( 2.730 -1.577 -0.524) 3.196 4.272 ( -2.223 7.387 -1.528) 7.864 4.390 ( -1.459 -2.850 -2.861) 4.294 4.474 ( -2.503 3.277 -2.949) 5.070 4.812 ( -1.636 -2.828 -6.813) 7.555 4.908 ( -5.118 -4.369 -9.690) 11.797 4.964 ( -7.416 -5.987 9.543) 13.488 5.110 ( -0.147 -6.290 2.073) 6.625 5.225 ( 2.649 2.294 -12.569) 13.048 5.303 ( -7.281 1.864 -1.882) 7.748 5.369 ( -2.589 3.694 9.594) 10.602 5.538 ( 2.597 4.099 1.301) 5.024 5.724 ( 4.556 4.084 4.547) 7.623 5.895 ( -2.620 -0.229 5.257) 5.878 5.989 ( 2.641 -0.541 2.024) 3.370 6.218 ( -0.862 3.547 -0.949) 3.771 6.375 ( -1.987 -3.634 -1.327) 4.349 7.670 ( 7.684 -0.232 2.418) 8.059 7.924 ( -5.308 2.491 -5.446) 8.002 8.061 ( 3.146 2.451 -0.364) 4.005 8.210 ( 4.487 -4.214 -1.112) 6.255 8.868 ( 2.313 3.156 7.120) 8.124 8.974 ( 0.872 -2.536 3.242) 4.207 9.045 ( 2.443 1.663 0.594) 3.014 9.198 ( 1.502 0.250 -0.121) 1.528 9.235 ( 1.010 1.703 2.740) 3.380 9.558 ( -7.579 -1.086 0.227) 7.660 9.693 ( -3.356 -1.654 0.207) 3.748 9.739 ( 8.575 -0.986 7.055) 11.148 9.943 ( 9.804 7.375 -2.486) 12.518 10.233 ( -0.635 5.877 -5.511) 8.081 10.327 ( 2.327 2.337 1.966) 3.840 10.837 ( -5.334 10.145 -2.725) 11.781 11.236 ( -7.500 -0.212 -1.568) 7.666 11.247 ( 5.194 4.461 -0.985) 6.917 11.347 ( 0.054 -2.314 -0.429) 2.354 11.509 ( 3.229 -1.052 6.239) 7.103 11.589 ( 4.084 -1.531 1.092) 4.496 11.634 ( 1.691 0.661 8.745) 8.932 12.045 ( -0.653 -0.650 0.104) 0.927 12.377 ( 2.990 1.658 0.852) 3.523 12.457 ( 1.104 1.705 0.184) 2.039 12.633 ( 1.578 -2.537 -0.999) 3.150 13.008 ( -0.061 5.030 -1.055) 5.139 13.156 ( -0.504 4.485 -0.830) 4.589 13.258 ( 0.288 -4.392 0.879) 4.488 13.570 ( -0.395 3.675 0.617) 3.747 13.693 ( -5.011 -5.458 -4.010) 8.425 13.750 ( -0.907 -4.742 -0.759) 4.887 14.254 ( 13.759 12.523 14.296) 23.463 14.631 ( -0.049 3.102 0.293) 3.116 14.797 ( 0.436 -8.878 -0.035) 8.889 15.165 ( -1.674 -11.295 -1.788) 11.558 15.370 ( 0.976 -8.030 3.160) 8.684 15.507 ( -2.082 -8.223 -3.833) 9.308 15.907 ( -2.345 7.026 -8.267) 11.100 16.083 ( -0.011 8.317 6.534) 10.576 16.554 ( -1.622 4.280 -0.484) 4.602 16.991 ( -3.007 -1.274 -1.781) 3.719 17.094 ( -1.354 -2.403 -3.645) 4.571 17.164 ( -0.520 -2.434 0.315) 2.509 17.172 ( -3.142 -3.585 1.990) 5.166 17.472 ( -22.775 -14.156 -18.745) 32.717 19.682 ( 2.020 -3.448 -0.834) 4.082 20.031 ( -0.899 -5.955 -2.238) 6.425 20.801 ( 0.972 12.083 -0.136) 12.123 21.057 ( 0.106 5.257 -0.257) 5.264 21.798 ( -1.950 -8.437 6.909) 11.078 22.262 ( 0.719 -10.167 0.649) 10.214 23.111 ( -2.665 4.415 -2.080) 5.560 23.459 ( -2.246 3.831 -1.448) 4.671 26.984 ( 0.006 -9.483 0.054) 9.483 28.009 ( -63.822 -43.408 -42.931) 88.320 29.226 ( 6.944 17.349 -0.895) 18.709 29.354 ( 2.517 14.784 1.641) 15.087 30.540 ( 7.867 -6.153 -2.485) 10.292 30.683 ( 16.607 8.054 20.483) 27.572 30.835 ( -0.580 -3.335 -0.638) 3.444 30.934 ( 15.256 3.569 13.021) 20.372 31.522 ( -0.692 -4.110 1.128) 4.318 31.683 ( -3.393 8.337 -0.064) 9.001 31.831 ( 0.317 8.813 0.420) 8.829 32.231 ( -6.730 -9.624 3.406) 12.228 32.618 ( 1.275 -7.196 4.102) 8.380 32.840 ( 61.798 29.930 19.992) 71.515 33.435 ( -0.912 2.564 -0.927) 2.875 33.887 ( -0.715 3.992 0.556) 4.094 35.303 ( 0.483 -0.402 -0.089) 0.635 35.410 ( -0.313 -1.249 0.069) 1.290 35.525 ( 0.654 -1.053 -0.539) 1.351 35.962 ( 2.389 0.026 -4.404) 5.010 36.064 ( -3.637 0.628 5.079) 6.278 36.290 ( -2.324 1.866 -1.988) 3.583 36.924 ( -21.377 -18.315 -10.113) 29.911 38.177 ( 1.741 6.262 2.388) 6.924======================= Grid point 2 (3/114) =======================q-point: ( 0.25 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.182 ( 16.486 -23.492 7.755) 29.729 1.402 ( 22.012 -24.062 11.185) 34.476 2.022 ( 2.105 -29.480 7.689) 30.539 2.263 ( 9.497 -5.924 0.874) 11.227 2.535 ( -3.028 -4.132 -4.772) 7.001 2.653 ( 7.936 -11.142 8.866) 16.302 2.784 ( 2.641 4.697 -1.348) 5.554 2.912 ( 6.069 -14.285 10.462) 18.718 3.341 ( 2.464 0.456 3.670) 4.444 3.472 ( -0.694 7.136 1.064) 7.248 3.546 ( 3.355 7.622 0.332) 8.334 3.665 ( -7.475 1.154 0.886) 7.615 3.795 ( 0.324 1.095 -3.806) 3.974 3.946 ( -2.119 2.784 -0.261) 3.509 4.140 ( -1.138 3.602 2.040) 4.293 4.339 ( -3.189 3.909 -10.823) 11.941 4.350 ( -8.612 1.530 -4.444) 9.811 4.774 ( -9.554 3.454 -5.452) 11.530 4.813 ( -3.625 0.650 -1.874) 4.132 4.864 ( -4.268 7.270 -7.117) 11.033 5.178 ( -2.927 1.425 -2.682) 4.218 5.215 ( -2.443 -1.010 0.966) 2.814 5.370 ( -3.261 -13.756 -1.521) 14.219 5.419 ( 2.837 -4.097 8.748) 10.068 5.495 ( 2.827 4.550 3.737) 6.531 5.702 ( 7.980 4.940 0.830) 9.422 5.890 ( -0.432 2.572 3.878) 4.673 6.025 ( 0.738 -1.126 2.226) 2.602 6.135 ( -0.689 4.561 -1.299) 4.792 6.365 ( -6.521 -0.434 -4.724) 8.064 7.767 ( 10.426 -0.221 3.288) 10.934 7.850 ( -2.014 0.205 -2.385) 3.128 8.036 ( -0.771 0.842 -0.390) 1.206 8.292 ( 1.839 -3.417 -1.725) 4.247 8.857 ( -1.342 1.240 -0.382) 1.866 9.020 ( 1.158 0.982 -0.142) 1.525 9.037 ( 1.159 1.667 4.000) 4.485 9.193 ( 4.698 1.630 -0.255) 4.980 9.236 ( 1.168 1.034 4.551) 4.811 9.515 ( -5.139 2.172 2.284) 6.028 9.694 ( 1.059 2.703 0.262) 2.915 9.828 ( 2.900 -2.526 0.140) 3.849 9.936 ( 0.031 -2.916 -1.028) 3.092 10.061 ( -0.411 7.408 -1.867) 7.651 10.313 ( 2.636 2.555 0.575) 3.716 10.620 ( -2.776 8.217 -0.912) 8.721 11.145 ( -0.194 4.097 -0.361) 4.118 11.241 ( 2.022 -0.807 -2.134) 3.049 11.350 ( -2.135 -0.481 -2.647) 3.435 11.588 ( 3.214 -0.622 2.181) 3.934 11.653 ( 4.344 2.062 7.153) 8.619 11.702 ( -1.425 -6.067 4.066) 7.441 12.120 ( 0.377 -7.540 1.351) 7.670 12.367 ( 1.143 1.439 -0.492) 1.902 12.433 ( 2.955 2.786 0.769) 4.134 12.628 ( -3.801 2.051 -2.218) 4.855 12.892 ( 1.383 7.803 -0.734) 7.959 13.015 ( -6.168 6.956 -1.922) 9.493 13.350 ( 1.142 -4.910 -1.604) 5.290 13.573 ( 2.255 -2.349 4.219) 5.329 13.706 ( -4.484 -2.389 -3.245) 6.029 13.833 ( -3.091 -6.788 -1.311) 7.573 14.241 ( 13.443 9.542 11.836) 20.294 14.610 ( 0.400 -0.911 -0.833) 1.298 14.977 ( 1.701 -9.029 1.980) 9.399 15.301 ( -6.203 -9.463 -4.740) 12.268 15.508 ( -5.226 -2.430 -3.072) 6.531 15.662 ( 0.585 -9.145 -1.220) 9.245 15.778 ( 2.264 1.537 -1.275) 3.019 15.961 ( 3.878 4.692 4.777) 7.738 16.432 ( -2.179 7.007 0.344) 7.346 17.001 ( -3.095 -3.404 -1.354) 4.796 17.028 ( -9.995 0.169 -7.098) 12.260 17.219 ( -3.384 -2.913 1.465) 4.699 17.262 ( 3.659 -3.280 4.213) 6.473 17.430 ( -3.919 -1.852 -9.557) 10.494 19.784 ( 3.696 -5.925 -0.820) 7.031 20.146 ( -1.380 -9.458 -3.480) 10.172 20.578 ( 0.917 13.551 0.426) 13.589 20.898 ( 0.059 11.458 0.150) 11.459 22.028 ( -1.183 -13.895 4.879) 14.774 22.490 ( 0.868 -13.522 0.772) 13.572 22.964 ( -3.450 7.617 -2.732) 8.797 23.334 ( -0.876 7.866 -0.639) 7.941 27.227 ( 0.793 -17.224 0.324) 17.245 28.072 ( -29.179 -23.001 -19.125) 41.788 28.922 ( 2.819 20.721 0.864) 20.930 29.050 ( 5.043 21.631 1.059) 22.236 30.702 ( 6.041 -5.682 -1.612) 8.449 30.786 ( -4.198 -7.680 1.654) 8.907 30.915 ( -1.470 -7.075 -0.979) 7.292 31.094 ( 8.597 -3.803 7.008) 11.725 31.493 ( -2.185 7.252 -2.916) 8.116 31.607 ( -1.951 1.789 3.534) 4.415 31.670 ( 4.349 6.762 2.274) 8.355 32.362 ( 1.063 -3.968 5.860) 7.157 32.792 ( 8.742 -3.362 6.765) 11.554 32.927 ( 18.469 1.035 2.243) 18.633 33.357 ( -1.183 4.292 -1.568) 4.721 33.779 ( -1.636 7.615 0.956) 7.847 35.317 ( 0.770 -0.637 -0.127) 1.008 35.437 ( -0.736 -1.832 0.539) 2.047 35.552 ( 0.993 -1.527 -0.680) 1.945 35.955 ( 3.553 -0.237 -6.252) 7.195 36.053 ( -4.686 0.650 6.832) 8.311 36.209 ( -3.554 2.791 -2.919) 5.380 37.069 ( -11.143 -17.100 -7.075) 21.602 38.051 ( 5.045 13.195 5.343) 15.104======================= Grid point 3 (4/114) =======================q-point: ( 0.38 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.734 ( 12.106 -21.165 5.195) 24.930 1.988 ( 20.445 -15.572 9.171) 27.287 2.217 ( -3.224 -5.595 -4.329) 7.774 2.450 ( 1.341 -4.865 -0.046) 5.046 2.601 ( -0.923 -7.246 -5.056) 8.884 2.750 ( 4.380 0.409 1.106) 4.536 3.131 ( 3.987 -18.109 15.502) 24.169 3.168 ( -2.285 4.350 1.672) 5.191 3.288 ( -6.449 6.474 -7.088) 11.565 3.364 ( 10.701 -3.349 2.052) 11.399 3.532 ( 9.778 2.864 8.334) 13.163 3.637 ( -2.902 2.456 1.804) 4.208 3.721 ( -1.511 0.356 -0.537) 1.643 3.902 ( -4.046 -1.083 4.893) 6.441 4.063 ( -9.414 5.091 -0.665) 10.723 4.187 ( -7.507 0.571 -12.803) 14.853 4.268 ( 5.778 -1.008 -1.305) 6.009 4.573 ( -8.764 5.425 -4.587) 11.282 4.693 ( -0.238 4.443 1.234) 4.617 4.851 ( -1.893 -4.212 1.598) 4.886 5.107 ( -3.063 1.269 -2.231) 3.996 5.195 ( -2.380 3.151 1.321) 4.165 5.424 ( 0.536 5.194 0.130) 5.223 5.462 ( -4.398 -1.519 -5.617) 7.294 5.542 ( 1.065 0.160 4.440) 4.568 5.740 ( 10.638 -2.971 -0.617) 11.062 5.892 ( 1.934 -0.541 5.846) 6.182 6.036 ( -1.448 4.596 -0.346) 4.831 6.069 ( 0.905 -1.968 -0.460) 2.215 6.247 ( -9.504 2.502 -6.655) 11.869 7.824 ( 2.234 -0.636 -0.761) 2.444 7.885 ( 9.357 0.530 4.103) 10.231 8.020 ( -2.518 -0.564 -0.617) 2.653 8.309 ( -4.520 -0.350 -3.351) 5.637 8.840 ( 0.516 -2.221 -2.406) 3.315 8.981 ( 1.660 3.939 -0.132) 4.276 9.022 ( 0.399 1.936 1.371) 2.406 9.186 ( 0.299 0.855 -0.812) 1.217 9.291 ( 1.277 -1.942 5.351) 5.834 9.440 ( 0.901 5.428 2.518) 6.051 9.631 ( -0.732 1.213 -2.842) 3.176 9.800 ( -1.287 8.851 -4.121) 9.848 9.956 ( 0.191 -7.998 3.638) 8.788 10.104 ( 0.348 -3.876 3.203) 5.041 10.254 ( -0.661 4.581 -2.514) 5.268 10.524 ( 1.262 2.830 2.274) 3.843 11.093 ( 0.467 1.907 -0.403) 2.004 11.274 ( 3.163 -1.278 -2.013) 3.961 11.331 ( -0.888 -0.550 -0.659) 1.235 11.613 ( 1.080 -0.752 -1.245) 1.811 11.663 ( 0.487 2.724 5.863) 6.483 11.853 ( 2.227 -6.381 4.981) 8.396 12.292 ( -1.418 -8.922 1.638) 9.182 12.344 ( 1.800 0.376 -2.558) 3.150 12.409 ( 0.008 1.478 -1.193) 1.900 12.528 ( -2.984 2.157 -0.847) 3.778 12.744 ( 1.694 9.326 -0.861) 9.518 12.821 ( -5.711 8.216 -1.222) 10.080 13.419 ( 0.571 -3.270 -2.158) 3.959 13.667 ( -1.629 -1.964 -2.368) 3.481 13.720 ( 1.144 -3.056 5.888) 6.732 13.932 ( -3.631 -8.375 -0.117) 9.129 14.221 ( 10.989 9.524 6.630) 15.982 14.636 ( 0.083 -1.864 -3.248) 3.746 15.133 ( 0.037 -5.864 0.825) 5.922 15.329 ( -6.020 -3.303 -3.366) 7.647 15.475 ( -1.261 -2.174 -2.167) 3.318 15.581 ( -2.202 11.239 2.092) 11.643 15.895 ( -1.336 -11.314 -2.789) 11.729 16.114 ( 9.365 -2.545 3.187) 10.215 16.338 ( 1.950 0.134 4.248) 4.676 16.865 ( -11.768 4.190 -7.165) 14.401 17.043 ( -1.607 -3.754 -1.039) 4.213 17.229 ( -2.542 0.149 1.515) 2.963 17.348 ( 2.283 -0.852 4.094) 4.764 17.391 ( 0.643 -0.659 -6.622) 6.686 19.934 ( 2.967 -8.804 -1.465) 9.405 20.295 ( -2.807 -9.601 -1.218) 10.077 20.350 ( 1.618 11.883 -1.257) 12.058 20.687 ( 0.139 12.415 1.354) 12.489 22.295 ( -0.504 -13.845 3.434) 14.274 22.730 ( 0.145 -8.018 -2.540) 8.412 22.782 ( -2.113 4.416 0.609) 4.933 23.169 ( 0.052 10.074 -0.209) 10.076 27.595 ( 1.971 -22.185 0.820) 22.288 28.160 ( -15.631 -14.667 -9.535) 23.460 28.535 ( -1.144 23.143 -1.340) 23.210 28.749 ( 6.635 17.152 2.803) 18.603 30.806 ( 0.665 -4.759 -1.142) 4.939 30.885 ( -2.350 -4.696 -0.899) 5.328 31.046 ( -1.771 -9.113 -0.278) 9.288 31.238 ( 3.810 -3.341 2.151) 5.505 31.353 ( -0.722 5.209 -1.446) 5.454 31.454 ( 1.431 10.058 0.928) 10.201 31.722 ( 0.556 -2.114 3.484) 4.113 32.448 ( 3.250 -0.622 4.589) 5.658 32.915 ( 8.318 -0.288 3.301) 8.954 33.107 ( 2.966 -9.942 -0.424) 10.384 33.265 ( -0.118 3.403 -1.835) 3.868 33.611 ( -2.414 9.947 1.123) 10.297 35.333 ( 0.604 -0.478 -0.084) 0.775 35.464 ( -0.533 -1.323 0.431) 1.490 35.581 ( 0.830 -1.139 -0.426) 1.472 35.960 ( 3.298 -0.803 -4.558) 5.683 36.046 ( -3.787 0.552 5.419) 6.635 36.119 ( -2.828 2.344 -2.615) 4.509 37.266 ( -7.640 -16.727 -6.060) 19.362 37.859 ( 5.733 15.899 5.844) 17.883======================= Grid point 4 (5/114) =======================q-point: (-0.50 0.00 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.047 ( 0.000 -0.000 0.000) 0.000 2.223 ( 0.000 -0.000 0.000) 0.000 2.275 ( -0.000 -0.000 -0.000) 0.000 2.495 ( -0.000 -0.000 0.000) 0.000 2.614 ( 0.000 -0.000 0.000) 0.000 2.850 ( 0.000 -0.000 0.000) 0.000 2.972 ( 0.000 -0.000 -0.000) 0.000 3.201 ( 0.000 -0.000 -0.000) 0.000 3.387 ( -0.000 -0.000 0.000) 0.000 3.400 ( 0.000 0.000 -0.000) 0.000 3.553 ( 0.000 -0.000 0.000) 0.000 3.661 ( 0.000 -0.000 0.000) 0.000 3.700 ( -0.000 0.000 0.000) 0.000 3.933 ( -0.000 -0.000 0.000) 0.000 3.939 ( 0.000 -0.000 -0.000) 0.000 4.120 ( 0.000 -0.000 0.000) 0.000 4.339 ( -0.000 -0.000 0.000) 0.000 4.477 ( 0.000 -0.000 0.000) 0.000 4.672 ( -0.000 -0.000 0.000) 0.000 4.960 ( 0.000 -0.000 0.000) 0.000 5.058 ( -0.000 0.000 -0.000) 0.000 5.084 ( 0.000 -0.000 0.000) 0.000 5.345 ( 0.000 -0.000 -0.000) 0.000 5.439 ( 0.000 -0.000 0.000) 0.000 5.546 ( -0.000 -0.000 0.000) 0.000 5.860 ( 0.000 -0.000 0.000) 0.000 5.931 ( 0.000 -0.000 0.000) 0.000 5.976 ( 0.000 -0.000 0.000) 0.000 6.112 ( -0.000 0.000 0.000) 0.000 6.115 ( 0.000 -0.000 -0.000) 0.000 7.841 ( 0.000 -0.000 0.000) 0.000 7.947 ( 0.000 -0.000 0.000) 0.000 8.008 ( -0.000 -0.000 0.000) 0.000 8.257 ( 0.000 -0.000 0.000) 0.000 8.905 ( 0.000 -0.000 0.000) 0.000 8.912 ( -0.000 -0.000 0.000) 0.000 9.008 ( 0.000 -0.000 0.000) 0.000 9.175 ( 0.000 -0.000 0.000) 0.000 9.353 ( -0.000 -0.000 0.000) 0.000 9.377 ( 0.000 0.000 -0.000) 0.000 9.636 ( 0.000 -0.000 0.000) 0.000 9.671 ( 0.000 -0.000 0.000) 0.000 10.107 ( 0.000 -0.000 0.000) 0.000 10.122 ( 0.000 0.000 -0.000) 0.000 10.165 ( -0.000 -0.000 -0.000) 0.000 10.518 ( 0.000 -0.000 0.000) 0.000 11.077 ( 0.000 -0.000 0.000) 0.000 11.289 ( 0.000 -0.000 0.000) 0.000 11.343 ( -0.000 -0.000 0.000) 0.000 11.626 ( 0.000 -0.000 -0.000) 0.000 11.646 ( 0.000 0.000 0.000) 0.000 11.952 ( 0.000 -0.000 0.000) 0.000 12.322 ( -0.000 -0.000 -0.000) 0.000 12.355 ( 0.000 -0.000 0.000) 0.000 12.423 ( 0.000 -0.000 -0.000) 0.000 12.546 ( 0.000 -0.000 0.000) 0.000 12.648 ( 0.000 -0.000 0.000) 0.000 12.668 ( -0.000 -0.000 0.000) 0.000 13.446 ( -0.000 -0.000 0.000) 0.000 13.658 ( 0.000 -0.000 0.000) 0.000 13.778 ( 0.000 -0.000 0.000) 0.000 14.043 ( 0.000 -0.000 -0.000) 0.000 14.161 ( 0.000 -0.000 0.000) 0.000 14.633 ( 0.000 -0.000 0.000) 0.000 15.184 ( 0.000 -0.000 0.000) 0.000 15.391 ( 0.000 0.000 0.000) 0.000 15.401 ( 0.000 -0.000 -0.000) 0.000 15.495 ( 0.000 -0.000 0.000) 0.000 16.021 ( 0.000 -0.000 0.000) 0.000 16.099 ( 0.000 -0.000 -0.000) 0.000 16.483 ( 0.000 -0.000 0.000) 0.000 16.689 ( -0.000 0.000 -0.000) 0.000 17.075 ( 0.000 -0.000 0.000) 0.000 17.213 ( 0.000 -0.000 0.000) 0.000 17.368 ( 0.000 -0.000 0.000) 0.000 17.389 ( 0.000 -0.000 -0.000) 0.000 20.103 ( -0.000 0.000 0.000) 0.000 20.148 ( 0.000 -0.000 -0.000) 0.000 20.450 ( 0.000 -0.000 -0.000) 0.000 20.511 ( 0.000 0.000 0.000) 0.000 22.515 ( 0.000 -0.000 0.000) 0.000 22.576 ( 0.000 -0.000 0.000) 0.000 22.958 ( -0.000 -0.000 0.000) 0.000 22.990 ( 0.000 -0.000 0.000) 0.000 27.967 ( 0.000 0.000 0.000) 0.000 28.119 ( 0.000 -0.000 0.000) 0.000 28.255 ( -0.000 -0.000 0.000) 0.000 28.616 ( 0.000 -0.000 0.000) 0.000 30.862 ( 0.000 -0.000 0.000) 0.000 30.901 ( 0.000 0.000 0.000) 0.000 31.163 ( 0.000 -0.000 0.000) 0.000 31.245 ( 0.000 -0.000 0.000) 0.000 31.324 ( 0.000 -0.000 0.000) 0.000 31.353 ( 0.000 0.000 0.000) 0.000 31.754 ( 0.000 -0.000 0.000) 0.000 32.480 ( 0.000 -0.000 0.000) 0.000 32.963 ( -0.000 -0.000 -0.000) 0.000 33.186 ( 0.000 -0.000 -0.000) 0.000 33.298 ( 0.000 -0.000 -0.000) 0.000 33.461 ( 0.000 -0.000 -0.000) 0.000 35.339 ( 0.000 -0.000 0.000) 0.000 35.476 ( 0.000 -0.000 0.000) 0.000 35.594 ( 0.000 -0.000 0.000) 0.000 35.973 ( 0.000 -0.000 0.000) 0.000 36.036 ( 0.000 -0.000 -0.000) 0.000 36.077 ( -0.000 -0.000 0.000) 0.000 37.409 ( 0.000 -0.000 0.000) 0.000 37.715 ( 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): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.612 ( 23.547 -0.000 23.067) 32.963 0.629 ( 23.692 -0.000 22.636) 32.767 1.148 ( 44.872 -0.000 37.328) 58.368 2.203 ( 23.925 -0.000 8.762) 25.479 2.337 ( -7.363 0.000 5.660) 9.287 2.542 ( 1.123 -0.000 6.364) 6.463 2.745 ( -0.941 0.000 -0.107) 0.947 3.133 ( -2.108 0.000 -2.782) 3.491 3.345 ( 6.325 -0.000 6.852) 9.325 3.548 ( 2.491 -0.000 -1.892) 3.128 3.627 ( -0.550 0.000 -15.859) 15.869 3.685 ( -6.419 0.000 -2.390) 6.849 3.777 ( -2.505 0.000 -3.460) 4.272 3.922 ( 1.044 -0.000 -3.072) 3.244 4.292 ( 0.066 -0.000 -10.677) 10.677 4.375 ( -7.609 0.000 1.628) 7.781 4.427 ( -3.753 0.000 -5.228) 6.436 4.706 ( -2.766 0.000 -1.264) 3.042 4.806 ( -1.240 0.000 -0.198) 1.256 4.896 ( -1.329 0.000 7.895) 8.006 5.121 ( 1.644 -0.000 -2.859) 3.298 5.122 ( -2.948 0.000 -17.530) 17.776 5.208 ( -6.829 0.000 5.692) 8.890 5.429 ( -12.373 0.000 10.693) 16.354 5.601 ( 1.465 -0.000 0.566) 1.571 5.850 ( 1.203 -0.000 8.784) 8.866 5.902 ( -0.866 0.000 6.803) 6.858 6.011 ( 1.550 -0.000 2.410) 2.865 6.215 ( -2.946 0.000 -3.815) 4.820 6.354 ( 3.386 -0.000 1.131) 3.570 7.758 ( 11.302 -0.000 2.575) 11.592 7.890 ( -3.888 0.000 -9.239) 10.023 8.055 ( -1.795 0.000 -2.357) 2.962 8.240 ( 7.977 -0.000 -0.816) 8.019 8.913 ( -1.934 0.000 1.954) 2.749 9.048 ( -1.521 0.000 7.425) 7.579 9.092 ( 5.027 -0.000 0.677) 5.072 9.208 ( 2.491 -0.000 2.105) 3.261 9.294 ( 2.990 -0.000 4.828) 5.679 9.490 ( -9.623 0.000 -0.373) 9.631 9.633 ( -3.866 0.000 3.526) 5.233 9.806 ( 3.724 -0.000 5.180) 6.380 10.128 ( 1.034 -0.000 -16.944) 16.975 10.245 ( -0.596 0.000 -6.909) 6.935 10.388 ( 4.471 -0.000 0.955) 4.572 10.884 ( -5.418 0.000 -3.801) 6.618 11.114 ( -8.441 0.000 -1.147) 8.519 11.314 ( 1.526 -0.000 -2.460) 2.895 11.364 ( 1.601 -0.000 2.839) 3.259 11.560 ( -1.139 0.000 1.085) 1.573 11.582 ( 5.146 -0.000 0.416) 5.163 11.955 ( -0.861 0.000 27.640) 27.654 12.043 ( 3.707 -0.000 -6.235) 7.254 12.477 ( 1.525 -0.000 -0.523) 1.612 12.529 ( 3.403 -0.000 -8.443) 9.103 12.546 ( 5.298 -0.000 4.724) 7.098 13.025 ( -2.372 0.000 -3.331) 4.090 13.232 ( 4.063 -0.000 -1.893) 4.482 13.294 ( -5.200 0.000 -0.927) 5.282 13.512 ( -4.897 0.000 -0.548) 4.928 13.616 ( -2.693 0.000 -0.934) 2.850 13.686 ( -0.464 0.000 0.669) 0.814 14.665 ( -0.266 0.000 0.072) 0.275 14.668 ( 0.084 -0.000 0.071) 0.110 14.862 ( -2.878 0.000 -3.188) 4.294 15.058 ( -3.636 0.000 1.885) 4.096 15.119 ( 3.781 -0.000 4.250) 5.689 15.298 ( -1.174 0.000 2.544) 2.802 15.932 ( -10.126 0.000 -13.120) 16.573 16.181 ( 4.224 -0.000 -0.843) 4.307 16.524 ( 0.969 -0.000 4.717) 4.815 16.575 ( -4.209 0.000 2.049) 4.681 16.967 ( -1.622 0.000 -1.160) 1.995 17.115 ( -1.981 0.000 -1.350) 2.397 17.150 ( -2.446 0.000 0.302) 2.465 17.173 ( 4.756 -0.000 5.560) 7.317 19.669 ( 6.109 -0.000 0.391) 6.122 19.961 ( -0.421 0.000 -3.556) 3.581 20.950 ( 1.111 -0.000 0.469) 1.205 21.076 ( 0.235 -0.000 -0.832) 0.865 21.743 ( -6.404 0.000 7.974) 10.228 22.169 ( 0.889 -0.000 0.890) 1.258 23.172 ( -0.073 0.000 0.679) 0.683 23.451 ( -0.382 0.000 -0.053) 0.386 26.899 ( 0.015 -0.000 -0.029) 0.032 26.910 ( -0.092 0.000 -0.051) 0.105 29.432 ( 4.553 -0.000 0.351) 4.566 29.484 ( 0.739 -0.000 1.311) 1.505 30.388 ( -4.348 0.000 -5.347) 6.892 30.766 ( -2.683 0.000 -1.862) 3.266 30.786 ( -2.089 0.000 -1.528) 2.588 31.330 ( -3.326 0.000 -1.739) 3.753 31.404 ( -4.546 0.000 -5.547) 7.172 31.825 ( -5.920 0.000 9.463) 11.162 31.868 ( 5.034 -0.000 3.289) 6.013 32.130 ( 2.857 -0.000 3.064) 4.189 32.538 ( 0.496 -0.000 1.757) 1.825 33.438 ( -2.035 0.000 -1.852) 2.752 33.918 ( -1.036 0.000 0.423) 1.119 34.581 ( 28.514 -0.000 -39.199) 48.472 35.301 ( -0.107 0.000 0.512) 0.523 35.400 ( 5.680 -0.000 -8.631) 10.333 35.521 ( 1.355 -0.000 -0.715) 1.532 35.982 ( -3.249 0.000 -1.150) 3.447 35.982 ( -25.621 0.000 33.531) 42.199 36.072 ( -2.644 0.000 4.060) 4.845 36.280 ( -1.985 0.000 -4.249) 4.690 38.273 ( 7.195 -0.000 6.769) 9.878======================= Grid point 11 (7/114) =======================q-point: ( 0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.021 ( 18.656 -14.505 15.391) 28.202 1.184 ( 20.897 -21.048 11.814) 31.926 1.842 ( 32.908 -17.497 31.633) 48.885 2.290 ( -0.985 0.500 5.293) 5.407 2.513 ( 13.502 -1.625 -2.062) 13.755 2.618 ( 3.517 -5.065 11.277) 12.853 2.732 ( 2.534 -2.241 3.462) 4.840 2.997 ( 1.900 7.332 -0.821) 7.619 3.407 ( 3.881 1.385 4.692) 6.244 3.528 ( -2.446 3.430 -5.483) 6.914 3.567 ( -4.131 -3.261 -7.309) 9.007 3.665 ( 1.894 -2.075 -0.773) 2.914 3.745 ( -1.778 -1.048 -2.711) 3.407 3.952 ( 0.378 -2.150 -1.130) 2.459 4.201 ( -1.896 2.670 -9.470) 10.020 4.229 ( -13.832 4.064 -3.455) 14.825 4.361 ( -3.480 2.341 -4.478) 6.136 4.676 ( -9.261 -0.332 -2.576) 9.619 4.777 ( -3.871 0.934 -1.707) 4.332 4.884 ( -6.010 3.456 -6.566) 9.549 5.045 ( -6.474 -3.184 -10.874) 13.049 5.145 ( 0.995 -10.257 5.306) 11.591 5.256 ( 0.747 3.006 4.896) 5.794 5.443 ( 0.708 -3.300 8.617) 9.255 5.592 ( -0.364 2.769 4.013) 4.889 5.845 ( 1.623 4.465 4.158) 6.313 5.926 ( -2.133 0.062 1.972) 2.906 6.027 ( -2.472 -1.381 3.086) 4.189 6.179 ( 0.881 2.266 -1.676) 2.953 6.352 ( 1.542 3.604 -1.214) 4.103 7.800 ( -0.683 0.463 -1.837) 2.014 7.869 ( 6.025 -1.249 0.275) 6.159 8.051 ( 3.725 0.886 0.300) 3.841 8.281 ( 3.550 -0.211 -1.670) 3.929 8.873 ( -3.143 2.921 0.313) 4.303 9.049 ( -0.659 1.552 3.497) 3.882 9.116 ( 4.947 2.320 1.171) 5.588 9.270 ( 6.235 0.811 1.975) 6.590 9.310 ( 1.428 2.519 6.683) 7.284 9.443 ( -8.621 -3.676 0.546) 9.388 9.673 ( -2.605 -3.851 6.024) 7.610 9.852 ( -3.060 -1.606 -6.325) 7.207 9.972 ( 6.819 7.091 -1.042) 9.893 10.167 ( 0.641 4.969 -5.888) 7.731 10.392 ( 3.738 3.232 -0.401) 4.958 10.747 ( -1.208 8.297 -0.960) 8.439 11.073 ( -8.054 -2.781 -2.282) 8.821 11.302 ( -1.438 -0.798 -3.901) 4.233 11.348 ( 5.603 4.540 1.793) 7.431 11.609 ( -0.266 -4.422 4.792) 6.526 11.630 ( 4.461 0.325 0.620) 4.516 11.920 ( 11.514 13.665 8.440) 19.762 12.044 ( -1.343 -2.544 7.445) 7.982 12.427 ( 1.174 3.710 -0.012) 3.891 12.501 ( 3.017 1.354 0.530) 3.348 12.626 ( -0.974 0.616 -0.254) 1.180 12.960 ( -3.043 2.203 -4.237) 5.662 13.092 ( -3.422 9.275 -2.765) 10.265 13.287 ( 2.320 -2.919 0.311) 3.741 13.565 ( -6.103 -5.760 -1.715) 8.566 13.587 ( -0.972 -1.941 2.406) 3.241 13.724 ( -0.660 -2.264 -1.028) 2.572 14.602 ( 8.735 10.959 7.762) 16.020 14.623 ( -0.210 5.395 1.023) 5.496 14.799 ( -0.172 -11.694 -0.246) 11.698 15.091 ( -4.794 -7.363 -3.452) 9.440 15.341 ( -3.822 -8.084 -3.212) 9.501 15.450 ( -5.368 -12.543 -0.330) 13.647 15.783 ( 1.522 -0.445 -8.083) 8.237 16.138 ( 0.553 7.957 4.382) 9.100 16.505 ( -3.526 3.798 -0.379) 5.197 16.753 ( -14.080 -12.691 -8.085) 20.608 16.961 ( -0.027 -1.079 -1.077) 1.525 17.124 ( -3.230 -3.577 -1.268) 4.983 17.219 ( -2.441 -8.473 -0.764) 8.851 17.272 ( 4.449 -3.386 2.808) 6.256 19.750 ( 6.990 -2.404 -0.069) 7.392 19.979 ( -0.715 -5.216 -4.534) 6.948 20.820 ( 1.310 12.024 0.265) 12.098 21.055 ( 0.189 5.140 -0.463) 5.164 21.825 ( -3.600 -9.543 5.486) 11.581 22.284 ( 0.895 -10.197 0.905) 10.276 23.077 ( -0.196 8.366 0.232) 8.371 23.425 ( -0.800 3.348 -0.342) 3.459 26.987 ( 0.246 -10.060 0.182) 10.064 27.261 ( -13.305 -31.250 -9.581) 35.290 29.288 ( 1.689 17.376 0.376) 17.462 29.403 ( 3.835 11.704 2.286) 12.527 30.466 ( -4.345 -13.829 -5.097) 15.366 30.731 ( -3.502 -0.273 -1.648) 3.880 30.791 ( -2.968 -3.856 -2.077) 5.291 31.197 ( 3.413 4.772 0.772) 5.918 31.420 ( -6.413 -4.915 -5.547) 9.801 31.717 ( -0.358 8.400 5.822) 10.227 31.874 ( 3.621 7.846 1.627) 8.793 32.267 ( 1.454 -8.850 5.080) 10.307 32.652 ( 0.865 -9.568 2.271) 9.872 33.383 ( -2.709 2.972 -2.394) 4.680 33.797 ( 27.978 40.718 1.309) 49.421 33.899 ( 5.489 15.039 5.424) 16.903 35.311 ( 0.742 -0.561 -0.494) 1.054 35.402 ( -0.712 -1.312 -0.043) 1.493 35.533 ( 1.463 -0.929 -1.079) 2.041 35.941 ( 4.228 -0.185 -7.912) 8.973 36.067 ( -6.986 0.482 9.960) 12.175 36.187 ( -6.387 -0.094 -3.217) 7.152 36.505 ( -15.991 -29.378 -6.127) 34.004 38.319 ( 7.990 7.080 7.827) 13.238======================= Grid point 12 (8/114) =======================q-point: ( 0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.515 ( 14.047 -18.825 7.718) 24.724 1.709 ( 11.899 -19.320 -0.493) 22.696 2.278 ( 4.817 -0.407 6.396) 8.017 2.410 ( 9.458 -4.485 14.907) 18.215 2.530 ( 8.032 -0.015 -7.334) 10.877 2.836 ( 8.671 0.523 -3.051) 9.207 2.913 ( 4.755 -17.848 15.855) 24.342 3.117 ( 4.191 -8.590 10.041) 13.863 3.332 ( -6.489 8.202 -7.531) 12.888 3.413 ( 1.550 0.757 0.521) 1.801 3.593 ( -2.733 -3.194 2.564) 4.924 3.706 ( 3.430 2.102 4.882) 6.326 3.763 ( 3.971 -0.406 -3.503) 5.311 3.932 ( -2.481 4.083 4.805) 6.776 4.035 ( -14.330 1.674 1.171) 14.474 4.080 ( -3.344 1.498 -16.840) 17.235 4.296 ( 2.051 0.861 -0.230) 2.236 4.549 ( -12.474 2.788 -2.027) 12.942 4.704 ( -4.062 0.021 -7.027) 8.117 4.795 ( -0.087 0.431 1.890) 1.941 5.024 ( -5.823 -4.056 -5.922) 9.243 5.211 ( 0.857 0.807 -1.561) 1.955 5.339 ( -2.237 -4.429 0.212) 4.967 5.511 ( -0.042 3.829 3.034) 4.886 5.603 ( 2.366 -1.304 7.864) 8.315 5.791 ( 1.173 1.883 -0.928) 2.405 5.926 ( 1.524 -1.295 1.491) 2.495 6.065 ( -0.179 -1.227 3.841) 4.036 6.101 ( -1.755 5.353 -0.400) 5.648 6.231 ( -2.075 7.208 -4.678) 8.840 7.812 ( 0.995 -1.445 -0.011) 1.754 7.913 ( -0.353 -0.957 -0.378) 1.088 8.085 ( 10.259 2.396 2.795) 10.900 8.265 ( -3.034 0.803 -3.809) 4.935 8.810 ( -0.987 0.489 -1.094) 1.552 9.014 ( -1.600 1.548 -2.669) 3.475 9.101 ( 2.596 3.405 1.609) 4.574 9.232 ( 1.870 3.883 0.176) 4.314 9.331 ( -0.638 2.486 4.299) 5.007 9.476 ( -2.901 -2.483 3.312) 5.055 9.700 ( 2.588 5.252 -5.264) 7.874 9.834 ( -1.723 -6.760 6.418) 9.479 9.988 ( 5.283 6.376 2.850) 8.757 10.036 ( -2.241 1.119 -1.340) 2.841 10.331 ( 1.318 4.910 -2.142) 5.517 10.626 ( 2.523 5.628 2.084) 6.510 11.065 ( -3.647 -2.498 -2.004) 4.853 11.290 ( -1.406 -1.729 -3.465) 4.120 11.343 ( 8.618 3.179 1.047) 9.245 11.634 ( 1.985 1.868 0.337) 2.746 11.700 ( -3.340 -2.315 4.377) 5.973 11.893 ( 9.991 2.886 8.548) 13.462 12.152 ( 0.408 -5.987 4.222) 7.337 12.372 ( 0.631 2.730 -1.073) 3.000 12.462 ( -2.452 4.793 -1.251) 5.527 12.550 ( -1.260 3.174 -0.549) 3.459 12.863 ( -6.634 3.396 -3.009) 8.037 12.901 ( -0.376 8.015 -2.848) 8.514 13.356 ( 2.412 -2.868 -2.580) 4.549 13.598 ( -4.166 -3.554 -0.400) 5.491 13.701 ( 2.551 -5.350 7.605) 9.641 13.753 ( -4.070 -5.174 -3.147) 7.297 14.522 ( 5.473 7.698 2.439) 9.755 14.573 ( 1.029 2.343 -1.124) 2.795 14.999 ( -1.350 -9.634 1.555) 9.851 15.185 ( -3.561 -6.707 -2.903) 8.129 15.387 ( -4.568 -5.423 -1.874) 7.334 15.562 ( -8.262 -9.605 -4.103) 13.317 15.841 ( 6.694 3.295 0.182) 7.463 16.117 ( 8.478 -4.608 4.592) 10.687 16.391 ( -3.916 4.661 1.202) 6.206 16.722 ( -14.468 -3.175 -8.287) 16.973 16.991 ( 1.988 -1.915 -0.654) 2.837 17.161 ( -4.648 -4.051 -0.120) 6.167 17.320 ( -1.386 -4.853 -3.060) 5.902 17.360 ( 3.568 -1.653 1.725) 4.294 19.849 ( 5.647 -3.758 -0.814) 6.832 20.080 ( -1.034 -9.485 -4.483) 10.542 20.599 ( 0.869 13.776 0.713) 13.822 20.901 ( -0.036 10.925 0.336) 10.930 22.054 ( -1.921 -14.469 3.864) 15.099 22.507 ( 0.541 -13.030 0.323) 13.046 22.914 ( -0.640 9.208 -0.205) 9.232 23.324 ( -0.054 7.295 0.050) 7.295 27.251 ( 1.484 -18.278 0.626) 18.349 27.596 ( -13.540 -24.936 -9.778) 30.012 28.921 ( -1.473 22.347 -1.924) 22.478 29.188 ( 8.219 18.802 5.415) 21.222 30.671 ( -2.567 -12.591 -3.174) 13.236 30.729 ( -3.786 -4.316 -0.929) 5.816 30.859 ( -3.705 -8.270 -1.987) 9.277 31.222 ( 3.867 -2.385 -0.043) 4.544 31.396 ( -4.277 -0.198 -4.812) 6.441 31.609 ( -1.572 6.077 2.076) 6.612 31.747 ( 1.878 8.342 2.547) 8.922 32.457 ( 2.170 -6.917 5.672) 9.205 32.871 ( 1.503 -11.708 2.348) 12.036 33.258 ( 1.115 9.097 -1.101) 9.230 33.431 ( 20.288 21.911 3.679) 30.087 33.762 ( -2.682 8.490 2.167) 9.164 35.325 ( 0.631 -0.699 -0.696) 1.171 35.429 ( -1.100 -2.078 0.628) 2.434 35.559 ( 1.048 -1.471 -1.101) 2.115 35.942 ( 4.132 -0.879 -6.083) 7.405 36.060 ( -5.400 0.680 7.850) 9.552 36.113 ( -3.568 1.378 -2.976) 4.846 36.805 ( -11.172 -22.289 -7.386) 26.003 38.226 ( 7.370 14.484 7.350) 17.836======================= Grid point 13 (9/114) =======================q-point: ( 0.50 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.928 ( 6.476 -13.441 0.371) 14.925 2.039 ( 1.897 -13.379 -5.150) 14.461 2.373 ( -1.744 -5.388 -2.574) 6.220 2.488 ( 9.485 5.296 9.784) 14.620 2.622 ( 3.876 -0.749 1.067) 4.089 2.810 ( 4.415 3.391 -5.210) 7.624 3.118 ( -6.052 -0.782 1.301) 6.239 3.130 ( -4.376 6.964 3.073) 8.780 3.320 ( -0.209 -7.888 5.024) 9.354 3.432 ( 2.028 1.772 -9.289) 9.672 3.610 ( -0.673 1.308 0.025) 1.471 3.726 ( -0.515 1.328 6.541) 6.694 3.748 ( 3.709 2.760 4.309) 6.320 3.926 ( 1.962 -0.611 -5.803) 6.156 3.950 ( -3.162 2.622 8.807) 9.718 4.050 ( 2.700 -7.750 2.620) 8.615 4.326 ( -5.699 -0.750 2.019) 6.092 4.457 ( 2.290 -1.478 0.397) 2.754 4.656 ( -2.278 -0.231 -4.472) 5.024 4.892 ( 2.794 -7.501 3.708) 8.821 5.027 ( -3.776 -3.401 -1.089) 5.197 5.123 ( -3.413 8.370 -8.607) 12.482 5.311 ( -3.817 -1.513 -4.204) 5.876 5.431 ( -0.447 3.808 0.042) 3.835 5.634 ( 4.031 3.773 3.351) 6.459 5.826 ( 2.066 -3.986 -0.563) 4.524 5.964 ( -6.970 5.716 -1.575) 9.151 6.030 ( 1.414 6.447 -1.240) 6.715 6.066 ( 4.719 -6.986 2.856) 8.901 6.120 ( -1.541 0.043 3.115) 3.476 7.833 ( -0.369 -0.920 -1.775) 2.033 7.879 ( -6.084 1.776 -1.252) 6.460 8.097 ( 1.743 3.389 -2.127) 4.364 8.259 ( 6.700 -2.232 3.038) 7.688 8.837 ( 0.958 -3.031 -0.743) 3.264 8.949 ( -2.871 1.477 -4.279) 5.360 9.062 ( 2.300 4.134 2.180) 5.209 9.195 ( 2.312 1.982 -0.625) 3.109 9.294 ( -4.091 -0.218 1.800) 4.474 9.440 ( -2.246 3.943 -3.900) 5.984 9.668 ( 4.607 1.287 5.181) 7.052 9.815 ( 2.440 9.870 3.685) 10.814 10.031 ( 2.222 -6.595 3.886) 7.971 10.058 ( -7.365 -4.446 -1.422) 8.720 10.224 ( 1.918 6.667 -1.950) 7.207 10.584 ( 3.041 4.095 1.537) 5.327 11.066 ( -1.539 -0.492 -0.868) 1.834 11.298 ( 1.287 -0.923 -2.537) 2.991 11.368 ( 5.257 1.432 1.421) 5.630 11.612 ( 0.885 1.697 0.084) 1.915 11.693 ( -1.904 1.456 2.217) 3.265 11.994 ( 3.914 0.955 6.720) 7.835 12.287 ( -1.241 -6.441 0.660) 6.592 12.346 ( -0.359 0.446 -1.726) 1.819 12.350 ( -0.250 0.411 -0.415) 0.635 12.529 ( 1.702 -1.583 -1.209) 2.620 12.699 ( -5.473 5.645 -0.761) 7.899 12.776 ( 0.598 7.878 -0.469) 7.915 13.395 ( 1.042 -3.130 -4.071) 5.240 13.641 ( -2.271 -2.698 2.656) 4.415 13.787 ( -0.635 -2.885 -0.797) 3.060 13.850 ( -3.670 -6.196 1.036) 7.275 14.403 ( 6.513 14.012 1.525) 15.526 14.548 ( -4.296 -5.417 -4.955) 8.506 15.135 ( -0.809 -5.806 2.908) 6.543 15.246 ( -1.929 -5.716 -2.471) 6.519 15.445 ( -2.929 -0.807 0.488) 3.077 15.590 ( 0.237 0.638 0.855) 1.092 15.866 ( 3.593 -4.817 -1.372) 6.164 16.220 ( 1.999 4.399 1.061) 4.947 16.439 ( 0.492 -5.803 2.259) 6.247 16.609 ( -7.765 -3.738 -4.269) 9.618 17.045 ( 2.273 -2.639 -0.821) 3.578 17.189 ( -4.297 -2.506 1.428) 5.175 17.342 ( 1.282 -0.530 -4.209) 4.432 17.407 ( 0.598 -0.579 2.226) 2.377 19.967 ( 3.188 -6.747 -1.363) 7.586 20.240 ( -1.255 -11.544 -2.613) 11.903 20.361 ( 0.445 13.653 0.332) 13.665 20.704 ( 0.031 11.382 1.422) 11.470 22.325 ( -0.303 -14.541 2.798) 14.811 22.700 ( 1.353 1.172 -2.694) 3.235 22.778 ( -1.683 -3.856 1.834) 4.590 23.172 ( 0.233 10.063 0.148) 10.066 27.641 ( 2.352 -22.802 1.114) 22.950 27.860 ( -9.987 -20.980 -7.208) 24.329 28.477 ( -2.624 24.105 -2.485) 24.375 28.964 ( 10.865 18.093 7.767) 22.489 30.770 ( -2.347 -5.724 -1.468) 6.358 30.836 ( -2.208 -7.018 -1.519) 7.513 31.010 ( -2.616 -11.286 -0.110) 11.585 31.282 ( 1.235 -0.636 -1.369) 1.950 31.336 ( 0.509 1.641 -0.806) 1.898 31.477 ( -0.170 8.335 -0.053) 8.336 31.658 ( -5.952 0.823 -2.125) 6.374 32.583 ( 4.099 0.019 6.046) 7.305 33.035 ( 1.335 2.642 3.070) 4.265 33.167 ( 3.983 -4.345 -1.916) 6.198 33.288 ( 7.312 7.849 -0.372) 10.734 33.578 ( -3.750 10.222 1.474) 10.988 35.335 ( 0.087 -0.415 -0.574) 0.714 35.459 ( -0.572 -1.597 0.256) 1.715 35.582 ( 0.106 -1.058 -0.775) 1.316 35.963 ( 2.505 -1.040 -3.132) 4.143 36.045 ( -3.019 0.827 3.873) 4.980 36.074 ( -0.411 -0.073 -0.249) 0.486 37.074 ( -7.504 -20.595 -6.246) 22.792 38.019 ( 5.711 17.924 5.692) 19.654======================= Grid point 14 (10/114) =======================q-point: (-0.38 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.901 ( -15.186 9.212 -12.086) 21.484 2.039 ( -0.399 13.080 -0.803) 13.111 2.431 ( 1.123 6.371 7.589) 9.972 2.478 ( 0.572 2.570 -2.080) 3.355 2.647 ( 0.671 -14.340 1.558) 14.440 2.853 ( 1.876 8.905 0.411) 9.110 2.985 ( 4.058 -4.027 -2.829) 6.379 3.237 ( -3.841 -0.788 -1.169) 4.092 3.285 ( 0.015 -1.154 -3.024) 3.237 3.345 ( -4.684 1.201 -0.103) 4.837 3.546 ( -4.464 16.300 1.762) 16.992 3.609 ( 0.491 0.190 0.336) 0.625 3.786 ( 3.377 1.588 3.041) 4.814 3.922 ( 3.260 -0.004 -4.665) 5.691 4.054 ( 7.658 -4.041 4.265) 9.652 4.228 ( -9.384 -1.185 0.926) 9.504 4.289 ( 7.896 -2.503 9.510) 12.611 4.569 ( 4.459 -2.399 1.551) 5.296 4.601 ( -1.530 -2.420 -6.262) 6.885 4.875 ( -2.206 2.987 -6.130) 7.167 5.063 ( -1.217 -5.389 0.448) 5.543 5.147 ( 4.607 -5.665 0.757) 7.341 5.324 ( -2.749 -5.470 0.209) 6.125 5.395 ( -0.700 -0.938 -2.240) 2.527 5.618 ( 2.061 2.724 1.249) 3.637 5.784 ( -4.592 6.946 2.268) 8.630 5.893 ( 2.026 1.788 -5.824) 6.420 5.954 ( -3.288 -3.801 1.775) 5.330 6.112 ( -0.117 2.114 1.441) 2.561 6.277 ( 7.436 -6.229 5.917) 11.363 7.770 ( -8.458 0.865 -3.534) 9.208 7.839 ( 0.222 -0.134 1.094) 1.124 8.037 ( -2.212 0.660 -3.558) 4.241 8.389 ( 9.194 -0.061 4.736) 10.342 8.862 ( -2.863 0.144 -3.075) 4.204 8.918 ( -0.013 -2.288 1.391) 2.678 9.022 ( 2.209 2.713 1.024) 3.645 9.181 ( 1.096 0.481 -0.731) 1.402 9.293 ( -5.237 1.534 -2.222) 5.893 9.344 ( -0.524 -1.244 -1.365) 1.920 9.716 ( 4.524 4.362 1.939) 6.577 9.741 ( 2.296 -1.233 7.938) 8.355 10.039 ( -5.600 -1.207 -6.770) 8.868 10.105 ( 0.414 4.582 1.632) 4.881 10.187 ( 1.111 -4.983 1.610) 5.353 10.518 ( 0.656 4.226 -2.184) 4.802 11.055 ( -1.801 -0.348 -0.420) 1.882 11.304 ( 1.433 0.848 -0.147) 1.672 11.368 ( 1.898 2.093 1.178) 3.061 11.594 ( 0.040 0.688 -0.418) 0.806 11.668 ( 0.275 1.586 0.530) 1.694 11.931 ( -2.734 6.177 -1.039) 6.834 12.319 ( -0.008 -0.551 -0.398) 0.680 12.345 ( -2.071 -1.496 -0.024) 2.555 12.476 ( 6.946 -6.778 0.509) 9.718 12.555 ( 0.331 9.671 0.844) 9.713 12.628 ( -2.778 -1.716 2.335) 4.014 12.696 ( 1.910 -7.230 -0.312) 7.485 13.444 ( 1.643 -1.829 -1.256) 2.761 13.676 ( -2.154 -2.535 2.530) 4.179 13.785 ( 1.253 5.755 0.058) 5.890 13.887 ( -8.076 -7.506 -7.551) 13.363 14.191 ( 1.625 12.038 0.274) 12.150 14.619 ( -2.297 -4.579 -0.314) 5.132 15.200 ( 0.074 1.097 0.994) 1.482 15.352 ( -1.777 -6.311 1.391) 6.702 15.412 ( 2.869 -3.144 -2.630) 5.003 15.596 ( 4.953 3.877 4.927) 7.990 15.979 ( -0.759 -4.458 -2.395) 5.117 16.134 ( 0.995 7.152 2.032) 7.501 16.307 ( -10.454 4.328 -6.172) 12.889 16.837 ( 7.795 -11.262 5.173) 14.641 17.098 ( 2.420 -1.456 -1.241) 3.085 17.204 ( -2.387 -1.219 2.188) 3.461 17.318 ( -0.368 1.005 -4.176) 4.311 17.424 ( -0.175 0.014 2.609) 2.615 20.110 ( 0.079 3.442 1.038) 3.596 20.142 ( 0.123 -1.129 -1.068) 1.559 20.440 ( 0.217 -11.270 -1.481) 11.369 20.524 ( -0.080 9.049 1.699) 9.207 22.511 ( 0.230 10.621 -0.607) 10.640 22.598 ( 1.373 -11.552 1.069) 11.682 22.959 ( 0.583 1.226 -0.400) 1.415 22.984 ( -1.123 -0.565 0.440) 1.332 27.968 ( -0.239 14.227 0.806) 14.252 28.115 ( -1.531 -11.758 -3.167) 12.273 28.139 ( -3.650 -21.344 -2.470) 21.794 28.817 ( 11.345 12.986 9.068) 19.483 30.828 ( -3.350 -2.007 -0.639) 3.957 30.905 ( 0.730 -2.980 -0.693) 3.145 31.159 ( -0.143 -3.033 0.095) 3.038 31.238 ( -0.441 2.520 0.552) 2.618 31.337 ( -0.646 3.504 0.910) 3.677 31.355 ( 1.404 0.354 -1.656) 2.200 31.597 ( -9.346 -4.264 -7.220) 12.556 32.560 ( 4.150 8.951 3.932) 10.621 32.944 ( -1.546 6.057 -0.468) 6.269 33.214 ( 3.346 0.772 -0.831) 3.533 33.303 ( -0.478 6.030 1.470) 6.225 33.448 ( -0.973 -6.105 -0.630) 6.214 35.334 ( -0.367 0.105 -0.312) 0.493 35.475 ( 0.006 -0.247 -0.156) 0.292 35.587 ( -0.567 -0.004 -0.219) 0.608 35.967 ( -1.167 0.142 0.911) 1.487 36.042 ( 1.247 0.091 -1.193) 1.728 36.106 ( 1.631 -2.388 1.840) 3.427 37.341 ( -3.492 -16.244 -3.507) 16.981 37.775 ( 3.138 14.475 2.983) 15.109======================= Grid point 15 (11/114) =======================q-point: (-0.25 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.437 ( -13.662 21.540 -7.439) 26.570 1.642 ( -6.152 23.078 -5.339) 24.474 2.307 ( -2.592 8.370 2.875) 9.222 2.498 ( 5.685 4.239 6.335) 9.509 2.675 ( -1.378 4.273 2.182) 4.992 2.793 ( 7.923 9.671 6.930) 14.294 2.876 ( -4.695 27.584 -12.473) 30.635 3.121 ( -11.237 14.660 -7.329) 19.872 3.166 ( -0.401 -11.688 -2.734) 12.010 3.335 ( -4.426 -0.883 -3.035) 5.439 3.445 ( 2.192 -6.673 4.790) 8.501 3.658 ( 3.075 -5.415 -2.453) 6.693 3.751 ( 0.247 0.788 1.025) 1.316 3.949 ( 4.897 -0.528 -0.297) 4.934 4.071 ( -4.769 -1.610 -2.093) 5.451 4.296 ( 3.157 -4.951 4.468) 7.378 4.461 ( 9.218 -0.474 6.067) 11.046 4.684 ( 1.467 -10.812 -1.727) 11.047 4.706 ( -0.940 -9.531 3.135) 10.078 4.874 ( 1.655 -2.526 1.454) 3.352 5.156 ( 0.445 -3.792 1.677) 4.170 5.184 ( 2.359 -1.536 -6.104) 6.722 5.388 ( -2.540 -1.371 -1.728) 3.364 5.460 ( 4.145 -1.591 -3.758) 5.817 5.541 ( -9.511 -0.117 2.409) 9.812 5.663 ( 1.851 10.281 4.165) 11.246 5.845 ( 0.315 -0.457 -2.418) 2.481 6.048 ( 0.342 -5.222 0.042) 5.233 6.063 ( -0.762 2.799 0.546) 2.952 6.431 ( 5.040 -2.141 3.357) 6.423 7.685 ( -6.070 0.597 -2.666) 6.656 7.878 ( 3.009 -1.113 4.274) 5.344 8.001 ( -3.221 -1.181 -3.903) 5.196 8.396 ( 2.427 5.638 2.027) 6.464 8.842 ( -0.992 -0.564 -1.325) 1.748 8.962 ( -0.538 -2.023 -0.756) 2.226 9.035 ( 3.285 -1.146 2.270) 4.154 9.169 ( -5.178 3.496 -1.259) 6.373 9.194 ( 0.094 -1.131 -1.872) 2.189 9.420 ( -0.143 -6.335 -0.515) 6.357 9.699 ( 3.086 2.011 1.755) 4.080 9.882 ( 0.006 -6.011 6.796) 9.073 9.955 ( 2.502 3.045 -4.256) 5.800 10.020 ( -3.062 4.770 -1.162) 5.786 10.255 ( -1.209 -1.522 -1.566) 2.497 10.501 ( 0.318 -5.459 -0.786) 5.524 11.055 ( -2.252 -2.113 -0.568) 3.139 11.285 ( 0.518 1.909 0.927) 2.185 11.371 ( 1.812 -0.373 1.150) 2.178 11.573 ( -0.462 1.535 -0.861) 1.820 11.641 ( -0.221 1.637 -0.265) 1.673 11.789 ( -1.033 5.938 -2.978) 6.723 12.305 ( 2.051 10.946 -0.381) 11.143 12.348 ( -0.261 -1.198 0.756) 1.441 12.366 ( -3.802 0.483 -0.166) 3.837 12.630 ( 4.902 -3.306 1.609) 6.128 12.723 ( -1.817 -9.110 0.672) 9.314 12.900 ( 2.490 -10.609 0.610) 10.914 13.434 ( 0.415 3.492 0.821) 3.611 13.630 ( -1.166 7.731 -2.635) 8.251 13.761 ( 3.270 -3.028 4.980) 6.683 13.912 ( -5.149 -5.195 -7.551) 10.513 14.023 ( -2.627 6.793 -0.709) 7.318 14.630 ( -1.429 0.880 -0.062) 1.679 15.095 ( -1.463 7.626 -1.367) 7.884 15.499 ( 4.505 -7.171 6.880) 10.912 15.557 ( 3.302 3.180 2.379) 5.165 15.590 ( 4.859 -6.701 -2.258) 8.579 15.848 ( -9.079 9.105 -4.576) 13.648 15.981 ( -1.354 10.695 0.535) 10.794 16.293 ( -0.416 -8.207 -1.401) 8.336 17.065 ( 4.531 -3.761 5.817) 8.277 17.110 ( 4.733 1.861 -0.709) 5.135 17.231 ( -0.898 -2.226 -0.566) 2.466 17.256 ( -2.538 1.882 -3.636) 4.817 17.454 ( 0.331 -2.368 3.534) 4.267 19.914 ( -1.148 10.211 0.653) 10.296 20.333 ( 3.575 -8.829 -4.185) 10.405 20.349 ( -2.892 6.353 5.328) 8.781 20.673 ( -0.122 -13.233 -0.565) 13.245 22.269 ( 0.130 14.450 -1.742) 14.556 22.728 ( -0.468 13.996 -0.193) 14.005 22.836 ( 2.015 -11.125 1.405) 11.393 23.174 ( 0.152 -10.729 0.312) 10.735 27.568 ( -0.705 21.824 -0.263) 21.837 28.401 ( 3.761 -15.903 0.435) 16.348 28.549 ( 1.746 -22.427 0.576) 22.502 28.778 ( 4.480 3.507 6.701) 8.790 30.747 ( -5.213 6.710 -1.724) 8.670 30.930 ( 2.315 2.905 0.312) 3.728 31.067 ( 0.348 8.520 0.363) 8.535 31.127 ( -3.947 7.473 -3.842) 9.284 31.382 ( 0.776 -5.496 0.980) 5.636 31.432 ( -0.420 -9.331 -0.242) 9.343 31.595 ( -4.405 -3.995 -4.440) 7.421 32.421 ( 0.925 8.613 0.268) 8.667 32.786 ( -3.916 8.566 -1.402) 9.523 33.086 ( -0.595 12.804 0.091) 12.818 33.287 ( 0.351 -4.603 0.752) 4.677 33.626 ( 0.814 -10.208 -0.452) 10.250 35.324 ( -0.383 0.525 -0.079) 0.654 35.466 ( 0.218 1.143 -0.239) 1.188 35.573 ( -0.482 1.027 0.134) 1.142 35.963 ( -1.539 0.084 2.400) 2.852 36.043 ( 1.812 -0.226 -2.551) 3.137 36.184 ( 1.665 -3.468 1.451) 4.111 37.404 ( 3.255 10.676 2.426) 11.422 37.746 ( -2.272 -12.624 -2.343) 13.039======================= Grid point 16 (12/114) =======================q-point: (-0.12 0.12 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.929 ( 0.000 25.665 0.000) 25.665 1.124 ( 0.000 29.439 0.000) 29.439 2.006 ( 0.000 51.753 0.000) 51.753 2.159 ( 0.000 8.288 0.000) 8.288 2.519 ( 0.000 2.630 0.000) 2.630 2.657 ( 0.000 5.219 0.000) 5.219 2.743 ( 0.000 16.706 0.000) 16.706 2.787 ( -0.000 -11.040 -0.000) 11.040 3.286 ( 0.000 2.241 0.000) 2.241 3.437 ( -0.000 -14.708 -0.000) 14.708 3.532 ( -0.000 -1.657 -0.000) 1.657 3.766 ( -0.000 -1.970 -0.000) 1.970 3.809 ( -0.000 -6.139 -0.000) 6.139 3.960 ( 0.000 1.170 0.000) 1.170 4.135 ( -0.000 -7.693 -0.000) 7.693 4.407 ( -0.000 -5.146 -0.000) 5.146 4.471 ( 0.000 3.224 0.000) 3.224 4.878 ( -0.000 -7.387 -0.000) 7.387 4.903 ( 0.000 0.734 0.000) 0.734 4.953 ( -0.000 -13.348 -0.000) 13.348 5.224 ( -0.000 -5.828 -0.000) 5.828 5.228 ( 0.000 3.168 0.000) 3.168 5.248 ( 0.000 8.826 0.000) 8.826 5.451 ( 0.000 3.990 0.000) 3.990 5.468 ( 0.000 5.330 0.000) 5.330 5.609 ( -0.000 -5.462 -0.000) 5.462 5.870 ( -0.000 -1.989 -0.000) 1.989 6.003 ( 0.000 2.662 0.000) 2.662 6.148 ( -0.000 -4.849 -0.000) 4.849 6.455 ( 0.000 2.437 0.000) 2.437 7.639 ( 0.000 0.596 0.000) 0.596 7.940 ( -0.000 -1.427 -0.000) 1.427 7.993 ( -0.000 -1.813 -0.000) 1.813 8.302 ( 0.000 5.951 0.000) 5.951 8.823 ( 0.000 0.797 0.000) 0.797 8.994 ( -0.000 -2.393 -0.000) 2.393 9.050 ( 0.000 4.762 0.000) 4.762 9.135 ( -0.000 -4.684 -0.000) 4.684 9.213 ( -0.000 -0.780 -0.000) 0.780 9.538 ( -0.000 -6.201 -0.000) 6.201 9.699 ( 0.000 0.145 0.000) 0.145 9.797 ( 0.000 8.959 0.000) 8.959 9.914 ( 0.000 3.379 0.000) 3.379 10.103 ( -0.000 -10.289 -0.000) 10.289 10.269 ( -0.000 -2.168 -0.000) 2.168 10.668 ( -0.000 -11.123 -0.000) 11.123 11.107 ( -0.000 -5.393 -0.000) 5.393 11.272 ( 0.000 0.196 0.000) 0.196 11.397 ( -0.000 -0.076 -0.000) 0.076 11.523 ( 0.000 2.874 0.000) 2.874 11.605 ( 0.000 2.120 0.000) 2.120 11.683 ( 0.000 5.043 0.000) 5.043 12.110 ( 0.000 7.952 0.000) 7.952 12.356 ( -0.000 -0.431 -0.000) 0.431 12.407 ( -0.000 -3.169 -0.000) 3.169 12.670 ( 0.000 1.092 0.000) 1.092 12.883 ( -0.000 -8.661 -0.000) 8.661 13.074 ( -0.000 -7.121 -0.000) 7.121 13.354 ( 0.000 5.733 0.000) 5.733 13.531 ( 0.000 0.959 0.000) 0.959 13.800 ( 0.000 3.303 0.000) 3.303 13.874 ( 0.000 7.413 0.000) 7.413 13.992 ( -0.000 -9.039 -0.000) 9.039 14.606 ( 0.000 0.387 0.000) 0.387 14.944 ( 0.000 8.111 0.000) 8.111 15.439 ( 0.000 14.346 0.000) 14.346 15.495 ( 0.000 8.433 0.000) 8.433 15.678 ( 0.000 8.882 0.000) 8.882 15.770 ( -0.000 -11.465 -0.000) 11.465 15.904 ( -0.000 -6.913 -0.000) 6.913 16.446 ( -0.000 -8.228 -0.000) 8.228 17.061 ( 0.000 3.719 0.000) 3.719 17.125 ( 0.000 1.252 0.000) 1.252 17.198 ( 0.000 1.468 0.000) 1.468 17.233 ( 0.000 2.147 0.000) 2.147 17.561 ( -0.000 -6.519 -0.000) 6.519 19.760 ( 0.000 6.578 0.000) 6.578 20.181 ( 0.000 9.196 0.000) 9.196 20.567 ( -0.000 -13.382 -0.000) 13.382 20.897 ( -0.000 -11.706 -0.000) 11.706 22.002 ( 0.000 14.427 0.000) 14.427 22.476 ( 0.000 13.742 0.000) 13.742 23.022 ( -0.000 -8.094 -0.000) 8.094 23.351 ( -0.000 -8.718 -0.000) 8.718 27.220 ( 0.000 16.812 0.000) 16.812 28.725 ( 0.000 4.005 0.000) 4.005 28.781 ( -0.000 -20.713 -0.000) 20.713 28.969 ( -0.000 -22.163 -0.000) 22.163 30.506 ( 0.000 14.455 0.000) 14.455 30.812 ( 0.000 11.105 0.000) 11.105 30.927 ( 0.000 6.790 0.000) 6.790 30.967 ( 0.000 6.645 0.000) 6.645 31.528 ( -0.000 -9.798 -0.000) 9.798 31.583 ( 0.000 2.457 0.000) 2.457 31.626 ( -0.000 -11.962 -0.000) 11.962 32.321 ( 0.000 2.240 0.000) 2.240 32.585 ( 0.000 10.675 0.000) 10.675 32.851 ( 0.000 13.071 0.000) 13.071 33.377 ( -0.000 -4.534 -0.000) 4.534 33.787 ( -0.000 -7.487 -0.000) 7.487 35.311 ( 0.000 0.626 0.000) 0.626 35.439 ( 0.000 1.728 0.000) 1.728 35.548 ( 0.000 1.479 0.000) 1.479 35.965 ( -0.000 -0.030 -0.000) 0.030 36.051 ( -0.000 -0.650 -0.000) 0.650 36.257 ( -0.000 -3.253 -0.000) 3.253 37.214 ( 0.000 11.396 0.000) 11.396 37.980 ( -0.000 -13.265 -0.000) 13.265======================= Grid point 19 (13/114) =======================q-point: ( 0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.201 ( 20.611 -0.000 18.121) 27.444 1.225 ( 22.759 -0.000 23.247) 32.533 2.133 ( 31.245 -0.000 27.190) 41.419 2.274 ( -5.945 0.000 7.311) 9.423 2.618 ( 10.837 -0.000 -2.207) 11.059 2.725 ( 14.846 -0.000 16.290) 22.040 2.761 ( 0.325 -0.000 3.265) 3.281 3.037 ( -4.806 0.000 -4.957) 6.904 3.383 ( 2.719 -0.000 -15.527) 15.764 3.492 ( 0.478 -0.000 -12.269) 12.279 3.520 ( -7.266 0.000 -6.471) 9.730 3.594 ( 7.601 -0.000 4.120) 8.646 3.746 ( -2.358 0.000 6.705) 7.108 3.919 ( 2.459 -0.000 -1.822) 3.061 4.072 ( -7.922 0.000 -17.406) 19.124 4.197 ( -14.934 0.000 0.800) 14.955 4.336 ( -5.274 0.000 -0.970) 5.363 4.601 ( -8.442 0.000 -1.318) 8.544 4.720 ( -7.255 0.000 -4.768) 8.681 4.888 ( -3.539 0.000 -4.664) 5.855 4.985 ( 2.332 -0.000 -1.629) 2.845 5.034 ( -0.446 0.000 6.514) 6.530 5.356 ( -3.123 0.000 0.387) 3.147 5.442 ( 7.314 -0.000 14.001) 15.796 5.637 ( -0.736 0.000 3.814) 3.885 5.842 ( -10.635 0.000 -6.574) 12.503 5.919 ( -1.763 0.000 4.457) 4.793 6.015 ( -0.525 0.000 4.495) 4.525 6.236 ( 6.124 -0.000 0.299) 6.132 6.414 ( 2.455 -0.000 -0.114) 2.458 7.794 ( -0.003 0.000 -1.377) 1.377 7.869 ( 1.233 -0.000 0.643) 1.391 8.131 ( 10.242 -0.000 2.756) 10.606 8.288 ( 1.567 -0.000 -3.651) 3.973 8.894 ( -3.423 0.000 1.816) 3.875 9.080 ( -0.980 0.000 1.875) 2.116 9.204 ( 7.129 -0.000 1.589) 7.304 9.273 ( -16.399 0.000 -2.507) 16.590 9.348 ( 7.340 -0.000 5.016) 8.890 9.396 ( 2.567 -0.000 3.766) 4.558 9.652 ( -1.964 0.000 8.487) 8.711 9.786 ( -1.180 0.000 -6.129) 6.241 10.079 ( 5.313 -0.000 -1.637) 5.559 10.152 ( 0.673 -0.000 -7.643) 7.672 10.456 ( 3.984 -0.000 -0.942) 4.094 10.821 ( 0.159 -0.000 -0.988) 1.001 10.983 ( -6.330 0.000 -0.112) 6.331 11.257 ( -2.783 0.000 -3.736) 4.659 11.429 ( 1.842 -0.000 3.985) 4.390 11.593 ( 1.574 -0.000 2.926) 3.323 11.689 ( 6.166 -0.000 2.705) 6.734 11.976 ( -0.665 0.000 -6.171) 6.207 12.282 ( 6.987 -0.000 14.986) 16.535 12.474 ( -2.570 0.000 -0.876) 2.715 12.488 ( 0.099 -0.000 -1.841) 1.844 12.653 ( 1.214 -0.000 1.662) 2.058 12.935 ( -2.077 0.000 -4.316) 4.790 13.184 ( -2.627 0.000 -5.827) 6.392 13.287 ( 0.777 -0.000 3.514) 3.599 13.426 ( -3.404 0.000 -0.588) 3.454 13.553 ( -3.398 0.000 -1.454) 3.696 13.707 ( 0.645 -0.000 2.217) 2.309 14.646 ( -1.118 0.000 -3.462) 3.638 14.663 ( -0.059 0.000 -1.106) 1.107 14.760 ( -7.258 0.000 -2.680) 7.737 15.023 ( -1.010 0.000 -1.206) 1.573 15.108 ( -9.829 0.000 -1.127) 9.893 15.308 ( -1.083 0.000 2.126) 2.386 15.726 ( 3.990 -0.000 -7.394) 8.402 16.247 ( 5.260 -0.000 -0.677) 5.303 16.533 ( -5.048 0.000 3.418) 6.097 16.544 ( -3.611 0.000 2.075) 4.164 16.942 ( -0.009 0.000 -1.259) 1.259 17.062 ( -2.456 0.000 -1.202) 2.734 17.109 ( -2.803 0.000 -0.064) 2.804 17.310 ( 5.087 -0.000 4.604) 6.860 19.796 ( 8.922 -0.000 0.869) 8.965 19.902 ( -0.663 0.000 -5.099) 5.142 20.979 ( 1.616 -0.000 0.705) 1.763 21.069 ( 0.220 -0.000 -0.952) 0.977 21.735 ( -3.312 0.000 3.855) 5.082 22.199 ( 1.243 -0.000 1.297) 1.797 23.179 ( -0.250 0.000 0.812) 0.850 23.448 ( -0.000 0.000 0.274) 0.274 26.899 ( 0.024 -0.000 -0.037) 0.044 26.908 ( -0.112 0.000 -0.096) 0.147 29.508 ( 0.509 -0.000 0.284) 0.582 29.531 ( 5.118 -0.000 3.555) 6.231 30.230 ( -6.726 0.000 -5.847) 8.912 30.684 ( -4.296 0.000 -2.637) 5.041 30.715 ( -3.932 0.000 -2.773) 4.811 31.264 ( -4.148 0.000 -6.121) 7.394 31.265 ( -2.096 0.000 -1.958) 2.868 31.837 ( -2.345 0.000 3.819) 4.482 31.992 ( 5.602 -0.000 3.363) 6.534 32.214 ( 2.893 -0.000 3.219) 4.328 32.575 ( 0.666 -0.000 2.909) 2.984 33.368 ( -3.265 0.000 -3.020) 4.448 33.904 ( -1.485 0.000 0.472) 1.558 34.575 ( 11.721 -0.000 -16.526) 20.260 35.301 ( -0.620 0.000 0.339) 0.707 35.386 ( 2.000 -0.000 -4.140) 4.597 35.539 ( 1.960 -0.000 -0.700) 2.081 35.911 ( -3.615 0.000 -1.060) 3.768 35.963 ( -9.992 0.000 11.466) 15.209 36.080 ( -3.082 0.000 4.938) 5.821 36.186 ( -2.570 0.000 -5.493) 6.065 38.501 ( 9.649 -0.000 9.001) 13.195======================= Grid point 20 (14/114) =======================q-point: ( 0.38 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.453 ( 15.655 -4.975 13.791) 21.448 1.628 ( 17.969 -8.142 11.617) 22.894 2.248 ( -7.911 -3.113 5.843) 10.316 2.528 ( 9.332 -0.941 7.132) 11.783 2.645 ( 16.110 2.378 6.708) 17.612 2.782 ( 2.062 -5.621 9.988) 11.645 2.897 ( 13.711 0.028 -4.382) 14.394 3.095 ( 2.847 -7.375 8.638) 11.710 3.353 ( -3.103 1.276 -10.537) 11.059 3.431 ( -1.769 -0.203 -2.987) 3.478 3.440 ( -2.603 -3.921 -7.836) 9.141 3.730 ( 6.174 -5.340 0.126) 8.164 3.755 ( 0.046 1.328 4.343) 4.542 3.896 ( -4.114 -1.565 -20.708) 21.171 3.963 ( -8.474 0.836 1.963) 8.738 4.050 ( -7.737 2.344 5.263) 9.646 4.275 ( -10.457 -0.355 0.479) 10.474 4.531 ( -1.708 2.450 1.040) 3.162 4.644 ( -4.057 0.479 -5.790) 7.086 4.842 ( -0.544 2.723 1.954) 3.396 4.920 ( -1.054 0.670 -0.978) 1.586 5.175 ( -0.257 -5.193 -2.784) 5.898 5.310 ( 0.271 1.479 2.565) 2.973 5.602 ( 3.893 0.727 7.250) 8.261 5.631 ( 0.779 -0.149 6.988) 7.033 5.724 ( -9.562 -1.850 -7.247) 12.140 5.924 ( -1.675 -0.366 2.080) 2.695 6.057 ( 0.226 -1.819 4.464) 4.826 6.223 ( 3.830 6.518 0.360) 7.568 6.357 ( 0.638 6.880 -2.351) 7.299 7.812 ( 2.947 -0.380 1.664) 3.405 7.898 ( 0.677 -0.926 2.015) 2.318 8.210 ( 9.395 1.156 1.357) 9.562 8.247 ( -2.278 1.829 -4.696) 5.531 8.827 ( -3.253 3.305 -0.028) 4.638 9.035 ( -1.747 3.545 -2.326) 4.586 9.135 ( -8.692 -0.383 -1.308) 8.798 9.276 ( 1.346 -0.487 -0.419) 1.492 9.397 ( 0.496 3.020 2.348) 3.858 9.445 ( 4.774 -0.975 4.807) 6.845 9.734 ( -1.189 -3.036 6.002) 6.831 9.763 ( 2.366 -1.264 -0.984) 2.857 10.044 ( 2.255 3.669 -0.425) 4.327 10.159 ( 5.853 1.487 -2.167) 6.416 10.415 ( 0.456 5.381 -0.865) 5.469 10.770 ( 2.809 5.533 1.318) 6.344 10.978 ( -2.746 -3.040 0.170) 4.100 11.227 ( -2.451 -1.286 -3.446) 4.420 11.459 ( 5.084 1.269 2.670) 5.881 11.626 ( -1.330 -0.530 3.636) 3.908 11.746 ( 5.576 1.178 3.996) 6.961 11.952 ( 1.073 -2.258 -6.165) 6.653 12.272 ( 5.381 7.915 8.240) 12.629 12.438 ( 0.667 4.187 5.871) 7.242 12.474 ( -6.829 0.568 -2.907) 7.444 12.609 ( -0.321 3.385 -1.340) 3.655 12.857 ( -2.783 3.911 -3.769) 6.104 13.008 ( -2.814 9.491 -5.413) 11.283 13.320 ( 2.230 -1.907 -1.763) 3.423 13.463 ( -4.614 -5.284 1.843) 7.253 13.628 ( 1.236 -7.877 3.553) 8.729 13.714 ( 0.735 0.939 -0.558) 1.317 14.501 ( -8.940 4.670 -7.463) 12.547 14.765 ( 2.195 -8.058 -3.358) 9.001 14.808 ( -0.303 -1.676 8.776) 8.940 14.970 ( -3.666 -10.253 -3.103) 11.322 15.240 ( -11.083 -13.047 -5.318) 17.926 15.287 ( -1.625 0.075 -1.154) 1.994 15.849 ( 10.915 -8.263 -1.248) 13.746 16.215 ( 3.299 6.066 3.273) 7.642 16.454 ( -3.296 4.668 0.949) 5.792 16.538 ( -8.962 -1.444 -2.824) 9.507 16.963 ( 0.912 -2.397 -1.098) 2.790 17.065 ( -2.181 -2.654 -0.799) 3.527 17.170 ( -2.426 -7.620 -0.646) 8.023 17.379 ( 3.750 -0.934 3.185) 5.008 19.868 ( 7.397 -0.194 0.365) 7.408 19.915 ( -0.590 -5.210 -4.537) 6.934 20.843 ( 1.108 12.184 0.464) 12.243 21.054 ( 0.210 5.075 -0.361) 5.092 21.826 ( -2.227 -10.253 2.898) 10.885 22.309 ( 0.923 -9.525 0.933) 9.615 23.089 ( 0.305 8.952 0.973) 9.010 23.422 ( 0.211 3.505 0.340) 3.527 26.995 ( 0.509 -10.981 0.240) 10.995 27.089 ( -3.778 -18.187 -2.935) 18.805 29.275 ( -1.270 19.553 -2.140) 19.711 29.530 ( 6.075 9.291 4.910) 12.138 30.341 ( -5.088 -16.761 -2.925) 17.759 30.646 ( -3.806 -1.343 -2.453) 4.723 30.704 ( -4.464 -3.996 -2.978) 6.691 31.203 ( 0.171 -0.820 -3.149) 3.259 31.283 ( -3.598 -3.477 -3.340) 6.016 31.753 ( -0.566 7.896 2.474) 8.294 31.953 ( 3.227 9.182 2.153) 9.968 32.347 ( 2.092 -8.689 3.624) 9.645 32.696 ( 1.147 -9.741 2.483) 10.117 33.303 ( -3.271 2.549 -2.967) 5.099 33.847 ( -0.803 5.516 -0.328) 5.584 34.194 ( 13.314 32.836 -0.521) 35.436 35.308 ( -0.046 -0.904 -1.053) 1.388 35.390 ( -0.634 -1.411 -0.261) 1.569 35.543 ( 1.247 -0.300 -0.850) 1.538 35.925 ( 4.380 -0.955 -6.206) 7.656 36.059 ( -10.484 -2.658 9.170) 14.180 36.083 ( -1.223 -0.050 -0.514) 1.328 36.278 ( -7.417 -20.637 -5.051) 22.503 38.540 ( 8.104 8.883 7.665) 14.260======================= Grid point 21 (15/114) =======================q-point: ( 0.50 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.731 ( 8.141 -10.913 2.260) 13.801 1.862 ( 6.527 -7.355 0.789) 9.865 2.298 ( -4.855 -2.054 2.323) 5.761 2.609 ( 13.142 -3.570 -3.340) 14.022 2.746 ( 7.932 3.965 13.250) 15.943 2.922 ( 5.126 4.836 -1.942) 7.310 3.027 ( -8.441 -5.641 3.011) 10.589 3.160 ( 0.249 -0.292 -1.800) 1.841 3.274 ( 2.282 0.086 1.215) 2.586 3.375 ( -4.005 0.248 -4.116) 5.749 3.555 ( -1.114 -7.890 -2.117) 8.245 3.748 ( 0.029 -0.439 1.887) 1.938 3.796 ( -4.054 1.017 0.575) 4.219 3.863 ( -0.470 -2.067 -7.223) 7.527 3.905 ( 4.532 -8.483 -3.903) 10.379 4.086 ( -3.875 0.900 14.681) 15.210 4.231 ( -7.429 -3.978 1.011) 8.488 4.517 ( 5.716 3.274 4.304) 7.869 4.594 ( -0.731 -1.139 -5.166) 5.340 4.833 ( 1.586 -1.873 1.476) 2.864 4.938 ( -2.008 -2.842 1.300) 3.715 5.146 ( -3.451 2.987 -10.212) 11.186 5.276 ( -2.424 1.576 -1.753) 3.381 5.524 ( -0.542 7.145 1.936) 7.422 5.718 ( -2.221 -5.446 2.086) 6.240 5.742 ( 1.746 -0.800 1.849) 2.665 5.985 ( 2.782 -5.441 2.878) 6.755 6.069 ( -0.898 10.076 -0.735) 10.143 6.122 ( 0.064 -1.370 3.860) 4.096 6.181 ( -0.092 9.979 -3.362) 10.530 7.828 ( 1.527 1.516 -0.240) 2.166 7.897 ( -2.187 2.655 1.644) 3.812 8.108 ( -5.448 4.052 -6.285) 9.252 8.320 ( 11.042 -2.440 4.062) 12.016 8.800 ( -0.519 -1.945 -0.199) 2.023 8.929 ( -3.043 3.379 -5.042) 6.789 9.110 ( -3.183 -1.860 1.187) 3.873 9.259 ( 1.036 2.726 -0.721) 3.004 9.335 ( 0.729 5.650 2.463) 6.206 9.454 ( -1.376 2.434 -1.792) 3.321 9.764 ( 2.967 0.288 2.878) 4.144 9.855 ( -1.250 -3.732 1.536) 4.224 10.007 ( -1.277 0.979 1.902) 2.491 10.103 ( 5.512 9.602 1.814) 11.219 10.330 ( 1.360 3.576 -0.657) 3.882 10.707 ( 3.142 5.582 2.893) 7.028 11.026 ( -0.459 -2.659 -0.263) 2.711 11.234 ( -1.108 -3.259 -2.648) 4.343 11.484 ( 7.323 3.107 1.495) 8.095 11.623 ( -4.296 -0.078 2.549) 4.996 11.757 ( 5.163 3.658 2.032) 6.646 12.028 ( 1.547 -4.921 -0.287) 5.166 12.247 ( 0.926 2.471 3.963) 4.761 12.352 ( -3.668 1.967 -3.145) 5.217 12.397 ( 1.584 4.757 5.489) 7.434 12.551 ( 0.963 3.430 -0.593) 3.612 12.733 ( -6.468 4.556 -2.179) 8.206 12.843 ( -1.460 2.120 -5.853) 6.394 13.348 ( 0.917 -1.589 -3.391) 3.856 13.532 ( -5.752 -4.498 0.987) 7.368 13.670 ( -0.884 -1.859 -2.274) 3.067 13.856 ( 7.030 -4.991 7.499) 11.426 14.359 ( -10.080 -3.639 -8.407) 13.621 14.709 ( 5.491 12.587 2.044) 13.884 14.995 ( -2.060 -11.503 2.268) 11.904 15.127 ( -1.738 -5.140 -0.048) 5.426 15.308 ( -4.180 -11.539 -1.534) 12.368 15.411 ( -3.728 -11.729 -3.566) 12.813 15.982 ( 10.170 4.470 1.660) 11.233 16.278 ( 6.565 -5.022 2.019) 8.509 16.345 ( -5.695 0.638 2.436) 6.227 16.452 ( -9.627 -0.870 -5.672) 11.208 17.009 ( 0.442 -2.681 -1.406) 3.059 17.109 ( -1.173 -3.514 0.595) 3.752 17.275 ( -1.163 -5.753 -1.432) 6.042 17.421 ( 1.620 0.165 1.494) 2.210 19.921 ( 4.186 -1.290 -0.462) 4.404 20.023 ( -0.549 -9.686 -3.089) 10.182 20.617 ( 0.535 14.019 0.561) 14.041 20.904 ( -0.075 10.443 0.313) 10.448 22.062 ( -1.007 -15.257 1.845) 15.401 22.519 ( 0.565 -12.366 0.279) 12.382 22.918 ( 0.156 10.482 0.636) 10.503 23.330 ( 0.389 7.242 0.372) 7.262 27.281 ( 1.293 -19.438 0.555) 19.489 27.387 ( -5.174 -20.947 -3.966) 21.938 28.865 ( -1.895 22.927 -2.290) 23.119 29.378 ( 7.033 15.669 5.411) 18.007 30.610 ( -2.127 -14.636 0.041) 14.790 30.664 ( -2.141 -5.542 -1.938) 6.249 30.760 ( -5.169 -9.234 -3.136) 11.037 31.229 ( -0.969 -3.172 -2.824) 4.356 31.307 ( -0.678 -2.880 -1.693) 3.409 31.609 ( -0.541 8.788 0.725) 8.834 31.790 ( 0.850 11.344 1.507) 11.476 32.538 ( 1.585 -8.374 3.162) 9.090 32.920 ( 1.620 -12.131 2.006) 12.401 33.200 ( -2.556 4.576 -2.505) 5.810 33.685 ( 7.078 15.442 -2.340) 17.148 33.781 ( 2.418 20.774 5.235) 21.559 35.319 ( -0.042 -0.917 -1.032) 1.381 35.419 ( -0.858 -2.274 0.367) 2.458 35.558 ( 0.419 -1.068 -0.907) 1.463 35.946 ( 2.760 -1.083 -3.142) 4.320 36.053 ( -2.208 0.050 2.002) 2.981 36.070 ( -1.904 0.270 2.271) 2.976 36.592 ( -7.045 -23.079 -5.040) 24.651 38.400 ( 5.212 16.164 5.048) 17.718======================= Grid point 22 (16/114) =======================q-point: ( 0.62 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.897 ( -1.969 2.685 -4.009) 5.212 2.112 ( 5.763 -17.547 1.698) 18.547 2.276 ( -4.015 -4.892 -1.871) 6.599 2.595 ( -3.331 15.811 -3.587) 16.552 2.699 ( 3.764 12.085 5.257) 13.706 2.876 ( 10.556 -7.970 -1.486) 13.310 3.061 ( -6.565 -3.686 1.131) 7.614 3.130 ( -3.014 6.311 4.695) 8.424 3.287 ( 1.026 1.677 -7.888) 8.130 3.345 ( -2.394 -2.980 1.687) 4.178 3.619 ( -0.268 -1.842 0.723) 1.997 3.746 ( -0.772 6.277 1.782) 6.571 3.822 ( 0.927 -2.022 2.867) 3.629 3.896 ( 7.794 -4.618 -7.513) 11.769 4.064 ( -9.526 -8.082 1.738) 12.613 4.114 ( 2.816 0.319 7.980) 8.469 4.323 ( 2.182 -4.854 7.373) 9.093 4.524 ( -0.679 0.657 3.009) 3.154 4.594 ( 4.129 1.535 -7.315) 8.539 4.898 ( -3.515 4.752 -6.751) 8.973 4.977 ( 0.748 -3.043 -0.618) 3.194 5.012 ( -1.869 -9.159 2.246) 9.614 5.251 ( -0.523 -0.239 -1.851) 1.938 5.417 ( -0.684 3.874 -0.359) 3.951 5.744 ( 5.659 6.659 2.383) 9.058 5.817 ( -1.290 -6.356 -0.526) 6.507 5.857 ( -4.419 5.226 -1.183) 6.946 5.988 ( -1.061 7.774 -1.423) 7.974 6.148 ( 0.770 0.419 1.364) 1.621 6.201 ( 2.782 -9.190 3.329) 10.163 7.755 ( -3.064 4.177 -1.703) 5.453 7.860 ( 0.979 0.789 2.864) 3.128 7.989 ( -4.575 1.279 -5.789) 7.489 8.472 ( 8.363 -1.728 3.921) 9.397 8.826 ( -1.569 1.197 -2.813) 3.436 8.866 ( -1.198 -3.884 -0.449) 4.089 9.134 ( 3.461 3.415 2.753) 5.588 9.226 ( -0.787 -1.790 -1.677) 2.576 9.248 ( -0.378 4.611 1.302) 4.806 9.356 ( -3.075 4.327 -1.968) 5.662 9.790 ( 1.451 0.394 3.215) 3.549 9.861 ( 0.121 2.212 -0.909) 2.395 9.945 ( -2.000 5.881 0.195) 6.215 10.071 ( -0.124 -4.959 0.861) 5.035 10.267 ( 2.670 6.094 0.425) 6.667 10.626 ( 0.808 6.907 0.482) 6.971 11.044 ( -0.489 -0.182 -0.260) 0.583 11.286 ( 0.154 -3.276 -1.034) 3.439 11.458 ( 3.371 5.021 1.091) 6.145 11.619 ( -1.530 -0.666 1.296) 2.113 11.727 ( 3.864 4.801 0.737) 6.206 12.002 ( -4.936 4.611 -0.340) 6.763 12.274 ( -0.445 -3.046 -0.250) 3.089 12.336 ( 0.250 0.989 -0.418) 1.103 12.426 ( 5.755 -4.404 3.078) 7.873 12.546 ( 2.346 -3.075 -0.668) 3.925 12.609 ( -5.954 1.758 -0.160) 6.210 12.770 ( -0.142 6.151 -1.087) 6.248 13.398 ( 4.249 -3.957 -0.256) 5.812 13.536 ( -9.838 -5.548 -3.707) 11.887 13.733 ( -0.055 -4.223 -0.571) 4.262 13.913 ( 3.400 5.650 2.706) 7.128 14.430 ( -4.958 -10.988 -0.710) 12.075 14.473 ( 2.786 15.319 -1.554) 15.648 15.160 ( -0.665 -6.306 2.094) 6.678 15.212 ( 0.114 -6.758 -0.985) 6.831 15.411 ( -0.953 -1.159 -0.306) 1.531 15.571 ( -1.494 -9.162 -0.664) 9.307 16.005 ( 11.093 2.651 3.973) 12.077 16.234 ( -3.825 2.397 -0.178) 4.518 16.255 ( -8.889 4.990 -5.379) 11.525 16.648 ( 3.434 -16.346 2.320) 16.863 17.048 ( -0.460 -2.669 -1.299) 3.004 17.166 ( -0.433 -2.820 1.024) 3.031 17.328 ( 0.556 -0.642 -1.157) 1.435 17.423 ( -0.270 0.077 0.653) 0.711 19.993 ( 1.360 -5.285 -0.553) 5.485 20.206 ( -0.341 -12.346 -1.158) 12.405 20.369 ( 0.093 14.346 0.253) 14.348 20.717 ( -0.004 10.663 0.617) 10.680 22.346 ( 0.044 -15.752 1.076) 15.789 22.714 ( 2.794 5.622 -1.156) 6.384 22.759 ( -2.666 -7.009 0.997) 7.565 23.177 ( 0.123 10.468 0.135) 10.470 27.671 ( -0.122 -22.290 -0.366) 22.294 27.715 ( -1.958 -22.099 -1.482) 22.235 28.422 ( -1.260 24.434 -1.222) 24.497 29.176 ( 5.698 14.971 4.225) 16.566 30.724 ( -1.655 -5.654 -0.528) 5.914 30.798 ( -0.624 -7.067 -0.866) 7.147 30.971 ( -1.767 -16.066 -0.252) 16.165 31.250 ( -1.521 -2.001 -1.740) 3.057 31.346 ( 0.929 -1.445 -0.322) 1.747 31.443 ( -1.399 8.992 -1.116) 9.169 31.598 ( -0.914 10.225 0.161) 10.267 32.673 ( 1.406 -2.565 2.203) 3.662 33.057 ( -0.488 5.848 1.097) 5.970 33.175 ( 0.773 -10.730 -1.147) 10.819 33.416 ( 6.862 15.928 -0.513) 17.351 33.534 ( -3.862 11.254 1.384) 11.979 35.327 ( -0.150 -0.475 -0.427) 0.656 35.454 ( -0.283 -1.819 0.057) 1.842 35.573 ( -0.124 -0.866 -0.385) 0.955 35.960 ( 0.267 -0.451 -0.781) 0.940 36.051 ( 0.029 0.499 0.620) 0.797 36.083 ( 0.184 -1.803 1.133) 2.138 36.933 ( -3.290 -22.262 -2.810) 22.678 38.130 ( 2.361 18.948 2.316) 19.235======================= Grid point 23 (17/114) =======================q-point: (-0.25 0.25 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.681 ( 0.000 14.719 0.000) 14.719 2.031 ( 0.000 22.290 0.000) 22.290 2.455 ( -0.000 -2.713 -0.000) 2.713 2.499 ( 0.000 11.419 0.000) 11.419 2.645 ( -0.000 -27.528 -0.000) 27.528 2.881 ( 0.000 13.050 0.000) 13.050 3.078 ( -0.000 -1.016 -0.000) 1.016 3.100 ( 0.000 4.748 0.000) 4.748 3.230 ( -0.000 -2.485 -0.000) 2.485 3.376 ( -0.000 -2.522 -0.000) 2.522 3.511 ( 0.000 19.419 0.000) 19.419 3.634 ( 0.000 2.763 0.000) 2.763 3.818 ( 0.000 3.705 0.000) 3.705 3.984 ( 0.000 0.065 0.000) 0.065 4.010 ( 0.000 1.275 0.000) 1.275 4.242 ( -0.000 -6.014 -0.000) 6.014 4.493 ( -0.000 -7.842 -0.000) 7.842 4.495 ( -0.000 -3.704 -0.000) 3.704 4.567 ( -0.000 -1.701 -0.000) 1.701 4.841 ( -0.000 -1.203 -0.000) 1.203 5.052 ( -0.000 -5.539 -0.000) 5.539 5.185 ( -0.000 -2.052 -0.000) 2.052 5.295 ( -0.000 -10.066 -0.000) 10.066 5.378 ( 0.000 0.886 0.000) 0.886 5.611 ( 0.000 7.124 0.000) 7.124 5.831 ( -0.000 -0.123 -0.000) 0.123 5.844 ( 0.000 7.508 0.000) 7.508 5.934 ( -0.000 -6.825 -0.000) 6.825 6.121 ( 0.000 2.845 0.000) 2.845 6.377 ( -0.000 -7.123 -0.000) 7.123 7.679 ( 0.000 2.100 0.000) 2.100 7.896 ( -0.000 -1.293 -0.000) 1.293 7.935 ( -0.000 -0.608 -0.000) 0.608 8.501 ( 0.000 3.210 0.000) 3.210 8.810 ( -0.000 -1.387 -0.000) 1.387 8.929 ( -0.000 -2.466 -0.000) 2.466 9.074 ( 0.000 3.551 0.000) 3.551 9.187 ( 0.000 1.436 0.000) 1.436 9.220 ( 0.000 4.298 0.000) 4.298 9.329 ( -0.000 -3.969 -0.000) 3.969 9.786 ( 0.000 4.976 0.000) 4.976 9.816 ( -0.000 -1.554 -0.000) 1.554 9.913 ( -0.000 -3.711 -0.000) 3.711 10.150 ( 0.000 7.995 0.000) 7.995 10.186 ( -0.000 -6.089 -0.000) 6.089 10.501 ( 0.000 5.782 0.000) 5.782 11.036 ( 0.000 0.346 0.000) 0.346 11.313 ( 0.000 0.249 0.000) 0.249 11.399 ( 0.000 2.686 0.000) 2.686 11.611 ( 0.000 1.966 0.000) 1.966 11.670 ( 0.000 2.348 0.000) 2.348 11.882 ( 0.000 6.150 0.000) 6.150 12.308 ( -0.000 -1.748 -0.000) 1.748 12.333 ( -0.000 -0.757 -0.000) 0.757 12.554 ( 0.000 8.258 0.000) 8.258 12.566 ( -0.000 -6.738 -0.000) 6.738 12.622 ( 0.000 2.539 0.000) 2.539 12.704 ( -0.000 -11.546 -0.000) 11.546 13.473 ( -0.000 -0.137 -0.000) 0.137 13.626 ( -0.000 -10.913 -0.000) 10.913 13.751 ( 0.000 4.073 0.000) 4.073 13.832 ( 0.000 2.189 0.000) 2.189 14.207 ( 0.000 13.154 0.000) 13.154 14.586 ( -0.000 -5.832 -0.000) 5.832 15.199 ( 0.000 3.289 0.000) 3.289 15.362 ( -0.000 -9.926 -0.000) 9.926 15.421 ( -0.000 -4.089 -0.000) 4.089 15.673 ( -0.000 -1.812 -0.000) 1.812 15.980 ( 0.000 10.552 0.000) 10.552 16.152 ( -0.000 -5.305 -0.000) 5.305 16.155 ( 0.000 7.239 0.000) 7.239 16.949 ( -0.000 -13.898 -0.000) 13.898 17.087 ( -0.000 -2.557 -0.000) 2.557 17.208 ( -0.000 -1.568 -0.000) 1.568 17.287 ( 0.000 3.975 0.000) 3.975 17.436 ( -0.000 -1.018 -0.000) 1.018 20.123 ( 0.000 13.183 0.000) 13.183 20.131 ( -0.000 -9.917 -0.000) 9.917 20.432 ( -0.000 -13.416 -0.000) 13.416 20.534 ( 0.000 10.236 0.000) 10.236 22.510 ( 0.000 12.971 0.000) 12.971 22.618 ( -0.000 -14.241 -0.000) 14.241 22.968 ( 0.000 12.942 0.000) 12.942 22.970 ( -0.000 -12.167 -0.000) 12.167 27.977 ( 0.000 24.387 0.000) 24.387 28.040 ( -0.000 -20.947 -0.000) 20.947 28.131 ( -0.000 -24.314 -0.000) 24.314 28.984 ( 0.000 11.026 0.000) 11.026 30.785 ( -0.000 -0.999 -0.000) 0.999 30.906 ( -0.000 -5.227 -0.000) 5.227 31.163 ( -0.000 -2.058 -0.000) 2.058 31.259 ( 0.000 9.791 0.000) 9.791 31.291 ( -0.000 -4.527 -0.000) 4.527 31.362 ( -0.000 -0.421 -0.000) 0.421 31.479 ( -0.000 -0.618 -0.000) 0.618 32.621 ( 0.000 9.737 0.000) 9.737 32.926 ( 0.000 8.254 0.000) 8.254 33.239 ( 0.000 0.354 0.000) 0.354 33.310 ( 0.000 12.387 0.000) 12.387 33.433 ( -0.000 -11.095 -0.000) 11.095 35.328 ( 0.000 0.114 0.000) 0.114 35.473 ( -0.000 -0.365 -0.000) 0.365 35.580 ( -0.000 -0.025 -0.000) 0.025 35.963 ( -0.000 -0.121 -0.000) 0.121 36.045 ( 0.000 0.330 0.000) 0.330 36.134 ( -0.000 -3.108 -0.000) 3.108 37.287 ( -0.000 -19.074 -0.000) 19.074 37.822 ( 0.000 16.441 0.000) 16.441======================= Grid point 28 (18/114) =======================q-point: ( 0.38 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.620 ( 12.453 -0.000 9.989) 15.964 1.806 ( 19.270 -0.000 22.574) 29.680 2.172 ( -7.518 0.000 3.927) 8.482 2.646 ( -3.413 0.000 -6.211) 7.086 2.771 ( 5.116 -0.000 5.563) 7.558 2.851 ( 12.897 -0.000 14.644) 19.514 2.883 ( -1.001 0.000 -6.882) 6.954 3.016 ( 5.539 -0.000 0.868) 5.606 3.309 ( 8.636 -0.000 -11.655) 14.506 3.368 ( -3.679 0.000 -4.547) 5.849 3.411 ( 2.478 -0.000 -3.204) 4.051 3.685 ( -0.457 0.000 -13.336) 13.344 3.763 ( -2.011 0.000 -4.191) 4.649 3.804 ( -1.175 0.000 6.543) 6.648 3.900 ( -9.862 0.000 -0.849) 9.899 4.063 ( -2.242 0.000 5.923) 6.334 4.161 ( -14.597 0.000 0.712) 14.614 4.586 ( 5.707 -0.000 -0.593) 5.737 4.597 ( -3.391 0.000 1.600) 3.750 4.854 ( -0.519 0.000 4.611) 4.640 5.027 ( 2.597 -0.000 -2.386) 3.526 5.049 ( -1.152 0.000 -1.922) 2.241 5.332 ( -1.897 0.000 0.009) 1.897 5.565 ( -11.113 0.000 -8.110) 13.757 5.683 ( 6.494 -0.000 8.099) 10.381 5.699 ( 1.578 -0.000 6.925) 7.103 5.911 ( -2.336 0.000 0.764) 2.458 6.055 ( -0.344 0.000 2.607) 2.630 6.331 ( 4.431 -0.000 1.049) 4.554 6.407 ( -1.075 0.000 -2.641) 2.852 7.863 ( 5.940 -0.000 4.523) 7.466 7.923 ( 3.119 -0.000 3.607) 4.768 8.216 ( -2.773 0.000 -6.709) 7.260 8.279 ( 4.806 -0.000 0.936) 4.896 8.862 ( -2.275 0.000 0.851) 2.429 8.925 ( -14.553 0.000 -7.942) 16.579 9.094 ( -1.316 0.000 1.444) 1.954 9.308 ( 3.985 -0.000 1.003) 4.109 9.420 ( -1.581 0.000 -1.188) 1.978 9.524 ( 5.269 -0.000 4.671) 7.041 9.730 ( -0.728 0.000 6.840) 6.879 9.776 ( 4.075 -0.000 0.205) 4.080 10.119 ( 1.007 -0.000 -1.378) 1.707 10.173 ( 9.090 -0.000 -0.801) 9.125 10.480 ( -0.066 0.000 -0.200) 0.211 10.843 ( 1.975 -0.000 0.672) 2.086 10.936 ( -1.191 0.000 1.257) 1.732 11.178 ( -2.575 0.000 -2.345) 3.483 11.503 ( 2.106 -0.000 3.471) 4.060 11.661 ( 1.314 -0.000 4.966) 5.136 11.826 ( 6.363 -0.000 4.915) 8.040 11.884 ( -0.620 0.000 -7.801) 7.826 12.338 ( -3.373 0.000 -2.463) 4.176 12.385 ( -8.273 0.000 -4.476) 9.406 12.585 ( 4.272 -0.000 11.304) 12.084 12.593 ( -5.253 0.000 -6.023) 7.991 12.898 ( 1.901 -0.000 -2.258) 2.951 13.087 ( -2.654 0.000 -4.115) 4.897 13.340 ( 1.672 -0.000 2.567) 3.064 13.449 ( 4.531 -0.000 2.994) 5.431 13.491 ( -2.466 0.000 -1.492) 2.882 13.733 ( 0.014 -0.000 0.304) 0.304 14.427 ( -15.326 0.000 -8.628) 17.588 14.644 ( -0.491 0.000 -1.172) 1.271 14.669 ( -1.841 0.000 -0.222) 1.855 14.959 ( -5.098 0.000 -0.546) 5.127 15.006 ( 0.273 -0.000 -1.037) 1.072 15.311 ( -0.649 0.000 0.790) 1.022 15.827 ( 10.271 -0.000 -0.646) 10.291 16.320 ( 4.437 -0.000 0.324) 4.449 16.472 ( -6.412 0.000 0.080) 6.412 16.495 ( -4.298 0.000 2.137) 4.800 16.934 ( 0.360 -0.000 -0.849) 0.922 17.025 ( -1.164 0.000 -0.352) 1.216 17.071 ( -1.638 0.000 -0.363) 1.678 17.415 ( 3.016 -0.000 2.719) 4.060 19.841 ( -0.511 0.000 -3.650) 3.685 19.930 ( 6.457 -0.000 0.788) 6.505 21.008 ( 1.177 -0.000 0.530) 1.290 21.063 ( 0.176 -0.000 -0.642) 0.666 21.730 ( -1.555 0.000 1.898) 2.454 22.229 ( 0.871 -0.000 0.958) 1.295 23.182 ( -0.276 0.000 0.476) 0.550 23.457 ( 0.503 -0.000 0.510) 0.716 26.899 ( 0.020 -0.000 -0.023) 0.031 26.905 ( -0.063 0.000 -0.087) 0.107 29.491 ( -0.920 0.000 -2.359) 2.532 29.647 ( 4.049 -0.000 3.452) 5.321 30.101 ( -4.242 0.000 -1.104) 4.383 30.595 ( -3.273 0.000 -2.245) 3.969 30.619 ( -3.784 0.000 -2.730) 4.666 31.161 ( -1.946 0.000 -3.624) 4.113 31.224 ( -0.638 0.000 -1.650) 1.769 31.841 ( -0.978 0.000 1.475) 1.769 32.096 ( 3.719 -0.000 2.033) 4.239 32.278 ( 1.561 -0.000 1.869) 2.435 32.616 ( 0.477 -0.000 2.512) 2.557 33.287 ( -2.694 0.000 -2.575) 3.726 33.887 ( -1.064 0.000 0.242) 1.091 34.569 ( 4.818 -0.000 -6.922) 8.434 35.289 ( -0.922 0.000 -0.200) 0.943 35.372 ( 0.720 -0.000 -2.022) 2.146 35.560 ( 1.468 -0.000 -0.346) 1.508 35.867 ( -1.419 0.000 0.321) 1.455 35.940 ( -4.264 0.000 4.068) 5.894 36.087 ( -1.832 0.000 3.041) 3.551 36.093 ( -2.114 0.000 -4.206) 4.707 38.720 ( 6.630 -0.000 6.144) 9.039======================= Grid point 29 (19/114) =======================q-point: ( 0.50 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.755 ( 7.087 -2.010 6.496) 9.821 1.917 ( 6.556 10.904 4.355) 13.448 2.203 ( -3.513 -5.709 2.228) 7.064 2.575 ( 3.992 -9.610 -0.894) 10.444 2.804 ( -4.170 0.648 2.311) 4.811 2.952 ( 5.935 2.567 3.681) 7.441 3.096 ( 2.689 -6.544 -1.489) 7.229 3.128 ( 5.145 -9.291 5.913) 12.155 3.227 ( -0.326 7.274 -6.060) 9.473 3.330 ( -2.385 -6.048 -8.395) 10.618 3.406 ( 0.069 2.136 0.940) 2.335 3.677 ( -0.248 -6.341 -7.676) 9.960 3.758 ( -5.421 -2.610 -1.690) 6.250 3.796 ( 0.446 2.255 0.981) 2.500 3.840 ( -0.292 -0.800 1.554) 1.772 4.083 ( -6.336 -1.619 3.907) 7.618 4.132 ( -1.930 -3.771 1.963) 4.669 4.556 ( -1.467 0.326 -2.184) 2.651 4.656 ( 6.895 1.609 6.345) 9.507 4.877 ( 0.392 3.210 3.646) 4.873 4.922 ( 0.460 1.447 -0.309) 1.550 5.087 ( -2.594 -0.892 -7.761) 8.231 5.285 ( -2.275 2.214 -1.376) 3.460 5.539 ( -4.105 -7.368 -2.294) 8.741 5.686 ( 0.272 6.554 4.488) 7.948 5.769 ( 3.064 -1.036 3.360) 4.663 5.926 ( 0.329 -3.537 1.327) 3.792 6.095 ( -0.107 -2.892 1.756) 3.385 6.263 ( 0.674 9.601 -0.689) 9.650 6.324 ( -0.311 7.083 -1.702) 7.292 7.906 ( 5.272 3.205 2.708) 6.738 7.949 ( 0.342 2.348 2.967) 3.799 8.113 ( -4.743 4.012 -5.779) 8.485 8.344 ( 4.922 -3.836 1.457) 6.407 8.757 ( -3.943 0.662 -2.218) 4.572 8.925 ( -3.909 -2.875 -2.070) 5.276 9.046 ( -1.657 2.518 0.218) 3.022 9.320 ( 1.891 2.358 0.232) 3.031 9.402 ( -1.214 -0.358 -0.061) 1.267 9.526 ( 1.898 4.849 0.875) 5.280 9.749 ( -1.447 0.170 1.682) 2.225 9.845 ( 4.239 -2.841 2.233) 5.570 10.067 ( -0.205 4.017 -0.243) 4.029 10.272 ( 8.628 -0.308 0.737) 8.665 10.391 ( -3.626 6.940 0.482) 7.845 10.827 ( 1.799 3.582 1.144) 4.169 10.971 ( 0.182 -3.116 0.661) 3.190 11.165 ( -1.323 -1.682 -1.565) 2.652 11.540 ( 1.957 -0.684 1.411) 2.508 11.664 ( 0.054 3.524 3.804) 5.186 11.839 ( 1.881 0.332 -2.432) 3.092 11.945 ( 4.299 -4.310 2.626) 6.630 12.259 ( -8.691 2.240 -4.064) 9.852 12.329 ( 0.149 -0.963 -1.038) 1.424 12.534 ( -2.953 -0.923 -3.608) 4.753 12.642 ( 4.458 3.441 11.186) 12.524 12.802 ( -0.122 8.711 -1.767) 8.889 12.872 ( -4.347 12.970 -8.125) 15.910 13.312 ( 0.081 0.782 -0.888) 1.185 13.474 ( 0.404 -2.553 1.997) 3.267 13.671 ( -0.130 1.069 1.112) 1.548 13.764 ( 5.067 -13.582 1.430) 14.567 14.239 ( -10.518 3.930 -5.572) 12.534 14.741 ( -0.467 -12.726 -0.817) 12.760 14.886 ( -1.219 -6.503 6.165) 9.043 14.922 ( 1.239 -10.570 -4.209) 11.444 15.084 ( -3.402 -6.028 -1.824) 7.158 15.266 ( -0.246 1.237 -0.659) 1.423 16.001 ( 7.579 -9.881 0.129) 12.454 16.291 ( 2.452 4.625 2.335) 5.732 16.383 ( -7.177 4.796 -1.454) 8.754 16.431 ( -1.142 3.991 0.058) 4.152 16.951 ( -0.456 -2.143 -0.831) 2.343 17.053 ( 0.330 -3.209 0.195) 3.232 17.135 ( -1.221 -7.098 -0.390) 7.213 17.444 ( 1.362 0.124 1.231) 1.840 19.870 ( -0.267 -5.389 -1.888) 5.716 19.957 ( 3.149 1.343 0.210) 3.429 20.860 ( 0.439 12.277 0.213) 12.287 21.053 ( 0.100 5.123 -0.120) 5.125 21.825 ( -0.685 -10.429 0.949) 10.494 22.328 ( 0.405 -9.100 0.425) 9.119 23.100 ( 0.075 8.404 0.402) 8.414 23.432 ( 0.333 3.604 0.301) 3.632 27.004 ( 0.278 -11.751 0.110) 11.755 27.036 ( -0.955 -13.643 -0.767) 13.697 29.229 ( -1.020 20.174 -1.589) 20.263 29.652 ( 3.042 7.451 2.663) 8.478 30.268 ( -1.999 -18.122 -0.348) 18.235 30.579 ( -1.621 -1.899 -1.392) 2.859 30.615 ( -2.579 -3.382 -1.663) 4.567 31.156 ( -0.983 -2.233 -1.807) 3.036 31.242 ( -0.061 -2.941 -0.862) 3.065 31.764 ( -0.192 7.579 0.656) 7.610 32.006 ( 1.196 10.506 0.910) 10.613 32.399 ( 0.918 -8.817 1.293) 8.958 32.733 ( 0.583 -10.055 1.263) 10.151 33.236 ( -1.578 2.514 -1.486) 3.320 33.834 ( -0.488 5.303 -0.068) 5.326 34.308 ( 3.775 24.822 -0.732) 25.118 35.293 ( -0.332 -1.073 -0.646) 1.296 35.380 ( -0.228 -1.468 -0.171) 1.496 35.550 ( 0.460 0.456 -0.285) 0.708 35.933 ( 2.494 -0.836 -2.550) 3.663 36.030 ( -1.674 -4.997 4.020) 6.628 36.071 ( -3.150 -0.544 1.736) 3.638 36.149 ( -2.390 -15.073 -3.738) 15.712 38.695 ( 3.335 9.970 3.120) 10.966======================= Grid point 30 (20/114) =======================q-point: ( 0.62 0.38 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( -0.000 -6.203 -0.000) 6.203 1.878 ( -0.000 -4.179 -0.000) 4.179 2.264 ( -0.000 -0.438 -0.000) 0.438 2.786 ( -0.000 -4.281 -0.000) 4.281 2.827 ( 0.000 2.034 0.000) 2.034 2.928 ( -0.000 -1.751 -0.000) 1.751 2.973 ( 0.000 13.322 0.000) 13.322 3.164 ( -0.000 -3.636 -0.000) 3.636 3.249 ( -0.000 -4.690 -0.000) 4.690 3.325 ( 0.000 5.714 0.000) 5.714 3.526 ( -0.000 -9.059 -0.000) 9.059 3.759 ( -0.000 -4.819 -0.000) 4.819 3.789 ( -0.000 -2.881 -0.000) 2.881 3.815 ( -0.000 -4.379 -0.000) 4.379 3.908 ( -0.000 -5.141 -0.000) 5.141 4.105 ( -0.000 -2.711 -0.000) 2.711 4.227 ( -0.000 -6.401 -0.000) 6.401 4.546 ( -0.000 -0.555 -0.000) 0.555 4.669 ( 0.000 3.572 0.000) 3.572 4.855 ( -0.000 -2.548 -0.000) 2.548 4.947 ( -0.000 -1.713 -0.000) 1.713 4.982 ( 0.000 5.932 0.000) 5.932 5.252 ( 0.000 0.572 0.000) 0.572 5.540 ( 0.000 9.449 0.000) 9.449 5.671 ( -0.000 -8.281 -0.000) 8.281 5.808 ( -0.000 -1.227 -0.000) 1.227 6.042 ( 0.000 14.325 0.000) 14.325 6.051 ( -0.000 -8.590 -0.000) 8.590 6.140 ( 0.000 3.883 0.000) 3.883 6.154 ( 0.000 4.920 0.000) 4.920 7.841 ( 0.000 6.448 0.000) 6.448 7.903 ( 0.000 2.267 0.000) 2.267 7.997 ( 0.000 4.014 0.000) 4.014 8.464 ( -0.000 -4.619 -0.000) 4.619 8.776 ( -0.000 -4.298 -0.000) 4.298 8.867 ( 0.000 4.656 0.000) 4.656 9.085 ( -0.000 -6.296 -0.000) 6.296 9.258 ( 0.000 4.744 0.000) 4.744 9.395 ( 0.000 1.918 0.000) 1.918 9.406 ( 0.000 8.574 0.000) 8.574 9.747 ( -0.000 -1.324 -0.000) 1.324 9.942 ( -0.000 -4.669 -0.000) 4.669 9.972 ( 0.000 6.106 0.000) 6.106 10.162 ( 0.000 11.894 0.000) 11.894 10.345 ( 0.000 0.973 0.000) 0.973 10.753 ( 0.000 6.072 0.000) 6.072 11.024 ( -0.000 -2.024 -0.000) 2.024 11.209 ( -0.000 -4.166 -0.000) 4.166 11.577 ( -0.000 -2.159 -0.000) 2.159 11.582 ( 0.000 6.093 0.000) 6.093 11.835 ( 0.000 2.583 0.000) 2.583 12.015 ( -0.000 -0.019 -0.000) 0.019 12.209 ( -0.000 -3.443 -0.000) 3.443 12.337 ( 0.000 0.642 0.000) 0.642 12.525 ( 0.000 11.235 0.000) 11.235 12.542 ( -0.000 -1.066 -0.000) 1.066 12.641 ( 0.000 6.893 0.000) 6.893 12.771 ( -0.000 -3.749 -0.000) 3.749 13.331 ( -0.000 -3.958 -0.000) 3.958 13.479 ( 0.000 2.943 0.000) 2.943 13.662 ( -0.000 -3.192 -0.000) 3.192 14.063 ( 0.000 7.137 0.000) 7.137 14.120 ( -0.000 -17.836 -0.000) 17.836 14.764 ( 0.000 13.682 0.000) 13.682 14.988 ( -0.000 -13.193 -0.000) 13.193 15.117 ( -0.000 -3.395 -0.000) 3.395 15.262 ( -0.000 -15.696 -0.000) 15.696 15.367 ( -0.000 -10.838 -0.000) 10.838 16.144 ( 0.000 0.995 0.000) 0.995 16.219 ( 0.000 5.967 0.000) 5.967 16.334 ( 0.000 5.810 0.000) 5.810 16.382 ( -0.000 -13.561 -0.000) 13.561 16.992 ( -0.000 -2.904 -0.000) 2.904 17.116 ( -0.000 -3.138 -0.000) 3.138 17.256 ( -0.000 -6.388 -0.000) 6.388 17.441 ( 0.000 1.075 0.000) 1.075 19.952 ( -0.000 -0.225 -0.000) 0.225 20.001 ( -0.000 -9.841 -0.000) 9.841 20.625 ( 0.000 14.132 0.000) 14.132 20.906 ( 0.000 10.251 0.000) 10.251 22.065 ( -0.000 -15.558 -0.000) 15.558 22.526 ( -0.000 -12.244 -0.000) 12.244 22.924 ( 0.000 10.933 0.000) 10.933 23.337 ( 0.000 7.336 0.000) 7.336 27.293 ( -0.000 -19.708 -0.000) 19.708 27.329 ( -0.000 -19.602 -0.000) 19.602 28.835 ( 0.000 22.909 0.000) 22.909 29.471 ( 0.000 14.157 0.000) 14.157 30.618 ( -0.000 -20.772 -0.000) 20.772 30.625 ( -0.000 -4.340 -0.000) 4.340 30.680 ( -0.000 -5.671 -0.000) 5.671 31.194 ( -0.000 -2.789 -0.000) 2.789 31.302 ( -0.000 -3.492 -0.000) 3.492 31.609 ( 0.000 9.604 0.000) 9.604 31.806 ( 0.000 12.211 0.000) 12.211 32.569 ( -0.000 -8.771 -0.000) 8.771 32.949 ( -0.000 -12.847 -0.000) 12.847 33.160 ( 0.000 4.786 0.000) 4.786 33.701 ( 0.000 9.069 0.000) 9.069 33.850 ( 0.000 26.707 0.000) 26.707 35.310 ( -0.000 -1.088 -0.000) 1.088 35.414 ( -0.000 -2.314 -0.000) 2.314 35.556 ( -0.000 -0.813 -0.000) 0.813 35.948 ( -0.000 -0.754 -0.000) 0.754 36.061 ( -0.000 -0.978 -0.000) 0.978 36.064 ( 0.000 0.517 0.000) 0.517 36.504 ( -0.000 -23.249 -0.000) 23.249 38.471 ( 0.000 16.879 0.000) 16.879======================= Grid point 39 (21/114) =======================q-point: (-0.50 -0.50 0.00)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 66Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.773 ( 0.000 -0.000 0.000) 0.000 2.134 ( 0.000 -0.000 0.000) 0.000 2.220 ( 0.000 -0.000 0.000) 0.000 2.424 ( -0.000 0.000 -0.000) 0.000 2.790 ( 0.000 -0.000 0.000) 0.000 2.856 ( 0.000 -0.000 0.000) 0.000 3.040 ( 0.000 -0.000 0.000) 0.000 3.124 ( 0.000 -0.000 0.000) 0.000 3.282 ( 0.000 -0.000 0.000) 0.000 3.313 ( 0.000 -0.000 0.000) 0.000 3.432 ( 0.000 -0.000 0.000) 0.000 3.575 ( 0.000 -0.000 0.000) 0.000 3.693 ( -0.000 0.000 0.000) 0.000 3.834 ( -0.000 0.000 0.000) 0.000 3.839 ( 0.000 -0.000 0.000) 0.000 4.038 ( 0.000 -0.000 -0.000) 0.000 4.099 ( 0.000 -0.000 0.000) 0.000 4.548 ( 0.000 -0.000 0.000) 0.000 4.720 ( 0.000 -0.000 0.000) 0.000 4.915 ( 0.000 -0.000 0.000) 0.000 4.996 ( 0.000 -0.000 0.000) 0.000 5.002 ( 0.000 -0.000 -0.000) 0.000 5.306 ( 0.000 -0.000 -0.000) 0.000 5.418 ( 0.000 -0.000 0.000) 0.000 5.775 ( 0.000 -0.000 0.000) 0.000 5.786 ( 0.000 -0.000 0.000) 0.000 5.892 ( 0.000 -0.000 0.000) 0.000 6.064 ( 0.000 -0.000 0.000) 0.000 6.367 ( 0.000 -0.000 0.000) 0.000 6.374 ( 0.000 -0.000 0.000) 0.000 7.986 ( 0.000 -0.000 0.000) 0.000 7.998 ( 0.000 -0.000 0.000) 0.000 8.101 ( 0.000 -0.000 0.000) 0.000 8.310 ( 0.000 -0.000 0.000) 0.000 8.749 ( 0.000 -0.000 0.000) 0.000 8.849 ( 0.000 -0.000 0.000) 0.000 9.094 ( 0.000 -0.000 0.000) 0.000 9.355 ( -0.000 0.000 -0.000) 0.000 9.370 ( 0.000 -0.000 0.000) 0.000 9.586 ( 0.000 -0.000 0.000) 0.000 9.765 ( 0.000 -0.000 0.000) 0.000 9.838 ( 0.000 -0.000 0.000) 0.000 10.103 ( 0.000 -0.000 0.000) 0.000 10.283 ( 0.000 -0.000 0.000) 0.000 10.464 ( 0.000 -0.000 0.000) 0.000 10.867 ( 0.000 -0.000 0.000) 0.000 10.943 ( 0.000 -0.000 0.000) 0.000 11.142 ( 0.000 -0.000 0.000) 0.000 11.547 ( 0.000 -0.000 -0.000) 0.000 11.718 ( 0.000 -0.000 -0.000) 0.000 11.816 ( 0.000 -0.000 0.000) 0.000 11.943 ( -0.000 0.000 0.000) 0.000 12.251 ( 0.000 -0.000 0.000) 0.000 12.289 ( 0.000 -0.000 0.000) 0.000 12.473 ( 0.000 -0.000 0.000) 0.000 12.695 ( 0.000 -0.000 -0.000) 0.000 12.910 ( 0.000 -0.000 0.000) 0.000 13.033 ( 0.000 -0.000 0.000) 0.000 13.379 ( 0.000 -0.000 0.000) 0.000 13.454 ( -0.000 0.000 -0.000) 0.000 13.543 ( 0.000 -0.000 0.000) 0.000 13.713 ( 0.000 -0.000 -0.000) 0.000 14.228 ( 0.000 -0.000 0.000) 0.000 14.632 ( 0.000 -0.000 0.000) 0.000 14.655 ( 0.000 -0.000 0.000) 0.000 14.923 ( 0.000 -0.000 0.000) 0.000 15.003 ( 0.000 -0.000 0.000) 0.000 15.310 ( 0.000 -0.000 0.000) 0.000 15.920 ( 0.000 -0.000 0.000) 0.000 16.367 ( 0.000 -0.000 0.000) 0.000 16.408 ( 0.000 -0.000 0.000) 0.000 16.464 ( 0.000 -0.000 0.000) 0.000 16.932 ( 0.000 -0.000 0.000) 0.000 17.016 ( 0.000 -0.000 0.000) 0.000 17.056 ( 0.000 -0.000 0.000) 0.000 17.454 ( 0.000 -0.000 0.000) 0.000 19.815 ( 0.000 -0.000 0.000) 0.000 19.987 ( 0.000 -0.000 0.000) 0.000 21.021 ( 0.000 -0.000 0.000) 0.000 21.060 ( 0.000 -0.000 0.000) 0.000 21.729 ( 0.000 -0.000 0.000) 0.000 22.242 ( 0.000 -0.000 0.000) 0.000 23.182 ( 0.000 -0.000 0.000) 0.000 23.466 ( 0.000 -0.000 0.000) 0.000 26.899 ( 0.000 -0.000 0.000) 0.000 26.904 ( 0.000 -0.000 0.000) 0.000 29.462 ( 0.000 -0.000 0.000) 0.000 29.702 ( 0.000 -0.000 0.000) 0.000 30.069 ( 0.000 -0.000 0.000) 0.000 30.554 ( 0.000 -0.000 0.000) 0.000 30.569 ( 0.000 -0.000 0.000) 0.000 31.126 ( 0.000 -0.000 0.000) 0.000 31.210 ( 0.000 -0.000 0.000) 0.000 31.842 ( 0.000 -0.000 0.000) 0.000 32.138 ( 0.000 -0.000 0.000) 0.000 32.301 ( 0.000 -0.000 0.000) 0.000 32.635 ( 0.000 -0.000 0.000) 0.000 33.248 ( 0.000 -0.000 0.000) 0.000 33.880 ( 0.000 -0.000 0.000) 0.000 34.567 ( 0.000 -0.000 0.000) 0.000 35.279 ( 0.000 -0.000 0.000) 0.000 35.365 ( 0.000 -0.000 0.000) 0.000 35.570 ( 0.000 -0.000 0.000) 0.000 35.863 ( 0.000 -0.000 0.000) 0.000 35.929 ( 0.000 -0.000 -0.000) 0.000 36.048 ( 0.000 -0.000 0.000) 0.000 36.091 ( 0.000 -0.000 0.000) 0.000 38.809 ( 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): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.598 ( 11.810 -0.000 28.361) 30.722 0.745 ( -0.367 0.000 33.109) 33.111 1.157 ( 11.419 -0.000 51.124) 52.384 2.067 ( 0.544 -0.000 6.187) 6.211 2.455 ( 1.408 -0.000 8.160) 8.281 2.536 ( 9.515 -0.000 7.282) 11.982 2.775 ( -1.859 0.000 -0.523) 1.931 3.130 ( -1.138 0.000 -3.279) 3.471 3.336 ( 2.785 -0.000 6.702) 7.257 3.434 ( -1.808 0.000 -23.278) 23.348 3.458 ( 1.983 -0.000 -8.802) 9.022 3.709 ( 0.059 -0.000 -3.758) 3.758 3.779 ( -0.288 0.000 -0.467) 0.548 3.921 ( -1.194 0.000 2.417) 2.695 4.221 ( -1.060 0.000 -6.626) 6.710 4.420 ( -3.664 0.000 -7.112) 8.001 4.539 ( -6.673 0.000 7.646) 10.149 4.687 ( 1.326 -0.000 -4.359) 4.556 4.809 ( 1.837 -0.000 2.129) 2.812 4.951 ( 3.069 -0.000 -14.531) 14.852 5.075 ( 1.058 -0.000 -2.452) 2.671 5.146 ( -14.232 0.000 6.170) 15.512 5.352 ( -4.004 0.000 5.959) 7.180 5.535 ( -3.258 0.000 -10.069) 10.583 5.664 ( 0.576 -0.000 8.805) 8.824 5.910 ( 10.436 -0.000 0.641) 10.456 5.979 ( -1.045 0.000 3.679) 3.824 5.984 ( 0.430 -0.000 7.605) 7.617 6.279 ( -5.411 0.000 -0.599) 5.444 6.330 ( 0.936 -0.000 0.887) 1.290 7.661 ( 3.802 -0.000 2.883) 4.772 7.949 ( -12.576 0.000 -5.182) 13.602 8.072 ( -3.271 0.000 -2.364) 4.036 8.178 ( -0.713 0.000 3.454) 3.527 8.947 ( 1.727 -0.000 2.358) 2.923 9.047 ( 0.414 -0.000 1.433) 1.492 9.088 ( 4.857 -0.000 2.442) 5.436 9.183 ( -0.704 0.000 -0.466) 0.844 9.347 ( -0.895 0.000 7.888) 7.939 9.584 ( -2.210 0.000 -2.802) 3.568 9.648 ( 4.702 -0.000 -0.229) 4.708 9.838 ( 2.214 -0.000 1.647) 2.760 9.905 ( 1.457 -0.000 -3.763) 4.036 10.208 ( -3.752 0.000 -5.922) 7.011 10.397 ( -2.458 0.000 3.924) 4.630 10.877 ( -4.862 0.000 -9.330) 10.521 11.195 ( -0.113 0.000 -0.294) 0.315 11.321 ( -3.796 0.000 -0.480) 3.826 11.388 ( -3.526 0.000 3.596) 5.036 11.548 ( 1.059 -0.000 2.195) 2.437 11.553 ( 1.694 -0.000 -3.853) 4.209 11.908 ( 2.838 -0.000 -3.723) 4.681 12.266 ( 1.621 -0.000 10.441) 10.566 12.436 ( -3.315 0.000 5.540) 6.456 12.455 ( 0.494 -0.000 -0.918) 1.043 12.492 ( 6.199 -0.000 2.190) 6.574 13.022 ( -1.933 0.000 -3.687) 4.163 13.024 ( 7.386 -0.000 -10.868) 13.140 13.420 ( -1.638 0.000 5.551) 5.787 13.537 ( 0.270 -0.000 -2.079) 2.097 13.637 ( -2.192 0.000 -0.162) 2.198 13.689 ( 0.986 -0.000 0.605) 1.157 14.644 ( 4.227 -0.000 -1.006) 4.345 14.651 ( 0.520 -0.000 -2.376) 2.433 14.893 ( 32.784 -0.000 0.779) 32.793 14.899 ( -3.200 0.000 0.346) 3.219 15.092 ( 3.862 -0.000 4.061) 5.604 15.316 ( 2.364 -0.000 1.768) 2.952 15.588 ( 29.714 -0.000 -0.363) 29.716 16.008 ( -13.220 0.000 -8.284) 15.601 16.553 ( 2.196 -0.000 5.826) 6.226 16.623 ( 1.726 -0.000 1.964) 2.614 16.986 ( -2.200 0.000 -1.296) 2.553 17.057 ( 2.404 -0.000 -3.422) 4.182 17.143 ( 5.067 -0.000 3.666) 6.254 17.268 ( -5.486 0.000 4.830) 7.309 19.608 ( 1.404 -0.000 -0.795) 1.614 19.921 ( -3.396 0.000 -5.635) 6.579 20.951 ( -0.170 0.000 1.171) 1.184 21.132 ( -3.679 0.000 -1.322) 3.909 21.984 ( -8.805 0.000 1.038) 8.866 22.139 ( 2.592 -0.000 -1.568) 3.029 23.184 ( -1.377 0.000 1.452) 2.002 23.435 ( 1.160 -0.000 -1.890) 2.217 26.900 ( -0.035 0.000 0.119) 0.124 26.911 ( -0.034 0.000 -0.037) 0.050 29.362 ( 4.929 -0.000 2.672) 5.606 29.496 ( -0.080 0.000 2.088) 2.090 30.472 ( -8.199 0.000 1.681) 8.370 30.788 ( -0.394 0.000 -2.080) 2.117 30.791 ( -2.510 0.000 -0.456) 2.551 31.075 ( 106.109 -0.000 -3.490) 106.167 31.393 ( -5.583 0.000 1.678) 5.830 31.469 ( 19.958 -0.000 -0.657) 19.969 31.837 ( 3.113 -0.000 2.912) 4.263 31.947 ( -3.303 0.000 0.471) 3.337 32.380 ( 13.771 -0.000 3.784) 14.282 32.547 ( 0.692 -0.000 2.010) 2.126 33.452 ( -1.592 0.000 -0.776) 1.771 33.897 ( 3.396 -0.000 -2.930) 4.485 35.326 ( -1.140 0.000 2.485) 2.734 35.461 ( 0.357 -0.000 0.682) 0.770 35.514 ( -1.446 0.000 1.201) 1.880 35.977 ( 0.775 -0.000 -3.527) 3.611 36.057 ( -0.671 0.000 -1.000) 1.204 36.288 ( -3.993 0.000 -3.170) 5.098 38.145 ( -78.976 0.000 0.020) 78.976 38.159 ( 11.696 -0.000 -1.178) 11.755======================= Grid point 70 (23/114) =======================q-point: ( 0.12 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.051 ( 14.350 -17.325 18.607) 29.193 1.057 ( 4.205 -12.046 26.833) 29.712 1.781 ( 18.341 -22.325 34.354) 44.888 2.147 ( 10.190 -1.470 1.547) 10.412 2.502 ( 0.772 2.564 3.372) 4.306 2.634 ( -0.205 -0.243 1.562) 1.594 2.741 ( 1.213 0.601 2.445) 2.794 2.944 ( 6.428 3.957 1.894) 7.782 3.399 ( 2.093 -1.733 3.374) 4.332 3.452 ( 0.739 -2.129 -9.797) 10.053 3.519 ( 0.999 -10.171 -6.236) 11.972 3.657 ( -4.651 -0.131 -7.560) 8.877 3.756 ( 0.792 3.302 2.029) 3.955 3.968 ( -0.513 -2.667 3.824) 4.690 4.105 ( -1.472 3.451 -10.236) 10.902 4.339 ( -3.518 4.091 -5.681) 7.835 4.477 ( -11.006 2.693 4.117) 12.056 4.695 ( -0.254 -2.379 -5.804) 6.278 4.815 ( -0.415 2.645 -2.922) 3.963 4.882 ( -3.004 0.491 -5.255) 6.073 5.026 ( -4.975 -2.601 -8.932) 10.549 5.244 ( -1.676 -8.839 8.429) 12.328 5.280 ( -3.390 7.453 -1.735) 8.369 5.493 ( 0.355 -2.627 5.605) 6.200 5.667 ( 0.268 3.937 7.320) 8.315 5.847 ( 4.420 9.150 3.963) 10.907 5.965 ( -1.426 1.827 0.056) 2.318 6.059 ( 1.767 -0.232 3.377) 3.818 6.206 ( -2.711 2.341 0.413) 3.605 6.339 ( -2.895 0.063 -2.079) 3.564 7.746 ( 8.346 -1.136 4.119) 9.376 7.849 ( -6.345 0.251 -2.197) 6.720 8.041 ( -2.068 -0.160 -1.274) 2.434 8.208 ( 4.032 -0.411 -0.098) 4.054 8.927 ( -1.885 3.748 1.352) 4.408 9.059 ( 2.639 1.846 1.612) 3.601 9.104 ( -0.992 1.378 3.245) 3.662 9.178 ( 5.980 1.508 -0.471) 6.185 9.366 ( -0.281 1.940 7.303) 7.562 9.560 ( -4.750 -2.975 -0.231) 5.609 9.710 ( 3.312 -0.434 0.800) 3.434 9.808 ( 1.483 5.516 -6.433) 8.603 9.891 ( 3.759 -2.915 4.809) 6.764 10.127 ( -3.599 2.127 -4.401) 6.070 10.369 ( -0.242 3.481 2.299) 4.178 10.735 ( -1.419 6.825 -5.207) 8.700 11.197 ( -9.171 -1.823 -1.226) 9.431 11.263 ( 0.011 3.468 0.203) 3.473 11.319 ( 0.724 3.547 -1.232) 3.824 11.557 ( 4.360 -0.276 -1.938) 4.779 11.642 ( 3.000 -5.094 5.881) 8.338 11.841 ( 3.702 5.645 2.262) 7.119 12.175 ( 0.094 5.510 12.280) 13.460 12.429 ( 1.175 3.977 3.602) 5.493 12.462 ( 2.267 1.241 0.542) 2.641 12.608 ( 2.676 -1.647 -0.544) 3.189 12.925 ( 1.443 4.155 -6.798) 8.097 13.031 ( 0.505 -0.641 -7.216) 7.262 13.357 ( -5.210 2.028 4.172) 6.976 13.573 ( 1.563 -0.799 -1.485) 2.299 13.651 ( -2.557 -3.860 1.404) 4.839 13.732 ( -1.329 -4.182 0.157) 4.391 14.512 ( 12.134 11.860 7.042) 18.371 14.621 ( -0.584 3.905 -2.117) 4.480 14.845 ( -1.232 -9.594 4.996) 10.886 15.117 ( -2.568 -7.390 -2.757) 8.295 15.369 ( -5.863 -9.910 -5.534) 12.775 15.452 ( 5.049 -11.600 1.512) 12.741 15.729 ( -0.402 3.115 -5.502) 6.335 16.078 ( 3.923 -5.266 -8.831) 11.005 16.542 ( -1.263 3.768 0.610) 4.021 16.779 ( -2.126 -14.070 -11.725) 18.438 16.964 ( -1.876 -0.486 -1.294) 2.330 17.090 ( 2.885 -4.348 -4.718) 7.035 17.237 ( 4.700 -2.826 4.412) 7.038 17.278 ( -4.233 -2.968 3.199) 6.079 19.658 ( 3.947 -3.267 -0.818) 5.189 19.894 ( 1.145 -3.711 -7.950) 8.848 20.834 ( -0.765 11.176 2.502) 11.478 21.053 ( -0.390 6.564 -1.078) 6.663 21.988 ( -7.306 -7.333 6.079) 12.005 22.254 ( 2.700 -10.188 -1.329) 10.623 23.107 ( -2.578 6.758 1.757) 7.444 23.409 ( 0.869 3.479 -2.820) 4.562 26.989 ( -0.003 -9.829 0.469) 9.840 27.313 ( -9.941 -35.003 -17.989) 40.591 29.255 ( 5.628 16.051 3.120) 17.293 29.371 ( 1.032 15.034 0.605) 15.082 30.519 ( -3.578 -9.774 1.524) 10.519 30.780 ( -4.283 -2.079 0.014) 4.761 30.803 ( -1.732 -4.104 -2.142) 4.943 31.138 ( 9.354 6.016 2.716) 11.449 31.449 ( -4.881 -4.123 -5.589) 8.489 31.731 ( 9.907 7.252 2.357) 12.502 31.840 ( 0.526 9.447 0.415) 9.471 32.107 ( 34.687 -10.204 -10.226) 37.575 32.638 ( 37.170 -1.468 -5.498) 37.603 32.664 ( 5.210 -8.899 0.328) 10.318 33.410 ( -2.649 2.324 -0.752) 3.604 33.868 ( 2.779 4.047 -3.000) 5.754 35.337 ( -1.483 -0.653 2.609) 3.071 35.466 ( -0.075 -0.054 1.647) 1.650 35.525 ( -1.614 -1.490 2.220) 3.124 35.882 ( -0.252 3.245 -2.159) 3.906 36.173 ( -3.036 -6.142 -1.922) 7.116 36.234 ( -1.794 -1.410 -3.707) 4.353 37.377 ( -56.945 15.250 23.465) 63.450 38.211 ( 12.092 6.569 0.908) 13.791======================= Grid point 71 (24/114) =======================q-point: ( 0.25 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.479 ( 6.824 -16.222 17.537) 24.845 1.556 ( 10.126 -20.618 5.538) 23.628 2.208 ( 11.990 -1.791 1.747) 12.249 2.326 ( 5.293 1.475 -0.873) 5.564 2.428 ( 5.417 -4.853 5.504) 9.121 2.715 ( 3.582 -7.573 0.110) 8.378 2.961 ( 7.950 -16.846 12.917) 22.668 3.118 ( 4.576 -6.415 4.948) 9.305 3.338 ( -4.272 5.969 -8.024) 10.875 3.434 ( -0.685 1.946 4.702) 5.135 3.620 ( 3.852 -0.469 -5.708) 6.902 3.642 ( 0.510 -2.540 2.404) 3.534 3.717 ( 1.201 1.783 -1.104) 2.416 3.923 ( -6.127 0.088 -11.648) 13.162 4.085 ( -0.597 -0.091 6.203) 6.232 4.206 ( 3.062 3.883 -1.353) 5.127 4.338 ( -13.619 4.429 3.227) 14.680 4.643 ( -1.633 4.813 -8.003) 9.480 4.722 ( -7.724 -0.394 -1.955) 7.977 4.828 ( -1.458 0.651 1.484) 2.180 5.031 ( -3.904 -4.926 -7.206) 9.562 5.163 ( 0.276 -0.083 -6.190) 6.197 5.391 ( -4.796 -3.434 0.754) 5.946 5.568 ( -0.184 3.006 7.341) 7.935 5.659 ( 0.597 0.296 7.339) 7.369 5.731 ( 5.762 8.062 0.729) 9.937 5.908 ( 0.297 0.549 -1.291) 1.434 6.061 ( 4.047 3.899 0.041) 5.619 6.158 ( -1.887 2.704 3.741) 4.987 6.259 ( -7.738 1.496 -4.498) 9.075 7.807 ( 0.239 -0.163 0.742) 0.796 7.860 ( 6.653 -1.130 2.070) 7.058 8.031 ( -0.231 0.254 0.719) 0.797 8.244 ( 1.127 -1.806 -3.287) 3.916 8.834 ( -2.849 3.356 -0.227) 4.408 9.007 ( -0.700 3.588 -2.678) 4.532 9.075 ( 1.835 2.449 1.092) 3.249 9.189 ( 3.376 2.760 -0.319) 4.372 9.384 ( 0.638 0.861 6.549) 6.636 9.557 ( -5.621 3.685 -1.549) 6.897 9.615 ( 2.194 1.976 -2.122) 3.636 9.839 ( 7.676 0.147 -0.411) 7.689 9.974 ( -0.073 0.013 6.103) 6.103 10.086 ( -3.761 -3.968 1.562) 5.686 10.302 ( 0.201 4.836 -0.714) 4.893 10.604 ( 1.611 5.536 -0.624) 5.799 11.135 ( -6.439 -0.035 -0.121) 6.440 11.225 ( 3.779 1.894 0.064) 4.228 11.306 ( -0.436 -1.281 -0.609) 1.484 11.577 ( 3.832 0.726 -1.883) 4.331 11.788 ( -2.267 -3.927 2.888) 5.376 11.824 ( 8.052 0.985 6.279) 10.258 12.199 ( -0.112 -2.138 5.325) 5.740 12.369 ( 0.029 4.171 0.818) 4.251 12.443 ( 2.273 3.362 0.025) 4.058 12.573 ( -2.092 3.251 -2.202) 4.449 12.834 ( 2.048 4.699 -4.322) 6.705 12.941 ( -5.585 4.162 -4.612) 8.353 13.344 ( -2.665 -2.101 0.373) 3.414 13.597 ( 1.750 -0.793 -2.255) 2.962 13.751 ( 1.659 -5.867 7.277) 9.494 13.813 ( -5.414 -7.291 -0.095) 9.082 14.438 ( 10.105 11.210 5.639) 16.112 14.550 ( -1.879 0.854 -4.939) 5.353 15.047 ( -0.378 -9.090 4.371) 10.093 15.213 ( -4.185 -7.617 -3.481) 9.363 15.422 ( -3.271 -4.044 -2.225) 5.657 15.657 ( -6.191 -8.143 -0.821) 10.262 15.735 ( 4.561 -4.050 -2.425) 6.564 16.050 ( 5.824 2.128 2.454) 6.669 16.450 ( -2.033 4.782 1.680) 5.461 16.810 ( -9.882 -3.638 -12.240) 16.146 16.974 ( -0.987 -2.623 -0.705) 2.890 17.179 ( 1.599 -6.490 -6.769) 9.513 17.290 ( -1.389 -0.154 1.816) 2.291 17.359 ( 2.368 -3.042 4.026) 5.574 19.761 ( 4.171 -5.365 -0.929) 6.859 19.984 ( 3.454 -9.234 -9.089) 13.410 20.627 ( -1.382 12.620 3.437) 13.152 20.888 ( 1.115 10.848 -1.286) 10.981 22.162 ( -4.936 -12.546 5.671) 14.627 22.478 ( 2.206 -12.894 -1.678) 13.188 22.956 ( -3.367 8.406 2.155) 9.309 23.302 ( 1.464 7.546 -2.365) 8.042 27.246 ( 0.716 -17.919 1.731) 18.017 27.666 ( -11.881 -26.306 -16.491) 33.243 28.938 ( -2.033 21.626 0.078) 21.721 29.086 ( 10.017 20.839 2.707) 23.279 30.694 ( -0.835 -8.462 1.748) 8.681 30.811 ( -6.399 -6.111 0.632) 8.871 30.892 ( -3.582 -9.410 -1.095) 10.128 31.180 ( 2.239 -3.270 1.307) 4.173 31.407 ( -3.563 1.628 -4.507) 5.972 31.651 ( -1.437 9.298 1.373) 9.508 31.709 ( 5.738 4.538 0.450) 7.329 32.359 ( 19.496 -2.151 -5.374) 20.337 32.844 ( 20.479 -0.624 -1.583) 20.550 32.874 ( 7.769 -8.538 -2.334) 11.777 33.329 ( -3.322 3.746 -0.083) 5.007 33.766 ( 1.532 7.408 -2.760) 8.052 35.353 ( -1.901 -0.861 2.864) 3.543 35.485 ( -0.618 -1.194 1.775) 2.226 35.562 ( -2.178 -2.200 3.438) 4.626 35.850 ( 1.543 -0.050 -2.476) 2.918 36.130 ( -3.784 1.210 -2.294) 4.587 36.291 ( -5.553 -1.876 5.310) 7.909 37.073 ( -26.330 -4.579 7.019) 27.632 38.125 ( 12.226 14.156 1.711) 18.782======================= Grid point 72 (25/114) =======================q-point: ( 0.38 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.887 ( 4.161 -15.176 7.583) 17.468 1.974 ( 2.673 -18.234 -1.715) 18.509 2.306 ( 6.810 -1.703 1.419) 7.161 2.381 ( 7.217 -5.850 -5.331) 10.711 2.595 ( 5.703 -3.786 7.441) 10.111 2.783 ( -4.604 4.376 -2.075) 6.682 3.106 ( 2.718 -3.227 -3.213) 5.303 3.195 ( -1.932 6.799 -3.718) 7.987 3.358 ( 2.757 2.714 1.446) 4.130 3.407 ( -4.749 -6.151 4.996) 9.239 3.591 ( 1.990 0.861 -1.735) 2.777 3.657 ( 4.565 5.347 -2.543) 7.476 3.705 ( 6.939 0.551 2.590) 7.427 3.869 ( -1.250 -2.877 -6.656) 7.358 4.072 ( -10.728 1.934 -0.694) 10.923 4.193 ( 0.178 3.000 11.643) 12.025 4.302 ( 7.905 -3.846 5.719) 10.488 4.498 ( -4.628 3.977 -2.123) 6.460 4.655 ( -5.077 0.349 -4.847) 7.028 4.911 ( -1.241 -7.131 2.094) 7.535 5.041 ( 0.115 -1.837 -2.428) 3.047 5.098 ( -4.026 5.263 -8.392) 10.693 5.333 ( -6.239 -1.132 -4.516) 7.784 5.469 ( -1.602 6.479 3.154) 7.382 5.623 ( 2.137 4.317 2.980) 5.665 5.775 ( 3.064 -3.215 1.787) 4.788 5.990 ( 2.171 2.029 -4.692) 5.554 6.004 ( 6.324 -2.986 4.518) 8.326 6.081 ( -6.984 4.472 1.603) 8.446 6.184 ( -3.172 0.269 1.563) 3.546 7.821 ( 0.106 -0.929 -0.744) 1.195 7.929 ( 1.977 -0.793 0.612) 2.216 8.031 ( 1.924 1.195 1.537) 2.737 8.234 ( -1.695 -1.014 -2.892) 3.502 8.820 ( 1.236 -2.218 0.775) 2.655 8.937 ( -1.534 0.815 -4.530) 4.851 9.048 ( 2.242 3.414 2.034) 4.563 9.154 ( 1.719 1.691 -1.700) 2.950 9.375 ( -3.305 1.590 1.900) 4.131 9.411 ( -0.125 5.178 -3.697) 6.364 9.672 ( 2.897 -2.077 5.779) 6.790 9.773 ( 4.479 8.904 0.199) 9.969 10.077 ( 0.033 -5.108 7.056) 8.711 10.137 ( -5.870 -3.311 -2.730) 7.271 10.194 ( 0.578 5.776 -0.310) 5.813 10.538 ( 2.753 4.303 -1.263) 5.262 11.108 ( -2.700 0.131 1.983) 3.353 11.250 ( 2.000 -1.867 -0.048) 2.736 11.343 ( 1.000 -1.805 1.781) 2.726 11.569 ( 2.388 1.382 -2.218) 3.540 11.764 ( -2.935 2.942 2.186) 4.696 11.955 ( 7.158 -0.989 3.983) 8.251 12.283 ( 0.861 -2.966 -1.773) 3.561 12.323 ( -1.112 -1.460 -0.363) 1.870 12.385 ( -1.041 1.522 -0.583) 1.934 12.513 ( -1.008 -0.261 -0.699) 1.254 12.713 ( 0.853 7.747 -1.615) 7.960 12.802 ( -3.328 5.700 -0.548) 6.623 13.372 ( -2.224 -3.725 -1.707) 4.662 13.637 ( 3.526 -2.617 -0.407) 4.410 13.834 ( -2.876 0.245 3.286) 4.374 13.933 ( -5.863 -8.338 0.317) 10.198 14.319 ( 6.763 12.017 2.789) 14.068 14.528 ( -0.384 -4.349 -5.705) 7.184 15.189 ( -0.932 -4.805 4.628) 6.736 15.269 ( -4.146 -5.471 -2.607) 7.343 15.482 ( 0.157 -1.438 1.430) 2.034 15.591 ( -0.291 8.447 -0.520) 8.468 15.842 ( -3.225 -10.541 -1.875) 11.181 16.181 ( 6.399 -1.190 3.049) 7.187 16.433 ( 3.294 -3.002 4.347) 6.226 16.676 ( -9.442 1.884 -10.041) 13.911 17.019 ( -0.447 -3.265 -0.974) 3.436 17.250 ( 3.557 -2.160 -5.300) 6.739 17.277 ( -4.199 -0.556 2.380) 4.858 17.430 ( 1.012 -1.208 3.313) 3.669 19.903 ( 2.971 -8.240 -1.239) 8.846 20.147 ( 4.320 -10.179 -7.846) 13.558 20.416 ( -2.935 10.806 3.769) 11.814 20.694 ( 1.613 11.146 -0.878) 11.296 22.391 ( -3.076 -13.042 4.519) 14.141 22.669 ( 0.219 -3.710 -2.030) 4.234 22.821 ( -1.764 1.298 2.327) 3.195 23.146 ( 1.981 10.094 -1.900) 10.460 27.635 ( 1.476 -22.666 3.342) 22.959 27.920 ( -9.700 -21.273 -11.420) 26.020 28.503 ( -3.782 23.663 -1.660) 24.021 28.835 ( 13.284 19.238 4.070) 23.730 30.811 ( -2.571 -6.185 1.562) 6.878 30.889 ( -4.925 -5.751 0.752) 7.609 31.048 ( -2.737 -9.867 0.410) 10.247 31.260 ( 0.572 -2.586 0.041) 2.649 31.327 ( -0.261 2.391 -0.968) 2.593 31.477 ( 0.868 9.859 1.345) 9.988 31.674 ( -1.856 0.389 -6.402) 6.677 32.446 ( 17.317 4.652 -5.028) 18.622 32.948 ( 9.488 0.194 0.194) 9.492 33.091 ( 2.529 -11.745 -0.975) 12.054 33.237 ( -2.847 3.568 0.195) 4.569 33.605 ( -0.074 9.438 -1.936) 9.635 35.369 ( -2.269 -0.782 2.947) 3.801 35.509 ( -1.351 -1.019 1.746) 2.432 35.599 ( -2.531 -1.564 3.774) 4.806 35.867 ( 2.774 -1.334 -2.425) 3.919 36.092 ( -2.244 -0.240 0.885) 2.424 36.262 ( -9.118 2.549 10.156) 13.885 37.131 ( -9.573 -14.704 -5.755) 18.465 37.931 ( 10.314 17.483 0.905) 20.319======================= Grid point 73 (26/114) =======================q-point: (-0.50 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.027 ( -14.172 0.307 -8.937) 16.758 2.083 ( -3.281 6.935 2.774) 8.158 2.404 ( 2.325 -4.423 -4.573) 6.773 2.463 ( 2.604 5.062 2.104) 6.069 2.639 ( 3.849 -4.635 2.820) 6.652 2.794 ( -2.469 -7.345 -2.608) 8.176 3.009 ( -1.607 3.941 -0.029) 4.256 3.221 ( -3.567 10.027 -3.056) 11.073 3.254 ( 7.763 -1.741 3.691) 8.771 3.417 ( -2.420 -3.481 -0.508) 4.270 3.555 ( 3.207 7.655 -4.633) 9.505 3.596 ( 0.059 2.640 -0.498) 2.688 3.791 ( 0.551 2.779 6.037) 6.669 3.812 ( 5.663 5.932 -7.140) 10.873 3.938 ( 1.823 -1.077 -3.133) 3.782 4.352 ( 4.177 -3.951 13.190) 14.389 4.360 ( -3.663 2.705 3.741) 5.893 4.492 ( 2.683 -0.833 -1.463) 3.168 4.556 ( -2.276 -3.920 -6.342) 7.796 4.845 ( -1.073 4.419 -3.914) 6.000 5.043 ( 0.237 -3.817 -6.066) 7.171 5.113 ( 2.691 -0.792 2.711) 3.901 5.354 ( -3.119 -7.093 -1.132) 7.831 5.420 ( -3.772 -0.939 0.339) 3.902 5.621 ( 2.879 1.486 6.217) 7.011 5.801 ( 1.008 0.778 -5.826) 5.963 5.926 ( -8.665 2.594 2.434) 9.366 6.006 ( 0.346 -0.570 2.983) 3.057 6.096 ( 2.430 1.450 -1.160) 3.059 6.233 ( 5.711 -3.555 5.818) 8.894 7.828 ( -1.963 -1.562 -2.738) 3.714 7.894 ( -7.219 0.466 -0.839) 7.282 8.028 ( 0.616 0.829 -0.166) 1.046 8.296 ( 7.098 -2.097 2.984) 7.980 8.874 ( -2.658 -2.196 -2.801) 4.442 8.916 ( 0.259 -1.980 -1.328) 2.398 9.021 ( 1.288 2.023 3.622) 4.344 9.145 ( 1.474 -0.412 -2.117) 2.612 9.314 ( 0.067 3.264 -1.754) 3.705 9.363 ( -1.892 -1.085 -0.021) 2.181 9.669 ( 3.093 5.035 1.494) 6.095 9.782 ( 3.076 -3.417 7.561) 8.849 10.020 ( -2.866 4.985 -6.604) 8.757 10.136 ( -0.687 2.594 0.500) 2.730 10.214 ( -1.331 -4.773 3.481) 6.056 10.469 ( 0.864 2.605 -3.984) 4.838 11.106 ( -2.835 -0.779 2.870) 4.108 11.304 ( -0.399 -2.659 1.522) 3.090 11.371 ( -0.125 1.067 2.341) 2.576 11.551 ( 2.357 0.545 -3.072) 3.910 11.692 ( -2.123 3.109 0.480) 3.795 11.929 ( 1.266 7.638 -2.074) 8.015 12.308 ( 1.120 1.158 -1.011) 1.902 12.346 ( 3.596 -3.399 -0.202) 4.952 12.422 ( -2.955 -4.376 -1.042) 5.382 12.554 ( 0.483 3.727 1.671) 4.113 12.640 ( 3.465 -4.069 -0.514) 5.369 12.696 ( -1.485 0.920 1.541) 2.329 13.431 ( -0.810 -4.167 0.019) 4.245 13.705 ( 3.840 -0.181 2.923) 4.830 13.771 ( -1.831 5.756 -0.240) 6.045 13.939 ( -7.612 -2.230 -8.103) 11.339 14.186 ( -1.197 5.716 1.478) 6.025 14.627 ( 1.084 -5.669 -0.885) 5.840 15.237 ( -1.613 2.022 3.630) 4.458 15.347 ( -1.293 -5.543 -3.614) 6.742 15.394 ( 0.197 2.051 0.998) 2.289 15.562 ( 6.083 3.295 4.857) 8.453 15.989 ( -3.579 -8.768 -1.899) 9.659 16.158 ( 0.407 6.061 4.345) 7.469 16.387 ( -8.623 7.223 -7.108) 13.306 16.727 ( 10.864 -8.743 1.927) 14.078 17.058 ( 0.426 -1.363 -1.515) 2.082 17.234 ( 2.642 2.971 1.011) 4.102 17.297 ( -3.584 -2.831 -2.170) 5.057 17.462 ( -0.379 -0.477 2.880) 2.944 20.079 ( 2.171 -9.727 -1.774) 10.123 20.149 ( -0.656 9.551 -0.284) 9.578 20.410 ( 0.810 -10.690 -2.045) 10.914 20.519 ( 1.317 8.500 -0.555) 8.619 22.530 ( -1.883 11.927 2.173) 12.269 22.622 ( -1.218 -11.869 3.367) 12.397 22.930 ( 1.368 4.186 -2.393) 5.012 22.982 ( 1.159 -2.734 -0.780) 3.070 27.991 ( -1.083 10.557 1.742) 10.754 28.115 ( -1.682 -6.792 -0.897) 7.055 28.171 ( -4.322 -19.710 -4.248) 20.621 28.674 ( 14.017 11.820 2.650) 18.525 30.903 ( -4.119 -1.856 2.809) 5.320 30.912 ( -1.734 -2.052 1.217) 2.949 31.155 ( 0.037 0.080 -0.879) 0.883 31.250 ( -0.356 -0.366 0.448) 0.679 31.330 ( -0.540 -0.152 -1.922) 2.003 31.374 ( -0.554 1.672 4.895) 5.202 31.595 ( -4.064 -0.960 -12.671) 13.342 32.408 ( 13.379 8.696 -7.008) 17.428 32.970 ( -1.013 2.548 0.759) 2.845 33.180 ( -1.204 0.314 -0.073) 1.246 33.285 ( 3.089 -4.620 -1.070) 5.660 33.449 ( -0.258 2.880 -1.190) 3.126 35.376 ( -2.676 -0.202 2.865) 3.926 35.514 ( -1.749 0.307 1.749) 2.492 35.614 ( -2.241 0.042 3.031) 3.770 35.899 ( 1.943 -1.239 -2.105) 3.121 36.119 ( -1.363 -2.474 4.389) 5.220 36.212 ( -7.496 1.616 10.354) 12.884 37.319 ( -1.291 -13.295 -7.168) 15.159 37.710 ( 6.676 12.919 -1.139) 14.587======================= Grid point 74 (27/114) =======================q-point: (-0.38 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( -24.221 13.338 -4.935) 28.087 1.735 ( -11.165 21.672 -3.601) 24.643 2.388 ( -4.077 3.673 1.368) 5.655 2.453 ( 6.251 5.047 4.924) 9.423 2.672 ( 9.017 10.256 -0.123) 13.657 2.740 ( -5.397 3.779 -1.120) 6.683 2.888 ( -5.899 17.677 -2.788) 18.843 3.157 ( -4.306 4.407 -10.835) 12.464 3.190 ( -1.474 4.150 1.655) 4.705 3.365 ( -3.423 0.753 -2.787) 4.478 3.483 ( 0.765 -0.739 3.957) 4.097 3.543 ( 5.069 -2.890 -3.420) 6.763 3.708 ( 5.016 -4.120 -2.306) 6.888 3.873 ( 3.685 -2.000 -0.327) 4.206 4.049 ( 4.827 -2.648 0.331) 5.515 4.308 ( -2.457 -2.852 1.992) 4.259 4.445 ( 1.493 -3.391 3.622) 5.181 4.656 ( 1.982 -8.890 2.280) 9.389 4.685 ( 8.433 -5.399 3.712) 10.679 4.842 ( 4.627 -3.448 1.868) 6.065 5.056 ( 2.725 -1.705 -9.323) 9.862 5.157 ( 2.519 -1.639 2.789) 4.100 5.384 ( -4.768 -0.392 -6.738) 8.264 5.450 ( -1.560 -2.954 2.193) 3.996 5.628 ( 3.205 7.470 6.313) 10.292 5.754 ( -4.916 -1.293 -2.579) 5.700 5.824 ( -4.045 3.226 1.946) 5.527 6.035 ( 0.426 3.096 -2.238) 3.844 6.080 ( -0.211 -3.820 1.579) 4.139 6.373 ( 7.030 -2.087 3.993) 8.350 7.784 ( -9.989 -1.444 -4.436) 11.024 7.878 ( 1.745 0.034 3.366) 3.791 8.020 ( -2.027 -1.159 -0.667) 2.429 8.359 ( 3.636 1.962 1.177) 4.296 8.856 ( -2.185 -0.112 -1.376) 2.585 8.942 ( -0.721 -2.511 -2.407) 3.553 9.053 ( 0.575 -0.695 5.224) 5.302 9.169 ( 1.395 -2.002 -1.308) 2.768 9.244 ( -4.053 2.285 0.393) 4.669 9.400 ( 2.243 -3.134 -0.976) 3.976 9.649 ( 2.260 0.855 -0.840) 2.558 9.895 ( 1.133 4.585 -2.805) 5.493 9.951 ( 1.184 -8.874 5.878) 10.710 10.042 ( -1.140 5.888 -0.461) 6.015 10.277 ( -3.203 -2.441 -0.119) 4.029 10.469 ( 1.063 -5.148 -2.324) 5.747 11.123 ( -4.571 -2.497 2.551) 5.800 11.331 ( -3.296 1.116 3.344) 4.826 11.359 ( 0.804 -0.917 1.579) 1.995 11.547 ( 2.393 0.687 -2.325) 3.407 11.632 ( -0.739 2.547 -1.934) 3.282 11.768 ( 0.362 7.539 -2.016) 7.812 12.263 ( 1.837 6.476 -0.702) 6.769 12.385 ( -2.830 -0.986 0.575) 3.051 12.431 ( -3.187 3.512 0.986) 4.843 12.528 ( 7.088 -5.062 -1.073) 8.775 12.748 ( -0.458 -7.110 -0.770) 7.166 12.849 ( 4.636 -9.369 1.386) 10.545 13.469 ( -1.662 0.486 3.042) 3.501 13.613 ( -0.797 8.111 -2.834) 8.629 13.749 ( 4.422 0.073 4.354) 6.207 13.885 ( -0.143 0.967 -5.733) 5.815 14.098 ( -9.808 -0.515 -3.373) 10.384 14.654 ( -1.959 1.156 -0.787) 2.407 15.123 ( -2.993 7.532 -0.473) 8.119 15.418 ( 9.190 -1.352 2.843) 9.715 15.505 ( 3.137 -3.338 -0.455) 4.603 15.578 ( 1.918 -2.032 3.804) 4.720 15.942 ( -5.542 8.970 0.640) 10.563 16.055 ( -8.245 7.437 -1.256) 11.174 16.270 ( 1.309 -6.159 -1.896) 6.576 16.957 ( 13.248 -3.687 0.959) 13.785 17.058 ( 2.082 0.752 0.065) 2.215 17.215 ( 2.259 1.738 -0.130) 2.853 17.277 ( -4.137 0.535 -1.960) 4.609 17.473 ( -0.253 0.469 0.643) 0.835 19.955 ( -3.219 9.379 0.333) 9.921 20.198 ( 4.701 1.284 -6.573) 8.182 20.435 ( -1.877 -4.039 3.124) 5.440 20.647 ( 1.681 -13.577 -2.163) 13.851 22.294 ( -1.918 14.301 3.740) 14.906 22.697 ( 1.640 12.600 -3.452) 13.167 22.854 ( 0.148 -9.152 4.828) 10.348 23.154 ( 1.633 -9.994 -1.697) 10.268 27.587 ( -2.137 21.977 -0.126) 22.081 28.276 ( 14.175 2.665 1.641) 14.517 28.557 ( -1.465 -21.982 0.981) 22.052 28.712 ( 3.434 -9.964 -2.839) 10.914 30.813 ( -3.316 6.491 -1.415) 7.425 30.951 ( -2.462 2.012 4.360) 5.396 31.059 ( 1.241 7.114 1.089) 7.303 31.155 ( -6.408 7.169 -5.729) 11.193 31.392 ( 0.275 -5.026 2.052) 5.436 31.449 ( -1.393 -8.846 1.381) 9.060 31.544 ( 0.213 -2.181 -9.726) 9.970 32.276 ( 9.217 10.035 -10.806) 17.390 32.848 ( -5.310 7.295 -1.684) 9.179 33.102 ( -1.570 9.351 -0.592) 9.500 33.300 ( -0.343 -3.110 1.492) 3.467 33.570 ( 4.227 -9.357 -2.575) 10.585 35.368 ( -2.725 0.510 2.620) 3.815 35.493 ( -1.369 1.586 1.554) 2.608 35.599 ( -1.796 1.448 2.211) 3.195 35.907 ( 0.157 -0.189 -2.366) 2.379 36.191 ( 0.285 -2.856 3.568) 4.579 36.224 ( -7.277 -2.039 13.207) 15.216 37.380 ( 4.414 7.229 5.235) 9.957 37.694 ( 1.205 -11.865 -9.356) 15.158======================= Grid point 75 (28/114) =======================q-point: (-0.25 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.181 ( -17.598 22.140 -3.400) 28.485 1.238 ( -17.868 21.619 12.251) 30.606 2.042 ( 0.079 46.842 9.091) 47.716 2.289 ( -12.639 2.818 0.949) 12.984 2.506 ( -2.577 9.106 -6.118) 11.269 2.585 ( 9.882 8.928 2.309) 13.516 2.734 ( -3.298 3.097 -3.410) 5.666 2.802 ( -2.240 -1.978 -2.144) 3.678 3.304 ( -1.690 1.665 0.886) 2.533 3.428 ( 1.719 -12.656 -1.183) 12.827 3.532 ( -0.330 -0.789 -0.974) 1.296 3.671 ( 7.203 -4.108 -0.166) 8.294 3.793 ( 1.865 -3.308 -3.304) 5.034 3.956 ( 2.316 -2.161 -0.492) 3.205 4.084 ( 1.813 -3.574 -1.988) 4.474 4.398 ( -0.175 -4.772 0.191) 4.779 4.523 ( -0.165 -1.064 4.435) 4.563 4.810 ( 2.792 -6.057 -4.007) 7.780 4.834 ( 6.258 -1.595 -5.533) 8.505 4.959 ( 1.112 -6.754 2.055) 7.147 5.143 ( 9.982 -0.940 1.882) 10.201 5.230 ( 0.751 -1.006 0.351) 1.303 5.250 ( -1.512 3.385 -0.553) 3.749 5.481 ( -2.799 2.850 0.042) 3.995 5.487 ( -0.160 4.280 3.839) 5.752 5.716 ( -9.360 -1.631 2.234) 9.760 5.827 ( 5.608 -0.715 0.796) 5.709 5.977 ( 1.505 2.102 -2.406) 3.532 6.159 ( -1.218 -4.588 0.150) 4.749 6.433 ( 3.442 1.655 1.565) 4.127 7.709 ( -8.909 -0.510 -1.709) 9.086 7.923 ( 3.100 -1.029 2.209) 3.943 8.044 ( -3.341 -4.034 1.731) 5.517 8.307 ( -2.199 3.923 -1.669) 4.797 8.835 ( 0.020 0.565 2.099) 2.174 8.985 ( -0.759 -3.497 -1.121) 3.750 9.056 ( 0.554 4.093 2.401) 4.777 9.177 ( -3.830 -1.531 -2.265) 4.705 9.234 ( -0.937 -1.982 4.339) 4.861 9.489 ( 5.793 -3.163 0.289) 6.606 9.651 ( 4.207 0.086 -2.529) 4.909 9.781 ( -2.015 6.621 -3.939) 7.963 9.955 ( -4.184 -0.702 0.714) 4.302 10.186 ( -1.297 -10.146 7.730) 12.821 10.272 ( -4.100 -1.861 -2.825) 5.315 10.623 ( 4.225 -9.753 -1.059) 10.682 11.162 ( -4.786 -4.938 1.771) 7.101 11.313 ( -0.511 0.692 3.735) 3.833 11.398 ( -1.815 -1.857 1.691) 3.099 11.525 ( 0.561 2.793 0.641) 2.920 11.564 ( 2.381 2.900 -3.786) 5.330 11.683 ( 1.531 3.766 2.497) 4.771 12.120 ( -1.078 7.007 0.708) 7.125 12.380 ( -2.514 -1.063 0.096) 2.731 12.421 ( -1.402 -2.107 0.342) 2.554 12.621 ( 3.641 -0.742 -3.178) 4.889 12.870 ( 0.294 -7.429 -2.857) 7.965 13.026 ( 4.294 -5.617 -0.454) 7.085 13.418 ( -3.547 4.690 4.131) 7.186 13.519 ( 0.733 0.430 -0.628) 1.056 13.782 ( 1.663 3.187 -0.827) 3.688 13.830 ( 5.425 5.186 1.412) 7.637 14.043 ( -8.238 -5.769 -4.044) 10.840 14.612 ( -0.924 0.761 -0.157) 1.207 14.969 ( -2.107 7.544 1.357) 7.949 15.403 ( 7.270 11.890 4.533) 14.655 15.468 ( -0.322 8.202 -4.821) 9.520 15.704 ( -1.434 -8.021 -8.233) 11.584 15.730 ( -0.506 10.539 3.010) 10.972 15.970 ( -3.479 -5.985 5.502) 8.843 16.427 ( 2.321 -8.053 -0.190) 8.383 17.004 ( 5.288 2.518 -1.257) 5.990 17.110 ( 7.694 2.109 0.046) 7.978 17.196 ( -0.271 3.626 -2.703) 4.531 17.211 ( 2.857 1.531 -0.776) 3.333 17.417 ( 2.332 5.979 -8.034) 10.282 19.783 ( -3.529 6.652 -0.926) 7.587 20.078 ( 3.790 7.865 -7.487) 11.501 20.611 ( -2.402 -12.590 2.680) 13.094 20.884 ( 1.114 -12.520 -1.316) 12.638 22.063 ( -1.586 12.849 8.006) 15.222 22.450 ( 1.583 13.648 -2.807) 14.023 23.038 ( 0.105 -7.765 3.407) 8.480 23.321 ( 2.372 -8.040 -2.079) 8.637 27.226 ( -0.804 17.081 0.171) 17.101 28.271 ( 34.599 18.567 -5.602) 39.664 28.876 ( -7.681 -20.652 -6.682) 23.025 29.006 ( -3.379 -21.037 -0.096) 21.307 30.569 ( -11.048 12.329 -9.126) 18.904 30.851 ( -1.185 8.185 3.485) 8.975 30.946 ( 0.723 7.193 -2.670) 7.706 30.962 ( -2.963 7.893 4.253) 9.443 31.475 ( 3.655 -0.058 -3.438) 5.019 31.559 ( 0.119 -6.720 0.328) 6.729 31.654 ( -1.712 -12.280 0.546) 12.411 32.070 ( 9.652 13.002 -16.823) 23.350 32.640 ( -5.468 9.661 -2.397) 11.357 32.885 ( -3.015 11.983 -0.575) 12.370 33.380 ( -0.029 -4.243 0.770) 4.312 33.738 ( 4.312 -7.191 -2.833) 8.850 35.349 ( -2.169 0.976 2.319) 3.322 35.463 ( -0.777 1.471 1.327) 2.128 35.566 ( -1.618 1.909 1.643) 2.994 35.894 ( -0.177 -0.406 -2.667) 2.703 36.249 ( 0.518 -0.123 4.663) 4.693 36.285 ( -6.118 -2.666 7.110) 9.751 37.387 ( -6.344 -5.113 21.521) 23.012 37.904 ( 4.382 -13.199 -8.093) 16.090======================= Grid point 76 (29/114) =======================q-point: (-0.12 0.00 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.706 ( -3.213 23.208 16.325) 28.556 0.846 ( -17.368 18.177 22.736) 33.896 1.266 ( -1.572 42.518 28.686) 51.314 2.110 ( -11.738 4.718 5.413) 13.760 2.401 ( 7.034 1.868 -2.508) 7.698 2.526 ( 8.539 10.481 7.832) 15.624 2.712 ( -3.044 -6.780 0.368) 7.441 2.969 ( -0.516 -14.614 -6.714) 16.090 3.293 ( 0.398 0.868 5.233) 5.320 3.511 ( 0.775 1.739 -3.981) 4.413 3.594 ( 1.868 -3.178 -5.820) 6.889 3.724 ( 3.980 0.567 -5.132) 6.519 3.805 ( -1.112 0.644 -4.600) 4.776 3.944 ( -1.579 1.560 0.548) 2.287 4.184 ( 3.029 -5.019 -5.874) 8.299 4.455 ( -2.399 -3.629 -2.361) 4.950 4.535 ( -4.507 0.125 5.174) 6.863 4.740 ( 2.412 4.218 -6.337) 7.985 4.862 ( -0.196 2.459 -7.496) 7.891 5.013 ( 2.835 2.891 -9.535) 10.359 5.062 ( 5.263 4.699 3.631) 7.935 5.278 ( -8.099 -4.964 3.323) 10.064 5.361 ( -5.111 -0.579 -4.490) 6.828 5.463 ( 4.135 -7.911 11.043) 14.199 5.514 ( 2.051 -3.627 1.427) 4.404 5.747 ( -0.244 -4.045 5.164) 6.564 5.913 ( 9.734 0.522 6.248) 11.579 5.961 ( 0.301 -0.571 0.165) 0.666 6.229 ( -1.127 -4.614 0.045) 4.750 6.394 ( -0.593 4.082 0.318) 4.138 7.659 ( -3.508 0.375 0.812) 3.620 7.983 ( -1.391 -4.062 -0.927) 4.393 8.133 ( -9.342 -7.790 3.340) 12.614 8.176 ( -3.820 5.054 -4.201) 7.602 8.901 ( 3.217 -3.076 6.181) 7.617 8.987 ( 2.162 2.250 4.503) 5.479 9.032 ( -0.649 -1.375 1.412) 2.075 9.172 ( 0.205 -0.550 -1.799) 1.892 9.293 ( -1.307 -1.923 6.764) 7.152 9.600 ( 10.811 -0.085 2.078) 11.009 9.633 ( -0.061 3.383 -2.272) 4.075 9.697 ( 1.989 -3.038 0.478) 3.663 9.944 ( -9.512 -2.365 -0.421) 9.811 10.249 ( -5.490 -2.232 -4.593) 7.497 10.349 ( -2.302 -5.030 4.933) 7.412 10.822 ( 1.782 -10.175 -3.737) 10.985 11.245 ( -2.106 -5.147 0.722) 5.607 11.318 ( 1.374 5.246 -1.353) 5.589 11.375 ( -8.347 -3.983 2.136) 9.492 11.529 ( 0.847 -1.324 4.459) 4.727 11.538 ( 3.538 1.151 -0.302) 3.733 11.687 ( 4.306 -1.583 11.480) 12.363 12.068 ( 0.795 -0.335 3.172) 3.287 12.398 ( -2.445 -2.483 2.132) 4.085 12.450 ( -0.088 -1.249 0.197) 1.267 12.588 ( -0.503 2.181 -4.588) 5.105 12.966 ( 2.110 -4.703 -5.740) 7.715 13.074 ( 1.469 1.106 -3.932) 4.341 13.364 ( -3.627 0.850 6.623) 7.599 13.555 ( 1.932 -2.634 -1.169) 3.470 13.697 ( -1.324 3.320 -3.687) 5.135 13.749 ( 0.532 6.370 0.114) 6.394 14.187 ( 9.647 -8.706 8.760) 15.671 14.631 ( 0.284 -3.318 -0.091) 3.331 14.826 ( -1.934 8.748 2.767) 9.377 15.170 ( -1.304 12.632 -1.504) 12.788 15.344 ( 4.781 6.565 1.065) 8.191 15.538 ( -5.784 6.104 -1.529) 8.547 15.719 ( 12.870 11.826 -18.178) 25.218 16.120 ( -1.093 -4.228 2.499) 5.031 16.550 ( 1.047 -4.037 -0.964) 4.280 16.931 ( 17.172 33.848 -29.193) 47.883 16.999 ( 1.363 0.315 -1.166) 1.821 17.076 ( 3.687 3.162 -3.278) 5.860 17.154 ( 2.913 5.272 -0.907) 6.091 17.286 ( -4.027 1.474 5.323) 6.836 19.658 ( -1.587 4.227 -2.023) 4.948 19.963 ( -0.390 1.650 -4.626) 4.927 20.828 ( -1.796 -11.426 1.779) 11.702 21.073 ( -0.549 -8.623 -0.727) 8.671 21.959 ( -0.804 2.734 12.262) 12.588 22.232 ( 2.244 10.170 -2.072) 10.619 23.149 ( -2.618 -4.238 1.177) 5.119 23.430 ( 2.044 -3.292 -3.543) 5.250 26.985 ( -0.030 9.536 0.205) 9.539 27.807 ( 17.143 51.507 -47.959) 72.435 29.143 ( -3.561 -18.286 -0.700) 18.642 29.348 ( 0.260 -16.141 2.877) 16.397 30.279 ( 18.230 10.777 11.387) 24.045 30.705 ( 1.961 12.219 9.089) 15.354 30.838 ( 0.472 5.348 -0.031) 5.368 30.843 ( -0.093 3.879 -0.641) 3.933 31.451 ( 5.830 2.920 -2.910) 7.140 31.697 ( -3.045 1.490 -9.923) 10.486 31.753 ( 13.918 10.866 -1.793) 17.748 31.867 ( -1.224 -8.791 -2.210) 9.147 32.427 ( -2.654 9.078 1.321) 9.550 32.652 ( -1.277 11.053 0.635) 11.145 33.441 ( -0.622 -2.472 -0.123) 2.552 33.851 ( 3.780 -3.864 -2.861) 6.116 35.330 ( -1.364 0.896 2.278) 2.802 35.452 ( -0.290 0.011 1.001) 1.042 35.532 ( -1.592 1.329 1.199) 2.396 35.908 ( 0.029 -3.311 -1.982) 3.859 36.198 ( 0.583 8.062 0.315) 8.089 36.309 ( -3.208 -2.068 -0.895) 3.920 37.806 ( -24.559 -36.501 26.795) 51.511 38.132 ( 0.178 -14.533 0.273) 14.536======================= Grid point 78 (30/114) =======================q-point: ( 0.12 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.164 ( 19.084 -0.000 28.028) 33.909 1.181 ( 11.369 -0.000 25.918) 28.302 1.967 ( 25.769 -0.000 35.385) 43.774 2.259 ( 19.394 -0.000 -2.847) 19.601 2.463 ( -9.115 0.000 3.263) 9.681 2.772 ( 4.861 -0.000 9.373) 10.558 2.796 ( 1.068 -0.000 4.600) 4.722 3.048 ( -2.824 0.000 -5.860) 6.505 3.124 ( 2.714 -0.000 -24.305) 24.456 3.367 ( 1.760 -0.000 -9.458) 9.621 3.518 ( 7.330 -0.000 3.813) 8.262 3.566 ( -7.387 0.000 -8.361) 11.157 3.839 ( 0.332 -0.000 7.856) 7.863 3.937 ( -4.260 0.000 1.918) 4.672 4.040 ( -5.599 0.000 -8.720) 10.362 4.344 ( 1.253 -0.000 -1.656) 2.077 4.443 ( -12.996 0.000 3.657) 13.501 4.631 ( -1.292 0.000 -5.512) 5.661 4.833 ( -8.736 0.000 -2.188) 9.006 4.855 ( 1.784 -0.000 -4.493) 4.835 4.942 ( -0.162 0.000 -2.490) 2.495 5.174 ( -5.906 0.000 10.142) 11.736 5.351 ( -1.345 0.000 -8.439) 8.545 5.488 ( 3.611 -0.000 11.819) 12.359 5.723 ( -3.006 0.000 6.179) 6.872 5.937 ( -8.600 0.000 -4.545) 9.727 6.014 ( -3.973 0.000 4.404) 5.931 6.033 ( 5.246 -0.000 0.387) 5.260 6.182 ( -1.495 0.000 1.595) 2.186 6.369 ( 2.857 -0.000 -0.343) 2.878 7.800 ( -2.919 0.000 -1.220) 3.164 7.816 ( 7.299 -0.000 2.553) 7.732 8.046 ( 3.729 -0.000 2.036) 4.249 8.223 ( 2.127 -0.000 -2.731) 3.461 8.973 ( -3.330 0.000 3.091) 4.544 9.116 ( 6.232 -0.000 2.043) 6.558 9.122 ( -2.898 0.000 0.060) 2.899 9.257 ( 9.277 -0.000 2.537) 9.617 9.414 ( 0.051 -0.000 4.555) 4.555 9.472 ( -10.327 0.000 -0.798) 10.358 9.735 ( 3.004 -0.000 6.197) 6.887 9.738 ( -5.166 0.000 -10.162) 11.399 9.976 ( 7.976 -0.000 2.258) 8.289 10.081 ( -2.641 0.000 -8.119) 8.537 10.415 ( 0.719 -0.000 1.982) 2.108 10.779 ( 1.842 -0.000 -4.305) 4.683 11.112 ( -8.841 0.000 1.319) 8.939 11.249 ( -2.700 0.000 -3.938) 4.775 11.409 ( 3.715 -0.000 0.434) 3.741 11.579 ( 4.174 -0.000 0.815) 4.253 11.652 ( 4.343 -0.000 6.346) 7.690 11.889 ( 1.413 -0.000 -6.432) 6.585 12.372 ( 0.401 -0.000 11.734) 11.741 12.463 ( 1.250 -0.000 -0.096) 1.254 12.516 ( -0.587 0.000 4.277) 4.317 12.623 ( 4.963 -0.000 1.674) 5.238 12.923 ( -3.066 0.000 -5.850) 6.605 13.007 ( 6.896 -0.000 -12.111) 13.937 13.407 ( -5.079 0.000 4.071) 6.509 13.473 ( -3.917 0.000 -2.563) 4.681 13.599 ( -3.066 0.000 0.459) 3.100 13.720 ( 0.740 -0.000 2.286) 2.403 14.616 ( -0.231 0.000 -4.013) 4.020 14.642 ( 0.611 -0.000 -2.108) 2.195 14.855 ( -5.479 0.000 1.467) 5.672 15.011 ( 0.475 -0.000 -2.869) 2.908 15.195 ( 0.879 -0.000 2.842) 2.975 15.335 ( -0.536 0.000 0.437) 0.691 15.680 ( -11.137 0.000 -9.893) 14.896 16.004 ( 22.060 -0.000 -5.220) 22.669 16.607 ( -1.591 0.000 2.700) 3.134 16.644 ( -2.915 0.000 2.920) 4.126 16.940 ( -1.611 0.000 -1.004) 1.898 17.044 ( 0.527 -0.000 -2.592) 2.645 17.210 ( -6.895 0.000 2.235) 7.248 17.279 ( 5.667 -0.000 5.150) 7.657 19.676 ( 7.396 -0.000 0.729) 7.431 19.823 ( 0.705 -0.000 -7.887) 7.918 20.972 ( 0.762 -0.000 1.557) 1.733 21.083 ( -1.843 0.000 -0.248) 1.859 21.871 ( -8.256 0.000 3.809) 9.092 22.170 ( 2.932 -0.000 -0.730) 3.022 23.193 ( -0.152 0.000 1.501) 1.509 23.430 ( 1.237 -0.000 -1.829) 2.208 26.900 ( -0.127 0.000 0.136) 0.186 26.909 ( -0.136 0.000 -0.069) 0.152 29.482 ( 5.780 -0.000 3.567) 6.792 29.510 ( -0.476 0.000 0.363) 0.598 30.335 ( -10.571 0.000 0.602) 10.588 30.726 ( -4.133 0.000 -1.800) 4.508 30.737 ( -2.538 0.000 -2.956) 3.896 31.239 ( -1.338 0.000 -9.066) 9.164 31.303 ( -5.382 0.000 -1.111) 5.496 31.901 ( -2.611 0.000 1.208) 2.877 31.942 ( 5.197 -0.000 3.267) 6.139 32.134 ( 16.812 -0.000 -2.930) 17.065 32.586 ( 1.085 -0.000 2.126) 2.386 33.072 ( 78.549 -0.000 -35.319) 86.124 33.403 ( -3.595 0.000 -0.667) 3.656 33.912 ( 4.066 -0.000 -4.241) 5.875 35.333 ( -1.683 0.000 2.213) 2.780 35.478 ( -0.369 0.000 2.238) 2.268 35.515 ( -0.776 0.000 2.283) 2.411 35.925 ( -1.389 0.000 -4.135) 4.362 36.036 ( -0.868 0.000 -0.572) 1.039 36.180 ( -3.604 0.000 -4.831) 6.027 37.164 ( -67.039 0.000 29.226) 73.133 38.389 ( 14.507 -0.000 4.483) 15.184======================= Grid point 79 (31/114) =======================q-point: ( 0.25 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.445 ( 9.503 -4.153 22.648) 24.910 1.500 ( 16.735 -5.530 16.169) 23.919 2.301 ( 11.644 2.149 -4.644) 12.719 2.462 ( 9.212 -7.337 16.035) 19.895 2.480 ( 7.880 2.307 8.824) 12.053 2.621 ( 8.503 1.483 -11.509) 14.386 2.821 ( 3.467 -5.398 5.734) 8.604 3.100 ( 3.993 -5.487 1.985) 7.071 3.301 ( -3.603 -13.539 -10.535) 17.529 3.350 ( 0.331 -1.600 -6.507) 6.709 3.473 ( -4.779 -2.329 -6.027) 8.036 3.607 ( 6.291 -4.307 -3.268) 8.295 3.794 ( -4.227 5.303 -0.866) 6.837 3.839 ( -5.241 2.660 -3.837) 7.018 4.081 ( -1.315 -4.570 6.834) 8.325 4.302 ( -8.710 5.398 3.380) 10.790 4.347 ( -1.768 2.278 5.113) 5.870 4.597 ( -4.589 -1.451 -5.577) 7.366 4.678 ( -9.965 4.086 -3.988) 11.485 4.860 ( -0.008 2.267 1.411) 2.670 4.924 ( 0.539 -0.732 -0.489) 1.032 5.159 ( -3.756 1.115 -7.265) 8.254 5.327 ( 0.565 -1.359 4.244) 4.492 5.620 ( 3.348 -2.726 7.783) 8.900 5.710 ( -2.271 2.386 6.170) 6.994 5.811 ( -9.472 0.764 -5.479) 10.969 5.948 ( 1.044 4.286 -0.045) 4.412 6.099 ( 0.197 -1.987 2.932) 3.547 6.188 ( 0.217 1.892 1.260) 2.283 6.316 ( 1.672 6.992 -1.837) 7.421 7.797 ( 0.673 -0.520 0.996) 1.309 7.886 ( 3.900 -1.673 1.783) 4.603 8.096 ( 7.313 1.799 2.953) 8.090 8.213 ( 0.307 -0.263 -4.649) 4.666 8.896 ( -4.432 5.311 1.448) 7.067 9.044 ( -3.091 4.421 -3.207) 6.276 9.152 ( 4.763 2.247 2.245) 5.725 9.291 ( 3.209 3.270 0.627) 4.624 9.431 ( 0.247 0.419 3.375) 3.410 9.447 ( -8.824 -4.657 -1.641) 10.112 9.666 ( 3.339 1.596 -3.875) 5.359 9.842 ( 1.990 -4.718 8.273) 9.729 10.004 ( -1.181 0.272 -5.015) 5.160 10.057 ( 5.751 0.583 0.677) 5.820 10.396 ( 1.207 4.156 1.462) 4.568 10.726 ( 3.547 5.411 -0.544) 6.493 11.066 ( -6.942 -0.897 1.721) 7.208 11.213 ( -1.785 -1.051 -4.028) 4.529 11.400 ( 6.021 4.273 2.381) 7.758 11.620 ( 5.462 0.498 -0.154) 5.486 11.744 ( 1.115 -1.858 5.790) 6.182 11.871 ( 2.682 -1.790 -3.436) 4.712 12.302 ( -0.023 7.604 6.079) 9.736 12.483 ( 1.186 6.111 5.569) 8.353 12.505 ( 0.843 0.101 0.635) 1.060 12.609 ( -1.706 3.451 -2.224) 4.446 12.848 ( -1.656 1.764 -5.918) 6.393 12.939 ( 0.276 3.752 -9.251) 9.987 13.324 ( -2.772 1.576 1.277) 3.435 13.546 ( -2.795 -5.714 -0.016) 6.361 13.660 ( -0.709 -7.884 3.933) 8.839 13.718 ( -1.500 1.021 0.682) 1.938 14.539 ( -4.821 5.165 -5.336) 8.854 14.671 ( 5.785 0.056 -1.608) 6.005 14.901 ( -0.523 -7.312 6.915) 10.077 15.013 ( -5.676 -8.149 -3.760) 10.619 15.276 ( -2.246 -6.238 -1.711) 6.847 15.399 ( -12.946 -8.429 -4.844) 16.189 15.673 ( 8.242 -7.129 -2.693) 11.225 16.133 ( 9.363 0.143 -2.114) 9.599 16.522 ( -3.548 5.379 2.084) 6.773 16.636 ( -6.688 -0.461 -2.851) 7.284 16.941 ( 0.119 -1.418 -0.663) 1.570 17.067 ( 0.012 -3.577 -2.600) 4.422 17.225 ( -4.726 -4.866 0.642) 6.814 17.363 ( 3.993 -1.581 4.788) 6.432 19.753 ( 7.913 -1.058 0.828) 8.027 19.833 ( 2.549 -4.869 -7.520) 9.314 20.855 ( -0.351 11.303 2.550) 11.593 21.041 ( 0.474 5.579 -1.241) 5.735 21.931 ( -6.504 -10.082 3.812) 12.589 22.282 ( 2.550 -9.557 -0.907) 9.933 23.113 ( -0.843 8.362 2.757) 8.845 23.401 ( 1.549 3.639 -1.896) 4.386 26.997 ( 0.085 -10.829 0.864) 10.864 27.106 ( -3.592 -19.881 -5.035) 20.821 29.282 ( -2.177 18.815 -1.240) 18.981 29.466 ( 7.505 11.177 3.181) 13.834 30.433 ( -8.424 -15.724 1.378) 17.892 30.693 ( -5.072 -1.729 -1.837) 5.665 30.735 ( -3.379 -4.014 -2.956) 6.022 31.165 ( 0.821 0.054 -3.135) 3.241 31.308 ( -4.780 -3.722 -3.976) 7.246 31.791 ( -1.563 8.314 1.668) 8.622 31.908 ( 5.071 8.553 1.192) 10.014 32.320 ( 6.729 -8.840 -0.074) 11.110 32.693 ( 1.464 -8.828 0.953) 8.999 33.273 ( 51.241 12.443 -25.820) 58.713 33.355 ( -1.423 2.144 -1.163) 2.824 33.874 ( 4.064 4.941 -4.813) 8.006 35.337 ( -2.132 -0.777 2.009) 3.031 35.482 ( -1.235 0.267 2.804) 3.076 35.536 ( -1.229 -1.222 3.465) 3.874 35.858 ( 0.418 1.515 -1.955) 2.508 36.095 ( -2.943 -1.439 -2.038) 3.858 36.176 ( -0.951 -7.219 -3.580) 8.114 36.857 ( -44.345 0.641 23.167) 50.035 38.446 ( 12.795 8.758 4.401) 16.117======================= Grid point 80 (32/114) =======================q-point: ( 0.38 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.677 ( 4.797 -8.563 5.847) 11.425 1.808 ( 8.024 -10.206 10.941) 16.978 2.318 ( 5.779 -0.958 -8.073) 9.974 2.388 ( 7.865 2.606 0.623) 8.308 2.693 ( 9.671 -0.341 3.225) 10.200 2.792 ( 8.149 -3.219 4.319) 9.769 3.091 ( -1.020 4.043 -7.432) 8.522 3.137 ( 1.954 -15.252 -0.588) 15.388 3.255 ( -2.940 -0.780 0.612) 3.103 3.444 ( -3.095 0.758 2.746) 4.207 3.542 ( -0.511 -9.720 -1.792) 9.897 3.620 ( -0.495 -0.687 -15.216) 15.239 3.763 ( 0.698 0.347 -0.255) 0.820 3.792 ( 5.862 -3.854 0.720) 7.052 4.073 ( -10.750 3.833 3.986) 12.089 4.277 ( -1.521 -4.587 9.048) 10.258 4.344 ( 2.337 3.362 8.693) 9.609 4.509 ( -11.014 0.560 -4.285) 11.831 4.571 ( 0.095 1.957 -1.941) 2.757 4.831 ( 0.004 -0.999 1.009) 1.420 4.969 ( -0.198 -2.982 -0.321) 3.006 5.091 ( -0.551 0.831 -6.403) 6.480 5.303 ( -4.636 3.008 -2.351) 6.005 5.583 ( -3.928 6.770 2.846) 8.329 5.737 ( 1.557 -0.128 4.484) 4.748 5.763 ( -1.518 1.480 -1.476) 2.583 5.941 ( 4.326 -3.648 0.366) 5.671 6.102 ( -4.044 4.977 -1.553) 6.599 6.124 ( 3.147 3.960 0.412) 5.075 6.193 ( -2.180 3.332 2.924) 4.940 7.807 ( 0.579 0.527 -0.617) 0.997 7.940 ( 0.152 0.425 2.687) 2.724 8.094 ( 0.941 3.059 -4.173) 5.259 8.210 ( 5.326 -1.245 1.146) 5.588 8.820 ( -1.101 0.487 1.694) 2.078 8.923 ( -2.742 3.478 -4.640) 6.414 9.139 ( 2.143 2.919 2.061) 4.167 9.239 ( 2.252 4.522 0.463) 5.073 9.382 ( -5.806 2.283 -0.238) 6.243 9.445 ( -0.559 0.958 -1.412) 1.795 9.705 ( 6.562 -0.627 3.319) 7.380 9.925 ( -4.708 0.747 -7.346) 8.757 9.986 ( 4.099 -2.282 4.536) 6.525 10.082 ( 0.318 1.490 4.138) 4.410 10.315 ( 1.135 6.130 1.606) 6.438 10.663 ( 4.953 5.699 0.852) 7.599 11.068 ( -3.433 -2.142 1.953) 4.494 11.222 ( -0.697 -2.905 -1.756) 3.465 11.401 ( 6.961 3.103 3.519) 8.394 11.633 ( 5.430 2.399 -0.455) 5.954 11.755 ( -3.659 0.439 0.500) 3.719 11.981 ( 5.226 -5.424 1.724) 7.727 12.242 ( 0.854 1.392 1.987) 2.572 12.384 ( -0.855 6.783 -0.463) 6.853 12.442 ( -3.076 4.225 -0.310) 5.236 12.523 ( 1.038 3.788 -0.682) 3.987 12.796 ( -2.583 4.728 -5.408) 7.633 12.813 ( -3.460 -1.023 -1.646) 3.966 13.317 ( -0.567 -1.038 -0.896) 1.483 13.616 ( 1.428 -3.306 1.646) 3.960 13.685 ( -8.137 -3.012 -2.882) 9.143 13.859 ( 1.890 -7.088 6.553) 9.836 14.397 ( -6.040 -0.096 -7.985) 10.013 14.621 ( 7.477 10.573 1.062) 12.993 15.068 ( -3.382 -9.835 2.608) 10.723 15.154 ( -0.532 -5.272 1.232) 5.440 15.362 ( -4.329 -9.618 -1.233) 10.619 15.469 ( -9.653 -12.186 -4.237) 16.113 15.832 ( 9.984 0.526 -0.468) 10.009 16.199 ( 7.829 -3.081 2.734) 8.846 16.430 ( -3.234 1.539 2.412) 4.318 16.546 ( -10.315 -0.056 -7.303) 12.639 16.977 ( 1.283 -2.095 -0.827) 2.592 17.130 ( -1.121 -5.148 -1.916) 5.607 17.276 ( -1.098 -2.811 -0.325) 3.035 17.431 ( 1.067 -1.006 3.441) 3.741 19.838 ( 5.961 -2.475 0.055) 6.455 19.949 ( 3.555 -9.627 -6.306) 12.045 20.644 ( -1.324 13.185 2.982) 13.583 20.889 ( 1.140 10.285 -1.592) 10.470 22.134 ( -4.671 -14.412 3.253) 15.495 22.492 ( 1.971 -11.963 -1.472) 12.213 22.955 ( -1.858 9.682 3.524) 10.470 23.307 ( 1.983 7.275 -1.624) 7.713 27.283 ( 0.578 -19.421 2.696) 19.616 27.414 ( -5.291 -21.845 -6.936) 23.523 28.877 ( -2.837 22.506 -2.228) 22.794 29.285 ( 10.283 17.651 2.935) 20.638 30.674 ( -4.626 -12.634 2.555) 13.695 30.706 ( -5.732 -6.376 -1.279) 8.668 30.801 ( -4.418 -9.662 -3.519) 11.191 31.209 ( 1.240 -3.823 -0.447) 4.043 31.310 ( -2.445 -1.997 -2.699) 4.154 31.631 ( -1.813 8.700 0.315) 8.893 31.768 ( 2.797 10.344 -0.537) 10.729 32.505 ( 6.063 -6.408 -1.299) 8.917 32.897 ( 2.581 -11.721 -0.417) 12.009 33.202 ( 18.126 12.315 -7.232) 23.076 33.298 ( 8.442 5.993 -4.987) 11.491 33.751 ( 1.690 8.307 -4.020) 9.382 35.349 ( -2.294 -1.127 2.146) 3.337 35.490 ( -1.767 -0.831 2.297) 3.014 35.573 ( -2.237 -1.742 4.541) 5.353 35.857 ( 2.453 -0.710 -1.712) 3.075 36.073 ( -1.743 -0.332 -0.218) 1.788 36.259 ( -5.479 -2.257 4.732) 7.583 36.775 ( -21.021 -10.878 5.590) 24.320 38.323 ( 9.841 16.308 1.894) 19.141======================= Grid point 81 (33/114) =======================q-point: ( 0.50 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.896 ( -1.035 -5.920 -1.765) 6.264 2.084 ( 3.474 -11.295 6.634) 13.552 2.291 ( -1.073 -1.595 -4.575) 4.963 2.489 ( 11.462 -3.869 -4.464) 12.895 2.638 ( -3.509 11.195 -6.681) 13.501 2.806 ( 5.962 1.904 7.032) 9.414 3.052 ( -1.353 1.288 -7.879) 8.098 3.212 ( 2.408 -3.493 2.702) 5.030 3.316 ( -7.614 1.188 2.991) 8.266 3.408 ( -1.539 -0.213 4.328) 4.598 3.585 ( 6.070 -0.065 -10.520) 12.145 3.638 ( -0.098 -2.183 -0.271) 2.202 3.809 ( 1.491 -3.966 -1.578) 4.521 3.917 ( -1.413 5.919 4.667) 7.669 3.953 ( 7.146 -2.662 -3.005) 8.196 4.318 ( -11.844 0.384 1.946) 12.009 4.406 ( -2.069 -3.985 2.377) 5.080 4.467 ( 2.955 -2.594 -5.061) 6.409 4.533 ( 5.540 4.669 9.298) 11.788 4.885 ( -1.390 1.014 -3.220) 3.651 4.951 ( -2.234 -0.373 -5.526) 5.972 5.074 ( -0.859 -5.593 3.850) 6.845 5.236 ( -1.074 -0.126 -2.041) 2.310 5.459 ( -3.099 4.900 2.333) 6.250 5.696 ( 3.458 3.250 2.079) 5.181 5.780 ( 1.178 -1.177 -3.612) 3.977 5.930 ( -5.456 3.713 -0.899) 6.661 6.045 ( -1.451 3.581 3.914) 5.500 6.121 ( 3.170 -1.922 1.227) 3.905 6.201 ( 0.577 -4.369 1.893) 4.796 7.778 ( -2.330 1.330 -2.438) 3.625 7.896 ( -2.516 2.272 1.717) 3.800 8.006 ( -4.261 0.897 -4.593) 6.329 8.349 ( 11.694 -2.586 3.982) 12.621 8.825 ( -1.262 0.818 -1.591) 2.189 8.878 ( -0.389 -2.908 0.090) 2.936 9.118 ( 2.806 3.740 2.985) 5.547 9.179 ( 3.023 3.794 -1.017) 4.956 9.314 ( -4.373 -0.240 -0.016) 4.380 9.385 ( -2.090 4.236 0.234) 4.730 9.771 ( 4.046 0.708 1.900) 4.526 9.845 ( 0.785 1.735 -2.368) 3.039 9.966 ( -4.025 3.545 -3.800) 6.573 10.118 ( -3.165 -4.596 3.327) 6.497 10.238 ( 2.547 5.641 2.477) 6.666 10.579 ( 3.935 7.506 -2.072) 8.724 11.088 ( -2.995 -0.915 2.849) 4.234 11.277 ( 0.757 -2.942 0.845) 3.153 11.420 ( 4.032 2.154 3.145) 5.549 11.618 ( 5.599 3.657 -0.102) 6.689 11.703 ( -3.878 1.418 -1.019) 4.253 12.034 ( -1.513 3.970 -3.394) 5.438 12.281 ( 0.501 -3.372 -0.165) 3.413 12.320 ( 1.734 -2.145 0.005) 2.758 12.375 ( 1.395 2.216 0.885) 2.764 12.508 ( 1.721 -3.069 -0.408) 3.542 12.676 ( -3.333 2.623 -1.375) 4.458 12.778 ( -1.042 5.166 0.827) 5.335 13.356 ( 1.540 -4.006 1.086) 4.427 13.667 ( -12.241 -6.110 -5.147) 14.618 13.715 ( 3.581 -3.778 1.766) 5.497 13.903 ( -0.178 5.238 1.712) 5.514 14.376 ( 1.517 4.011 -6.179) 7.521 14.502 ( 0.372 -0.325 2.776) 2.819 15.186 ( -2.535 -5.540 -1.532) 6.282 15.244 ( -1.366 -5.102 4.684) 7.060 15.428 ( -2.209 0.030 -1.671) 2.770 15.600 ( -2.637 -8.202 0.082) 8.616 15.883 ( 8.910 0.023 2.773) 9.331 16.252 ( 0.303 2.311 1.868) 2.987 16.371 ( -11.027 4.038 -6.454) 13.400 16.595 ( 5.378 -13.283 1.312) 14.390 17.018 ( 1.228 -2.211 -1.796) 3.102 17.196 ( -2.432 -4.250 -0.759) 4.955 17.299 ( 1.972 0.668 0.364) 2.114 17.457 ( -1.342 -0.624 2.175) 2.631 19.945 ( 3.630 -6.015 -0.506) 7.044 20.138 ( 4.010 -10.994 -5.003) 12.727 20.413 ( -2.593 12.226 3.147) 12.889 20.700 ( 1.205 10.605 -1.842) 10.831 22.385 ( -2.701 -14.821 2.576) 15.284 22.672 ( 1.923 -2.748 -0.560) 3.401 22.815 ( -2.677 1.518 2.174) 3.768 23.156 ( 1.692 10.251 -1.496) 10.497 27.685 ( -0.840 -22.448 1.764) 22.533 27.733 ( -2.945 -22.328 -2.826) 22.698 28.434 ( -2.173 24.004 -1.567) 24.153 29.066 ( 11.428 16.883 1.005) 20.411 30.773 ( -3.762 -6.639 1.222) 7.728 30.823 ( -3.607 -6.721 0.138) 7.629 30.993 ( -2.756 -14.381 -1.891) 14.765 31.255 ( -0.956 -1.317 -1.121) 1.976 31.333 ( 1.351 -1.098 0.936) 1.976 31.464 ( -2.776 7.786 -0.575) 8.286 31.589 ( 0.138 9.424 -3.209) 9.956 32.595 ( 8.891 1.728 -5.183) 10.436 33.075 ( 5.876 6.590 -2.176) 9.093 33.129 ( 1.725 -8.831 1.641) 9.147 33.225 ( 5.560 3.699 -3.675) 7.623 33.571 ( -1.074 9.776 -2.524) 10.154 35.363 ( -2.351 -0.810 2.514) 3.536 35.504 ( -1.801 -0.877 1.821) 2.707 35.607 ( -2.888 -1.102 4.811) 5.718 35.883 ( 2.345 -0.963 -2.061) 3.267 36.088 ( -1.116 -1.854 2.356) 3.200 36.240 ( -8.146 1.588 9.616) 12.702 36.952 ( -5.434 -18.237 -4.297) 19.509 38.067 ( 6.861 19.005 -1.159) 20.239======================= Grid point 82 (34/114) =======================q-point: (-0.38 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.740 ( -8.343 12.063 -2.211) 14.833 2.074 ( -2.259 18.918 4.033) 19.475 2.368 ( 4.356 -1.697 -8.118) 9.368 2.494 ( -1.109 1.079 -0.692) 1.695 2.661 ( -0.387 -15.784 -2.218) 15.944 2.852 ( 5.009 2.920 -1.078) 5.897 2.963 ( 0.663 0.303 0.608) 0.949 3.167 ( -1.080 10.753 4.390) 11.665 3.358 ( -6.161 -6.236 2.199) 9.038 3.366 ( -1.887 1.906 -0.354) 2.706 3.534 ( 3.380 9.035 0.432) 9.656 3.624 ( -2.373 11.481 -0.777) 11.750 3.734 ( 4.220 2.906 -6.533) 8.303 3.874 ( 5.568 -1.248 -0.235) 5.711 4.057 ( 2.819 0.430 -1.508) 3.226 4.231 ( -3.926 -4.199 -1.335) 5.902 4.402 ( 4.186 -2.973 -4.683) 6.949 4.559 ( -2.252 -5.220 5.017) 7.582 4.628 ( 0.328 -2.717 5.610) 6.242 4.838 ( 1.594 -0.961 2.202) 2.884 4.978 ( 3.872 -3.843 -6.421) 8.426 5.191 ( 1.997 -1.048 3.731) 4.360 5.254 ( -1.302 -6.390 -6.439) 9.165 5.413 ( -1.907 -0.068 3.388) 3.888 5.692 ( -2.889 1.370 4.916) 5.864 5.770 ( 2.920 1.959 -3.946) 5.285 5.849 ( -3.576 1.353 0.815) 3.909 6.018 ( -3.885 -0.543 4.164) 5.720 6.103 ( 1.136 2.842 -2.057) 3.687 6.354 ( 3.288 -6.662 0.516) 7.447 7.708 ( -4.365 1.251 -1.576) 4.806 7.892 ( 0.121 -1.039 -0.404) 1.121 7.961 ( -2.960 -0.923 0.473) 3.137 8.445 ( 6.441 1.997 0.187) 6.746 8.818 ( -0.746 -1.717 0.364) 1.907 8.922 ( 0.857 -0.639 -0.240) 1.096 9.082 ( 0.131 2.138 2.622) 3.386 9.161 ( 2.623 0.352 -0.365) 2.671 9.277 ( -4.747 4.551 0.343) 6.585 9.333 ( -0.888 -3.463 -0.064) 3.575 9.745 ( 3.598 5.852 0.218) 6.873 9.858 ( -3.407 -3.007 -0.728) 4.602 9.890 ( 0.442 -2.552 -3.120) 4.055 10.154 ( 0.229 6.764 1.519) 6.936 10.206 ( -1.703 -5.286 1.548) 5.765 10.463 ( 2.929 5.296 -2.416) 6.517 11.085 ( -3.742 -0.022 3.189) 4.916 11.324 ( -0.104 -0.779 2.062) 2.207 11.408 ( 0.420 2.661 2.304) 3.544 11.597 ( 4.044 2.628 -0.082) 4.824 11.648 ( -1.212 1.590 -2.342) 3.079 11.881 ( -1.772 6.505 -2.815) 7.306 12.314 ( 0.222 -0.215 0.883) 0.935 12.346 ( -1.718 -1.144 -0.154) 2.070 12.448 ( 5.897 -4.069 -3.054) 7.788 12.597 ( 1.178 7.905 2.448) 8.359 12.645 ( -1.602 -3.614 -1.378) 4.187 12.703 ( 0.145 -7.773 0.980) 7.836 13.470 ( 2.574 -2.797 3.905) 5.449 13.672 ( -7.726 -7.007 -3.830) 11.111 13.763 ( -2.120 5.016 -1.105) 5.557 13.805 ( 3.789 0.740 0.731) 3.929 14.193 ( 0.766 10.986 -1.029) 11.061 14.602 ( -1.824 -5.028 -0.485) 5.371 15.226 ( -2.100 4.011 1.596) 4.800 15.302 ( 1.365 -6.596 -4.857) 8.305 15.461 ( 1.137 -5.538 5.403) 7.820 15.677 ( 1.164 -0.259 2.130) 2.441 15.956 ( 1.974 2.535 0.126) 3.215 16.180 ( -3.730 1.818 -0.209) 4.155 16.193 ( -4.742 5.215 -1.231) 7.156 16.891 ( 7.401 -12.930 -0.638) 14.912 17.049 ( 1.484 -1.383 -2.825) 3.478 17.227 ( -2.830 -1.856 -0.956) 3.517 17.283 ( 1.891 3.286 1.743) 4.173 17.464 ( -2.204 -0.542 1.165) 2.551 20.098 ( 2.528 -7.823 -1.865) 8.431 20.132 ( -0.886 10.589 -0.158) 10.627 20.414 ( 1.663 -11.970 -0.643) 12.102 20.518 ( 0.470 9.113 -2.142) 9.373 22.535 ( -1.424 10.928 2.834) 11.379 22.642 ( -1.078 -11.983 2.668) 12.323 22.929 ( 2.015 1.681 -2.258) 3.462 22.980 ( -0.264 -0.716 -0.810) 1.113 27.983 ( -0.806 22.517 -0.015) 22.531 28.041 ( -1.478 -19.081 -2.171) 19.261 28.156 ( -0.849 -24.035 3.526) 24.307 28.877 ( 9.835 12.944 -4.389) 16.838 30.836 ( -5.234 -1.114 0.669) 5.393 30.916 ( -0.141 -5.497 2.172) 5.912 31.147 ( 0.734 -1.559 -1.723) 2.437 31.254 ( -0.248 8.577 -0.567) 8.599 31.290 ( -0.466 -3.857 -1.398) 4.129 31.384 ( -1.129 -1.553 -0.070) 1.921 31.461 ( -0.784 1.444 -0.832) 1.841 32.504 ( 9.174 10.992 -9.061) 16.944 32.959 ( -2.076 7.905 1.937) 8.400 33.178 ( 2.240 -0.124 -1.996) 3.003 33.325 ( 1.799 2.142 0.562) 2.853 33.422 ( -0.525 -4.259 -1.826) 4.663 35.367 ( -2.417 -0.031 2.851) 3.738 35.509 ( -1.260 0.210 1.549) 2.008 35.617 ( -2.950 0.369 4.393) 5.304 35.894 ( 1.051 -0.140 -2.563) 2.774 36.140 ( -1.972 -3.223 3.069) 4.868 36.224 ( -6.555 -0.284 10.337) 12.244 37.245 ( 1.818 -18.113 -4.817) 18.831 37.776 ( 3.885 15.906 -2.973) 16.641======================= Grid point 83 (35/114) =======================q-point: (-0.25 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.439 ( -2.496 18.047 8.116) 19.944 1.678 ( -2.550 24.213 7.632) 25.516 2.275 ( -2.308 5.948 -5.151) 8.199 2.500 ( -5.622 -1.393 -6.553) 8.746 2.632 ( -0.238 5.197 -5.725) 7.736 2.783 ( 3.954 15.175 1.231) 15.729 2.958 ( -3.030 32.814 3.964) 33.191 3.021 ( 9.485 5.136 6.589) 12.640 3.209 ( 0.675 -9.429 4.887) 10.642 3.318 ( -0.273 -0.424 1.000) 1.120 3.477 ( -5.253 -5.238 -0.762) 7.458 3.627 ( 5.691 -5.335 -0.573) 7.821 3.739 ( 1.434 0.697 -1.538) 2.215 3.955 ( 8.042 -2.199 -1.266) 8.433 4.031 ( -3.852 -0.420 0.525) 3.910 4.286 ( -2.357 -5.084 -5.375) 7.765 4.533 ( 2.350 -1.014 0.506) 2.609 4.652 ( -1.620 -10.127 -0.711) 10.280 4.707 ( -1.030 -8.146 -3.322) 8.857 4.869 ( -1.384 -0.847 -3.821) 4.151 5.129 ( 5.280 -7.531 3.129) 9.715 5.228 ( 2.226 -1.211 2.647) 3.665 5.299 ( 4.908 -0.514 -3.426) 6.008 5.465 ( 0.729 -2.545 3.070) 4.054 5.633 ( -9.791 2.256 5.356) 11.386 5.659 ( -2.206 7.884 -3.674) 8.973 5.850 ( 2.121 -0.600 2.034) 3.000 6.017 ( 1.059 1.305 -2.912) 3.362 6.082 ( -1.157 -2.293 1.541) 2.995 6.446 ( -0.216 -2.509 -1.985) 3.207 7.670 ( -1.108 0.516 1.322) 1.800 7.888 ( -3.462 -1.931 -3.965) 5.607 8.006 ( 1.818 -1.483 4.979) 5.504 8.381 ( 0.302 6.215 -3.485) 7.131 8.857 ( 0.079 -1.287 2.940) 3.210 8.937 ( 1.594 -1.528 -1.114) 2.473 9.075 ( -2.443 -1.682 -1.110) 3.167 9.152 ( -1.566 3.212 0.801) 3.662 9.223 ( -0.171 -1.101 4.767) 4.896 9.415 ( 0.823 -6.231 0.012) 6.285 9.673 ( 1.849 2.400 -3.852) 4.900 9.848 ( -2.055 0.527 -4.431) 4.913 9.974 ( 2.959 0.325 -0.285) 2.991 10.065 ( -4.495 -1.014 6.193) 7.719 10.257 ( 0.994 0.103 1.826) 2.082 10.480 ( 2.515 -5.987 -1.315) 6.625 11.084 ( -3.371 -1.507 3.225) 4.903 11.321 ( -3.005 1.153 2.084) 3.834 11.382 ( -0.528 0.211 -0.244) 0.618 11.573 ( -0.396 1.934 -0.520) 2.042 11.610 ( 3.313 1.474 -1.016) 3.766 11.792 ( 2.441 4.329 3.124) 5.871 12.291 ( 1.805 9.039 -0.658) 9.241 12.345 ( -0.907 -0.847 -0.648) 1.400 12.387 ( -3.226 1.326 1.154) 3.674 12.599 ( 3.707 -3.128 -3.392) 5.919 12.722 ( -1.366 -7.441 -1.500) 7.713 12.902 ( 1.235 -10.204 -0.480) 10.290 13.473 ( -3.152 3.083 2.440) 5.040 13.617 ( 2.816 7.529 0.741) 8.073 13.757 ( -3.230 -3.361 -5.470) 7.187 13.891 ( 6.617 -6.191 7.049) 11.481 14.019 ( -1.142 8.339 -0.037) 8.417 14.620 ( -0.705 0.518 -0.886) 1.245 15.105 ( 0.002 7.625 2.175) 7.929 15.447 ( 0.969 -9.562 -5.635) 11.141 15.577 ( -1.653 1.942 -2.155) 3.339 15.670 ( 2.250 2.609 3.547) 4.945 15.808 ( -2.133 4.025 2.433) 5.164 16.003 ( -3.275 11.078 1.460) 11.644 16.288 ( 1.753 -8.761 1.027) 8.994 17.045 ( -0.325 -0.648 -4.533) 4.590 17.130 ( 6.588 -5.476 -0.984) 8.623 17.193 ( -1.601 0.312 -3.846) 4.178 17.260 ( 1.845 2.364 3.590) 4.678 17.436 ( -2.738 1.892 -2.766) 4.327 19.912 ( -1.815 10.459 -0.771) 10.643 20.193 ( 5.575 3.460 -8.453) 10.700 20.431 ( -2.935 -4.860 3.011) 6.426 20.655 ( 1.796 -13.305 -1.101) 13.471 22.325 ( -1.550 13.061 6.232) 14.555 22.692 ( 2.151 12.469 -2.720) 12.942 22.880 ( -2.539 -9.588 2.224) 10.165 23.153 ( 1.124 -10.612 -2.280) 10.912 27.569 ( -0.377 21.708 0.426) 21.716 28.411 ( 3.024 -20.825 1.319) 21.084 28.582 ( 1.212 -20.712 1.368) 20.792 28.662 ( 0.085 9.784 -16.134) 18.869 30.733 ( -0.919 9.119 1.322) 9.260 30.974 ( -0.896 2.860 2.285) 3.769 31.072 ( -0.205 8.779 -0.975) 8.836 31.100 ( 2.846 4.522 3.391) 6.328 31.396 ( -1.451 -6.464 -0.380) 6.636 31.450 ( -2.023 -6.036 2.721) 6.923 31.509 ( 5.797 -4.669 -2.736) 7.930 32.292 ( 7.846 12.383 -11.214) 18.457 32.792 ( -1.917 9.921 2.053) 10.311 33.080 ( -0.336 11.082 -0.795) 11.115 33.302 ( -1.372 -3.765 0.922) 4.112 33.600 ( 3.066 -9.861 -2.001) 10.519 35.360 ( -2.229 0.607 2.930) 3.731 35.495 ( -0.542 1.423 1.323) 2.017 35.599 ( -2.636 1.732 3.568) 4.762 35.879 ( 0.609 0.435 -3.148) 3.235 36.195 ( -3.065 -3.601 0.840) 4.802 36.264 ( -6.582 -2.226 11.986) 13.855 37.435 ( -2.266 2.913 1.142) 3.863 37.670 ( 5.933 -10.082 -4.782) 12.638======================= Grid point 84 (36/114) =======================q-point: (-0.12 0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.175 ( 2.910 19.611 19.241) 27.628 1.309 ( 4.463 24.630 13.752) 28.560 2.080 ( -1.039 20.775 3.258) 21.055 2.206 ( -1.617 16.782 5.929) 17.872 2.484 ( 1.612 3.747 -8.295) 9.243 2.622 ( 3.402 4.952 4.238) 7.352 2.762 ( 2.868 -2.766 1.676) 4.323 2.908 ( 7.976 15.299 11.917) 20.969 3.348 ( 2.372 -0.418 4.513) 5.115 3.490 ( 1.434 -6.948 3.254) 7.805 3.493 ( 0.684 -5.132 -4.237) 6.690 3.713 ( 2.374 -1.204 -3.335) 4.267 3.746 ( -2.603 -1.845 -4.709) 5.688 3.981 ( 0.293 1.672 2.829) 3.299 4.074 ( 2.607 -4.570 -5.461) 7.584 4.319 ( -4.892 -5.480 -7.377) 10.410 4.507 ( -8.948 -0.712 2.098) 9.218 4.750 ( 1.459 -3.938 -10.222) 11.051 4.802 ( -0.117 0.733 -3.634) 3.709 4.885 ( -4.198 -8.484 -5.020) 10.715 5.162 ( -1.486 1.920 -5.447) 5.964 5.239 ( -1.690 1.849 -2.276) 3.384 5.415 ( 0.163 8.832 1.748) 9.005 5.473 ( 7.641 -3.415 11.858) 14.514 5.495 ( -1.872 0.718 3.959) 4.438 5.662 ( -1.605 -6.985 3.800) 8.112 5.919 ( 0.456 -3.978 1.698) 4.349 6.000 ( 3.999 0.417 -0.210) 4.026 6.143 ( -0.521 -3.986 0.615) 4.067 6.419 ( -4.806 1.241 -3.233) 5.924 7.688 ( 4.303 0.637 3.892) 5.836 7.879 ( -4.777 -2.511 -2.610) 5.994 8.061 ( -1.284 -1.047 2.628) 3.107 8.239 ( 0.855 5.685 -4.039) 7.027 8.891 ( -1.842 -1.915 1.089) 2.872 8.987 ( 1.749 -2.845 0.288) 3.352 9.087 ( -2.696 -0.867 1.945) 3.435 9.121 ( 4.116 0.454 0.730) 4.205 9.288 ( -0.365 -2.166 6.771) 7.118 9.570 ( 2.004 -8.380 2.373) 8.937 9.647 ( -0.378 -0.558 -4.009) 4.065 9.759 ( 4.832 5.426 -2.641) 7.730 9.943 ( 0.152 3.089 1.720) 3.539 10.124 ( -7.223 -3.873 2.783) 8.656 10.291 ( 1.597 -2.535 1.359) 3.290 10.625 ( -0.177 -9.080 -3.225) 9.637 11.142 ( -0.329 -5.027 2.855) 5.790 11.277 ( -6.296 -0.064 -0.493) 6.315 11.362 ( -2.409 1.311 -2.818) 3.932 11.549 ( 2.815 0.990 -1.372) 3.285 11.638 ( 5.133 0.813 6.067) 7.989 11.759 ( 0.573 3.361 5.293) 6.296 12.136 ( 0.947 5.711 3.270) 6.649 12.364 ( -0.028 -1.633 0.420) 1.686 12.412 ( -0.074 -2.739 0.500) 2.786 12.619 ( 1.007 -0.206 -3.489) 3.637 12.848 ( 1.539 -6.929 -3.578) 7.948 13.034 ( -0.334 -4.800 -3.291) 5.830 13.389 ( -4.884 3.083 2.393) 6.252 13.561 ( 3.389 2.169 1.544) 4.310 13.715 ( -1.147 2.117 -2.841) 3.724 13.867 ( -2.293 7.497 -0.005) 7.840 14.161 ( 11.873 -9.643 10.517) 18.562 14.598 ( -0.374 -0.091 -1.148) 1.211 14.992 ( 0.607 8.140 4.115) 9.141 15.342 ( -5.531 11.211 -5.452) 13.638 15.539 ( -4.667 -1.216 -5.290) 7.158 15.591 ( 8.032 10.201 1.392) 13.058 15.751 ( -0.363 5.969 -0.739) 6.025 15.995 ( -1.312 -9.597 3.889) 10.438 16.449 ( 0.443 -7.116 0.561) 7.152 17.007 ( -1.517 1.122 -3.766) 4.212 17.073 ( -4.822 3.952 -5.325) 8.200 17.236 ( 5.381 1.716 -8.006) 9.798 17.255 ( 6.856 6.091 -6.494) 11.238 17.315 ( -4.808 3.191 2.912) 6.464 19.742 ( 0.110 6.988 -1.419) 7.132 20.037 ( 3.764 8.633 -9.752) 13.557 20.613 ( -1.859 -12.300 3.406) 12.898 20.885 ( 1.012 -11.801 -1.200) 11.905 22.138 ( -2.529 10.903 8.988) 14.355 22.458 ( 2.633 13.477 -1.649) 13.830 23.016 ( -4.792 -7.529 0.096) 8.925 23.315 ( 0.987 -8.057 -3.035) 8.666 27.226 ( 0.124 17.003 0.734) 17.019 28.163 ( -13.485 24.449 -33.506) 43.615 28.846 ( 9.333 -20.328 3.314) 22.613 29.003 ( -0.098 -22.859 1.723) 22.924 30.609 ( 8.653 8.558 5.551) 13.377 30.870 ( -1.903 6.017 0.941) 6.380 30.930 ( -1.500 7.189 0.640) 7.371 31.054 ( 5.565 7.729 9.061) 13.146 31.493 ( -0.399 -4.996 -3.240) 5.968 31.570 ( 7.674 -3.437 -1.074) 8.477 31.650 ( -0.803 -9.847 1.998) 10.080 32.115 ( 19.647 9.901 -13.099) 25.605 32.626 ( 3.424 10.004 3.188) 11.044 32.860 ( -0.723 12.398 0.517) 12.429 33.370 ( -1.708 -4.193 -0.141) 4.530 33.762 ( 2.745 -7.202 -2.428) 8.080 35.348 ( -1.796 0.812 2.843) 3.460 35.472 ( -0.117 1.421 1.317) 1.941 35.561 ( -2.193 2.214 2.684) 4.113 35.864 ( 0.559 -0.465 -2.879) 2.970 36.223 ( -4.598 -2.825 -1.592) 5.626 36.296 ( -4.095 1.428 7.091) 8.312 37.355 ( -21.765 -4.749 11.952) 25.280 37.954 ( 9.580 -13.272 -2.362) 16.538======================= Grid point 87 (37/114) =======================q-point: ( 0.25 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.602 ( 9.773 -0.000 18.055) 20.530 1.769 ( 18.580 -0.000 27.669) 33.329 2.291 ( -8.922 0.000 -6.508) 11.043 2.504 ( 17.544 -0.000 -7.595) 19.117 2.641 ( 19.979 -0.000 14.453) 24.659 2.758 ( -4.517 0.000 -10.904) 11.802 2.830 ( 4.574 -0.000 2.266) 5.104 2.968 ( 1.294 -0.000 -3.597) 3.822 3.058 ( 8.730 -0.000 -6.349) 10.795 3.339 ( -2.348 0.000 -3.701) 4.383 3.373 ( 0.135 -0.000 -7.050) 7.051 3.558 ( -0.781 0.000 -11.279) 11.306 3.750 ( -3.579 0.000 -2.431) 4.327 3.899 ( -3.622 0.000 4.824) 6.032 4.034 ( -4.974 0.000 4.899) 6.982 4.281 ( -12.768 0.000 6.127) 14.162 4.417 ( -3.663 0.000 10.499) 11.120 4.498 ( -4.978 0.000 -8.615) 9.950 4.652 ( -2.372 0.000 0.161) 2.378 4.893 ( 2.384 -0.000 4.697) 5.268 4.971 ( 1.676 -0.000 -1.631) 2.339 5.062 ( -5.930 0.000 -6.125) 8.526 5.354 ( -0.568 0.000 1.528) 1.630 5.654 ( 2.571 -0.000 2.629) 3.677 5.679 ( -10.512 0.000 -4.009) 11.251 5.768 ( -0.255 0.000 8.410) 8.414 5.960 ( -4.789 0.000 -2.172) 5.259 6.087 ( 0.273 -0.000 1.901) 1.921 6.264 ( 5.887 -0.000 2.491) 6.392 6.387 ( 0.869 -0.000 -1.720) 1.927 7.824 ( 4.183 -0.000 2.967) 5.128 7.907 ( 3.558 -0.000 2.691) 4.461 8.174 ( -0.755 0.000 -6.428) 6.472 8.201 ( 7.851 -0.000 3.609) 8.641 8.931 ( -4.803 0.000 1.588) 5.058 9.028 ( -7.638 0.000 -6.797) 10.224 9.209 ( -12.684 0.000 0.022) 12.684 9.242 ( 6.145 -0.000 1.868) 6.423 9.435 ( -1.464 0.000 -0.028) 1.464 9.448 ( 8.050 -0.000 1.366) 8.165 9.696 ( 5.797 -0.000 -0.375) 5.809 9.821 ( -3.833 0.000 3.603) 5.261 10.034 ( 8.810 -0.000 -0.260) 8.813 10.084 ( 3.210 -0.000 0.789) 3.306 10.461 ( 2.195 -0.000 1.763) 2.816 10.802 ( 3.689 -0.000 -0.378) 3.709 11.024 ( -6.142 0.000 3.939) 7.297 11.164 ( -1.438 0.000 -4.948) 5.153 11.481 ( 4.103 -0.000 0.803) 4.181 11.681 ( 3.795 -0.000 5.452) 6.643 11.796 ( 4.980 -0.000 6.632) 8.293 11.818 ( 0.043 -0.000 -6.918) 6.918 12.383 ( -5.344 0.000 -1.180) 5.473 12.452 ( -4.345 0.000 -1.202) 4.508 12.603 ( -3.757 0.000 -5.665) 6.798 12.633 ( 3.978 -0.000 10.036) 10.796 12.841 ( 0.637 -0.000 -4.674) 4.717 12.951 ( 4.529 -0.000 -13.818) 14.541 13.386 ( -2.324 0.000 2.550) 3.450 13.430 ( 0.995 -0.000 1.520) 1.817 13.557 ( -4.569 0.000 2.385) 5.154 13.745 ( -0.413 0.000 1.040) 1.119 14.538 ( -6.782 0.000 -4.597) 8.193 14.625 ( 0.562 -0.000 -2.283) 2.351 14.717 ( -8.931 0.000 -4.168) 9.856 14.986 ( 0.393 -0.000 -1.570) 1.618 15.085 ( -10.769 0.000 0.183) 10.770 15.322 ( -0.644 0.000 -0.836) 1.056 15.644 ( 11.061 -0.000 -1.292) 11.136 16.205 ( 10.533 -0.000 -0.904) 10.572 16.568 ( -5.469 0.000 0.169) 5.472 16.604 ( -5.820 0.000 2.205) 6.224 16.918 ( -0.103 0.000 -0.759) 0.766 17.025 ( -0.081 0.000 -1.206) 1.209 17.126 ( -5.285 0.000 0.238) 5.290 17.407 ( 3.433 -0.000 4.520) 5.676 19.770 ( 2.708 -0.000 -6.058) 6.636 19.826 ( 8.929 -0.000 2.266) 9.212 21.003 ( 0.863 -0.000 1.609) 1.826 21.064 ( -0.455 0.000 -0.146) 0.478 21.808 ( -5.354 0.000 2.732) 6.011 22.204 ( 2.465 -0.000 -0.740) 2.574 23.204 ( -0.903 0.000 1.640) 1.872 23.436 ( 1.804 -0.000 -1.355) 2.257 26.900 ( -0.101 0.000 0.130) 0.165 26.906 ( -0.132 0.000 -0.087) 0.158 29.482 ( -1.237 0.000 -2.520) 2.807 29.606 ( 5.185 -0.000 2.917) 5.949 30.191 ( -8.694 0.000 0.504) 8.709 30.637 ( -4.461 0.000 -1.463) 4.695 30.651 ( -3.847 0.000 -2.898) 4.817 31.137 ( -0.611 0.000 -5.240) 5.275 31.231 ( -2.126 0.000 -0.984) 2.343 31.873 ( -1.993 0.000 0.285) 2.013 32.049 ( 4.794 -0.000 1.876) 5.148 32.256 ( 4.101 -0.000 0.334) 4.114 32.617 ( 1.037 -0.000 0.203) 1.057 33.340 ( -4.759 0.000 1.372) 4.953 33.604 ( 42.576 -0.000 -31.602) 53.023 33.943 ( 12.826 -0.000 -12.016) 17.576 35.320 ( -2.396 0.000 1.237) 2.697 35.497 ( -1.693 0.000 4.034) 4.374 35.539 ( -0.419 0.000 3.254) 3.281 35.867 ( -0.320 0.000 -3.236) 3.252 36.022 ( -1.441 0.000 1.753) 2.269 36.086 ( -2.239 0.000 -3.521) 4.173 36.673 ( -42.040 0.000 26.618) 49.758 38.648 ( 10.831 -0.000 5.192) 12.011======================= Grid point 88 (38/114) =======================q-point: ( 0.38 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.783 ( 4.731 -3.090 14.851) 15.889 1.866 ( 9.554 12.984 10.229) 19.092 2.245 ( -2.898 -4.796 -7.947) 9.724 2.484 ( 4.762 0.630 0.539) 4.834 2.707 ( 14.607 -3.422 -11.816) 19.097 2.878 ( 1.188 -0.912 0.048) 1.498 2.993 ( 16.639 0.219 11.325) 20.128 3.074 ( -0.092 -14.053 -5.679) 15.157 3.148 ( 0.024 -5.591 -5.385) 7.763 3.311 ( -1.025 -2.323 -2.162) 3.335 3.377 ( -0.715 -4.577 -6.646) 8.101 3.525 ( 1.331 -3.764 -9.307) 10.128 3.768 ( 3.329 -2.786 1.228) 4.511 3.818 ( -3.985 5.106 1.721) 6.702 4.013 ( -12.298 -1.029 1.981) 12.499 4.236 ( -6.080 -1.146 6.797) 9.191 4.347 ( -16.541 0.015 0.898) 16.566 4.478 ( 3.980 1.293 -2.819) 5.046 4.664 ( 4.794 2.565 8.393) 10.000 4.884 ( 1.029 4.468 2.056) 5.025 4.940 ( -1.423 0.012 -0.624) 1.554 5.047 ( -0.302 -2.093 -3.913) 4.448 5.316 ( -3.423 2.625 -0.525) 4.345 5.590 ( -7.273 -3.238 -4.048) 8.931 5.739 ( 1.701 -1.961 1.701) 3.104 5.773 ( -2.003 4.141 6.323) 7.819 5.919 ( -0.123 -1.915 -2.533) 3.178 6.120 ( -0.681 -2.365 0.620) 2.538 6.230 ( 2.891 8.622 0.097) 9.094 6.323 ( 0.099 6.481 0.904) 6.545 7.852 ( 4.107 2.545 0.948) 4.923 7.968 ( 2.228 -0.492 4.021) 4.623 8.109 ( -1.960 2.739 -5.425) 6.386 8.266 ( 6.905 -0.507 2.310) 7.299 8.818 ( -5.901 2.760 -1.023) 6.594 8.963 ( -3.044 1.942 -2.133) 4.193 9.135 ( -8.815 -0.927 0.754) 8.895 9.278 ( 3.341 1.445 0.478) 3.671 9.431 ( -2.365 -0.836 0.422) 2.543 9.464 ( 5.639 4.193 -1.183) 7.126 9.752 ( 4.670 -0.460 0.451) 4.714 9.813 ( -2.497 -1.575 -1.938) 3.531 10.070 ( 2.879 2.006 3.239) 4.775 10.150 ( 7.936 0.060 1.205) 8.028 10.433 ( -0.282 5.175 2.617) 5.806 10.793 ( 3.948 3.829 0.603) 5.533 11.023 ( -3.448 -1.645 3.740) 5.346 11.150 ( -0.681 -2.355 -3.100) 3.952 11.503 ( 4.070 1.166 0.843) 4.317 11.710 ( 0.127 1.764 3.276) 3.722 11.777 ( 4.289 1.892 -1.452) 4.907 11.917 ( 3.310 -4.444 3.704) 6.665 12.303 ( -1.266 2.535 -0.368) 2.858 12.375 ( -10.552 1.891 -7.028) 12.818 12.535 ( -0.230 1.616 -1.324) 2.102 12.672 ( 5.520 5.463 7.925) 11.096 12.767 ( -0.108 4.300 -4.185) 6.001 12.809 ( -2.792 6.017 -11.567) 13.334 13.308 ( -0.625 1.884 0.599) 2.074 13.535 ( -2.048 -3.703 4.073) 5.873 13.694 ( 0.183 2.019 -1.356) 2.438 13.712 ( 1.329 -12.019 4.106) 12.771 14.344 ( -10.950 5.473 -7.077) 14.140 14.702 ( 2.724 -7.938 -2.916) 8.884 14.894 ( -3.391 -12.966 -4.185) 14.040 14.966 ( -0.692 -7.488 5.572) 9.360 15.146 ( -7.999 -9.239 -2.343) 12.443 15.264 ( -0.681 2.066 -0.900) 2.354 15.832 ( 12.605 -8.449 -0.637) 15.188 16.250 ( 5.783 1.617 0.840) 6.063 16.476 ( -5.314 4.147 -0.208) 6.744 16.503 ( -7.271 5.569 0.114) 9.159 16.935 ( 0.325 -2.117 -1.377) 2.547 17.049 ( 0.156 -3.130 -0.343) 3.153 17.164 ( -2.998 -6.361 -0.318) 7.039 17.451 ( 1.270 -0.169 3.330) 3.568 19.811 ( 3.458 -5.261 -4.280) 7.613 19.889 ( 6.880 1.119 1.840) 7.209 20.875 ( -0.630 11.606 2.260) 11.840 21.039 ( 0.984 5.582 -1.190) 5.792 21.883 ( -4.496 -10.503 2.399) 11.674 22.305 ( 1.903 -9.059 -1.234) 9.339 23.126 ( -1.409 7.937 2.461) 8.429 23.411 ( 1.841 3.665 -1.364) 4.322 27.009 ( -0.079 -12.063 1.113) 12.115 27.039 ( -1.051 -13.987 -1.706) 14.130 29.227 ( -1.336 19.718 -2.047) 19.869 29.603 ( 5.841 8.771 1.345) 10.624 30.317 ( -6.191 -17.361 -1.264) 18.475 30.612 ( -3.378 -1.930 -0.153) 3.893 30.648 ( -3.778 -3.777 -1.687) 5.602 31.142 ( 0.301 -2.998 -2.091) 3.668 31.243 ( -0.738 -2.617 -0.131) 2.723 31.778 ( -1.145 7.886 0.045) 7.969 31.978 ( 3.035 10.009 0.005) 10.459 32.383 ( 2.398 -8.641 -0.452) 8.979 32.717 ( 1.553 -9.426 -1.066) 9.613 33.294 ( -4.696 2.468 2.801) 5.999 33.619 ( 28.605 9.976 -22.443) 37.703 33.896 ( 11.989 8.042 -12.909) 19.366 35.320 ( -2.179 -1.186 1.295) 2.798 35.491 ( -2.131 1.038 3.481) 4.211 35.560 ( -1.847 -0.835 4.802) 5.213 35.856 ( 1.717 -0.523 -1.484) 2.329 36.055 ( -0.810 -0.431 -0.145) 0.929 36.134 ( -0.455 -9.048 -0.803) 9.095 36.536 ( -30.841 -2.033 20.365) 37.014 38.646 ( 7.153 10.440 2.536) 12.907======================= Grid point 89 (39/114) =======================q-point: ( 0.50 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.816 ( 4.743 -2.710 5.654) 7.861 1.950 ( -2.252 -6.081 5.870) 8.747 2.267 ( -0.799 -1.617 -4.902) 5.223 2.557 ( 12.885 0.933 -1.126) 12.967 2.753 ( 10.518 2.981 -10.042) 14.844 2.926 ( -2.922 4.240 -8.558) 9.988 3.003 ( 1.127 -1.733 3.612) 4.162 3.161 ( -0.795 -7.273 -0.160) 7.318 3.230 ( 0.739 1.082 3.450) 3.690 3.371 ( -5.240 -4.244 -4.854) 8.309 3.512 ( 5.209 -9.371 -0.401) 10.729 3.593 ( 5.084 -3.180 -2.683) 6.570 3.734 ( -0.666 -0.734 -3.035) 3.193 3.893 ( 5.306 -5.742 -4.031) 8.796 3.973 ( -8.079 -0.987 7.395) 10.997 4.212 ( -12.817 1.662 -1.076) 12.969 4.299 ( -5.081 -6.230 2.118) 8.313 4.457 ( 4.006 1.667 -4.804) 6.474 4.709 ( 3.399 0.674 7.036) 7.843 4.878 ( 0.063 -0.007 4.742) 4.742 4.913 ( 0.972 0.814 -2.236) 2.570 5.024 ( -3.869 1.564 -0.145) 4.175 5.262 ( -0.160 1.496 2.115) 2.596 5.562 ( -1.735 5.950 1.379) 6.349 5.677 ( -3.753 -2.295 -3.848) 5.845 5.789 ( 1.414 -1.066 -0.740) 1.919 6.013 ( 3.429 -1.385 0.309) 3.710 6.054 ( -0.881 5.136 -2.143) 5.635 6.150 ( -0.397 -0.471 -0.708) 0.939 6.191 ( -2.442 7.945 4.532) 9.467 7.814 ( 1.736 3.905 -1.238) 4.449 7.933 ( -3.569 3.904 -1.160) 5.415 8.009 ( -0.903 3.580 0.838) 3.786 8.396 ( 9.277 -3.952 2.226) 10.327 8.802 ( -2.664 -3.691 0.298) 4.561 8.872 ( -0.193 4.805 0.723) 4.863 9.138 ( -4.932 -4.352 1.228) 6.691 9.247 ( 1.063 3.725 0.080) 3.875 9.376 ( 2.827 7.783 0.081) 8.281 9.420 ( -2.623 1.345 -0.287) 2.962 9.736 ( -2.275 -0.986 -5.751) 6.263 9.861 ( 6.488 -0.384 0.593) 6.526 10.053 ( -4.990 0.201 1.422) 5.193 10.119 ( 4.293 9.389 -0.654) 10.344 10.357 ( 0.331 3.830 2.712) 4.705 10.725 ( 2.584 6.686 -1.822) 7.396 11.058 ( -2.063 -2.042 3.112) 4.256 11.209 ( 0.004 -4.840 0.762) 4.899 11.513 ( 3.816 1.701 0.453) 4.203 11.664 ( -4.667 1.585 0.443) 4.948 11.779 ( 8.484 4.629 1.297) 9.751 11.998 ( -1.919 -1.411 -3.993) 4.649 12.236 ( -4.691 -2.136 -3.543) 6.255 12.314 ( 4.104 0.602 2.083) 4.641 12.460 ( 2.137 6.435 -3.109) 7.459 12.572 ( 1.227 5.801 1.351) 6.081 12.654 ( -5.698 2.308 -4.544) 7.645 12.790 ( 0.007 -2.917 3.218) 4.343 13.316 ( 1.065 -2.748 0.696) 3.029 13.539 ( -6.091 1.950 0.432) 6.410 13.670 ( 0.585 -3.130 1.471) 3.508 13.995 ( 8.332 -3.805 5.710) 10.794 14.177 ( -9.747 -5.293 -9.404) 14.542 14.716 ( 4.689 9.491 -0.874) 10.622 15.023 ( -3.424 -10.305 0.364) 10.865 15.155 ( -4.134 -3.600 1.048) 5.581 15.274 ( -1.482 -15.228 0.051) 15.300 15.373 ( -1.263 -11.594 -0.137) 11.664 16.008 ( 11.918 0.113 0.886) 11.951 16.300 ( 0.527 0.476 -1.455) 1.619 16.332 ( -7.141 4.250 -2.124) 8.577 16.415 ( -2.539 -5.484 2.140) 6.412 16.973 ( 0.780 -2.621 -1.719) 3.230 17.117 ( 0.011 -3.691 0.249) 3.699 17.260 ( -0.394 -5.490 -0.101) 5.505 17.463 ( -0.914 0.686 2.017) 2.318 19.923 ( 4.057 -0.382 0.696) 4.134 19.955 ( 3.820 -9.460 -2.685) 10.550 20.651 ( -1.630 13.732 2.366) 14.030 20.886 ( 1.141 10.387 -2.027) 10.645 22.102 ( -3.406 -15.253 1.954) 15.750 22.502 ( 1.675 -11.826 -1.910) 12.096 22.961 ( -2.441 10.176 3.181) 10.937 23.318 ( 1.519 7.322 -1.556) 7.638 27.308 ( -0.735 -19.582 0.966) 19.620 27.329 ( -0.715 -20.285 -0.215) 20.298 28.833 ( -0.222 22.690 -0.632) 22.700 29.418 ( 5.265 15.387 -1.970) 16.382 30.605 ( -1.873 -16.473 -2.815) 16.816 30.664 ( -2.168 -6.798 3.060) 7.764 30.708 ( -3.420 -7.388 -0.717) 8.172 31.196 ( -0.509 -3.262 -0.370) 3.322 31.307 ( 0.748 -3.554 2.124) 4.207 31.612 ( -0.704 9.534 -0.315) 9.565 31.786 ( 1.305 12.262 -1.885) 12.474 32.540 ( 2.215 -7.512 -3.340) 8.514 32.923 ( 2.098 -12.324 -1.870) 12.641 33.214 ( -3.898 4.854 3.982) 7.390 33.473 ( 20.926 14.530 -16.159) 30.168 33.726 ( 2.986 10.221 -7.268) 12.893 35.340 ( -1.642 -1.462 2.096) 3.038 35.485 ( -2.334 -0.519 2.556) 3.500 35.591 ( -3.015 -1.267 5.464) 6.368 35.878 ( 2.273 -0.643 -1.204) 2.652 36.066 ( -0.463 -1.079 1.280) 1.737 36.240 ( -5.642 -1.313 6.658) 8.825 36.587 ( -11.546 -15.188 6.364) 20.112 38.433 ( 3.908 17.684 -1.948) 18.216======================= Grid point 90 (40/114) =======================q-point: (-0.38 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.914 ( 3.112 6.371 4.858) 8.595 2.174 ( -0.022 -21.443 2.911) 21.640 2.260 ( -0.405 -0.842 1.239) 1.552 2.557 ( 1.371 16.135 -1.985) 16.314 2.589 ( 7.171 4.478 -6.939) 10.937 2.892 ( 7.233 -3.387 -4.073) 8.966 2.973 ( -1.166 3.292 -4.390) 5.610 3.182 ( -9.081 -3.767 0.388) 9.839 3.296 ( 0.298 -2.524 -1.309) 2.859 3.411 ( -1.134 2.109 9.908) 10.194 3.622 ( -1.386 -1.293 -0.533) 1.969 3.660 ( 7.810 -1.577 -3.468) 8.690 3.792 ( -0.298 -2.925 -5.572) 6.300 3.868 ( 0.941 2.075 -7.482) 7.821 4.051 ( 4.066 -2.884 -2.824) 5.729 4.105 ( -8.929 -1.416 2.376) 9.348 4.361 ( -5.130 -4.362 -1.592) 6.920 4.445 ( 3.475 -1.253 -4.027) 5.464 4.714 ( -4.017 2.070 3.093) 5.476 4.902 ( 2.878 1.418 -0.774) 3.300 4.930 ( 6.500 0.741 9.119) 11.223 5.041 ( -3.646 -7.818 -0.636) 8.650 5.250 ( 0.787 1.571 0.973) 2.009 5.448 ( -2.106 3.483 3.120) 5.128 5.744 ( 3.528 -4.001 -3.017) 6.128 5.801 ( 2.323 0.959 -1.040) 2.720 5.834 ( -4.431 7.808 1.695) 9.137 6.067 ( -3.943 5.850 6.545) 9.623 6.125 ( 0.193 0.223 -3.691) 3.703 6.202 ( -1.112 -9.344 -2.866) 9.836 7.737 ( 0.215 4.076 0.018) 4.082 7.859 ( -1.832 0.749 -2.266) 3.008 7.989 ( 2.450 1.290 5.190) 5.882 8.490 ( 2.098 -0.895 -2.218) 3.181 8.828 ( 2.080 1.510 3.364) 4.233 8.872 ( -1.626 -4.041 0.420) 4.376 9.164 ( -2.717 4.239 -2.003) 5.419 9.199 ( 1.994 -0.262 0.595) 2.098 9.266 ( -1.254 2.787 0.392) 3.081 9.352 ( -0.833 3.638 1.576) 4.052 9.754 ( 1.186 -3.726 -3.486) 5.239 9.869 ( 1.977 4.267 0.773) 4.766 9.911 ( -2.391 6.942 -4.698) 8.717 10.086 ( -2.035 -4.397 0.779) 4.907 10.296 ( 0.143 5.973 2.005) 6.302 10.594 ( 2.276 7.138 -3.177) 8.138 11.082 ( -2.540 -0.260 3.555) 4.377 11.301 ( 0.278 -3.673 2.362) 4.376 11.482 ( 0.074 4.194 0.717) 4.255 11.621 ( -3.193 -0.177 -0.963) 3.340 11.724 ( 4.309 6.580 -1.334) 7.978 11.922 ( -0.145 2.338 -6.070) 6.506 12.280 ( -0.465 -2.947 0.022) 2.984 12.352 ( -0.455 1.747 1.524) 2.362 12.424 ( 2.713 -5.581 -2.702) 6.768 12.535 ( 2.723 1.092 0.340) 2.953 12.597 ( -4.090 -2.434 -0.850) 4.835 12.786 ( -0.004 6.381 1.914) 6.662 13.448 ( 4.028 -8.016 2.793) 9.396 13.487 ( -4.164 -1.266 1.732) 4.685 13.744 ( -0.452 -3.493 0.956) 3.649 13.923 ( -0.796 6.997 -2.101) 7.349 14.324 ( 4.691 -4.120 -4.638) 7.778 14.545 ( -1.464 6.412 4.004) 7.700 15.136 ( -0.831 -6.731 -2.636) 7.276 15.256 ( -2.348 -5.256 3.613) 6.796 15.411 ( -0.459 -2.609 0.180) 2.655 15.567 ( -0.378 -9.473 0.337) 9.487 16.098 ( 10.913 0.189 3.656) 11.511 16.134 ( -9.461 5.433 -4.034) 11.632 16.262 ( -0.918 3.586 1.706) 4.076 16.647 ( 0.342 -15.556 -2.397) 15.743 17.020 ( 2.433 -2.269 -1.017) 3.479 17.167 ( -1.345 -2.562 -0.582) 2.952 17.333 ( 1.368 -1.325 1.222) 2.263 17.446 ( -2.265 0.361 1.375) 2.674 19.991 ( 2.100 -4.748 0.423) 5.209 20.156 ( 3.854 -10.018 -2.814) 11.096 20.408 ( -2.317 12.228 2.723) 12.740 20.690 ( 0.988 10.865 -2.960) 11.305 22.366 ( -2.580 -15.495 1.099) 15.746 22.702 ( 2.947 -6.098 -1.441) 6.924 22.791 ( -3.931 4.373 3.033) 6.616 23.160 ( 1.065 10.413 -1.721) 10.607 27.668 ( 1.431 -20.752 0.358) 20.804 27.729 ( -2.039 -23.819 2.384) 24.025 28.418 ( 0.726 24.260 0.960) 24.290 29.145 ( 2.197 15.645 -6.886) 17.234 30.740 ( -1.841 -6.187 1.880) 6.723 30.809 ( 0.001 -7.051 1.939) 7.313 30.947 ( 0.096 -16.126 -1.619) 16.208 31.244 ( 1.202 -2.047 1.072) 2.605 31.370 ( -0.024 -0.271 2.792) 2.806 31.441 ( -0.098 8.337 0.760) 8.372 31.567 ( 0.561 10.749 -2.832) 11.130 32.606 ( 3.440 0.016 -9.134) 9.760 33.078 ( -1.989 2.550 0.015) 3.234 33.167 ( 1.803 -5.236 0.539) 5.564 33.302 ( 9.781 6.742 -7.250) 13.917 33.520 ( -1.280 10.246 -2.898) 10.725 35.362 ( -1.622 -0.656 2.924) 3.407 35.499 ( -1.640 -1.092 2.029) 2.828 35.615 ( -3.620 -0.786 5.352) 6.509 35.892 ( 1.929 0.052 -1.946) 2.741 36.095 ( -1.420 -1.795 2.108) 3.112 36.224 ( -8.333 0.379 9.459) 12.612 36.901 ( 2.027 -19.964 0.431) 20.071 38.096 ( 1.667 19.309 -5.605) 20.175======================= Grid point 91 (41/114) =======================q-point: (-0.25 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.823 ( 10.581 13.332 11.509) 20.547 2.088 ( -2.681 17.414 3.940) 18.055 2.392 ( 7.531 3.266 -4.520) 9.371 2.404 ( -4.021 5.315 -5.072) 8.375 2.670 ( 1.648 -14.981 3.143) 15.396 2.810 ( -1.514 8.043 -3.871) 9.053 3.072 ( 8.280 -7.711 -5.157) 12.434 3.199 ( -8.590 1.134 7.657) 11.564 3.273 ( 1.031 -3.955 -5.034) 6.484 3.385 ( 0.132 5.042 10.235) 11.410 3.491 ( -1.974 20.181 -2.494) 20.430 3.602 ( 0.088 -0.931 -2.394) 2.570 3.733 ( 1.504 -2.208 -6.819) 7.324 3.940 ( 3.543 -5.136 -6.206) 8.800 4.079 ( 3.873 2.824 7.993) 9.320 4.134 ( -3.121 -4.474 -5.816) 7.974 4.399 ( -12.556 -6.681 -3.978) 14.769 4.529 ( 6.746 -5.249 -0.398) 8.556 4.655 ( -2.609 1.753 0.179) 3.148 4.881 ( 4.449 3.205 4.005) 6.790 5.048 ( 1.247 -4.931 2.349) 5.603 5.187 ( -1.034 -10.657 -2.985) 11.116 5.249 ( 3.794 0.080 -1.377) 4.037 5.436 ( -1.061 -0.975 4.784) 4.996 5.693 ( -5.190 4.055 5.275) 8.439 5.727 ( 0.264 5.645 -3.979) 6.911 5.870 ( 4.463 -1.974 0.123) 4.882 5.999 ( -3.617 1.099 3.553) 5.188 6.087 ( -0.061 1.185 -1.957) 2.288 6.316 ( -4.315 -7.291 -5.004) 9.840 7.706 ( 3.350 1.366 2.180) 4.224 7.837 ( -0.573 0.055 -0.480) 0.749 8.038 ( 2.975 -0.212 4.746) 5.605 8.442 ( -3.470 2.824 -5.137) 6.812 8.851 ( 1.358 0.494 2.070) 2.525 8.909 ( -0.748 -1.811 -1.105) 2.249 9.053 ( -2.993 2.481 -1.773) 4.273 9.181 ( 0.692 1.229 -0.565) 1.519 9.267 ( 1.425 -0.497 3.608) 3.911 9.347 ( 1.357 -0.419 1.980) 2.437 9.709 ( -3.015 4.425 -6.213) 8.202 9.764 ( -4.283 -0.893 -1.802) 4.732 9.967 ( 7.490 -4.889 1.324) 9.041 10.137 ( -1.922 3.651 2.192) 4.672 10.207 ( -2.334 -2.400 -0.600) 3.401 10.509 ( 3.651 3.891 0.262) 5.342 11.078 ( -2.161 0.427 3.733) 4.334 11.340 ( -1.458 1.126 2.032) 2.743 11.399 ( -2.676 3.220 0.137) 4.189 11.583 ( -0.625 0.689 -1.830) 2.053 11.657 ( 2.172 2.305 -1.265) 3.410 11.883 ( 3.205 1.924 -0.224) 3.746 12.317 ( -0.687 -0.902 -1.575) 1.941 12.338 ( -0.003 -0.931 1.964) 2.173 12.486 ( 4.759 2.798 -3.702) 6.647 12.565 ( -4.731 -6.101 -1.093) 7.797 12.615 ( -1.732 7.684 -0.097) 7.877 12.711 ( 0.058 -9.639 0.038) 9.639 13.501 ( -3.043 0.230 2.502) 3.946 13.622 ( 2.037 -6.125 -1.203) 6.566 13.784 ( 1.540 5.878 0.899) 6.142 13.855 ( 3.967 -5.953 3.436) 7.936 14.200 ( 1.274 11.699 0.779) 11.794 14.591 ( 0.532 -3.467 -0.368) 3.527 15.218 ( -1.879 -0.560 1.029) 2.214 15.293 ( 3.449 -2.126 -1.456) 4.305 15.492 ( -3.220 -8.536 2.391) 9.431 15.624 ( -5.115 1.650 -4.123) 6.774 15.996 ( 0.905 4.100 2.059) 4.676 16.158 ( -3.547 7.584 0.371) 8.381 16.210 ( 8.386 -1.904 4.548) 9.728 16.863 ( -3.772 -11.785 -7.127) 14.279 17.094 ( 5.545 -3.608 -0.177) 6.618 17.170 ( -2.861 0.230 -2.310) 3.684 17.341 ( 1.861 2.105 3.529) 4.511 17.430 ( -2.834 0.612 -0.085) 2.901 20.093 ( -0.033 7.074 -1.770) 7.292 20.139 ( 1.614 -2.996 -0.382) 3.424 20.439 ( 1.400 -10.368 0.243) 10.465 20.492 ( 0.428 8.532 -3.013) 9.058 22.543 ( -1.716 5.174 2.706) 6.086 22.640 ( -2.759 -6.859 2.072) 7.678 22.941 ( 2.513 -5.083 -2.129) 6.057 22.961 ( -0.278 5.192 -1.215) 5.340 27.966 ( -0.497 17.030 -0.148) 17.038 28.079 ( 5.284 -17.912 2.857) 18.892 28.171 ( -2.600 -19.731 3.255) 20.166 28.813 ( -3.297 15.091 -14.138) 20.940 30.823 ( 0.411 -0.686 3.661) 3.747 30.939 ( -1.278 -5.294 2.659) 6.060 31.141 ( 1.497 -5.943 -1.485) 6.306 31.227 ( 0.036 6.873 -0.639) 6.903 31.325 ( 0.964 2.976 0.682) 3.202 31.418 ( -2.051 -0.028 4.627) 5.062 31.474 ( 8.497 -3.041 -0.405) 9.034 32.470 ( 3.610 9.508 -13.556) 16.947 32.957 ( -1.444 7.874 2.523) 8.394 33.195 ( 3.480 0.619 -3.130) 4.721 33.319 ( -3.178 8.836 0.272) 9.394 33.423 ( 2.526 -10.680 -0.838) 11.007 35.370 ( -1.842 0.235 3.261) 3.753 35.512 ( -0.828 -0.010 1.773) 1.957 35.620 ( -3.562 0.484 4.791) 5.989 35.883 ( 1.791 0.887 -2.910) 3.530 36.125 ( -2.711 -2.089 1.200) 3.627 36.232 ( -7.949 -2.017 10.494) 13.318 37.279 ( 6.120 -17.478 -0.672) 18.531 37.749 ( -0.025 14.856 -6.561) 16.240======================= Grid point 92 (42/114) =======================q-point: (-0.12 0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.674 ( 8.205 20.447 13.111) 25.638 1.830 ( 10.560 18.998 8.731) 23.424 2.230 ( -0.062 6.833 -1.745) 7.053 2.357 ( 1.685 3.224 -6.404) 7.365 2.558 ( -0.944 11.218 -4.735) 12.212 2.776 ( -0.995 3.309 4.227) 5.460 3.118 ( 7.882 11.882 -0.955) 14.291 3.214 ( 3.343 9.451 10.007) 14.164 3.300 ( -3.189 -4.596 -5.683) 7.974 3.312 ( 1.917 -7.728 7.338) 10.828 3.465 ( 6.434 -4.016 7.543) 10.697 3.651 ( 0.335 -4.726 -2.883) 5.546 3.711 ( -0.633 0.340 -3.958) 4.023 3.985 ( -2.774 -1.370 -2.142) 3.763 4.086 ( 3.878 3.266 3.881) 6.385 4.154 ( 0.691 -2.863 -5.532) 6.268 4.357 ( -15.570 -5.389 -3.261) 16.796 4.606 ( -3.166 -4.205 -5.306) 7.474 4.699 ( 0.715 -5.700 -0.168) 5.747 4.874 ( 1.976 4.356 2.268) 5.293 5.107 ( -0.988 -1.692 -4.862) 5.242 5.228 ( -3.397 -1.438 -3.293) 4.945 5.409 ( 4.184 -9.676 1.562) 10.657 5.508 ( -6.057 -0.622 -0.881) 6.152 5.571 ( 1.068 0.629 -0.801) 1.476 5.645 ( 2.476 5.497 9.554) 11.297 5.894 ( 2.396 1.190 1.859) 3.258 6.004 ( 2.327 -1.127 -4.182) 4.916 6.096 ( -1.379 -2.416 3.948) 4.830 6.327 ( -8.059 -2.749 -5.549) 10.164 7.755 ( 6.234 -0.468 3.119) 6.986 7.837 ( 1.199 0.363 0.834) 1.505 8.059 ( -1.787 0.844 1.370) 2.405 8.318 ( -1.487 4.288 -4.794) 6.602 8.832 ( -2.613 -0.365 -2.125) 3.388 8.952 ( 1.965 -2.484 -0.048) 3.167 9.029 ( -0.813 -1.638 -0.449) 1.883 9.166 ( 0.348 0.292 -1.575) 1.639 9.328 ( 2.644 0.642 8.333) 8.766 9.429 ( 1.056 -8.364 -0.075) 8.431 9.617 ( -0.565 0.861 -3.351) 3.506 9.778 ( -1.472 -3.910 -2.900) 5.086 10.012 ( -0.213 5.292 3.361) 6.273 10.108 ( 2.016 -0.535 5.220) 5.621 10.256 ( -2.175 -3.098 -2.035) 4.297 10.518 ( 2.127 -2.285 0.216) 3.129 11.097 ( -0.226 -1.940 3.127) 3.686 11.269 ( -3.685 3.489 -0.837) 5.143 11.348 ( -1.871 1.022 -0.624) 2.221 11.572 ( 1.839 0.845 -2.445) 3.174 11.686 ( 3.797 -2.485 5.464) 7.102 11.865 ( 1.383 3.898 2.927) 5.067 12.288 ( 0.535 5.999 -1.222) 6.146 12.347 ( -1.442 3.242 -0.224) 3.555 12.378 ( 1.865 -1.715 0.656) 2.617 12.558 ( -2.332 -1.974 -3.228) 4.445 12.704 ( 1.440 -8.984 -1.346) 9.198 12.874 ( -2.832 -9.059 -1.810) 9.662 13.432 ( -3.681 4.266 0.040) 5.635 13.636 ( 0.974 2.595 -4.173) 5.010 13.758 ( 2.309 1.199 6.221) 6.743 13.978 ( -1.339 6.451 1.241) 6.704 14.137 ( 9.041 -7.135 7.376) 13.677 14.596 ( -0.022 1.091 -3.964) 4.111 15.154 ( 0.564 6.208 3.736) 7.267 15.378 ( -4.105 -2.304 -3.491) 5.860 15.454 ( -1.632 4.652 -3.835) 6.246 15.652 ( -4.246 -9.535 0.394) 10.445 15.919 ( -2.266 11.945 1.041) 12.203 16.005 ( 8.191 5.972 3.443) 10.705 16.345 ( 2.210 -5.356 3.509) 6.774 16.917 ( -6.339 -4.433 -8.823) 11.733 17.081 ( -4.860 4.029 -2.712) 6.870 17.213 ( 6.145 -3.939 -3.726) 8.195 17.347 ( 0.022 3.035 0.381) 3.059 17.359 ( -1.291 2.929 2.369) 3.982 19.889 ( 0.645 10.049 -1.410) 10.168 20.175 ( 5.133 7.425 -9.383) 13.019 20.421 ( -3.307 -8.056 3.796) 9.500 20.675 ( 1.854 -12.239 -0.586) 12.393 22.371 ( -2.251 11.945 6.335) 13.707 22.692 ( 1.393 9.418 -2.839) 9.935 22.840 ( -4.022 -6.082 1.518) 7.448 23.144 ( 1.447 -10.365 -2.439) 10.746 27.586 ( 0.994 21.945 1.731) 22.035 28.258 ( -12.685 13.122 -15.397) 23.878 28.558 ( -1.817 -21.919 1.240) 22.029 28.628 ( 9.372 -16.547 -1.350) 19.064 30.794 ( 1.750 5.899 2.976) 6.835 30.948 ( -4.147 3.717 1.191) 5.695 31.066 ( -0.883 8.074 0.648) 8.148 31.220 ( 3.118 2.985 4.236) 6.048 31.358 ( -1.704 -5.215 -1.471) 5.680 31.449 ( -0.093 -8.093 1.166) 8.178 31.649 ( 10.636 -2.278 0.156) 10.879 32.291 ( 11.267 5.229 -10.729) 16.413 32.832 ( 3.294 7.914 2.742) 9.000 33.075 ( 1.230 11.674 -1.262) 11.806 33.278 ( -2.756 -3.892 0.600) 4.807 33.615 ( 1.494 -9.712 -1.694) 9.971 35.365 ( -1.867 0.728 3.237) 3.807 35.504 ( -0.473 1.265 1.531) 2.042 35.598 ( -2.949 1.808 3.958) 5.256 35.862 ( 1.888 0.938 -3.137) 3.779 36.138 ( -3.469 -1.956 -0.855) 4.073 36.279 ( -8.542 -2.825 11.175) 14.347 37.333 ( -8.687 9.198 -3.560) 13.144 37.766 ( 10.072 -14.747 -0.550) 17.867======================= Grid point 96 (43/114) =======================q-point: ( 0.38 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.825 ( 0.406 -0.000 5.967) 5.981 2.111 ( -2.911 0.000 -7.518) 8.062 2.246 ( 0.786 -0.000 6.391) 6.439 2.454 ( -1.182 0.000 3.338) 3.541 2.704 ( 12.884 -0.000 -12.376) 17.865 2.735 ( 2.855 -0.000 -4.759) 5.549 2.990 ( 5.255 -0.000 -1.518) 5.470 3.064 ( 0.625 -0.000 -9.363) 9.384 3.221 ( 16.705 -0.000 13.523) 21.493 3.250 ( 2.655 -0.000 -5.773) 6.355 3.362 ( 2.518 -0.000 -3.860) 4.608 3.448 ( 3.994 -0.000 -2.175) 4.548 3.758 ( 1.347 -0.000 0.592) 1.471 3.844 ( -5.298 0.000 -0.329) 5.309 3.924 ( -10.437 0.000 3.014) 10.863 4.211 ( -13.519 0.000 -2.607) 13.768 4.213 ( -7.949 0.000 6.054) 9.992 4.504 ( 1.993 -0.000 -0.614) 2.086 4.753 ( -0.143 0.000 3.328) 3.331 4.905 ( -3.203 0.000 -6.007) 6.808 4.996 ( 3.989 -0.000 7.269) 8.292 5.009 ( 2.353 -0.000 3.728) 4.409 5.321 ( -2.781 0.000 -0.046) 2.781 5.453 ( -6.964 0.000 -3.180) 7.656 5.745 ( 3.009 -0.000 -2.306) 3.791 5.808 ( -5.409 0.000 -3.594) 6.494 5.891 ( 0.796 -0.000 2.168) 2.309 6.083 ( -1.877 0.000 -0.264) 1.896 6.360 ( 2.735 -0.000 1.692) 3.217 6.373 ( -0.257 0.000 0.364) 0.445 7.948 ( 6.178 -0.000 0.623) 6.209 7.988 ( 1.535 -0.000 2.096) 2.597 8.105 ( -0.504 0.000 -0.653) 0.825 8.296 ( 1.861 -0.000 0.353) 1.894 8.805 ( -7.986 0.000 -2.670) 8.421 8.883 ( -3.356 0.000 1.222) 3.572 9.122 ( -3.338 0.000 1.202) 3.548 9.327 ( 3.450 -0.000 0.318) 3.465 9.383 ( -2.248 0.000 -0.975) 2.450 9.535 ( 4.477 -0.000 -2.908) 5.339 9.767 ( -2.111 0.000 -2.578) 3.332 9.802 ( 4.588 -0.000 0.329) 4.600 10.108 ( 0.241 -0.000 1.125) 1.151 10.236 ( 8.982 -0.000 4.737) 10.155 10.492 ( -2.354 0.000 1.621) 2.859 10.851 ( 2.139 -0.000 -0.140) 2.144 11.001 ( -4.099 0.000 4.617) 6.174 11.109 ( 1.145 -0.000 -3.721) 3.893 11.529 ( 1.559 -0.000 -1.192) 1.962 11.702 ( -1.867 0.000 -4.345) 4.730 11.850 ( 3.255 -0.000 7.854) 8.502 11.940 ( 3.482 -0.000 4.546) 5.726 12.283 ( -8.501 0.000 -6.728) 10.841 12.293 ( -2.308 0.000 -1.740) 2.890 12.480 ( -1.499 0.000 -0.588) 1.610 12.728 ( -4.121 0.000 -1.126) 4.272 12.871 ( 5.050 -0.000 0.292) 5.058 12.885 ( 9.386 -0.000 -9.357) 13.253 13.384 ( -0.640 0.000 -0.122) 0.652 13.519 ( 4.426 -0.000 2.695) 5.182 13.521 ( -4.155 0.000 3.874) 5.681 13.732 ( -1.512 0.000 0.864) 1.741 14.279 ( -10.938 0.000 -6.747) 12.852 14.617 ( 1.110 -0.000 -1.196) 1.632 14.635 ( 0.614 -0.000 -1.995) 2.088 14.984 ( -5.618 0.000 2.437) 6.124 14.991 ( 1.299 -0.000 -0.243) 1.322 15.303 ( -0.005 0.000 -1.481) 1.481 15.825 ( 10.973 -0.000 0.171) 10.974 16.319 ( 4.975 -0.000 -0.065) 4.976 16.465 ( -6.521 0.000 -0.707) 6.560 16.527 ( -5.867 0.000 0.547) 5.892 16.918 ( 0.913 -0.000 -0.491) 1.037 17.015 ( -0.192 0.000 -0.419) 0.461 17.071 ( -1.884 0.000 0.043) 1.884 17.471 ( -0.160 0.000 2.233) 2.239 19.773 ( 3.683 -0.000 -2.163) 4.271 19.962 ( 4.634 -0.000 2.334) 5.189 21.027 ( -0.002 0.000 1.224) 1.224 21.064 ( 0.200 -0.000 0.401) 0.448 21.763 ( -3.615 0.000 1.359) 3.862 22.222 ( 1.471 -0.000 -1.689) 2.240 23.202 ( -1.496 0.000 1.499) 2.118 23.448 ( 1.458 -0.000 -1.387) 2.012 26.900 ( -0.075 0.000 0.135) 0.155 26.904 ( 0.003 -0.000 -0.029) 0.029 29.451 ( 0.873 -0.000 -0.675) 1.103 29.681 ( 2.224 -0.000 -0.548) 2.291 30.086 ( -3.858 0.000 -1.834) 4.271 30.580 ( -2.435 0.000 1.198) 2.713 30.582 ( -1.844 0.000 -0.433) 1.894 31.110 ( 1.477 -0.000 -1.108) 1.846 31.217 ( -0.160 0.000 1.237) 1.248 31.846 ( -1.139 0.000 -0.846) 1.419 32.118 ( 2.480 -0.000 -0.016) 2.480 32.291 ( 1.127 -0.000 -0.855) 1.415 32.616 ( 0.646 -0.000 -2.769) 2.843 33.302 ( -3.993 0.000 4.234) 5.820 33.750 ( 14.462 -0.000 -14.736) 20.647 34.018 ( 24.976 -0.000 -28.687) 38.036 35.299 ( -1.772 0.000 1.119) 2.095 35.517 ( -1.785 0.000 3.981) 4.363 35.566 ( -1.505 0.000 3.796) 4.083 35.839 ( 0.960 -0.000 -3.290) 3.427 36.043 ( -2.263 0.000 7.626) 7.955 36.049 ( 0.174 -0.000 0.396) 0.432 36.421 ( -27.664 0.000 21.540) 35.061 38.793 ( 2.832 -0.000 0.761) 2.933======================= Grid point 97 (44/114) =======================q-point: (-0.50 -0.62 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.840 ( -6.077 -0.669 -2.263) 6.519 1.989 ( -3.909 9.316 3.597) 10.724 2.128 ( -1.081 -6.870 -7.488) 10.220 2.595 ( 3.784 -8.688 1.213) 9.553 2.667 ( 2.818 -1.744 -13.734) 14.128 2.919 ( 7.633 6.071 -3.863) 10.490 3.051 ( 0.569 -2.104 -6.572) 6.924 3.101 ( 4.727 -15.991 0.346) 16.678 3.204 ( 1.912 3.136 -6.416) 7.393 3.312 ( 1.837 3.752 2.065) 4.660 3.412 ( 5.950 -2.820 8.617) 10.845 3.558 ( 9.594 -4.852 -2.553) 11.050 3.766 ( -1.408 2.844 0.445) 3.204 3.820 ( 2.335 -3.485 -2.442) 4.853 3.899 ( -8.523 -2.393 9.961) 13.327 4.140 ( -7.851 -2.092 -0.288) 8.130 4.193 ( -7.608 -1.403 3.310) 8.415 4.501 ( 2.901 1.771 -0.887) 3.513 4.717 ( -3.702 0.596 -2.449) 4.479 4.840 ( -2.274 0.584 -5.519) 5.998 4.980 ( -3.223 3.153 4.286) 6.221 5.104 ( 5.655 0.836 8.819) 10.510 5.286 ( -0.928 0.973 1.903) 2.330 5.503 ( 1.031 -7.142 -0.697) 7.250 5.685 ( -4.301 4.833 -4.447) 7.850 5.756 ( -0.923 -1.040 -5.263) 5.444 5.915 ( -0.734 -2.914 -1.632) 3.420 6.089 ( -1.726 -2.289 -2.463) 3.779 6.265 ( 1.488 9.943 1.241) 10.130 6.348 ( -0.141 5.908 2.916) 6.590 7.914 ( 2.526 4.242 -1.287) 5.102 7.958 ( -4.737 3.453 -2.497) 6.372 8.099 ( 2.997 3.464 4.250) 6.248 8.360 ( 1.983 -4.893 -0.114) 5.281 8.752 ( -0.595 -0.223 2.267) 2.355 8.922 ( -1.229 -2.663 1.410) 3.254 9.061 ( -2.793 2.497 1.121) 3.910 9.321 ( 1.477 2.439 -0.407) 2.880 9.397 ( -0.931 -1.134 -0.399) 1.521 9.504 ( 2.001 4.081 -3.014) 5.454 9.713 ( -0.728 1.384 -4.071) 4.361 9.848 ( 1.080 -2.954 -2.282) 3.886 10.084 ( -0.953 3.832 2.050) 4.449 10.302 ( 7.495 4.263 1.036) 8.685 10.400 ( -7.380 4.034 0.839) 8.453 10.823 ( 0.473 4.071 -2.001) 4.561 11.017 ( -3.427 -2.401 3.347) 5.358 11.139 ( 2.060 -3.474 -0.482) 4.068 11.527 ( 0.431 -0.596 -2.516) 2.621 11.654 ( -2.732 1.158 -3.592) 4.659 11.903 ( 0.293 1.778 6.962) 7.191 11.963 ( -0.578 -1.002 -2.527) 2.779 12.184 ( 2.113 2.190 -0.850) 3.160 12.338 ( 0.722 -3.022 0.915) 3.239 12.516 ( 3.243 -0.314 0.307) 3.272 12.597 ( -5.924 6.047 -12.231) 14.874 12.790 ( 3.130 9.823 0.978) 10.355 12.843 ( 6.088 5.153 5.538) 9.710 13.313 ( 0.269 1.532 0.761) 1.731 13.526 ( -4.441 -1.136 2.309) 5.133 13.673 ( -0.996 0.407 -0.765) 1.320 13.800 ( 0.505 -14.755 1.048) 14.801 14.166 ( 1.380 4.637 -0.603) 4.875 14.708 ( 2.220 -9.999 -2.508) 10.545 14.828 ( -0.067 -12.690 -3.024) 13.045 14.993 ( -2.306 -6.787 3.208) 7.853 15.077 ( -0.993 -6.051 1.036) 6.219 15.264 ( 0.831 0.279 0.396) 0.962 15.993 ( 7.730 -9.156 -0.913) 12.018 16.301 ( -0.358 3.525 -1.822) 3.984 16.359 ( -4.235 5.226 0.087) 6.727 16.450 ( -2.583 4.263 1.172) 5.120 16.933 ( 1.487 -1.587 -0.655) 2.271 17.052 ( 0.059 -3.697 -0.345) 3.713 17.137 ( -0.577 -6.813 0.643) 6.867 17.470 ( -1.869 0.193 0.801) 2.042 19.841 ( 3.911 -5.154 -0.613) 6.499 19.976 ( 1.501 1.894 1.436) 2.811 20.884 ( -1.353 11.915 1.882) 12.138 21.042 ( 1.074 6.089 -1.007) 6.265 21.846 ( -3.157 -10.780 1.325) 11.311 22.308 ( 1.090 -9.021 -2.313) 9.377 23.124 ( -2.022 7.700 1.829) 8.168 23.416 ( 1.011 3.678 -1.828) 4.230 27.015 ( -0.630 -12.578 0.944) 12.629 27.026 ( 0.612 -12.916 -0.131) 12.931 29.223 ( 1.606 20.183 1.195) 20.282 29.640 ( 0.382 8.020 -3.735) 8.856 30.250 ( 0.058 -17.992 -0.927) 18.016 30.595 ( -0.793 -2.376 2.611) 3.618 30.611 ( -0.318 -3.278 1.268) 3.529 31.148 ( 1.845 -2.553 0.890) 3.273 31.257 ( 0.055 -3.189 2.262) 3.910 31.758 ( -0.631 7.345 -1.205) 7.470 31.997 ( 0.652 11.204 -1.678) 11.348 32.385 ( 0.346 -8.026 -2.847) 8.523 32.711 ( 0.620 -10.540 -2.866) 10.940 33.279 ( -2.815 2.604 5.014) 6.313 33.715 ( 12.183 6.432 -12.525) 18.619 33.914 ( 17.992 11.763 -26.943) 34.468 35.312 ( -1.011 -1.669 1.729) 2.607 35.494 ( -2.403 1.947 3.194) 4.446 35.579 ( -2.624 -0.727 4.245) 5.043 35.867 ( 2.199 -2.308 -2.278) 3.918 36.062 ( 0.296 -0.258 2.470) 2.501 36.165 ( 0.804 -7.590 5.073) 9.164 36.366 ( -21.423 -3.757 21.086) 30.293 38.692 ( -0.732 10.887 -3.520) 11.465======================= Grid point 98 (45/114) =======================q-point: (-0.38 -0.62 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.858 ( -6.533 -12.525 2.268) 14.308 1.981 ( -3.119 -3.200 7.945) 9.116 2.192 ( 0.929 -4.695 -7.849) 9.193 2.639 ( 1.983 0.638 -8.338) 8.594 2.799 ( -1.090 0.927 -4.084) 4.328 2.859 ( 8.170 -5.813 -4.770) 11.104 2.953 ( -3.378 3.728 -2.146) 5.470 3.110 ( 1.768 3.820 -8.784) 9.741 3.222 ( 1.631 0.496 -3.358) 3.766 3.407 ( 2.177 -8.131 6.765) 10.799 3.549 ( -0.208 -6.110 -1.019) 6.198 3.648 ( 6.242 0.068 -5.918) 8.602 3.756 ( 0.551 1.392 3.399) 3.714 3.864 ( 3.715 1.028 -4.961) 6.283 3.965 ( -3.217 -5.080 2.752) 6.612 4.122 ( -3.982 1.234 10.513) 11.310 4.202 ( -6.242 -4.530 -1.811) 7.923 4.488 ( 4.299 1.853 -1.052) 4.798 4.675 ( -5.995 -0.422 -1.119) 6.113 4.825 ( -0.197 -3.594 -2.821) 4.573 4.940 ( -2.865 -1.147 1.576) 3.465 5.165 ( 7.371 3.472 10.327) 13.154 5.273 ( -1.504 1.159 -0.046) 1.899 5.530 ( -2.757 6.038 -0.307) 6.645 5.652 ( 3.796 -6.513 -1.368) 7.662 5.747 ( -1.934 -2.145 -3.811) 4.782 5.977 ( -2.152 -7.458 -5.274) 9.384 6.063 ( 1.713 10.168 0.070) 10.312 6.104 ( -2.070 1.012 -1.962) 3.026 6.229 ( -0.822 8.722 5.075) 10.124 7.843 ( 1.389 5.218 0.112) 5.401 7.865 ( -1.100 1.621 -0.601) 2.049 8.083 ( 4.316 3.391 4.582) 7.150 8.416 ( -5.335 -3.052 -3.286) 6.970 8.806 ( 0.301 -2.818 2.100) 3.528 8.927 ( 3.517 3.536 4.887) 6.982 9.080 ( -1.687 -4.542 -0.346) 4.857 9.273 ( 0.786 3.699 0.787) 3.863 9.339 ( -3.110 4.800 -3.092) 6.502 9.430 ( 2.211 3.396 -0.472) 4.080 9.709 ( 3.403 -2.185 -2.679) 4.851 9.884 ( -3.353 -2.733 -4.863) 6.508 9.977 ( -1.432 6.752 0.056) 6.903 10.137 ( -0.864 9.958 -1.455) 10.101 10.368 ( -1.838 1.556 2.078) 3.181 10.697 ( -0.572 6.616 -4.680) 8.124 11.062 ( -2.417 -2.497 3.362) 4.836 11.239 ( 1.475 -4.868 2.583) 5.705 11.538 ( 2.454 0.312 -2.642) 3.619 11.579 ( -5.820 0.941 -0.616) 5.928 11.812 ( -5.625 4.077 -3.762) 7.901 11.988 ( 7.916 4.349 -1.900) 9.229 12.196 ( -0.259 -3.027 -1.675) 3.469 12.351 ( -2.295 2.234 -7.531) 8.183 12.386 ( -0.561 0.357 1.666) 1.794 12.558 ( 0.177 1.295 1.126) 1.725 12.674 ( 4.714 7.022 2.944) 8.955 12.866 ( 2.068 1.504 4.361) 5.055 13.368 ( 2.809 -4.223 3.060) 5.923 13.505 ( -1.683 0.408 2.133) 2.747 13.683 ( -0.021 -2.649 1.634) 3.113 13.904 ( -9.740 -2.972 -9.422) 13.874 14.257 ( 13.847 -5.258 8.206) 16.933 14.726 ( -0.578 8.620 -3.632) 9.372 14.982 ( -1.719 -8.462 -0.125) 8.636 15.126 ( -0.729 -8.313 2.325) 8.663 15.279 ( 0.664 -12.276 0.419) 12.301 15.401 ( 2.321 -10.434 2.843) 11.061 16.100 ( -7.249 3.839 -3.046) 8.751 16.210 ( 7.417 0.085 -1.825) 7.639 16.366 ( -5.499 -3.265 0.948) 6.465 16.378 ( 4.935 -1.697 1.711) 5.492 16.993 ( 3.074 -2.944 0.160) 4.260 17.106 ( -1.292 -2.876 -0.880) 3.273 17.270 ( 0.920 -6.514 1.260) 6.698 17.450 ( -2.386 0.449 0.388) 2.459 19.963 ( -0.326 -0.199 0.912) 0.989 19.997 ( 3.913 -9.015 -0.436) 9.837 20.647 ( -2.074 14.012 1.932) 14.296 20.880 ( 1.321 11.042 -2.278) 11.352 22.073 ( -2.757 -15.451 1.091) 15.733 22.498 ( 1.299 -12.300 -2.727) 12.665 22.953 ( -2.838 10.029 2.664) 10.758 23.314 ( 0.815 7.275 -2.208) 7.646 27.313 ( -2.077 -20.236 1.720) 20.415 27.344 ( 3.455 -20.060 1.271) 20.395 28.860 ( 2.038 23.133 2.361) 23.342 29.384 ( -2.273 15.468 -7.372) 17.285 30.589 ( 1.991 -15.685 1.027) 15.844 30.681 ( -1.143 -6.987 2.669) 7.566 30.719 ( 3.475 -7.391 2.993) 8.698 31.227 ( 2.993 -3.017 2.828) 5.105 31.334 ( -1.359 -3.726 2.758) 4.831 31.598 ( -0.300 8.890 -1.094) 8.962 31.769 ( 0.384 12.646 -3.139) 13.036 32.499 ( 0.274 -6.797 -7.393) 10.046 32.912 ( -0.235 -12.416 -2.540) 12.675 33.225 ( -1.134 4.662 4.610) 6.653 33.542 ( 13.875 15.082 -20.167) 28.753 33.669 ( 1.594 9.558 -7.961) 12.541 35.350 ( -0.829 -1.586 2.640) 3.189 35.478 ( -2.428 -0.550 2.724) 3.690 35.598 ( -3.015 -1.176 3.825) 5.010 35.899 ( 2.150 -0.422 -1.049) 2.430 36.084 ( -0.482 -0.288 3.688) 3.731 36.216 ( -8.941 0.306 8.853) 12.586 36.599 ( 0.343 -17.880 10.810) 20.896 38.389 ( -2.119 17.306 -7.875) 19.131======================= Grid point 99 (46/114) =======================q-point: (-0.25 -0.62 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.055 ( -1.494 -6.576 8.993) 11.240 2.143 ( -5.331 -5.225 3.722) 8.342 2.297 ( 3.962 -12.647 -1.112) 13.300 2.497 ( -0.276 5.387 -4.977) 7.340 2.649 ( -0.051 10.772 -1.298) 10.850 2.952 ( 6.920 -0.868 -1.705) 7.179 2.975 ( 1.742 -2.235 -2.945) 4.087 3.022 ( -3.901 0.128 -1.928) 4.353 3.269 ( 0.463 -5.714 -4.296) 7.164 3.574 ( 2.167 1.207 9.731) 10.042 3.584 ( -3.214 1.846 0.159) 3.710 3.632 ( -0.591 1.222 -7.160) 7.288 3.698 ( 0.360 4.341 -7.208) 8.422 3.732 ( 3.031 -3.931 -17.769) 18.450 4.050 ( -2.435 -3.914 0.702) 4.663 4.189 ( 0.905 -0.106 14.260) 14.289 4.211 ( -3.428 -2.580 -4.077) 5.919 4.491 ( 0.285 -0.879 0.074) 0.927 4.648 ( 0.123 -0.503 -1.377) 1.471 4.915 ( -2.629 -7.846 -3.210) 8.875 4.976 ( 1.759 -1.728 0.612) 2.541 5.164 ( 1.051 7.035 5.914) 9.250 5.272 ( 5.639 -0.928 2.413) 6.204 5.460 ( -1.615 1.716 3.540) 4.253 5.676 ( -5.299 0.403 -3.873) 6.576 5.814 ( 2.838 -3.859 0.015) 4.790 5.907 ( 4.014 7.779 3.747) 9.522 6.049 ( -0.699 -2.959 -5.578) 6.353 6.095 ( -2.291 5.788 5.331) 8.196 6.119 ( -3.471 -4.941 -2.799) 6.655 7.801 ( 5.722 3.222 2.483) 7.021 7.848 ( -0.097 0.186 1.401) 1.417 8.101 ( 4.123 1.838 4.264) 6.209 8.360 ( -10.283 -1.026 -5.796) 11.848 8.860 ( -0.379 -2.842 1.460) 3.218 8.933 ( 4.215 3.271 3.812) 6.557 9.076 ( -2.789 2.895 -2.485) 4.726 9.224 ( -0.014 3.640 -1.088) 3.799 9.247 ( -0.519 -0.967 0.391) 1.165 9.411 ( 3.252 1.684 -0.048) 3.662 9.713 ( -4.550 4.105 -1.155) 6.236 9.785 ( -0.861 4.708 -4.806) 6.782 9.949 ( 6.859 -3.059 -1.032) 7.581 10.059 ( -3.535 -3.576 -0.814) 5.093 10.281 ( -2.640 6.675 1.894) 7.424 10.583 ( 0.285 3.437 -3.149) 4.670 11.091 ( -1.650 -0.188 3.978) 4.311 11.337 ( -0.347 -2.577 3.326) 4.222 11.449 ( -4.275 4.645 0.305) 6.320 11.578 ( 1.028 -0.241 -1.976) 2.240 11.695 ( -2.949 2.634 -2.480) 4.668 11.915 ( 4.018 1.949 -8.168) 9.309 12.272 ( 0.424 -4.657 -0.562) 4.710 12.309 ( -1.356 -0.632 -2.338) 2.776 12.417 ( -2.002 -3.601 2.365) 4.751 12.559 ( -0.774 -2.319 0.032) 2.446 12.619 ( 5.389 5.536 2.064) 7.997 12.793 ( -0.873 8.682 0.042) 8.726 13.465 ( -0.864 -3.343 5.384) 6.396 13.567 ( 3.058 -3.229 -0.596) 4.487 13.787 ( 3.325 -6.338 2.838) 7.699 13.815 ( -3.950 -0.180 -5.857) 7.067 14.437 ( 5.996 8.611 2.500) 10.787 14.535 ( -1.661 -0.555 1.657) 2.411 15.109 ( 0.388 -7.305 -0.839) 7.363 15.268 ( -1.352 -5.941 3.212) 6.888 15.405 ( 1.037 -2.030 -1.027) 2.500 15.582 ( 0.582 -3.452 -0.151) 3.504 15.958 ( -7.045 -0.844 0.121) 7.096 16.228 ( 0.419 3.210 -0.332) 3.254 16.373 ( 9.405 2.342 4.307) 10.607 16.564 ( -2.257 -12.753 -4.836) 13.824 17.070 ( 2.266 -2.865 0.870) 3.755 17.130 ( -0.407 -1.723 -1.910) 2.604 17.367 ( 0.602 -2.403 1.598) 2.949 17.427 ( -1.813 0.818 1.230) 2.339 20.011 ( -0.692 -5.253 1.092) 5.410 20.183 ( 3.630 -6.883 -2.790) 8.267 20.408 ( -1.872 10.046 3.079) 10.673 20.669 ( 1.204 11.807 -3.500) 12.374 22.333 ( -2.803 -15.108 0.490) 15.374 22.718 ( 2.421 -11.685 -3.111) 12.332 22.777 ( -3.157 8.517 4.446) 10.113 23.153 ( 1.044 10.031 -2.095) 10.300 27.687 ( -3.691 -22.879 1.169) 23.204 27.775 ( 7.773 -21.376 3.496) 23.012 28.468 ( 2.289 24.323 3.133) 24.631 28.999 ( -6.087 18.044 -11.089) 22.037 30.774 ( 0.888 -6.239 4.132) 7.536 30.846 ( 0.556 -7.520 4.047) 8.558 30.964 ( 3.110 -12.363 -0.574) 12.761 31.306 ( 1.770 0.899 3.170) 3.740 31.377 ( -3.252 -0.773 2.610) 4.241 31.468 ( 1.536 5.307 0.503) 5.548 31.558 ( 4.823 7.144 -3.527) 9.313 32.501 ( 0.842 1.099 -15.042) 15.106 33.038 ( -2.602 -0.207 -1.011) 2.799 33.188 ( 1.285 -1.971 -1.920) 3.037 33.313 ( 0.984 3.983 -5.081) 6.531 33.496 ( 2.833 9.351 -2.480) 10.080 35.374 ( -1.592 -0.391 3.167) 3.566 35.500 ( -1.639 -1.521 2.392) 3.274 35.614 ( -3.011 -0.844 3.489) 4.686 35.903 ( 2.276 0.905 -1.721) 2.994 36.102 ( -1.600 -0.104 3.857) 4.177 36.199 ( -8.758 -0.649 9.845) 13.193 37.011 ( 7.547 -19.004 4.980) 21.045 37.999 ( -2.267 18.255 -10.069) 20.970======================= Grid point 100 (47/114) =======================q-point: (-0.12 0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.071 ( -0.252 10.249 3.738) 10.912 2.196 ( 12.155 6.779 8.193) 16.150 2.262 ( -5.204 0.389 -2.141) 5.640 2.474 ( 3.432 7.163 -2.602) 8.358 2.656 ( -6.619 -5.310 0.117) 8.486 2.836 ( 3.963 11.929 1.660) 12.679 3.017 ( -3.215 -10.979 -3.223) 11.886 3.142 ( 1.327 -4.996 -1.055) 5.276 3.292 ( 2.315 -0.705 -3.050) 3.893 3.496 ( -4.083 0.884 0.966) 4.288 3.511 ( 6.088 4.381 -3.213) 8.160 3.590 ( 3.507 0.922 2.027) 4.154 3.649 ( 2.447 -2.429 -3.366) 4.818 3.875 ( 0.340 -7.890 -7.248) 10.719 4.074 ( -9.352 -4.986 0.104) 10.599 4.191 ( -1.732 2.584 1.931) 3.661 4.256 ( 6.798 1.853 5.919) 9.202 4.505 ( -3.649 -1.697 -2.247) 4.609 4.663 ( 1.088 -0.784 -0.855) 1.590 4.976 ( -5.980 -6.425 -5.938) 10.597 5.018 ( 4.633 2.316 1.316) 5.344 5.113 ( -2.382 -1.590 -1.845) 3.407 5.324 ( 3.853 0.729 2.489) 4.644 5.479 ( -1.467 -1.193 5.453) 5.771 5.580 ( -5.212 2.662 -2.945) 6.551 5.801 ( 3.264 4.053 2.322) 5.698 5.945 ( 4.203 -1.220 0.520) 4.407 6.021 ( 1.685 3.221 3.833) 5.283 6.047 ( -3.371 -2.137 -1.796) 4.376 6.182 ( -4.500 -4.224 -1.437) 6.337 7.821 ( 4.344 1.384 1.793) 4.899 7.879 ( 5.176 -0.396 2.899) 5.946 8.078 ( -3.944 2.950 0.530) 4.954 8.278 ( -5.506 -0.826 -4.575) 7.206 8.876 ( 2.450 5.262 -0.217) 5.808 8.927 ( 0.226 -2.296 1.540) 2.774 9.009 ( -0.962 0.619 -0.920) 1.468 9.165 ( -0.388 1.487 -2.431) 2.876 9.317 ( 1.857 -4.985 -0.502) 5.344 9.390 ( 0.346 1.672 -0.947) 1.952 9.632 ( -0.271 0.195 1.586) 1.621 9.697 ( -1.806 1.215 0.759) 2.305 10.088 ( 5.073 -3.553 0.780) 6.242 10.125 ( -2.944 -5.593 -3.982) 7.470 10.172 ( 0.107 4.540 5.140) 6.859 10.521 ( -1.082 1.383 -2.421) 2.990 11.097 ( -1.007 0.229 3.436) 3.588 11.316 ( -2.580 3.869 0.634) 4.693 11.367 ( -1.978 1.883 1.199) 2.982 11.581 ( 1.135 0.943 -3.701) 3.985 11.674 ( 0.724 -3.250 3.060) 4.522 11.914 ( 2.761 -1.158 -2.482) 3.889 12.293 ( 1.009 0.113 -1.847) 2.107 12.341 ( -0.205 -2.000 -1.286) 2.387 12.486 ( -3.791 0.275 0.633) 3.853 12.532 ( 1.535 3.886 0.331) 4.191 12.598 ( 1.575 0.541 -0.948) 1.917 12.705 ( -1.018 -5.092 0.472) 5.214 13.472 ( -3.337 2.999 0.097) 4.488 13.637 ( 2.549 -1.680 -0.233) 3.062 13.782 ( -0.317 -1.813 0.389) 1.881 13.995 ( 5.291 -8.492 1.097) 10.065 14.221 ( -3.663 10.266 3.005) 11.307 14.597 ( 2.863 0.727 -1.922) 3.525 15.208 ( -1.012 -1.960 2.620) 3.425 15.371 ( 3.894 -0.375 2.474) 4.628 15.432 ( -4.469 -6.691 -1.376) 8.163 15.500 ( -2.773 4.151 -3.357) 6.016 16.047 ( -1.061 -1.453 2.899) 3.412 16.107 ( -1.041 4.319 0.453) 4.466 16.422 ( 9.547 3.750 4.162) 11.069 16.692 ( -5.092 -8.197 -7.917) 12.482 17.093 ( -2.989 1.195 -1.440) 3.526 17.175 ( 4.731 -3.211 -0.496) 5.739 17.370 ( -2.975 1.816 -1.222) 3.694 17.416 ( 0.988 0.945 3.811) 4.049 20.077 ( 0.773 9.891 -1.789) 10.081 20.153 ( 0.693 -6.821 -0.400) 6.868 20.432 ( -0.142 6.268 -2.446) 6.730 20.495 ( 1.959 -6.063 -0.132) 6.373 22.540 ( -2.107 -5.838 1.968) 6.512 22.618 ( -2.997 4.587 2.825) 6.165 22.939 ( 0.921 -7.483 -2.240) 7.865 22.966 ( 2.140 6.655 -1.175) 7.088 27.974 ( 0.170 7.829 1.649) 8.003 28.147 ( -2.921 -11.821 0.895) 12.209 28.220 ( 5.387 -7.243 2.184) 9.288 28.586 ( -2.460 10.874 -9.982) 14.964 30.886 ( 0.160 -0.166 4.766) 4.771 30.931 ( -2.559 -1.670 1.681) 3.488 31.157 ( 0.819 -4.865 -0.052) 4.934 31.238 ( 1.255 3.100 0.374) 3.366 31.332 ( -0.002 3.828 0.780) 3.906 31.379 ( -3.998 -0.073 0.761) 4.070 31.662 ( 9.569 -4.374 -2.184) 10.746 32.362 ( 5.473 3.153 -13.548) 14.949 32.967 ( -0.418 4.116 1.502) 4.402 33.204 ( 0.383 -1.060 -1.402) 1.798 33.274 ( -0.857 7.479 -0.959) 7.589 33.450 ( 1.483 -6.814 -0.540) 6.994 35.378 ( -2.086 0.318 3.271) 3.893 35.518 ( -1.370 -0.209 1.997) 2.431 35.617 ( -2.765 0.303 3.421) 4.409 35.887 ( 2.629 1.516 -2.490) 3.925 36.104 ( -2.291 0.222 2.659) 3.517 36.221 ( -8.653 -2.621 10.437) 13.808 37.365 ( 4.136 -6.353 -1.759) 7.782 37.671 ( 1.600 4.871 -6.027) 7.913======================= Grid point 105 (48/114) =======================q-point: (-0.50 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.757 ( -10.577 0.000 -3.728) 11.215 1.898 ( -18.771 0.000 -17.304) 25.530 2.011 ( 2.184 -0.000 -10.182) 10.414 2.586 ( 4.337 -0.000 -12.480) 13.212 2.727 ( 1.908 -0.000 -3.545) 4.026 2.841 ( 7.749 -0.000 9.303) 12.108 2.895 ( -8.273 0.000 -10.301) 13.212 3.055 ( 2.730 -0.000 -0.867) 2.864 3.292 ( 8.838 -0.000 -0.257) 8.841 3.433 ( 6.578 -0.000 4.665) 8.065 3.473 ( 1.181 -0.000 4.499) 4.651 3.583 ( 12.620 -0.000 0.437) 12.627 3.759 ( -1.006 0.000 -0.752) 1.256 3.759 ( -3.915 0.000 -2.141) 4.463 3.956 ( 1.104 -0.000 18.749) 18.781 4.068 ( -0.778 0.000 -1.010) 1.275 4.140 ( -9.151 0.000 4.338) 10.128 4.533 ( 1.503 -0.000 -1.118) 1.873 4.671 ( -4.807 0.000 -0.646) 4.850 4.807 ( -0.563 0.000 -4.169) 4.207 5.045 ( 0.537 -0.000 -1.445) 1.542 5.107 ( -5.109 0.000 3.575) 6.235 5.308 ( 0.169 -0.000 0.261) 0.311 5.494 ( 9.098 -0.000 8.111) 12.189 5.671 ( -2.904 0.000 -6.336) 6.970 5.676 ( -3.551 0.000 -9.205) 9.867 5.883 ( -0.949 0.000 -2.167) 2.365 6.038 ( -1.455 0.000 -2.518) 2.908 6.371 ( -1.993 0.000 -0.545) 2.066 6.411 ( 1.775 -0.000 2.651) 3.190 7.910 ( -5.213 0.000 -3.822) 6.463 7.946 ( -4.855 0.000 -3.536) 6.006 8.210 ( 6.157 -0.000 5.624) 8.339 8.315 ( 0.094 -0.000 0.760) 0.766 8.820 ( 7.304 -0.000 5.897) 9.387 8.854 ( -1.683 0.000 0.328) 1.715 9.093 ( -1.665 0.000 -0.040) 1.666 9.333 ( -0.505 0.000 -1.074) 1.187 9.399 ( 1.918 -0.000 -0.033) 1.918 9.512 ( -0.901 0.000 -6.834) 6.893 9.682 ( -2.991 0.000 -5.889) 6.605 9.802 ( -0.770 0.000 -2.362) 2.485 10.146 ( 0.350 -0.000 3.148) 3.167 10.327 ( -7.089 0.000 3.666) 7.981 10.445 ( 2.411 -0.000 -1.351) 2.764 10.848 ( -0.549 0.000 -2.155) 2.224 10.974 ( -4.811 0.000 2.738) 5.536 11.126 ( 4.528 -0.000 -1.007) 4.639 11.490 ( -1.709 0.000 -4.398) 4.718 11.628 ( -0.810 0.000 -4.595) 4.666 11.880 ( -6.530 0.000 -4.635) 8.008 11.980 ( -0.897 0.000 10.584) 10.622 12.298 ( 9.034 -0.000 4.844) 10.250 12.307 ( 3.991 -0.000 1.563) 4.286 12.537 ( -5.380 0.000 -14.511) 15.476 12.571 ( 5.074 -0.000 5.943) 7.814 12.930 ( 0.444 -0.000 1.571) 1.632 12.976 ( 7.992 -0.000 -2.570) 8.395 13.357 ( -1.242 0.000 -1.128) 1.678 13.500 ( -5.522 0.000 -2.986) 6.278 13.524 ( -1.839 0.000 4.209) 4.593 13.742 ( -1.166 0.000 0.100) 1.171 14.278 ( 13.752 -0.000 7.214) 15.530 14.633 ( 1.674 -0.000 0.106) 1.678 14.637 ( 1.456 -0.000 -1.243) 1.915 14.952 ( -1.912 0.000 2.162) 2.886 15.008 ( 0.773 -0.000 0.187) 0.795 15.289 ( 0.531 -0.000 -2.001) 2.070 15.919 ( 0.056 -0.000 0.121) 0.133 16.339 ( -0.749 0.000 -2.736) 2.837 16.406 ( 0.810 -0.000 -0.199) 0.834 16.466 ( -1.724 0.000 0.087) 1.726 16.932 ( 1.122 -0.000 0.073) 1.124 17.008 ( 0.286 -0.000 -0.788) 0.838 17.071 ( 0.441 -0.000 1.615) 1.674 17.449 ( -3.553 0.000 -1.041) 3.703 19.827 ( 3.897 -0.000 1.073) 4.042 19.998 ( -2.395 0.000 0.766) 2.514 21.028 ( -1.280 0.000 0.628) 1.426 21.077 ( 0.222 -0.000 1.256) 1.275 21.728 ( -2.339 0.000 0.556) 2.405 22.211 ( 0.646 -0.000 -2.946) 3.016 23.194 ( -1.504 0.000 1.045) 1.831 23.443 ( 0.583 -0.000 -2.199) 2.275 26.900 ( -0.079 0.000 0.158) 0.177 26.905 ( 0.081 -0.000 0.084) 0.117 29.494 ( 1.955 -0.000 2.323) 3.036 29.655 ( -1.890 0.000 -3.939) 4.369 30.066 ( 2.841 -0.000 2.033) 3.494 30.590 ( 0.538 -0.000 2.874) 2.924 30.598 ( 2.187 -0.000 2.391) 3.240 31.152 ( 3.117 -0.000 2.160) 3.792 31.240 ( 0.064 -0.000 2.425) 2.426 31.816 ( -0.459 0.000 -2.719) 2.758 32.116 ( -1.374 0.000 -1.834) 2.292 32.275 ( -0.685 0.000 -2.497) 2.590 32.583 ( 0.410 -0.000 -3.996) 4.017 33.316 ( -1.401 0.000 5.403) 5.582 33.782 ( 7.647 -0.000 -8.406) 11.364 34.011 ( 25.278 -0.000 -42.317) 49.292 35.297 ( -0.654 0.000 1.778) 1.894 35.526 ( -1.805 0.000 2.312) 2.933 35.574 ( -1.803 0.000 2.001) 2.693 35.822 ( 2.095 -0.000 -3.143) 3.777 36.099 ( 2.624 -0.000 4.005) 4.788 36.126 ( -2.789 0.000 11.748) 12.074 36.314 ( -20.715 0.000 28.068) 34.885 38.741 ( -4.906 0.000 -6.785) 8.373======================= Grid point 106 (49/114) =======================q-point: (-0.38 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.608 ( -16.279 -4.986 -6.768) 18.321 1.812 ( -17.349 -10.700 -5.960) 21.237 2.050 ( 6.327 -6.050 -11.239) 14.246 2.520 ( -0.718 -3.487 -12.898) 13.380 2.654 ( 3.726 -0.412 -4.308) 5.711 2.810 ( -14.235 -4.076 -11.628) 18.827 3.001 ( 3.375 3.532 -0.277) 4.893 3.053 ( -2.709 -3.546 -8.437) 9.544 3.334 ( 8.319 4.412 4.136) 10.285 3.451 ( 2.204 4.076 2.107) 5.090 3.490 ( 2.516 -0.972 9.876) 10.238 3.696 ( 11.288 -1.618 -2.857) 11.756 3.716 ( -1.792 -1.513 -4.646) 5.204 3.836 ( -2.754 -4.729 3.635) 6.569 4.012 ( 3.807 4.532 7.780) 9.776 4.119 ( -0.074 -2.202 2.639) 3.438 4.161 ( -0.839 -2.673 16.533) 16.769 4.520 ( -1.030 0.062 -1.375) 1.720 4.655 ( 0.222 0.972 3.080) 3.237 4.794 ( 2.370 0.753 -2.135) 3.277 4.941 ( -2.353 2.903 0.840) 3.830 5.189 ( -0.512 -6.419 -1.354) 6.580 5.284 ( -0.766 1.937 -2.298) 3.102 5.578 ( -2.203 -3.041 -8.504) 9.296 5.593 ( -1.428 3.674 -2.705) 4.780 5.676 ( 5.482 -2.961 5.148) 8.082 5.878 ( 0.811 -1.422 -2.612) 3.082 6.028 ( -1.401 -1.604 -4.032) 4.560 6.269 ( -2.138 7.986 -0.010) 8.268 6.383 ( 0.200 5.659 2.338) 6.126 7.851 ( -4.047 0.103 -1.319) 4.258 7.888 ( -1.799 0.511 -2.834) 3.396 8.231 ( 5.945 4.471 4.626) 8.760 8.323 ( -5.781 -0.942 -0.277) 5.864 8.806 ( 0.783 1.279 1.853) 2.384 9.007 ( 8.708 -4.158 4.498) 10.647 9.047 ( -0.714 2.467 0.302) 2.586 9.315 ( -1.914 1.000 -0.319) 2.183 9.371 ( -0.125 2.863 -4.160) 5.051 9.443 ( -2.610 0.674 -7.182) 7.671 9.657 ( -0.590 -3.093 -4.884) 5.811 9.804 ( -0.781 -1.540 -0.746) 1.881 10.088 ( -2.325 6.489 1.786) 7.121 10.267 ( -6.928 4.631 -0.579) 8.353 10.408 ( 3.455 3.934 2.944) 6.007 10.777 ( -1.316 5.557 -3.856) 6.891 10.994 ( -3.118 -3.910 2.752) 5.708 11.199 ( 4.436 -3.437 1.765) 5.883 11.479 ( -1.568 -3.052 -3.915) 5.206 11.583 ( -1.021 1.865 -3.341) 3.960 11.794 ( -5.584 2.025 -3.947) 7.131 12.039 ( -1.537 -2.010 8.172) 8.555 12.245 ( -1.981 9.961 -12.613) 16.194 12.384 ( 5.205 2.968 -0.050) 5.992 12.401 ( 2.840 0.393 1.981) 3.485 12.613 ( 1.026 1.901 1.479) 2.618 12.849 ( 2.331 7.077 2.467) 7.848 12.969 ( 5.113 4.658 1.252) 7.029 13.349 ( 2.848 -2.507 2.398) 4.489 13.456 ( -5.778 -2.003 -0.100) 6.116 13.630 ( -2.627 -6.395 -2.238) 7.267 13.735 ( -2.324 -1.245 -1.759) 3.169 14.411 ( 14.323 3.165 10.031) 17.771 14.704 ( 2.013 -5.896 -4.942) 7.952 14.823 ( 0.276 -10.619 2.580) 10.932 14.979 ( -1.816 -7.089 1.678) 7.508 15.130 ( 6.374 -7.819 1.549) 10.206 15.288 ( 0.912 -3.816 0.988) 4.046 15.992 ( -5.691 -8.411 -0.372) 10.162 16.216 ( -3.319 6.643 -4.771) 8.827 16.389 ( 4.103 4.536 -0.228) 6.121 16.463 ( 3.334 0.082 1.966) 3.872 16.966 ( 2.049 -2.580 0.629) 3.355 17.042 ( 0.223 -2.896 -0.964) 3.061 17.158 ( 1.098 -7.017 1.958) 7.367 17.415 ( -4.188 -0.896 -2.066) 4.755 19.906 ( 3.636 -4.625 1.255) 6.015 19.960 ( -4.473 0.790 0.092) 4.543 20.877 ( -2.113 12.037 1.673) 12.335 21.049 ( 0.983 6.599 -0.600) 6.698 21.817 ( -2.308 -10.792 0.983) 11.080 22.289 ( 0.704 -9.392 -3.275) 9.971 23.109 ( -2.153 7.916 1.304) 8.306 23.403 ( 0.765 3.583 -2.432) 4.398 27.009 ( -1.178 -12.080 0.499) 12.147 27.057 ( 2.870 -15.425 1.130) 15.730 29.279 ( 1.618 19.903 2.759) 20.158 29.550 ( -3.773 9.145 -6.149) 11.648 30.318 ( 4.772 -17.103 6.507) 18.911 30.631 ( 1.475 -1.835 2.853) 3.699 30.668 ( 3.740 -3.666 2.862) 5.968 31.218 ( 3.515 -2.561 3.640) 5.671 31.278 ( -0.282 -2.628 2.019) 3.326 31.725 ( -0.698 6.772 -3.469) 7.641 31.965 ( -1.476 10.916 -2.599) 11.318 32.328 ( -1.399 -6.847 -5.931) 9.166 32.679 ( -0.304 -10.876 -2.913) 11.264 33.316 ( 0.021 2.764 4.820) 5.556 33.747 ( 10.082 6.369 -12.346) 17.165 33.798 ( 13.217 12.789 -37.100) 41.408 35.324 ( -0.504 -1.972 1.984) 2.842 35.488 ( -2.650 2.203 2.541) 4.282 35.575 ( -2.030 -0.790 1.537) 2.666 35.878 ( 3.366 -3.378 -2.730) 5.495 36.119 ( -0.207 1.043 5.854) 5.949 36.195 ( -4.525 -1.749 6.163) 7.843 36.438 ( -8.559 -9.122 33.216) 35.493 38.554 ( -6.167 9.945 -10.520) 15.735======================= Grid point 107 (50/114) =======================q-point: (-0.25 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.715 ( -15.697 -19.342 0.056) 24.910 1.912 ( -11.511 -15.617 4.773) 19.979 2.176 ( 7.527 -8.688 -7.304) 13.619 2.462 ( -13.574 0.126 -13.353) 19.041 2.703 ( -7.181 -0.126 3.729) 8.093 2.793 ( 0.366 -14.041 -13.496) 19.479 2.929 ( -0.575 3.881 -1.464) 4.188 3.048 ( 0.935 -7.226 -10.963) 13.164 3.274 ( 5.746 7.490 -0.171) 9.442 3.426 ( 0.891 -1.211 -2.438) 2.864 3.535 ( 0.160 -0.375 -2.813) 2.843 3.684 ( 0.051 2.099 -5.145) 5.557 3.744 ( 4.697 7.829 0.333) 9.136 3.907 ( -0.591 -4.882 2.168) 5.375 3.927 ( -2.779 6.355 2.697) 7.442 4.221 ( 10.653 -0.148 2.413) 10.923 4.289 ( -0.285 -0.009 19.900) 19.902 4.489 ( -3.684 1.261 0.819) 3.979 4.674 ( 6.148 1.395 2.762) 6.883 4.788 ( -1.417 -1.543 -1.846) 2.793 4.987 ( 5.122 -2.327 4.663) 7.307 5.214 ( -1.515 2.163 -5.143) 5.781 5.301 ( 2.919 -6.113 0.799) 6.822 5.509 ( -1.077 3.267 0.753) 3.521 5.571 ( -4.256 -4.270 -8.519) 10.437 5.787 ( 3.678 -1.710 2.375) 4.700 5.910 ( -0.175 -2.969 -3.562) 4.640 6.030 ( -1.032 -2.446 -3.545) 4.429 6.115 ( 0.604 8.021 4.091) 9.024 6.263 ( -0.583 8.441 3.464) 9.143 7.835 ( -2.138 -1.200 -0.111) 2.454 7.882 ( 3.455 0.409 0.734) 3.556 8.220 ( -0.091 4.680 2.870) 5.491 8.250 ( -5.302 0.229 -1.145) 5.429 8.824 ( -0.420 -1.754 2.399) 3.002 9.020 ( 0.813 0.865 2.564) 2.826 9.096 ( 2.359 2.059 -0.043) 3.131 9.250 ( -2.593 2.820 -1.973) 4.309 9.287 ( 0.519 3.676 -2.888) 4.704 9.405 ( 0.181 -1.441 -6.663) 6.820 9.716 ( 0.558 -4.815 -4.283) 6.468 9.822 ( 0.061 1.905 5.286) 5.619 9.960 ( 0.355 3.325 -3.685) 4.977 10.077 ( -3.276 9.231 -0.222) 9.798 10.377 ( -1.204 4.197 2.899) 5.241 10.629 ( -1.436 5.562 -4.108) 7.062 11.075 ( -0.706 -3.527 4.330) 5.629 11.300 ( 1.291 -3.315 3.312) 4.860 11.473 ( -7.470 1.789 0.608) 7.705 11.562 ( 4.989 -2.118 -3.632) 6.524 11.689 ( -4.031 2.388 -3.564) 5.887 11.919 ( -6.346 7.384 -13.253) 16.445 12.147 ( -2.007 -6.655 0.465) 6.966 12.379 ( 8.072 5.076 1.750) 9.695 12.407 ( -0.655 1.054 2.632) 2.910 12.558 ( -1.484 2.306 -1.108) 2.958 12.791 ( 5.903 5.813 3.548) 9.012 12.914 ( 0.522 5.643 0.345) 5.678 13.442 ( -2.699 -2.533 4.870) 6.117 13.515 ( 4.903 -5.421 0.443) 7.323 13.683 ( -4.037 -4.728 -6.400) 8.922 13.739 ( 1.404 -2.594 0.900) 3.084 14.529 ( 7.099 -1.561 6.363) 9.660 14.609 ( -6.798 7.321 -6.704) 12.031 14.990 ( 0.747 -7.540 2.883) 8.106 15.170 ( 1.800 -6.877 3.014) 7.721 15.317 ( 5.010 -8.164 0.103) 9.579 15.497 ( 5.606 -10.205 3.685) 12.213 15.939 ( -8.057 5.480 -2.008) 9.949 16.203 ( -6.357 -10.867 -4.715) 13.444 16.319 ( 2.775 5.533 0.212) 6.193 16.567 ( 13.238 -1.833 4.258) 14.026 17.028 ( -1.397 -2.525 0.331) 2.905 17.094 ( 3.315 -2.772 -0.565) 4.359 17.306 ( 1.294 -5.824 0.961) 6.043 17.408 ( -2.631 -2.161 -0.114) 3.406 19.933 ( -4.251 -2.274 0.454) 4.843 20.053 ( 3.696 -8.110 -0.637) 8.935 20.634 ( -2.350 13.871 1.961) 14.205 20.877 ( 1.543 11.858 -2.059) 12.134 22.044 ( -2.402 -15.130 1.076) 15.357 22.484 ( 1.318 -12.984 -3.209) 13.439 22.943 ( -2.165 9.106 3.097) 9.859 23.301 ( 1.230 7.135 -2.381) 7.622 27.283 ( -2.934 -19.343 0.544) 19.572 27.478 ( 10.464 -23.031 4.143) 25.633 28.925 ( 1.650 22.889 3.320) 23.187 29.226 ( -5.658 17.997 -7.950) 20.472 30.686 ( 2.587 -14.735 7.215) 16.610 30.708 ( 1.616 -3.971 2.749) 5.093 30.816 ( 4.426 -7.751 2.221) 9.197 31.294 ( -3.790 -2.861 2.434) 5.336 31.364 ( 5.396 -3.045 3.514) 7.123 31.569 ( -0.422 6.545 -3.711) 7.536 31.732 ( -0.388 11.953 -3.379) 12.427 32.382 ( -0.230 -4.804 -13.669) 14.490 32.868 ( -1.625 -11.723 -2.503) 12.097 33.251 ( 0.525 7.469 -4.233) 8.601 33.398 ( 1.084 10.137 -19.278) 21.808 33.660 ( 5.206 7.502 -4.278) 10.084 35.363 ( -1.399 -1.449 2.366) 3.107 35.472 ( -2.357 -0.965 2.635) 3.664 35.587 ( -1.855 -1.383 1.246) 2.628 35.920 ( 2.210 -0.293 -1.449) 2.659 36.130 ( -0.737 0.588 5.032) 5.119 36.201 ( -7.302 1.212 12.417) 14.456 36.807 ( 4.891 -15.438 17.979) 24.197 38.215 ( -4.661 15.424 -12.575) 20.439======================= Grid point 108 (51/114) =======================q-point: (-0.12 -0.50 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.917 ( -14.400 -16.749 -0.312) 22.090 2.219 ( -19.087 -7.729 -8.629) 22.327 2.248 ( 0.327 -5.994 7.974) 9.981 2.376 ( 6.323 -7.536 -0.989) 9.887 2.653 ( -3.131 1.324 0.498) 3.436 2.838 ( -5.382 -1.676 -1.339) 5.794 3.027 ( 2.197 -12.420 -7.182) 14.514 3.111 ( 5.678 5.335 0.628) 7.817 3.218 ( 3.934 0.886 -2.501) 4.745 3.468 ( -4.950 -5.294 -7.503) 10.432 3.537 ( -1.473 5.531 -6.687) 8.802 3.559 ( 1.224 -5.861 -6.927) 9.156 3.666 ( 4.029 -0.673 -4.476) 6.060 3.807 ( 4.532 8.339 6.531) 11.521 3.967 ( -1.388 -0.791 -1.039) 1.905 4.303 ( 7.270 1.749 7.775) 10.787 4.334 ( -3.387 1.549 10.415) 11.060 4.478 ( 3.382 0.962 1.962) 4.026 4.673 ( 0.446 3.538 -2.120) 4.149 4.805 ( -0.198 -2.935 -3.367) 4.472 5.062 ( 4.867 -0.270 0.774) 4.935 5.139 ( 0.694 2.815 -5.222) 5.972 5.433 ( 2.935 2.603 4.222) 5.764 5.483 ( 0.379 -2.999 6.401) 7.079 5.542 ( -5.066 -0.462 -5.465) 7.466 5.825 ( 1.047 -0.416 -4.103) 4.255 5.906 ( -6.418 -3.126 -0.139) 7.141 6.045 ( 1.071 4.407 3.375) 5.653 6.061 ( -1.115 -2.142 -1.856) 3.046 6.194 ( 6.369 3.347 6.872) 9.950 7.844 ( -0.539 -0.489 0.160) 0.745 7.928 ( 4.172 -0.681 1.699) 4.556 8.070 ( -11.173 3.118 -2.918) 11.961 8.268 ( 4.532 1.121 2.813) 5.451 8.882 ( -1.168 -2.979 2.970) 4.365 8.997 ( -0.083 6.043 -0.029) 6.044 9.019 ( -1.356 1.632 -1.611) 2.664 9.186 ( -0.780 2.531 -2.711) 3.791 9.262 ( 1.207 -2.144 -0.261) 2.475 9.388 ( 1.810 0.278 -5.265) 5.575 9.667 ( -3.069 4.919 -0.026) 5.798 9.804 ( 3.901 5.064 5.625) 8.515 9.963 ( -3.784 -4.191 -2.802) 6.303 10.040 ( 4.892 -5.657 -1.561) 7.640 10.289 ( -1.256 5.311 3.199) 6.326 10.523 ( -2.290 3.042 -4.024) 5.540 11.122 ( -0.894 0.654 4.280) 4.421 11.344 ( -1.697 -0.441 1.095) 2.067 11.382 ( -6.179 2.744 2.942) 7.374 11.584 ( 1.583 1.093 -5.858) 6.165 11.639 ( -0.379 -1.290 0.374) 1.396 11.821 ( -1.096 -5.921 -7.644) 9.730 12.259 ( 0.201 -6.064 -1.466) 6.242 12.358 ( 6.721 3.646 1.085) 7.723 12.414 ( -2.848 -1.918 3.186) 4.684 12.528 ( -2.359 -0.989 -1.416) 2.924 12.732 ( 5.313 8.132 1.907) 9.899 12.776 ( 0.019 8.295 -0.314) 8.301 13.477 ( -3.337 -0.616 2.726) 4.352 13.634 ( 5.129 -2.452 2.702) 6.295 13.693 ( -2.800 -5.300 -5.478) 8.120 13.872 ( 4.161 -7.472 -0.428) 8.563 14.337 ( -11.496 8.949 -4.463) 15.236 14.643 ( 3.769 -0.988 2.861) 4.834 15.142 ( 0.681 -6.467 3.275) 7.281 15.279 ( 2.341 -4.622 0.205) 5.185 15.443 ( 3.744 -1.357 1.360) 4.208 15.562 ( -0.780 6.543 -1.449) 6.747 15.933 ( -1.303 -9.464 4.547) 10.580 16.207 ( -4.144 5.862 -0.275) 7.184 16.327 ( -4.742 -9.320 -6.799) 12.474 16.708 ( 14.897 2.104 3.548) 15.457 17.054 ( -1.783 -2.272 -0.076) 2.890 17.167 ( 4.207 -1.874 -0.332) 4.618 17.353 ( -2.506 -0.766 -1.607) 3.074 17.444 ( 0.270 -0.783 3.270) 3.374 19.995 ( -2.896 -7.273 1.094) 7.904 20.198 ( 3.748 -2.712 -4.618) 6.537 20.421 ( -1.488 6.274 3.589) 7.380 20.652 ( 1.559 12.913 -3.127) 13.378 22.300 ( -2.506 -14.637 1.327) 14.909 22.712 ( 1.862 -12.565 -3.586) 13.198 22.798 ( -1.078 8.504 5.253) 10.054 23.149 ( 1.485 9.625 -1.947) 9.931 27.633 ( -3.675 -22.482 0.064) 22.780 27.998 ( 14.484 -18.950 4.988) 24.367 28.540 ( 1.519 23.649 3.530) 23.959 28.784 ( -5.648 19.590 -8.276) 22.004 30.819 ( 0.351 -6.058 1.906) 6.361 30.917 ( -0.486 -4.657 6.632) 8.118 31.014 ( 3.064 -9.721 0.738) 10.219 31.299 ( -5.713 -0.939 -0.246) 5.794 31.367 ( -0.377 4.425 2.003) 4.871 31.465 ( -0.920 9.704 -0.598) 9.766 31.619 ( 6.049 -3.657 -6.820) 9.822 32.330 ( 3.035 -0.622 -17.206) 17.483 32.962 ( -4.363 -2.460 -3.658) 6.203 33.147 ( -1.909 -4.801 -2.861) 5.906 33.288 ( -0.677 1.786 1.328) 2.326 33.531 ( 4.803 8.791 -2.806) 10.403 35.378 ( -2.398 -0.404 2.814) 3.719 35.498 ( -1.914 -1.693 2.169) 3.351 35.605 ( -1.809 -1.141 1.674) 2.716 35.917 ( 1.675 0.972 -1.730) 2.597 36.138 ( -0.597 1.618 5.316) 5.589 36.193 ( -7.672 0.352 11.908) 14.170 37.207 ( 8.304 -15.030 6.859) 18.491 37.830 ( -2.531 15.928 -11.873) 20.027======================= Grid point 114 (52/114) =======================q-point: (-0.38 -0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.383 ( -23.578 0.000 -16.489) 28.772 1.408 ( -23.253 0.000 -10.525) 25.524 1.990 ( 10.485 -0.000 -11.507) 15.567 2.436 ( 5.560 -0.000 -23.763) 24.405 2.441 ( -27.872 0.000 -16.547) 32.413 2.763 ( -1.141 0.000 2.263) 2.534 2.942 ( -7.098 0.000 -0.309) 7.105 3.045 ( -0.047 0.000 3.704) 3.704 3.476 ( -0.922 0.000 -1.723) 1.954 3.491 ( 6.383 -0.000 7.064) 9.521 3.586 ( 5.355 -0.000 7.142) 8.926 3.659 ( -2.400 0.000 1.057) 2.623 3.680 ( -3.679 0.000 -1.952) 4.165 3.891 ( 16.293 -0.000 2.456) 16.477 4.048 ( -6.662 0.000 3.977) 7.759 4.201 ( 13.814 -0.000 4.500) 14.529 4.245 ( 1.067 -0.000 22.024) 22.050 4.501 ( 1.099 -0.000 -1.690) 2.016 4.701 ( 2.678 -0.000 4.336) 5.097 4.846 ( 6.511 -0.000 2.794) 7.085 5.010 ( -0.493 0.000 -2.141) 2.197 5.028 ( -3.124 0.000 -1.112) 3.316 5.290 ( 0.289 -0.000 -5.064) 5.072 5.419 ( -8.111 0.000 -14.633) 16.731 5.612 ( 0.221 -0.000 -0.991) 1.016 5.763 ( 8.409 -0.000 6.890) 10.871 5.864 ( 1.601 -0.000 -2.161) 2.689 5.978 ( -1.680 0.000 -4.659) 4.953 6.310 ( -4.019 0.000 -0.546) 4.055 6.439 ( -0.737 0.000 0.102) 0.744 7.821 ( -1.953 0.000 1.016) 2.202 7.861 ( -0.210 0.000 -1.471) 1.486 8.264 ( -8.227 0.000 -0.672) 8.254 8.327 ( 1.662 -0.000 3.615) 3.979 8.845 ( 1.047 -0.000 -0.665) 1.240 9.053 ( 7.064 -0.000 -0.136) 7.066 9.072 ( 4.950 -0.000 0.608) 4.988 9.287 ( -5.553 0.000 -1.506) 5.753 9.374 ( 1.227 -0.000 -5.556) 5.690 9.377 ( -3.894 0.000 -6.227) 7.345 9.577 ( -2.790 0.000 -4.481) 5.279 9.799 ( 1.838 -0.000 0.788) 2.000 10.161 ( -2.311 0.000 3.259) 3.995 10.248 ( -4.251 0.000 4.342) 6.077 10.504 ( 1.105 -0.000 2.425) 2.665 10.807 ( 0.000 -0.000 -3.527) 3.527 10.949 ( -0.908 0.000 2.341) 2.511 11.215 ( 6.195 -0.000 1.746) 6.437 11.409 ( -1.709 0.000 -4.411) 4.730 11.575 ( -0.041 0.000 -3.932) 3.932 11.763 ( -5.213 0.000 -0.774) 5.270 12.014 ( -4.738 0.000 -1.059) 4.855 12.271 ( -5.310 0.000 -8.999) 10.449 12.455 ( 4.988 -0.000 6.178) 7.940 12.480 ( 5.263 -0.000 3.436) 6.285 12.640 ( -0.221 0.000 -1.790) 1.803 12.946 ( 0.700 -0.000 2.109) 2.222 13.049 ( 7.218 -0.000 -4.905) 8.727 13.344 ( -0.490 0.000 2.011) 2.069 13.403 ( -1.431 0.000 -1.763) 2.271 13.551 ( -0.221 0.000 3.248) 3.255 13.698 ( -1.233 0.000 -2.524) 2.809 14.641 ( 1.572 -0.000 0.059) 1.573 14.660 ( 1.230 -0.000 0.196) 1.246 14.686 ( 13.825 -0.000 12.962) 18.951 14.990 ( 5.439 -0.000 1.550) 5.655 15.012 ( 0.196 -0.000 -1.257) 1.272 15.268 ( 0.563 -0.000 -3.487) 3.532 15.874 ( -5.675 0.000 4.595) 7.302 16.248 ( -3.354 0.000 -7.840) 8.527 16.460 ( 4.991 -0.000 -0.959) 5.082 16.469 ( 1.855 -0.000 -0.064) 1.857 16.950 ( 0.597 -0.000 0.724) 0.939 17.008 ( 1.775 -0.000 -1.812) 2.536 17.117 ( 1.349 -0.000 4.088) 4.305 17.346 ( -5.604 0.000 -4.503) 7.189 19.902 ( 3.189 -0.000 2.184) 3.865 19.915 ( -7.601 0.000 -1.013) 7.668 21.005 ( -2.145 0.000 0.252) 2.160 21.097 ( -0.103 0.000 2.271) 2.274 21.708 ( -1.464 0.000 1.111) 1.838 22.180 ( 0.414 -0.000 -3.707) 3.730 23.182 ( -1.160 0.000 0.583) 1.298 23.426 ( 0.985 -0.000 -2.349) 2.547 26.901 ( -0.105 0.000 0.183) 0.211 26.908 ( 0.067 -0.000 0.116) 0.134 29.515 ( -0.680 0.000 -0.403) 0.791 29.562 ( -3.715 0.000 -3.857) 5.355 30.233 ( 5.995 -0.000 13.055) 14.366 30.653 ( 3.254 -0.000 2.867) 4.337 30.679 ( 4.008 -0.000 2.494) 4.721 31.247 ( 4.686 -0.000 3.925) 6.113 31.268 ( 0.440 -0.000 2.128) 2.173 31.758 ( -0.022 0.000 -8.354) 8.354 32.041 ( -4.775 0.000 -2.848) 5.559 32.217 ( -2.139 0.000 -3.962) 4.503 32.548 ( 0.267 -0.000 -3.031) 3.042 33.371 ( 0.947 -0.000 4.433) 4.533 33.793 ( 16.141 -0.000 -47.897) 50.543 33.809 ( 12.754 -0.000 -22.020) 25.447 35.309 ( -0.680 0.000 1.791) 1.916 35.510 ( -2.113 0.000 0.277) 2.131 35.562 ( -1.128 0.000 0.160) 1.139 35.845 ( 4.484 -0.000 -1.598) 4.760 36.137 ( -5.042 0.000 3.628) 6.211 36.200 ( 3.170 -0.000 5.461) 6.314 36.531 ( -14.077 0.000 57.211) 58.918 38.520 ( -7.988 0.000 -13.182) 15.414======================= Grid point 115 (53/114) =======================q-point: (-0.25 -0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.245 ( -21.661 -14.823 -4.903) 26.701 1.405 ( -21.275 -23.543 -9.225) 33.045 2.059 ( -6.404 -8.869 -13.200) 17.144 2.142 ( -13.744 -2.000 -13.782) 19.566 2.469 ( 1.743 -12.241 -17.357) 21.311 2.713 ( -2.705 3.859 3.725) 6.007 2.848 ( -15.413 -1.271 -3.415) 15.838 3.027 ( -0.002 5.972 0.944) 6.046 3.396 ( -0.020 3.776 -4.062) 5.546 3.506 ( 4.093 3.811 2.201) 6.009 3.578 ( -0.777 4.341 0.775) 4.478 3.680 ( -0.516 0.065 -0.948) 1.082 3.769 ( 0.317 -6.699 3.203) 7.432 3.953 ( 11.672 6.509 0.533) 13.375 4.024 ( 0.023 1.612 2.990) 3.397 4.330 ( 6.850 0.162 7.228) 9.960 4.383 ( 1.574 -1.940 17.134) 17.315 4.527 ( 7.186 1.110 1.845) 7.501 4.756 ( 3.748 -0.143 4.266) 5.680 4.845 ( 4.510 3.931 2.550) 6.503 5.029 ( 8.088 -2.338 8.267) 11.799 5.130 ( -0.419 -7.735 -4.315) 8.868 5.216 ( -1.257 1.947 -4.770) 5.303 5.360 ( -4.547 -6.439 -13.691) 15.798 5.583 ( -0.088 3.230 0.995) 3.381 5.824 ( 2.480 1.114 -0.280) 2.733 5.874 ( 1.307 -0.935 -1.974) 2.545 5.963 ( 0.016 -2.211 -4.061) 4.624 6.239 ( -2.657 4.499 2.701) 5.882 6.385 ( -1.438 4.349 0.229) 4.587 7.813 ( 0.260 0.739 2.160) 2.298 7.899 ( 2.567 -1.550 1.926) 3.564 8.167 ( -11.444 1.555 -2.083) 11.735 8.331 ( 0.303 1.661 2.949) 3.398 8.837 ( 2.125 0.962 1.518) 2.784 9.024 ( -1.868 0.637 -2.753) 3.388 9.145 ( 2.607 0.595 -2.534) 3.684 9.233 ( -2.628 -0.686 -7.979) 8.429 9.321 ( -0.951 2.498 -0.339) 2.694 9.361 ( 2.023 -0.623 -0.990) 2.337 9.584 ( -0.423 -4.861 -4.826) 6.863 9.843 ( 2.747 -2.703 0.463) 3.882 10.072 ( -2.417 9.087 4.887) 10.597 10.224 ( -0.797 5.628 3.022) 6.438 10.459 ( -1.983 4.664 2.803) 5.792 10.719 ( 0.277 6.915 -4.094) 8.041 11.020 ( 2.430 -4.934 3.921) 6.755 11.291 ( 3.345 -1.420 2.935) 4.671 11.410 ( -2.225 -2.930 -1.480) 3.965 11.550 ( 1.372 0.024 -3.834) 4.072 11.686 ( -5.136 2.949 -1.837) 6.200 11.920 ( -9.526 4.868 -17.038) 20.118 12.094 ( -4.316 4.730 5.561) 8.480 12.457 ( -0.355 3.536 2.682) 4.452 12.525 ( 2.035 2.148 1.665) 3.395 12.589 ( 1.444 2.910 -1.891) 3.759 12.934 ( 4.911 3.488 3.215) 6.828 13.017 ( 3.090 5.156 -3.358) 6.885 13.369 ( -4.289 -2.564 1.884) 5.340 13.471 ( 7.339 -6.265 2.470) 9.961 13.576 ( -1.623 -1.468 -1.091) 2.445 13.718 ( 0.798 -2.151 -0.432) 2.334 14.598 ( 0.214 3.073 -2.525) 3.983 14.619 ( -2.643 5.918 -5.007) 8.190 14.857 ( -3.547 -7.152 4.460) 9.145 15.051 ( 5.478 -9.943 4.804) 12.327 15.285 ( 7.914 -4.259 -0.829) 9.025 15.336 ( 7.162 -16.021 1.792) 17.641 15.912 ( -5.325 -2.300 5.176) 7.774 16.088 ( -3.619 5.317 -8.210) 10.429 16.444 ( 4.250 4.368 -0.185) 6.097 16.593 ( 10.583 -8.152 0.752) 13.380 16.975 ( -0.911 -2.024 -0.248) 2.233 17.064 ( 3.696 -3.790 -0.865) 5.364 17.208 ( 1.433 -6.071 2.895) 6.877 17.308 ( -4.782 -3.874 -4.015) 7.348 19.858 ( -7.409 -1.339 -0.951) 7.588 19.968 ( 2.608 -3.803 0.669) 4.660 20.860 ( -2.426 11.781 1.676) 12.144 21.059 ( 0.780 7.114 0.064) 7.157 21.802 ( -1.931 -10.295 2.363) 10.738 22.262 ( 0.872 -10.010 -3.616) 10.679 23.095 ( -1.550 7.607 1.954) 8.005 23.396 ( 1.802 3.453 -2.112) 4.431 26.995 ( -0.973 -10.940 0.158) 10.984 27.153 ( 8.054 -23.327 2.687) 24.824 29.312 ( -0.726 17.516 1.456) 17.591 29.427 ( -3.559 11.251 -4.245) 12.541 30.497 ( 2.919 -13.425 11.640) 18.006 30.702 ( 3.339 -0.902 3.164) 4.687 30.757 ( 3.881 -3.946 1.859) 5.839 31.248 ( -3.570 1.487 0.467) 3.895 31.361 ( 6.816 -4.242 2.761) 8.490 31.642 ( -0.919 5.261 -9.803) 11.163 31.904 ( -2.758 8.913 -2.090) 9.562 32.209 ( -1.904 -4.455 -11.271) 12.268 32.641 ( -0.831 -10.154 -2.315) 10.448 33.354 ( 3.234 8.153 -17.467) 19.545 33.432 ( 4.643 8.021 -37.427) 38.558 33.783 ( 5.960 4.197 -4.962) 8.818 35.332 ( -1.076 -1.845 1.584) 2.659 35.471 ( -2.474 1.469 1.596) 3.290 35.558 ( -1.207 -0.808 0.216) 1.468 35.907 ( 3.384 -2.030 -1.965) 4.409 36.139 ( -2.061 -1.500 3.507) 4.335 36.253 ( 0.051 0.386 7.936) 7.946 36.816 ( -4.605 -3.496 52.772) 53.088 38.311 ( -5.986 8.090 -14.281) 17.471======================= Grid point 116 (54/114) =======================q-point: (-0.12 -0.38 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.423 ( -18.300 -22.689 -1.255) 29.177 1.714 ( -26.401 -20.406 -3.116) 33.513 2.034 ( -9.915 -22.623 -7.474) 25.807 2.281 ( 8.865 -8.326 2.345) 12.386 2.603 ( -9.177 -0.453 -2.456) 9.511 2.656 ( -3.762 -11.825 -7.767) 14.639 2.873 ( -6.925 1.645 -1.791) 7.339 2.879 ( -3.039 -11.718 -7.795) 14.399 3.331 ( 1.774 2.992 -1.841) 3.935 3.441 ( 1.424 5.892 -2.150) 6.431 3.539 ( 6.236 3.033 0.020) 6.935 3.584 ( -3.801 5.766 -4.223) 8.095 3.793 ( 2.180 4.346 -2.129) 5.308 3.901 ( 3.408 4.347 0.276) 5.530 4.042 ( 5.601 1.419 1.904) 6.083 4.358 ( -0.790 2.858 5.389) 6.151 4.455 ( -1.731 2.604 11.874) 12.279 4.619 ( 15.911 1.632 5.065) 16.777 4.775 ( 1.931 4.558 0.305) 4.959 4.838 ( 7.589 3.891 4.947) 9.859 5.117 ( 3.079 3.031 -4.999) 6.608 5.157 ( 4.115 0.408 -0.284) 4.145 5.357 ( 3.447 -14.038 5.612) 15.506 5.393 ( -4.450 -7.023 -8.496) 11.888 5.517 ( -1.793 3.934 1.275) 4.508 5.802 ( -1.754 -0.588 -1.012) 2.109 5.848 ( -3.362 1.685 -3.665) 5.251 5.991 ( 0.884 -2.496 -3.280) 4.215 6.161 ( -1.316 5.173 3.374) 6.315 6.330 ( 4.240 2.604 4.087) 6.439 7.836 ( 1.714 -0.780 2.669) 3.267 7.911 ( -7.230 0.259 -2.115) 7.537 8.048 ( -3.398 2.414 0.403) 4.188 8.324 ( -0.020 0.323 1.908) 1.935 8.862 ( -0.164 -0.542 2.085) 2.160 9.005 ( -1.256 -0.839 -2.129) 2.611 9.066 ( -3.446 3.660 -1.469) 5.237 9.198 ( 0.999 0.477 -3.561) 3.729 9.263 ( -2.419 2.002 0.688) 3.214 9.400 ( 6.059 0.170 -2.098) 6.414 9.653 ( 0.166 -3.892 -4.649) 6.065 9.876 ( -3.640 1.811 -4.449) 6.027 9.955 ( 2.108 0.318 6.924) 7.245 10.089 ( 1.384 10.318 4.050) 11.171 10.364 ( -3.862 4.173 0.760) 5.736 10.581 ( 1.090 6.585 -2.175) 7.020 11.145 ( 2.031 -1.622 5.084) 5.710 11.311 ( -2.980 -0.307 0.613) 3.058 11.407 ( -4.768 1.765 5.065) 7.177 11.572 ( 2.662 -0.042 -7.899) 8.336 11.609 ( -2.822 -1.698 -3.611) 4.887 11.687 ( -3.683 -0.318 -4.865) 6.110 12.131 ( -1.547 -6.032 1.057) 6.316 12.409 ( -2.313 1.142 1.700) 3.090 12.464 ( -1.698 2.831 -1.559) 3.650 12.557 ( 5.927 4.135 0.247) 7.231 12.900 ( 0.010 7.552 -2.321) 7.901 12.925 ( 6.393 5.257 2.555) 8.662 13.424 ( -3.601 -4.583 3.643) 6.874 13.561 ( -2.488 -1.575 -4.511) 5.387 13.648 ( 7.053 -3.950 3.778) 8.923 13.793 ( 3.316 -5.062 -0.118) 6.053 14.337 ( -13.827 7.365 -10.366) 18.785 14.622 ( 0.041 -2.125 0.876) 2.299 15.006 ( -2.724 -8.650 0.882) 9.112 15.254 ( 5.303 -6.743 3.512) 9.270 15.438 ( 6.759 -4.463 1.753) 8.288 15.631 ( 6.607 -5.939 1.644) 9.035 15.825 ( -5.145 2.555 -0.907) 5.815 16.037 ( -8.554 -4.890 -1.598) 9.981 16.379 ( 4.127 6.773 -0.135) 7.933 16.838 ( 16.592 -3.497 1.647) 17.036 17.008 ( 0.326 -2.420 0.644) 2.525 17.156 ( 4.084 -2.869 -0.234) 4.997 17.283 ( -3.298 -3.289 -2.333) 5.210 17.409 ( 2.209 -6.215 0.368) 6.606 19.859 ( -5.300 -4.888 -0.108) 7.211 20.085 ( 3.467 -7.556 -3.552) 9.041 20.621 ( -2.442 13.323 2.232) 13.728 20.880 ( 1.453 12.454 -1.601) 12.641 22.031 ( -2.203 -14.521 3.211) 15.035 22.466 ( 1.270 -13.471 -3.493) 13.974 22.973 ( 0.381 7.711 4.908) 9.148 23.304 ( 2.254 7.337 -1.870) 7.900 27.247 ( -2.038 -18.005 0.078) 18.120 27.779 ( 22.857 -25.883 5.808) 35.016 28.959 ( -1.893 21.517 1.468) 21.650 29.080 ( -3.201 20.811 -4.551) 21.542 30.729 ( 0.982 -5.265 -1.265) 5.503 30.821 ( -0.881 -8.661 8.742) 12.338 30.896 ( 2.432 -7.492 3.155) 8.486 31.170 ( -10.741 -2.788 -7.227) 13.242 31.492 ( 0.905 7.006 1.181) 7.163 31.508 ( 4.880 -4.722 -5.158) 8.527 31.687 ( -1.483 11.922 -1.816) 12.150 32.196 ( 2.634 -4.840 -20.828) 21.545 32.790 ( -3.762 -8.701 -6.202) 11.328 33.020 ( -6.467 -1.135 -14.425) 15.849 33.358 ( 0.739 3.791 1.702) 4.220 33.699 ( 5.412 7.274 -3.655) 9.776 35.359 ( -2.180 -1.233 2.020) 3.217 35.465 ( -1.803 -1.329 1.934) 2.959 35.574 ( -1.230 -1.608 0.703) 2.143 35.921 ( 0.362 0.051 -2.004) 2.037 36.179 ( 0.300 -0.191 5.363) 5.375 36.259 ( -4.807 3.163 11.927) 13.242 37.122 ( 3.737 -6.664 24.665) 25.822 38.009 ( -1.993 13.347 -13.028) 18.757======================= Grid point 123 (55/114) =======================q-point: (-0.25 -0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.834 ( -27.111 0.000 -11.523) 29.458 0.892 ( -27.721 0.000 -8.839) 29.096 1.628 ( -44.874 0.000 -12.622) 46.616 2.130 ( 11.292 -0.000 -4.990) 12.345 2.268 ( 3.051 -0.000 -17.088) 17.358 2.676 ( -21.803 0.000 -0.972) 21.825 2.779 ( -1.992 0.000 4.470) 4.894 3.118 ( 3.190 -0.000 1.427) 3.495 3.375 ( -5.406 0.000 -5.240) 7.529 3.577 ( -0.542 0.000 -1.464) 1.562 3.604 ( 1.848 -0.000 -1.819) 2.594 3.697 ( 2.000 -0.000 3.449) 3.987 3.762 ( 5.128 -0.000 4.720) 6.969 4.000 ( -4.842 0.000 4.203) 6.412 4.150 ( 15.147 -0.000 -4.869) 15.911 4.417 ( 4.688 -0.000 6.451) 7.974 4.437 ( -1.342 0.000 12.701) 12.772 4.615 ( 10.154 -0.000 0.474) 10.165 4.781 ( 3.470 -0.000 2.960) 4.561 4.936 ( 1.679 -0.000 9.458) 9.606 5.056 ( 3.787 -0.000 -7.654) 8.540 5.127 ( 8.095 -0.000 -4.393) 9.210 5.175 ( -2.048 0.000 1.613) 2.607 5.243 ( 3.826 -0.000 4.665) 6.034 5.620 ( -0.576 0.000 1.079) 1.223 5.826 ( -0.702 0.000 -8.192) 8.222 5.845 ( -2.611 0.000 -1.590) 3.057 5.935 ( 4.327 -0.000 -3.001) 5.265 6.272 ( -2.955 0.000 3.734) 4.762 6.396 ( -3.233 0.000 -1.455) 3.545 7.878 ( -2.964 0.000 0.802) 3.070 7.911 ( 6.084 -0.000 8.741) 10.650 8.096 ( -7.251 0.000 -0.170) 7.253 8.351 ( -2.272 0.000 3.963) 4.568 8.870 ( 2.310 -0.000 0.091) 2.312 8.979 ( -3.600 0.000 -7.988) 8.762 9.142 ( 4.954 -0.000 -6.849) 8.453 9.157 ( -6.108 0.000 -3.388) 6.985 9.333 ( -3.357 0.000 -0.405) 3.381 9.388 ( 4.996 -0.000 2.769) 5.712 9.522 ( 3.195 -0.000 -3.667) 4.863 9.810 ( -1.498 0.000 -3.440) 3.752 10.227 ( 2.985 -0.000 9.602) 10.055 10.286 ( 1.093 -0.000 3.930) 4.079 10.493 ( -6.311 0.000 2.533) 6.800 10.785 ( 4.469 -0.000 -5.381) 6.995 11.018 ( 5.702 -0.000 2.562) 6.251 11.339 ( 4.744 -0.000 4.777) 6.732 11.357 ( -0.645 0.000 -1.255) 1.411 11.535 ( 0.692 -0.000 -3.898) 3.959 11.680 ( -6.600 0.000 1.482) 6.765 11.781 ( -8.628 0.000 -16.639) 18.742 12.163 ( -6.137 0.000 1.445) 6.305 12.504 ( -1.684 0.000 -0.980) 1.948 12.555 ( -3.416 0.000 -6.419) 7.271 12.635 ( 4.104 -0.000 13.549) 14.157 13.014 ( 3.164 -0.000 2.570) 4.076 13.079 ( 6.171 -0.000 -8.567) 10.558 13.394 ( -0.005 0.000 6.822) 6.822 13.424 ( 5.270 -0.000 -0.908) 5.348 13.584 ( 1.296 -0.000 0.889) 1.572 13.668 ( 0.324 -0.000 -1.399) 1.436 14.646 ( 1.078 -0.000 -0.981) 1.457 14.661 ( -0.603 0.000 -2.039) 2.126 14.884 ( 0.783 -0.000 6.535) 6.582 14.944 ( -2.064 0.000 -13.165) 13.326 15.095 ( 2.715 -0.000 -2.047) 3.400 15.239 ( 2.131 -0.000 -4.037) 4.565 15.965 ( 4.205 -0.000 14.008) 14.626 16.023 ( -7.000 0.000 -21.530) 22.640 16.488 ( 0.927 -0.000 -2.820) 2.969 16.519 ( 4.018 -0.000 0.379) 4.035 16.967 ( 0.414 -0.000 1.178) 1.248 17.023 ( 3.694 -0.000 -2.992) 4.753 17.195 ( 0.689 -0.000 6.376) 6.413 17.196 ( -5.671 0.000 -5.856) 8.152 19.772 ( -8.341 0.000 -1.694) 8.511 19.964 ( 1.586 -0.000 2.252) 2.755 20.974 ( -2.148 0.000 0.304) 2.169 21.128 ( 0.109 -0.000 3.560) 3.562 21.716 ( -1.242 0.000 5.076) 5.226 22.147 ( 0.832 -0.000 -3.613) 3.708 23.175 ( -0.754 0.000 1.067) 1.307 23.425 ( 1.779 -0.000 -1.832) 2.554 26.901 ( -0.134 0.000 0.154) 0.204 26.910 ( 0.068 -0.000 0.063) 0.092 29.481 ( -2.818 0.000 -0.748) 2.916 29.490 ( -1.112 0.000 -0.553) 1.242 30.447 ( 0.568 -0.000 13.135) 13.147 30.745 ( 3.450 -0.000 3.547) 4.948 30.756 ( 3.290 -0.000 0.864) 3.402 31.315 ( 2.215 -0.000 3.232) 3.918 31.368 ( 5.464 -0.000 3.003) 6.235 31.544 ( -2.371 0.000 -37.298) 37.373 31.923 ( -6.084 0.000 -2.722) 6.665 32.125 ( -3.107 0.000 -5.052) 5.931 32.526 ( 0.095 -0.000 -1.223) 1.226 33.185 ( 6.141 -0.000 -86.286) 86.505 33.431 ( 1.485 -0.000 2.500) 2.908 33.838 ( 5.679 -0.000 -4.642) 7.335 35.314 ( -1.103 0.000 1.665) 1.997 35.478 ( -1.440 0.000 -0.741) 1.620 35.545 ( -1.224 0.000 0.095) 1.227 35.912 ( 5.618 -0.000 -1.032) 5.712 36.103 ( -3.025 0.000 1.496) 3.375 36.301 ( 1.824 -0.000 4.917) 5.245 37.199 ( -0.931 0.000 87.565) 87.569 38.254 ( -4.822 0.000 -14.545) 15.324======================= Grid point 124 (56/114) =======================q-point: (-0.12 -0.25 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.864 ( -21.214 -21.158 -1.950) 30.025 1.075 ( -18.272 -34.944 3.146) 39.558 1.358 ( -37.980 -19.450 -2.819) 42.764 2.229 ( 3.794 -5.634 2.371) 7.194 2.344 ( 3.071 -12.581 -9.407) 16.007 2.508 ( -13.845 0.398 -3.998) 14.417 2.740 ( -3.122 3.485 3.099) 5.613 3.025 ( -0.311 11.201 -1.578) 11.316 3.308 ( -4.271 -0.108 -1.796) 4.634 3.544 ( 0.276 0.952 -2.426) 2.620 3.595 ( 4.456 4.155 -4.424) 7.530 3.685 ( 3.522 3.372 0.671) 4.921 3.812 ( 1.656 -0.020 0.202) 1.669 3.981 ( -2.151 0.287 0.149) 2.175 4.149 ( 8.637 6.007 -3.520) 11.094 4.445 ( 1.729 2.324 4.437) 5.299 4.515 ( -1.593 -0.364 7.566) 7.740 4.736 ( 9.991 -4.641 -1.834) 11.168 4.857 ( 4.245 0.714 5.790) 7.215 4.935 ( 3.063 -2.677 3.400) 5.302 5.076 ( 1.364 -1.382 -8.558) 8.775 5.187 ( 0.400 -5.841 -6.071) 8.434 5.256 ( 9.785 2.432 8.470) 13.168 5.334 ( 6.779 1.296 12.266) 14.075 5.574 ( -3.138 3.406 -0.168) 4.634 5.765 ( -1.926 -0.070 -3.983) 4.425 5.821 ( -2.544 -0.553 -3.438) 4.312 5.959 ( 2.704 -0.783 -3.109) 4.194 6.241 ( -1.903 3.595 2.500) 4.774 6.375 ( -0.031 -0.921 1.131) 1.459 7.814 ( -11.619 0.077 -1.897) 11.773 7.923 ( 3.508 5.068 4.945) 7.902 8.099 ( 1.859 1.661 4.256) 4.932 8.319 ( -5.023 2.223 2.173) 5.908 8.853 ( -2.419 1.207 -2.900) 3.964 8.957 ( 0.509 -3.891 0.314) 3.937 9.075 ( -4.198 2.380 -2.950) 5.656 9.174 ( 2.962 -2.311 -3.124) 4.886 9.286 ( -4.197 2.289 2.083) 5.215 9.446 ( 6.698 -0.336 0.950) 6.773 9.584 ( 5.908 -3.546 -2.651) 7.383 9.782 ( -4.944 -2.004 -5.465) 7.637 10.117 ( -6.062 12.700 2.902) 14.369 10.274 ( 2.122 4.598 3.680) 6.260 10.402 ( -7.855 4.676 1.263) 9.229 10.736 ( 7.310 7.307 -1.028) 10.386 11.151 ( 7.772 -5.004 4.635) 10.340 11.321 ( -1.808 2.853 0.615) 3.433 11.425 ( -0.991 -0.899 7.401) 7.521 11.518 ( -4.166 -0.496 -3.222) 5.290 11.555 ( -1.840 2.616 -8.813) 9.375 11.655 ( -6.461 0.511 -1.425) 6.636 12.077 ( -3.504 1.245 2.028) 4.235 12.431 ( -3.337 3.738 -0.616) 5.048 12.473 ( -1.880 1.532 -1.809) 3.026 12.651 ( 0.274 3.781 1.236) 3.987 12.996 ( 0.972 4.792 -3.456) 5.987 13.051 ( 6.089 2.019 -1.318) 6.549 13.351 ( -2.923 -1.376 4.251) 5.339 13.552 ( -0.174 2.075 -0.865) 2.255 13.631 ( 7.973 -6.834 4.499) 11.424 13.729 ( 1.370 -4.046 -1.435) 4.506 14.319 ( -13.762 11.506 -14.021) 22.768 14.628 ( 0.247 2.254 -0.003) 2.267 14.839 ( -3.076 -8.008 2.227) 8.862 15.154 ( 2.526 -8.996 2.427) 9.654 15.323 ( 2.139 -9.000 -3.734) 9.976 15.479 ( 8.493 -17.403 0.413) 19.369 15.857 ( -1.965 1.152 -13.046) 13.244 16.047 ( 1.785 4.291 7.092) 8.478 16.512 ( 4.087 3.989 0.276) 5.718 16.797 ( 21.851 -22.718 -8.661) 32.690 16.967 ( 1.484 -1.196 -0.882) 2.100 17.106 ( 3.743 -5.938 -3.026) 7.644 17.167 ( -4.581 -3.967 -3.408) 6.952 17.278 ( 0.115 -6.297 2.828) 6.904 19.738 ( -5.895 -3.449 -1.527) 6.999 19.992 ( 0.858 -2.250 -1.171) 2.677 20.843 ( -2.210 11.567 1.489) 11.870 21.073 ( 0.546 8.270 0.455) 8.300 21.829 ( -1.307 -8.687 8.615) 12.304 22.238 ( 1.255 -10.259 -3.344) 10.864 23.119 ( 0.343 5.213 4.074) 6.625 23.412 ( 3.070 3.177 -1.751) 4.752 26.986 ( -0.366 -9.985 0.092) 9.992 27.433 ( 28.821 -40.703 2.329) 49.928 29.292 ( -2.757 17.218 0.589) 17.447 29.362 ( -1.618 13.516 -2.148) 13.781 30.606 ( -1.346 -7.920 1.284) 8.136 30.754 ( -7.103 1.429 -0.588) 7.269 30.818 ( 2.238 -4.228 0.518) 4.812 30.973 ( -16.914 2.560 -27.788) 32.632 31.428 ( 4.232 -3.490 -6.574) 8.563 31.591 ( 7.411 -4.333 -0.081) 8.585 31.836 ( -2.803 3.464 -3.456) 5.639 32.007 ( -2.066 1.705 -18.080) 18.278 32.579 ( -3.206 -6.320 -7.954) 10.653 32.791 ( -8.421 -5.747 -29.008) 30.747 33.431 ( 0.946 2.376 1.423) 2.927 33.819 ( 5.110 3.955 -3.692) 7.442 35.330 ( -1.418 -1.383 1.671) 2.591 35.455 ( -1.416 0.502 0.941) 1.773 35.544 ( -1.255 -0.986 0.508) 1.675 35.922 ( 1.147 1.305 -1.751) 2.467 36.166 ( 1.047 -5.273 2.173) 5.798 36.322 ( -0.895 1.326 4.315) 4.602 37.458 ( -1.363 20.713 63.192) 66.514 38.114 ( 1.084 6.345 -10.666) 12.458======================= Grid point 132 (57/114) =======================q-point: (-0.12 -0.12 0.17)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.390 ( -21.717 0.000 9.402) 23.665 0.523 ( -20.089 0.000 21.871) 29.697 0.921 ( -43.755 0.000 22.921) 49.395 2.127 ( -14.210 0.000 5.802) 15.349 2.289 ( 10.456 -0.000 2.356) 10.718 2.429 ( 0.492 -0.000 -6.487) 6.506 2.795 ( -1.819 0.000 2.929) 3.448 3.154 ( 1.233 -0.000 -1.118) 1.665 3.275 ( -3.110 0.000 1.834) 3.611 3.509 ( -0.400 0.000 -4.321) 4.339 3.673 ( 6.453 -0.000 -2.463) 6.907 3.684 ( -0.735 0.000 -11.844) 11.866 3.816 ( 0.361 -0.000 -1.620) 1.660 3.954 ( -3.524 0.000 -0.837) 3.622 4.239 ( 6.087 -0.000 -5.913) 8.486 4.509 ( 0.170 -0.000 0.901) 0.917 4.514 ( -2.947 0.000 8.311) 8.819 4.689 ( 3.454 -0.000 -2.776) 4.431 4.856 ( -2.879 0.000 -10.377) 10.769 4.936 ( 5.395 -0.000 8.788) 10.312 5.024 ( 3.542 -0.000 -15.294) 15.699 5.324 ( 19.107 -0.000 24.117) 30.769 5.381 ( 3.974 -0.000 4.785) 6.220 5.480 ( -1.443 0.000 1.285) 1.932 5.561 ( 0.505 -0.000 1.447) 1.533 5.753 ( 6.207 -0.000 -3.700) 7.226 5.786 ( -1.712 0.000 6.433) 6.657 5.959 ( 1.857 -0.000 -1.193) 2.207 6.293 ( -0.230 0.000 3.113) 3.121 6.337 ( -2.387 0.000 -0.317) 2.407 7.715 ( -10.693 0.000 -1.449) 10.791 8.059 ( 1.248 -0.000 0.573) 1.374 8.107 ( 0.595 -0.000 1.604) 1.710 8.441 ( -0.138 0.000 -5.314) 5.316 8.877 ( 3.410 -0.000 11.259) 11.764 8.906 ( 1.691 -0.000 0.641) 1.808 9.057 ( -2.713 0.000 -1.111) 2.932 9.158 ( 3.324 -0.000 -1.393) 3.604 9.298 ( -3.254 0.000 5.000) 5.966 9.509 ( 8.575 -0.000 2.387) 8.901 9.575 ( 6.518 -0.000 -2.049) 6.833 9.711 ( -3.580 0.000 0.259) 3.589 10.224 ( -12.169 0.000 -15.563) 19.755 10.311 ( -1.008 0.000 -2.644) 2.829 10.409 ( -7.256 0.000 4.804) 8.702 10.917 ( 12.625 -0.000 4.474) 13.395 11.136 ( 6.498 -0.000 0.314) 6.506 11.366 ( -0.693 0.000 4.257) 4.313 11.421 ( -2.239 0.000 -4.344) 4.887 11.526 ( 2.775 -0.000 2.102) 3.481 11.594 ( -6.433 0.000 0.854) 6.489 11.600 ( 6.555 -0.000 15.042) 16.408 12.080 ( -4.101 0.000 -1.096) 4.245 12.451 ( -0.464 0.000 -3.615) 3.645 12.469 ( -0.727 0.000 -1.396) 1.574 12.869 ( 1.933 -0.000 4.180) 4.605 13.035 ( 2.640 -0.000 -12.752) 13.022 13.056 ( 0.530 -0.000 -0.400) 0.664 13.386 ( -11.411 0.000 -1.821) 11.556 13.506 ( 5.456 -0.000 -0.929) 5.535 13.631 ( 3.689 -0.000 3.455) 5.054 13.672 ( 1.482 -0.000 -0.808) 1.688 14.305 ( -22.054 0.000 -29.935) 37.182 14.654 ( 1.033 -0.000 -0.748) 1.275 14.709 ( -1.036 0.000 -4.602) 4.717 14.935 ( -0.834 0.000 1.971) 2.140 15.047 ( -2.181 0.000 -0.728) 2.299 15.257 ( 3.519 -0.000 -1.004) 3.659 15.588 ( -14.325 0.000 -12.300) 18.881 16.158 ( -0.285 0.000 5.222) 5.229 16.463 ( 0.629 -0.000 1.262) 1.411 16.576 ( 2.933 -0.000 -0.099) 2.935 17.000 ( 1.535 -0.000 1.434) 2.101 17.047 ( 3.989 -0.000 -3.596) 5.371 17.085 ( -2.137 0.000 -0.912) 2.324 17.261 ( -2.145 0.000 6.655) 6.992 19.649 ( -4.826 0.000 -1.508) 5.056 19.997 ( -0.775 0.000 0.916) 1.201 20.952 ( -1.348 0.000 0.681) 1.510 21.177 ( 1.573 -0.000 0.177) 1.583 21.863 ( 8.074 -0.000 16.693) 18.543 22.130 ( 1.712 -0.000 -2.744) 3.235 23.188 ( -0.685 0.000 2.784) 2.867 23.433 ( 1.684 -0.000 -1.676) 2.376 26.900 ( -0.136 0.000 0.002) 0.136 26.911 ( 0.052 -0.000 0.002) 0.052 29.466 ( -2.324 0.000 -1.930) 3.021 29.480 ( -0.551 0.000 1.179) 1.302 30.340 ( -48.362 0.000 -73.499) 87.983 30.525 ( -4.162 0.000 6.197) 7.465 30.797 ( 1.122 -0.000 -0.993) 1.498 30.805 ( -0.242 0.000 2.123) 2.137 31.394 ( 0.559 -0.000 4.954) 4.986 31.450 ( 2.877 -0.000 -1.204) 3.118 31.822 ( -3.302 0.000 -0.727) 3.381 32.019 ( -4.167 0.000 -3.145) 5.221 32.425 ( -11.794 0.000 -16.762) 20.495 32.525 ( 0.227 -0.000 0.627) 0.667 33.463 ( 0.362 -0.000 0.534) 0.645 33.872 ( 4.499 -0.000 -3.301) 5.580 35.317 ( -1.134 0.000 2.053) 2.345 35.458 ( -0.358 0.000 -0.280) 0.454 35.528 ( -1.450 0.000 0.447) 1.517 35.972 ( 3.999 -0.000 -2.067) 4.501 36.078 ( -1.291 0.000 -0.201) 1.306 36.344 ( -1.395 0.000 1.415) 1.987 38.100 ( 3.410 -0.000 -9.449) 10.045 38.423 ( 33.458 -0.000 52.149) 61.960======================= Grid point 133 (58/114) =======================q-point: ( 0.00 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.202 ( 12.387 -0.000 28.504) 31.080 1.358 ( -2.561 0.000 23.783) 23.921 2.087 ( -0.459 0.000 -1.956) 2.009 2.102 ( 6.012 -0.000 36.806) 37.294 2.594 ( -7.479 0.000 -3.533) 8.272 2.754 ( 7.639 -0.000 7.028) 10.380 2.808 ( 4.453 -0.000 5.739) 7.264 2.872 ( -0.930 0.000 -20.201) 20.223 3.000 ( -1.534 0.000 -10.268) 10.382 3.246 ( 3.197 -0.000 -7.017) 7.711 3.457 ( 3.429 -0.000 0.235) 3.437 3.556 ( -3.427 0.000 -9.864) 10.442 3.869 ( 5.535 -0.000 6.372) 8.441 4.048 ( -7.822 0.000 -2.132) 8.108 4.054 ( 0.911 -0.000 5.457) 5.533 4.302 ( 1.483 -0.000 -1.900) 2.410 4.570 ( 1.664 -0.000 -4.952) 5.224 4.643 ( -9.165 0.000 1.641) 9.311 4.756 ( 6.192 -0.000 -2.180) 6.565 4.894 ( 0.801 -0.000 3.425) 3.517 4.946 ( -4.589 0.000 -5.134) 6.886 5.245 ( 1.924 -0.000 -9.386) 9.581 5.377 ( -8.277 0.000 5.917) 10.175 5.549 ( 2.099 -0.000 7.254) 7.552 5.812 ( -0.278 0.000 5.332) 5.339 5.900 ( 9.669 -0.000 0.325) 9.674 6.001 ( -4.287 0.000 -2.935) 5.196 6.064 ( 1.101 -0.000 -0.242) 1.127 6.270 ( -6.025 0.000 0.415) 6.039 6.331 ( 0.825 -0.000 -1.257) 1.503 7.746 ( 5.231 -0.000 4.446) 6.865 7.861 ( -7.195 0.000 -3.049) 7.815 8.040 ( -0.824 0.000 0.291) 0.874 8.192 ( -1.794 0.000 -2.315) 2.929 9.007 ( 4.636 -0.000 3.497) 5.808 9.108 ( -3.216 0.000 3.384) 4.668 9.141 ( 7.728 -0.000 1.338) 7.843 9.163 ( -3.289 0.000 -1.157) 3.487 9.486 ( -3.776 0.000 3.952) 5.466 9.530 ( 0.044 -0.000 -1.798) 1.799 9.652 ( 11.309 -0.000 1.021) 11.355 9.787 ( -9.310 0.000 -5.204) 10.666 9.903 ( 3.855 -0.000 3.063) 4.924 10.083 ( -5.355 0.000 -5.484) 7.665 10.489 ( -5.638 0.000 4.688) 7.332 10.697 ( 0.967 -0.000 -6.766) 6.835 11.199 ( 2.719 -0.000 0.864) 2.853 11.290 ( -6.713 0.000 -2.282) 7.090 11.409 ( -8.457 0.000 -0.620) 8.480 11.466 ( 7.613 -0.000 -3.844) 8.528 11.671 ( 2.983 -0.000 7.667) 8.227 11.857 ( -2.104 0.000 -1.885) 2.825 12.454 ( 2.122 -0.000 6.950) 7.267 12.457 ( 0.740 -0.000 1.945) 2.081 12.543 ( 7.708 -0.000 2.018) 7.968 12.577 ( -0.325 0.000 6.814) 6.822 12.794 ( 5.944 -0.000 -10.218) 11.821 12.911 ( -3.332 0.000 -6.544) 7.343 13.472 ( -1.153 0.000 -0.426) 1.229 13.477 ( 0.061 -0.000 -2.601) 2.601 13.666 ( -3.458 0.000 2.916) 4.523 13.722 ( 1.788 -0.000 1.611) 2.407 14.581 ( 0.027 -0.000 -2.863) 2.863 14.607 ( 1.043 -0.000 -2.335) 2.557 14.919 ( 12.004 -0.000 1.418) 12.087 14.931 ( -2.006 0.000 1.479) 2.492 15.186 ( 2.738 -0.000 4.807) 5.532 15.334 ( 0.552 -0.000 -0.742) 0.925 15.606 ( 22.334 -0.000 2.596) 22.485 15.837 ( -18.697 0.000 -7.481) 20.138 16.647 ( 0.080 -0.000 2.830) 2.831 16.665 ( 2.313 -0.000 1.593) 2.809 16.968 ( -2.381 0.000 -0.250) 2.394 17.005 ( 1.812 -0.000 -1.717) 2.496 17.235 ( 6.656 -0.000 4.650) 8.119 17.337 ( -7.066 0.000 1.338) 7.191 19.601 ( 3.012 -0.000 0.665) 3.084 19.778 ( -5.046 0.000 -7.092) 8.704 20.986 ( -0.252 0.000 2.133) 2.148 21.092 ( -0.920 0.000 -2.348) 2.521 22.013 ( -6.163 0.000 1.641) 6.378 22.097 ( 4.612 -0.000 -2.188) 5.104 23.230 ( -2.244 0.000 2.897) 3.664 23.378 ( 2.017 -0.000 -3.314) 3.880 26.903 ( -0.046 0.000 0.181) 0.187 26.910 ( -0.020 0.000 -0.093) 0.095 29.435 ( 4.997 -0.000 3.913) 6.347 29.532 ( -1.769 0.000 0.642) 1.882 30.530 ( -9.140 0.000 3.988) 9.972 30.727 ( 0.197 -0.000 -3.587) 3.593 30.792 ( -6.616 0.000 0.911) 6.678 30.964 ( 34.865 -0.000 -6.389) 35.446 31.437 ( -13.392 0.000 2.119) 13.558 31.466 ( 27.630 -0.000 0.281) 27.632 31.902 ( 3.995 -0.000 2.814) 4.886 31.955 ( -3.221 0.000 0.099) 3.223 32.481 ( 6.000 -0.000 5.210) 7.946 32.591 ( 0.119 -0.000 1.337) 1.342 33.464 ( -3.158 0.000 2.813) 4.229 33.782 ( 5.039 -0.000 -7.954) 9.416 35.390 ( -2.099 0.000 3.137) 3.774 35.456 ( 2.283 -0.000 -0.365) 2.312 35.594 ( -2.282 0.000 5.654) 6.097 35.873 ( 1.108 -0.000 -6.055) 6.155 36.045 ( -0.299 0.000 0.374) 0.479 36.195 ( -4.511 0.000 -5.330) 6.983 38.136 ( 21.677 -0.000 -0.767) 21.691 38.141 ( -42.541 0.000 -0.405) 42.543======================= Grid point 134 (59/114) =======================q-point: ( 0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.464 ( 9.004 -3.350 18.695) 21.019 1.582 ( 3.769 -7.208 20.893) 22.420 2.042 ( 8.057 3.295 -5.010) 10.044 2.357 ( 6.060 9.129 -11.831) 16.125 2.524 ( 5.841 -7.756 22.537) 24.539 2.619 ( -8.302 -3.170 2.355) 9.194 2.784 ( 5.799 -4.156 0.779) 7.177 3.035 ( 4.685 -4.923 -1.126) 6.889 3.245 ( -2.411 -19.947 -8.210) 21.705 3.282 ( 2.593 -4.146 -5.481) 7.345 3.455 ( -4.419 -0.425 -8.610) 9.687 3.511 ( 3.182 -3.848 -3.151) 5.905 3.867 ( 1.019 7.088 5.463) 9.006 3.899 ( -8.156 3.927 -4.260) 10.004 4.132 ( 3.767 -0.688 7.777) 8.669 4.301 ( 1.682 3.406 1.550) 4.103 4.536 ( -7.116 2.399 1.589) 7.675 4.578 ( -1.920 -0.590 -2.328) 3.075 4.781 ( -1.907 1.521 0.440) 2.479 4.856 ( -1.077 -1.132 -2.823) 3.227 4.916 ( -1.149 1.679 0.526) 2.101 5.106 ( -0.532 6.044 -10.008) 11.704 5.421 ( -5.023 -3.480 7.004) 9.296 5.644 ( 2.167 -4.157 2.760) 5.440 5.783 ( 2.188 4.894 5.135) 7.423 5.886 ( -2.082 5.875 2.124) 6.585 5.908 ( -2.586 3.427 -4.040) 5.895 6.079 ( 3.006 0.574 -2.055) 3.686 6.239 ( -2.270 0.317 1.643) 2.820 6.288 ( -1.051 3.611 -1.908) 4.217 7.817 ( -1.892 -0.713 0.024) 2.022 7.826 ( 4.512 -1.293 2.034) 5.115 8.056 ( 2.430 0.491 3.065) 3.942 8.161 ( 0.004 -0.149 -4.211) 4.213 8.970 ( -1.425 6.568 2.679) 7.235 9.060 ( -2.963 5.701 -3.598) 7.363 9.117 ( 1.018 0.724 2.008) 2.365 9.197 ( 6.825 1.745 0.536) 7.065 9.477 ( -2.377 0.160 2.870) 3.730 9.563 ( 1.364 -3.505 0.597) 3.808 9.635 ( -10.992 3.140 -4.861) 12.422 9.771 ( 11.097 -0.660 1.276) 11.189 9.995 ( 6.292 -2.773 4.633) 8.291 10.036 ( -6.908 -3.587 -4.404) 8.943 10.438 ( -3.328 4.352 4.370) 7.008 10.647 ( 4.149 4.414 -3.356) 6.925 11.192 ( -7.228 0.910 -0.084) 7.286 11.245 ( -4.162 -2.190 0.275) 4.711 11.324 ( 3.811 4.829 0.875) 6.213 11.497 ( 7.570 0.930 -3.107) 8.235 11.775 ( 3.123 -3.341 5.680) 7.293 11.832 ( -1.299 -0.633 -1.540) 2.111 12.376 ( -1.330 6.854 5.921) 9.155 12.485 ( 2.363 4.058 1.381) 4.895 12.509 ( 1.692 5.558 2.864) 6.477 12.596 ( 0.390 2.527 -2.256) 3.410 12.780 ( 2.643 -0.052 -3.587) 4.456 12.877 ( -2.523 -2.223 -7.292) 8.030 13.403 ( -5.378 1.841 1.023) 5.775 13.524 ( 2.986 -2.230 -2.307) 4.383 13.722 ( -0.856 -6.245 3.941) 7.434 13.758 ( -1.800 -2.990 1.216) 3.696 14.551 ( -2.919 3.839 -3.518) 5.970 14.570 ( 6.127 3.711 -0.006) 7.163 14.959 ( 0.491 -7.234 4.568) 8.570 15.045 ( -3.148 -7.429 -3.629) 8.847 15.314 ( -3.601 -7.388 0.527) 8.236 15.446 ( 4.176 -11.024 -2.176) 11.987 15.664 ( -11.563 -2.120 -2.554) 12.030 15.898 ( 14.961 -8.045 -4.163) 17.489 16.589 ( -1.600 5.336 2.736) 6.206 16.670 ( -1.260 0.975 -2.456) 2.927 16.955 ( -1.906 -0.738 0.337) 2.072 17.024 ( 2.045 -1.861 -2.015) 3.422 17.315 ( -5.459 -2.525 0.624) 6.047 17.340 ( 4.692 -2.836 3.976) 6.772 19.661 ( 5.099 -2.119 1.425) 5.702 19.736 ( -0.242 -3.030 -6.391) 7.077 20.895 ( -1.020 9.722 3.236) 10.297 21.012 ( 0.799 7.173 -2.662) 7.693 22.069 ( -6.557 -9.721 2.550) 12.000 22.217 ( 4.075 -9.749 -1.977) 10.750 23.170 ( -2.410 6.349 3.843) 7.803 23.340 ( 2.574 4.109 -3.688) 6.092 27.008 ( 0.077 -11.395 1.469) 11.490 27.094 ( -1.855 -18.985 -5.480) 19.847 29.317 ( -1.598 17.099 1.175) 17.213 29.379 ( 5.194 14.759 0.874) 15.671 30.597 ( -5.704 -10.247 5.249) 12.848 30.742 ( -1.686 -4.213 -3.260) 5.588 30.786 ( -9.684 -5.607 0.448) 11.199 31.086 ( 6.015 -3.015 -5.683) 8.807 31.374 ( -9.079 -2.059 -1.397) 9.414 31.728 ( 26.118 3.601 -2.735) 26.506 31.848 ( -2.628 7.995 0.315) 8.421 31.968 ( 19.734 -2.284 -2.995) 20.090 32.631 ( 10.602 -5.695 2.439) 12.279 32.676 ( 0.498 -8.057 -0.825) 8.115 33.439 ( -4.115 1.848 4.207) 6.168 33.745 ( 4.416 3.021 -8.341) 9.909 35.396 ( -2.343 -0.812 2.510) 3.528 35.472 ( 1.825 -0.187 -0.201) 1.845 35.632 ( -2.644 -2.171 6.691) 7.515 35.832 ( 0.478 0.926 -3.033) 3.207 36.115 ( -1.615 -4.069 -2.024) 4.823 36.145 ( -1.076 -3.560 -3.809) 5.323 37.691 ( -39.993 12.782 8.793) 42.897 38.223 ( 20.128 9.001 0.411) 22.052======================= Grid point 135 (60/114) =======================q-point: ( 0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.684 ( 2.586 -9.015 7.453) 11.979 1.842 ( 3.932 -9.023 12.592) 15.982 2.073 ( 10.347 -4.345 -8.551) 14.109 2.236 ( 9.921 3.234 -6.093) 12.084 2.663 ( -0.564 -2.700 5.977) 6.582 2.773 ( 2.294 -4.137 5.119) 6.970 3.029 ( 0.790 0.239 -4.538) 4.612 3.063 ( 2.003 -11.116 -5.223) 12.444 3.310 ( -1.095 -2.713 3.013) 4.200 3.452 ( -0.210 -10.029 -4.664) 11.063 3.520 ( 1.981 -5.680 0.046) 6.016 3.573 ( -2.898 -5.566 -8.206) 10.330 3.730 ( -0.930 5.600 2.331) 6.137 3.788 ( -1.285 5.355 0.334) 5.517 4.181 ( -4.321 4.222 -4.151) 7.330 4.232 ( 8.870 1.063 4.842) 10.161 4.474 ( -5.488 2.198 5.032) 7.763 4.564 ( 1.579 2.447 3.414) 4.488 4.683 ( -12.625 0.744 -2.357) 12.865 4.861 ( -2.589 -1.554 1.593) 3.414 4.925 ( 3.038 -1.263 -3.615) 4.888 5.029 ( 3.145 -1.614 -2.658) 4.423 5.396 ( -8.772 3.227 0.761) 9.378 5.689 ( -5.551 3.657 2.204) 7.003 5.709 ( 5.222 6.807 -1.716) 8.749 5.792 ( -1.801 3.302 5.030) 6.281 5.881 ( 3.495 -2.846 -0.777) 4.573 6.025 ( 5.716 5.036 -3.549) 8.404 6.184 ( -6.262 0.990 -1.087) 6.432 6.252 ( -0.231 1.688 3.630) 4.010 7.803 ( -1.611 -0.023 -1.268) 2.051 7.912 ( 6.928 -0.726 2.790) 7.504 8.063 ( -0.706 0.919 0.787) 1.401 8.161 ( 1.270 -1.290 -2.933) 3.447 8.864 ( -1.457 3.662 2.792) 4.830 8.920 ( -2.396 4.183 -4.029) 6.282 9.114 ( 2.782 2.599 1.899) 4.255 9.180 ( 4.952 4.911 -0.287) 6.980 9.460 ( -3.593 2.438 -0.843) 4.423 9.483 ( -4.720 3.654 0.908) 6.037 9.652 ( 2.856 -3.736 1.384) 4.902 9.809 ( 7.545 3.840 -2.737) 8.897 10.054 ( -7.288 -5.537 -3.770) 9.899 10.117 ( 2.331 -3.491 5.389) 6.830 10.344 ( -1.327 6.835 4.946) 8.541 10.574 ( 5.605 6.195 -2.693) 8.777 11.149 ( -4.741 -1.694 1.073) 5.147 11.250 ( -2.524 -0.542 3.168) 4.086 11.333 ( 5.920 0.223 2.344) 6.371 11.517 ( 6.433 0.916 -3.636) 7.446 11.807 ( -3.312 -0.759 -0.963) 3.532 11.912 ( 6.092 -3.363 2.171) 7.290 12.285 ( -3.190 3.304 2.326) 5.149 12.379 ( 0.181 6.524 -0.941) 6.594 12.454 ( 1.273 4.808 1.539) 5.206 12.506 ( -1.188 2.771 -4.885) 5.741 12.785 ( -0.302 1.729 1.099) 2.071 12.839 ( -2.670 -0.266 -4.221) 5.001 13.358 ( -4.358 -0.376 1.312) 4.567 13.558 ( 4.983 -0.356 -1.011) 5.097 13.805 ( -8.637 -6.337 -1.674) 10.842 13.900 ( 1.691 -8.016 5.311) 9.763 14.403 ( -5.202 4.156 -6.679) 9.431 14.519 ( 7.514 8.336 1.799) 11.366 15.131 ( -2.207 -8.823 1.148) 9.167 15.164 ( 0.550 -6.882 0.960) 6.970 15.422 ( -4.358 -8.491 0.734) 9.572 15.591 ( -6.717 -6.315 -4.565) 10.287 15.709 ( 0.882 -6.697 0.474) 6.771 16.071 ( 11.368 -3.867 0.287) 12.011 16.508 ( -2.945 2.402 3.794) 5.370 16.599 ( -5.926 0.962 -7.177) 9.357 16.971 ( -1.191 -1.978 0.044) 2.309 17.088 ( 3.394 -4.211 -2.054) 5.786 17.322 ( -4.400 -1.906 0.212) 4.799 17.433 ( 3.071 -1.765 2.764) 4.493 19.760 ( 4.315 -4.241 1.080) 6.146 19.823 ( 3.982 -8.648 -5.494) 10.993 20.705 ( -2.086 12.109 3.730) 12.842 20.842 ( 1.927 10.633 -3.006) 11.217 22.249 ( -5.729 -13.354 3.001) 14.837 22.435 ( 2.999 -12.112 -2.228) 12.676 23.036 ( -3.093 8.654 4.806) 10.371 23.239 ( 3.515 7.441 -3.442) 8.920 27.314 ( 0.514 -20.192 5.095) 20.831 27.405 ( -3.682 -22.066 -8.456) 23.916 28.916 ( -5.405 22.126 -2.147) 22.878 29.141 ( 11.046 20.022 1.749) 22.934 30.751 ( -2.168 -6.182 2.666) 7.073 30.808 ( -2.387 -6.153 -1.634) 6.799 30.874 ( -14.479 -15.267 -0.615) 21.050 31.181 ( 3.024 -5.428 0.708) 6.254 31.335 ( -4.765 -0.409 -1.963) 5.169 31.672 ( -0.869 9.774 0.388) 9.820 31.691 ( 4.148 7.977 -1.753) 9.160 32.175 ( 27.941 -0.398 -10.573) 29.877 32.810 ( 6.007 -6.705 -1.367) 9.105 32.856 ( 5.239 -9.376 -0.287) 10.745 33.383 ( -5.329 3.510 5.137) 8.192 33.654 ( 3.203 5.392 -7.295) 9.620 35.409 ( -2.575 -1.320 1.876) 3.449 35.492 ( 1.124 -0.933 -0.385) 1.511 35.691 ( -3.341 -2.224 6.927) 8.006 35.826 ( 1.330 -0.291 -0.304) 1.395 36.113 ( -2.860 -2.032 1.321) 3.749 36.272 ( 1.324 -8.542 -4.308) 9.658 37.279 ( -29.363 8.713 10.350) 32.330 38.126 ( 16.620 16.804 -1.584) 23.687======================= Grid point 136 (61/114) =======================q-point: ( 0.38 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.900 ( -2.999 -10.103 -2.172) 10.760 2.090 ( 4.439 -9.522 4.643) 11.486 2.205 ( 3.120 -4.140 -8.992) 10.379 2.303 ( 9.286 -8.112 0.170) 12.331 2.648 ( -5.827 4.721 -6.246) 9.760 2.802 ( 3.505 1.309 7.592) 8.464 3.014 ( -2.735 -1.908 -5.773) 6.667 3.189 ( 5.864 -3.290 5.922) 8.960 3.364 ( -3.645 -2.110 -5.582) 6.992 3.471 ( -0.261 1.578 -0.992) 1.883 3.510 ( -3.919 2.941 1.041) 5.010 3.653 ( -0.279 1.134 -0.068) 1.169 3.717 ( 10.244 -1.375 -4.893) 11.436 3.770 ( 3.878 -1.573 1.924) 4.606 4.024 ( -5.364 5.976 -3.221) 8.652 4.323 ( 5.354 -0.243 -1.173) 5.487 4.435 ( 0.909 -1.980 0.850) 2.339 4.521 ( -10.868 3.273 -3.213) 11.796 4.590 ( 0.814 2.411 11.592) 11.868 4.878 ( -0.326 -0.216 -3.088) 3.113 4.922 ( -3.048 0.863 -5.937) 6.729 5.113 ( 2.781 -2.654 6.238) 7.327 5.273 ( -6.576 0.563 -1.513) 6.771 5.534 ( -2.143 6.532 2.406) 7.283 5.679 ( 0.983 -0.670 2.082) 2.397 5.748 ( -1.773 2.042 -3.141) 4.145 5.944 ( 3.655 -1.712 -0.218) 4.042 6.035 ( 2.550 -0.902 -1.783) 3.240 6.148 ( -0.795 0.445 5.050) 5.132 6.223 ( -1.735 1.224 1.023) 2.357 7.780 ( -1.533 -0.035 -2.476) 2.912 7.930 ( -0.384 1.762 -2.096) 2.765 8.042 ( -4.128 -0.245 0.780) 4.208 8.228 ( 7.620 -3.374 2.113) 8.597 8.831 ( -1.345 0.990 -1.220) 2.068 8.881 ( 1.226 -1.365 2.011) 2.722 9.102 ( 2.842 1.970 2.106) 4.049 9.123 ( 3.040 3.859 -0.513) 4.940 9.354 ( -1.872 3.838 -0.205) 4.276 9.425 ( -0.820 3.762 1.630) 4.181 9.710 ( 2.474 0.549 -2.889) 3.843 9.801 ( 3.672 -1.411 1.287) 4.139 10.004 ( -7.434 2.218 -6.278) 9.980 10.200 ( -0.637 -1.725 3.555) 4.002 10.259 ( -2.162 3.392 4.581) 6.097 10.476 ( 5.152 7.058 -4.246) 9.715 11.172 ( -3.151 -1.788 3.649) 5.143 11.283 ( 1.153 -1.903 3.196) 3.895 11.397 ( 3.084 -1.242 2.999) 4.478 11.515 ( 4.783 1.950 -3.106) 6.027 11.754 ( -4.426 2.307 -2.734) 5.691 11.982 ( 4.074 2.464 -1.952) 5.146 12.265 ( 0.122 -1.658 0.548) 1.751 12.308 ( 0.287 -0.079 -0.558) 0.633 12.387 ( -1.748 1.710 -0.178) 2.452 12.482 ( 0.950 -2.848 -1.141) 3.212 12.705 ( -1.919 4.369 0.464) 4.794 12.796 ( -0.024 4.967 0.294) 4.976 13.377 ( -1.882 -3.901 2.651) 5.078 13.637 ( 6.128 -3.500 0.006) 7.057 13.814 ( -11.398 -4.976 -4.303) 13.160 13.947 ( -3.107 5.270 0.787) 6.168 14.303 ( -0.425 3.150 -6.135) 6.910 14.488 ( 5.102 -1.564 3.557) 6.413 15.216 ( -3.778 -5.304 -2.273) 6.898 15.313 ( 0.300 -5.207 6.241) 8.133 15.440 ( -3.273 2.531 -4.142) 5.855 15.629 ( 2.292 -1.516 3.101) 4.143 15.828 ( -1.220 -6.918 0.742) 7.063 16.229 ( 6.144 -3.979 0.924) 7.378 16.449 ( -8.140 4.753 -7.353) 11.955 16.555 ( 1.932 -5.116 4.341) 6.982 16.998 ( -0.891 -2.180 -1.186) 2.637 17.181 ( 3.179 -3.702 -1.145) 5.012 17.315 ( -3.238 -0.401 0.755) 3.349 17.482 ( 0.972 -0.890 1.525) 2.016 19.893 ( 2.513 -7.301 0.584) 7.743 20.015 ( 5.320 -10.986 -4.338) 12.954 20.491 ( -3.191 11.394 3.249) 12.270 20.649 ( 2.071 10.508 -3.162) 11.167 22.469 ( -4.224 -13.462 3.095) 14.445 22.634 ( 1.727 -8.229 -2.021) 8.648 22.887 ( -2.818 7.102 4.013) 8.630 23.095 ( 3.581 9.826 -2.718) 10.805 27.712 ( -3.434 -21.542 -4.942) 22.367 27.764 ( -0.029 -24.048 6.167) 24.826 28.462 ( -4.298 23.244 -2.130) 23.734 28.879 ( 12.600 19.500 -0.488) 23.222 30.850 ( -4.488 -7.509 1.361) 8.853 30.896 ( -4.322 -6.464 -0.204) 7.778 31.036 ( -6.806 -11.738 -2.316) 13.765 31.255 ( -0.300 0.288 -0.713) 0.826 31.325 ( 1.252 0.168 1.622) 2.056 31.528 ( -5.872 5.164 -0.406) 7.830 31.536 ( 3.212 7.880 -0.782) 8.546 32.256 ( 21.730 5.235 -11.975) 25.358 32.948 ( 3.557 -4.969 -0.501) 6.132 33.063 ( 5.383 -9.670 -1.006) 11.113 33.290 ( -6.423 4.646 4.104) 8.927 33.528 ( 1.399 6.634 -4.851) 8.336 35.423 ( -2.471 -1.226 1.577) 3.177 35.513 ( 0.458 -0.899 -0.523) 1.137 35.724 ( -3.001 -0.135 5.977) 6.689 35.854 ( 1.677 -1.252 0.720) 2.213 36.170 ( -4.192 -4.462 6.547) 8.963 36.375 ( -1.075 -3.625 -0.418) 3.804 37.088 ( -14.855 -2.755 2.913) 15.387 37.896 ( 12.163 18.523 -4.267) 22.567======================= Grid point 137 (62/114) =======================q-point: (-0.50 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.856 ( -11.533 4.464 -5.992) 13.742 2.151 ( -2.788 10.734 2.565) 11.383 2.237 ( -0.025 -5.705 -9.177) 10.806 2.485 ( 3.684 -2.402 2.223) 4.928 2.644 ( -2.616 -11.748 -3.684) 12.587 2.775 ( 2.982 4.528 1.951) 5.762 3.010 ( -1.788 0.570 -0.352) 1.909 3.223 ( -4.314 5.098 -1.100) 6.769 3.374 ( 1.832 -4.586 -3.700) 6.171 3.426 ( 2.483 3.460 1.100) 4.399 3.446 ( 4.446 7.552 10.675) 13.811 3.594 ( 5.077 5.844 -6.360) 10.019 3.677 ( -1.571 9.322 1.276) 9.539 3.846 ( -1.041 -0.462 -4.221) 4.372 3.946 ( 9.190 -4.144 6.180) 11.825 4.296 ( -4.044 -2.811 -9.161) 10.401 4.349 ( -7.832 2.825 -2.221) 8.617 4.587 ( 5.509 -6.142 3.263) 8.872 4.654 ( 3.432 0.946 7.037) 7.886 4.849 ( 0.182 -0.120 1.057) 1.079 4.862 ( 1.862 -0.618 -3.699) 4.187 5.186 ( 3.873 -0.076 3.784) 5.415 5.249 ( -6.871 -4.565 -6.986) 10.810 5.490 ( -2.593 -0.146 4.463) 5.164 5.693 ( 1.193 1.116 -4.505) 4.792 5.744 ( 0.927 -1.994 4.237) 4.774 5.957 ( -6.720 0.044 -0.003) 6.721 6.043 ( 3.206 0.711 -1.450) 3.590 6.109 ( -1.797 4.891 4.532) 6.906 6.291 ( 4.963 -5.154 -0.431) 7.168 7.751 ( -3.390 -0.463 -2.907) 4.490 7.890 ( -1.532 -0.382 -2.109) 2.635 8.024 ( -3.752 -0.856 1.351) 4.078 8.348 ( 6.264 -1.049 1.549) 6.538 8.834 ( -0.286 -1.973 1.036) 2.247 8.908 ( 0.565 0.436 0.221) 0.747 9.097 ( 0.568 0.319 -1.554) 1.685 9.130 ( 2.193 -1.144 3.982) 4.687 9.303 ( 0.837 2.211 0.774) 2.488 9.369 ( -1.470 0.994 0.129) 1.779 9.700 ( 2.519 2.999 1.125) 4.075 9.853 ( -3.319 1.357 -6.899) 7.775 9.881 ( 0.804 -2.969 0.206) 3.083 10.168 ( 1.349 5.583 3.192) 6.571 10.275 ( -5.164 -4.327 1.797) 6.973 10.383 ( 3.058 3.146 -3.670) 5.720 11.191 ( -4.549 -1.134 4.555) 6.537 11.345 ( 0.797 -1.860 1.855) 2.745 11.437 ( -0.410 1.056 3.853) 4.016 11.505 ( 5.136 0.708 -1.559) 5.414 11.654 ( -2.231 3.450 -3.790) 5.589 11.875 ( -0.774 6.621 -2.509) 7.122 12.302 ( 2.566 2.515 0.543) 3.634 12.350 ( 3.460 -4.505 0.288) 5.688 12.380 ( -3.279 -2.935 -1.947) 4.812 12.600 ( 0.522 -2.338 0.055) 2.397 12.633 ( 1.423 3.540 1.650) 4.156 12.711 ( 0.307 -2.229 -0.207) 2.259 13.482 ( 1.348 -4.206 4.600) 6.377 13.718 ( 1.428 0.365 -3.060) 3.396 13.781 ( -5.315 -2.293 -1.933) 6.103 13.790 ( -2.419 5.526 -0.834) 6.090 14.184 ( -2.248 5.500 -1.885) 6.233 14.611 ( 0.697 -4.696 -0.202) 4.752 15.247 ( -1.295 3.909 -3.757) 5.574 15.287 ( -2.845 -3.117 0.189) 4.224 15.481 ( 3.089 -3.089 5.553) 7.065 15.661 ( 5.374 3.169 3.876) 7.345 15.956 ( -3.033 -7.727 -1.195) 8.386 16.231 ( -5.331 5.258 -4.496) 8.734 16.265 ( -2.879 5.591 2.918) 6.933 16.739 ( 9.840 -7.802 -0.759) 12.581 17.014 ( -0.393 -1.097 -2.288) 2.567 17.231 ( 2.272 0.263 -0.365) 2.317 17.300 ( -3.040 -0.136 1.067) 3.225 17.500 ( -0.545 0.031 0.899) 1.052 20.041 ( 1.709 -6.096 -1.606) 6.532 20.135 ( 0.358 4.076 -0.755) 4.161 20.388 ( 0.477 -5.813 -0.184) 5.835 20.487 ( 0.836 6.115 -1.876) 6.451 22.604 ( -2.736 7.906 4.126) 9.328 22.691 ( -1.181 -7.742 2.735) 8.295 22.868 ( 2.097 1.464 -3.228) 4.118 22.961 ( 1.501 -0.616 -1.038) 1.926 28.006 ( -2.644 18.180 -0.413) 18.376 28.038 ( -1.663 -14.212 -3.486) 14.728 28.225 ( -1.201 -22.815 7.097) 23.924 28.650 ( 12.108 14.619 -5.201) 19.682 30.916 ( -4.696 1.264 -0.389) 4.879 30.966 ( -3.406 -7.059 1.803) 8.043 31.112 ( 0.546 1.216 -3.033) 3.313 31.255 ( 0.826 1.146 -0.441) 1.480 31.282 ( -2.302 1.322 -2.114) 3.393 31.356 ( -1.519 -0.060 -6.052) 6.240 31.555 ( -3.231 -0.824 11.209) 11.695 32.196 ( 15.309 9.365 -12.204) 21.703 32.995 ( -0.628 3.097 1.404) 3.458 33.191 ( -3.592 2.240 0.954) 4.339 33.257 ( 4.874 -6.652 -1.478) 8.378 33.413 ( -0.164 2.469 -1.925) 3.136 35.429 ( -2.169 -0.316 1.670) 2.756 35.518 ( 0.040 0.356 -0.579) 0.681 35.722 ( -2.304 1.606 5.626) 6.288 35.888 ( -0.057 -0.993 0.433) 1.085 36.242 ( -5.928 -2.542 6.763) 9.345 36.397 ( -3.008 -0.930 4.950) 5.867 37.178 ( -1.010 -13.304 -4.369) 14.039 37.654 ( 7.095 12.978 -3.720) 15.251======================= Grid point 138 (63/114) =======================q-point: (-0.38 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.606 ( -9.737 12.300 3.860) 16.155 1.864 ( -10.337 15.890 8.936) 20.957 2.241 ( -4.810 -2.164 -10.340) 11.607 2.545 ( 0.326 1.200 1.069) 1.639 2.588 ( -2.967 1.528 -7.227) 7.960 2.754 ( 1.275 16.931 5.304) 17.788 2.914 ( 1.953 5.245 -5.513) 7.856 3.091 ( 0.283 24.180 12.770) 27.347 3.224 ( 1.171 -5.114 0.830) 5.311 3.356 ( -1.505 3.004 2.360) 4.106 3.520 ( -0.074 0.318 -1.031) 1.082 3.566 ( 3.377 -6.847 2.933) 8.178 3.676 ( 5.081 0.967 1.231) 5.317 3.832 ( 2.597 -3.314 -2.831) 5.073 4.088 ( -0.881 -0.806 1.479) 1.901 4.266 ( -3.360 -5.756 -6.422) 9.255 4.422 ( 8.481 -6.963 -0.462) 10.983 4.646 ( 2.475 0.221 -5.438) 5.979 4.709 ( -1.688 -5.039 1.351) 5.483 4.831 ( -0.548 -1.546 -6.448) 6.653 5.054 ( 12.376 -7.419 10.143) 17.638 5.204 ( -5.577 -1.264 -7.616) 9.524 5.260 ( 2.536 -1.881 2.463) 4.005 5.513 ( -1.776 -0.717 3.625) 4.100 5.644 ( -0.380 3.351 -2.871) 4.429 5.788 ( -0.192 -0.532 3.342) 3.389 5.871 ( -5.730 3.099 1.907) 6.788 5.976 ( 0.529 4.500 -2.293) 5.078 6.107 ( 0.016 -1.679 1.472) 2.233 6.398 ( 4.030 -2.945 -1.639) 5.254 7.719 ( -4.405 -0.804 -1.268) 4.654 7.890 ( -0.705 -1.621 -2.270) 2.877 8.042 ( -0.835 -1.973 2.718) 3.461 8.349 ( -0.819 3.112 -2.170) 3.881 8.878 ( 1.617 -0.200 2.790) 3.231 8.919 ( -0.756 -2.883 -0.268) 2.993 9.091 ( -1.533 -1.141 -1.614) 2.501 9.179 ( -0.574 -0.599 0.982) 1.286 9.293 ( -0.970 -0.384 4.644) 4.760 9.399 ( 1.544 -3.990 0.634) 4.325 9.614 ( 0.563 4.048 -2.032) 4.565 9.828 ( 0.210 3.164 -2.542) 4.064 9.932 ( 0.862 -3.300 -2.442) 4.195 10.169 ( 2.423 -2.926 7.075) 8.030 10.284 ( -4.570 -0.035 1.443) 4.793 10.421 ( 1.877 -6.669 -2.703) 7.437 11.197 ( -5.714 -1.483 3.855) 7.050 11.383 ( -0.424 -1.616 0.670) 1.801 11.400 ( -2.225 2.450 1.975) 3.854 11.540 ( 1.427 1.706 -2.331) 3.222 11.572 ( 1.530 0.754 1.170) 2.069 11.784 ( 2.625 3.907 3.200) 5.692 12.266 ( 1.737 5.390 0.873) 5.730 12.360 ( -2.666 0.642 -2.435) 3.668 12.434 ( -2.193 -1.797 -1.862) 3.392 12.513 ( 3.713 0.747 0.638) 3.840 12.702 ( 0.925 -5.122 -2.840) 5.929 12.868 ( 2.447 -8.783 -0.122) 9.118 13.541 ( 1.148 1.012 3.211) 3.557 13.583 ( -1.954 7.259 -1.891) 7.752 13.748 ( -1.769 0.076 -4.112) 4.477 13.861 ( 5.679 -4.740 5.828) 9.417 14.059 ( -4.910 4.987 -0.515) 7.017 14.630 ( -1.885 0.256 -1.470) 2.404 15.122 ( 0.181 6.616 0.708) 6.656 15.390 ( 0.659 -7.162 -2.286) 7.547 15.547 ( 4.507 2.586 0.286) 5.204 15.632 ( 3.700 7.841 1.207) 8.754 15.916 ( -9.265 0.793 -1.638) 9.442 16.096 ( -4.463 9.484 4.126) 11.265 16.261 ( 2.987 -7.523 1.014) 8.157 16.909 ( 13.073 -1.994 -6.325) 14.659 17.006 ( 0.166 0.008 -3.542) 3.546 17.204 ( -0.323 3.057 -0.955) 3.219 17.278 ( -1.641 1.641 1.428) 2.725 17.469 ( -1.991 2.735 0.533) 3.425 19.951 ( -3.850 9.838 -0.479) 10.575 20.053 ( 2.079 4.965 -6.393) 8.357 20.495 ( -1.713 -7.360 3.137) 8.182 20.602 ( 2.910 -13.443 -2.130) 13.918 22.424 ( -2.187 11.892 7.222) 14.084 22.617 ( 3.259 12.808 -3.899) 13.779 22.944 ( -1.971 -9.610 3.436) 10.395 23.098 ( 2.171 -9.489 -3.375) 10.302 27.589 ( -1.645 21.601 0.417) 21.667 28.244 ( 14.973 9.537 -6.102) 18.772 28.485 ( -2.866 -13.421 -7.825) 15.798 28.694 ( -3.943 -20.581 4.333) 21.398 30.770 ( -3.008 10.652 -0.935) 11.108 30.981 ( 0.250 6.396 -1.815) 6.653 31.013 ( 3.094 7.593 -2.810) 8.668 31.152 ( -2.175 -0.344 3.739) 4.340 31.408 ( -0.665 -8.276 -0.463) 8.316 31.428 ( 1.235 -7.865 -1.409) 8.085 31.581 ( -6.402 0.240 10.069) 11.934 32.035 ( 9.531 11.592 -10.702) 18.432 32.857 ( -3.469 9.774 2.047) 10.571 33.087 ( -1.923 8.466 -0.838) 8.721 33.333 ( -0.315 -3.256 1.781) 3.724 33.505 ( 5.086 -8.228 -3.460) 10.273 35.419 ( -1.824 0.717 1.895) 2.726 35.496 ( 0.152 1.647 -0.572) 1.750 35.699 ( -2.501 2.708 6.161) 7.180 35.882 ( -2.166 0.566 -0.547) 2.304 36.253 ( -3.728 -1.154 2.227) 4.494 36.413 ( -1.064 1.494 2.280) 2.926 37.444 ( 7.076 -16.096 -7.671) 19.183 37.562 ( -2.034 -1.993 6.092) 6.724======================= Grid point 139 (64/114) =======================q-point: (-0.25 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.352 ( -3.184 16.834 16.692) 23.920 1.574 ( -13.899 14.492 16.801) 26.181 2.143 ( -8.641 1.485 -9.708) 13.082 2.341 ( -1.172 19.396 5.680) 20.245 2.428 ( -6.160 10.230 3.657) 12.488 2.653 ( -2.910 1.752 2.308) 4.107 2.695 ( 8.158 0.135 5.227) 9.690 2.930 ( 5.521 15.498 12.549) 20.692 3.346 ( 0.674 -1.383 -1.728) 2.314 3.403 ( 7.352 -5.836 -1.115) 9.453 3.497 ( 0.882 0.706 0.133) 1.137 3.664 ( 1.013 0.240 -0.646) 1.226 3.709 ( 0.966 -3.667 -3.207) 4.966 3.913 ( 3.728 -2.807 -3.956) 6.118 4.071 ( -1.954 0.579 0.665) 2.144 4.322 ( -4.369 -6.435 -6.867) 10.375 4.552 ( 5.261 -2.939 -2.251) 6.433 4.643 ( 1.471 -0.515 -4.718) 4.969 4.753 ( -0.137 0.521 -3.203) 3.248 4.859 ( 0.303 -5.288 -4.886) 7.206 5.131 ( -1.017 2.170 -5.530) 6.027 5.234 ( -0.899 0.231 -2.707) 2.862 5.358 ( 7.383 -5.360 4.830) 10.323 5.502 ( 0.586 1.338 4.739) 4.959 5.577 ( -1.043 2.925 5.583) 6.388 5.791 ( -7.473 -2.706 4.392) 9.080 5.892 ( 7.206 -2.912 2.220) 8.084 5.933 ( 1.450 -0.311 -1.290) 1.966 6.152 ( -0.186 -3.151 0.062) 3.157 6.427 ( 0.171 0.172 -2.233) 2.246 7.701 ( -2.093 0.001 1.243) 2.435 7.916 ( -1.932 -3.515 -1.136) 4.169 8.110 ( 0.223 -3.920 2.717) 4.775 8.221 ( -6.176 4.936 -5.251) 9.491 8.898 ( 1.078 -0.263 -0.595) 1.259 8.987 ( 0.260 -4.751 0.692) 4.808 9.093 ( -0.617 -0.160 0.669) 0.925 9.164 ( -3.751 0.065 2.756) 4.655 9.359 ( 1.257 -2.420 6.529) 7.076 9.520 ( 5.814 -4.843 1.680) 7.751 9.597 ( 2.913 -1.639 -2.298) 4.056 9.708 ( -1.714 5.926 -1.771) 6.418 9.970 ( -2.439 -1.444 0.832) 2.954 10.224 ( -0.528 2.455 -1.423) 2.886 10.342 ( -5.558 -8.743 6.899) 12.447 10.569 ( 2.238 -9.346 -3.897) 10.371 11.210 ( -3.440 -2.422 1.462) 4.454 11.341 ( -1.718 1.879 -0.203) 2.554 11.416 ( -8.088 -2.568 -0.069) 8.487 11.473 ( 3.202 1.649 -3.900) 5.308 11.630 ( 3.961 0.710 6.302) 7.477 11.798 ( 2.266 0.531 7.260) 7.624 12.155 ( 0.629 4.923 3.424) 6.029 12.356 ( 0.578 -2.192 -1.679) 2.820 12.447 ( -3.515 -3.315 -0.367) 4.845 12.546 ( 4.486 0.937 -1.322) 4.770 12.780 ( 1.628 -4.224 -4.786) 6.588 12.989 ( 1.512 -3.451 -3.320) 5.022 13.467 ( 0.534 3.361 -0.670) 3.468 13.536 ( -2.398 0.442 1.507) 2.866 13.696 ( 0.436 2.114 -1.686) 2.739 13.907 ( -1.456 8.432 2.444) 8.899 14.091 ( 8.865 -8.585 7.305) 14.341 14.602 ( -1.671 -0.192 -0.974) 1.943 15.027 ( 0.316 6.409 3.608) 7.362 15.354 ( -3.230 10.693 -5.307) 12.367 15.480 ( 6.968 9.674 0.322) 11.926 15.524 ( 1.782 -0.145 -5.284) 5.578 15.762 ( -2.727 12.334 0.037) 12.632 16.072 ( -4.729 -6.522 2.601) 8.465 16.430 ( 3.021 -6.954 1.006) 7.648 16.870 ( 11.440 11.848 -16.374) 23.224 16.976 ( 2.114 1.389 -1.329) 2.857 17.111 ( -3.155 4.183 -1.775) 5.532 17.239 ( 1.827 3.765 2.680) 4.970 17.414 ( -3.328 1.537 3.598) 5.136 19.757 ( -3.711 7.743 -1.159) 8.664 19.926 ( -0.566 4.053 -6.286) 7.501 20.680 ( -2.154 -11.456 3.809) 12.264 20.843 ( 2.046 -12.642 -2.452) 13.039 22.253 ( -1.491 10.367 7.708) 13.004 22.383 ( 3.920 13.590 -3.219) 14.505 23.098 ( -3.847 -7.664 2.587) 8.957 23.250 ( 2.427 -7.683 -4.348) 9.156 27.237 ( -0.433 17.281 1.062) 17.319 27.867 ( 8.336 28.922 -23.236) 38.025 28.802 ( -0.005 -21.321 0.989) 21.344 29.070 ( -3.858 -21.286 4.139) 22.025 30.553 ( 6.009 13.896 5.521) 16.114 30.849 ( 2.625 6.853 -1.630) 7.517 30.895 ( 3.872 7.161 -1.689) 8.314 31.139 ( -0.634 7.232 7.294) 10.291 31.455 ( -3.000 2.956 -0.660) 4.263 31.552 ( -3.835 -8.923 0.177) 9.714 31.678 ( 0.383 -9.966 0.862) 10.011 31.848 ( 3.827 9.257 -2.537) 10.333 32.662 ( -2.099 10.749 3.175) 11.403 32.885 ( -2.136 11.524 0.135) 11.721 33.404 ( -1.426 -3.695 2.066) 4.467 33.657 ( 5.797 -6.357 -4.957) 9.929 35.402 ( -1.418 1.042 2.339) 2.927 35.465 ( 0.650 1.640 -0.529) 1.842 35.656 ( -3.226 3.510 6.300) 7.901 35.853 ( -1.132 -0.115 -1.683) 2.032 36.259 ( -2.252 -1.253 -1.558) 3.011 36.323 ( 0.563 7.310 -3.884) 8.297 37.663 ( 10.028 -10.184 -5.640) 15.366 37.855 ( -11.469 -24.582 11.199) 29.347======================= Grid point 140 (65/114) =======================q-point: (-0.12 0.00 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.148 ( 0.628 15.644 22.244) 27.202 1.361 ( -8.524 10.714 24.129) 27.743 1.962 ( -3.408 9.399 23.655) 25.681 2.170 ( -4.825 5.721 6.991) 10.241 2.438 ( 6.980 -9.265 2.552) 11.877 2.711 ( -6.273 0.955 1.223) 6.462 2.726 ( 0.467 -4.412 -4.064) 6.017 2.843 ( 11.678 3.867 8.140) 14.752 3.326 ( 1.795 3.419 -9.263) 10.036 3.398 ( -0.697 11.406 -7.515) 13.677 3.452 ( 2.117 6.378 -0.050) 6.720 3.615 ( -0.177 0.280 -7.523) 7.530 3.754 ( 2.535 -4.105 2.796) 5.576 3.979 ( 4.557 -2.250 1.949) 5.443 4.071 ( -3.421 -3.580 -2.397) 5.502 4.336 ( -3.814 -1.822 -6.278) 7.568 4.593 ( 2.209 0.094 -4.899) 5.375 4.653 ( -3.017 -1.867 2.605) 4.402 4.720 ( 4.965 -0.423 -4.824) 6.935 4.884 ( 0.193 0.924 -0.589) 1.113 5.025 ( -3.646 2.865 -4.876) 6.729 5.223 ( -2.543 -5.875 -9.196) 11.205 5.411 ( -3.456 1.699 7.033) 8.018 5.551 ( 1.452 4.115 6.146) 7.538 5.661 ( 7.495 -7.868 4.177) 11.641 5.842 ( 0.498 -1.651 4.121) 4.467 5.976 ( 0.818 -3.279 1.064) 3.544 6.025 ( 5.268 -2.894 1.238) 6.137 6.227 ( -0.583 -5.444 -0.009) 5.475 6.379 ( -3.543 1.956 -1.880) 4.463 7.705 ( 1.729 0.839 3.648) 4.123 7.935 ( -6.471 -1.599 -2.809) 7.233 8.077 ( -4.856 1.918 -3.255) 6.152 8.185 ( -1.480 -3.179 0.347) 3.523 8.924 ( 2.978 -2.174 0.686) 3.750 9.073 ( 1.681 -2.493 0.140) 3.011 9.109 ( -0.058 -0.663 3.249) 3.316 9.163 ( -3.301 -1.552 1.686) 4.018 9.449 ( 0.805 -2.367 6.343) 6.818 9.560 ( 1.794 3.525 -2.251) 4.551 9.620 ( 6.252 1.911 -1.246) 6.656 9.737 ( 3.654 -6.360 2.660) 7.802 9.942 ( -6.412 0.988 -0.177) 6.490 10.156 ( -3.805 1.200 -3.791) 5.504 10.460 ( -6.218 -5.238 5.491) 9.810 10.692 ( -1.278 -6.363 -7.478) 9.902 11.213 ( 3.025 3.027 -2.681) 5.050 11.316 ( -3.854 -1.834 0.769) 4.337 11.379 ( -6.744 -4.333 -1.281) 8.117 11.481 ( -1.831 -1.353 -2.954) 3.730 11.649 ( 3.732 3.704 6.446) 8.319 11.856 ( -1.803 -2.223 2.600) 3.867 12.242 ( 6.647 -6.583 11.015) 14.452 12.415 ( 2.589 -3.178 0.622) 4.146 12.488 ( -2.570 -3.669 -0.140) 4.482 12.550 ( 5.135 2.643 3.779) 6.901 12.801 ( 3.053 -0.781 -8.304) 8.882 12.978 ( -0.962 0.990 -5.689) 5.854 13.460 ( -1.940 -0.994 1.726) 2.781 13.509 ( 1.381 1.046 -2.728) 3.231 13.683 ( 0.550 0.670 2.027) 2.204 13.763 ( -1.280 6.741 1.588) 7.043 14.390 ( 13.070 -10.322 7.517) 18.272 14.608 ( -0.669 -1.998 -2.023) 2.921 14.901 ( 0.473 9.714 3.655) 10.389 15.120 ( -1.965 9.908 -3.398) 10.657 15.339 ( 4.838 14.006 -4.937) 15.618 15.402 ( 5.459 10.821 -0.140) 12.121 15.567 ( 7.219 8.849 -0.680) 11.441 16.043 ( -10.668 3.646 -6.773) 13.152 16.554 ( 1.863 -4.587 2.294) 5.456 16.674 ( 4.505 4.665 -2.504) 6.952 16.975 ( 0.855 -0.223 -0.633) 1.087 17.025 ( -0.284 2.413 -1.885) 3.075 17.209 ( 4.518 4.047 3.768) 7.141 17.386 ( -4.850 1.103 3.169) 5.898 19.626 ( -0.945 3.903 -0.775) 4.090 19.848 ( -4.443 -0.514 -6.117) 7.577 20.879 ( -1.532 -9.632 2.946) 10.188 21.033 ( 0.546 -8.448 -2.702) 8.886 22.113 ( -2.791 7.405 3.629) 8.706 22.180 ( 4.082 10.269 -2.559) 11.343 23.187 ( -4.611 -4.919 2.673) 7.253 23.349 ( 2.228 -3.951 -4.043) 6.076 26.994 ( 0.057 10.147 0.734) 10.174 27.219 ( -0.231 29.312 -12.959) 32.050 29.196 ( 5.281 -17.422 3.884) 18.614 29.401 ( -2.937 -15.339 1.862) 15.728 30.508 ( 14.890 4.242 8.186) 17.513 30.776 ( 3.103 2.961 -1.351) 4.497 30.804 ( 11.135 7.601 -1.092) 13.526 30.952 ( -0.647 14.490 5.501) 15.512 31.391 ( 4.330 1.972 -3.481) 5.896 31.564 ( -9.520 2.961 0.828) 10.004 31.807 ( 5.653 -3.539 2.547) 7.139 31.883 ( -3.315 -8.997 1.841) 9.764 32.505 ( 0.964 8.192 4.973) 9.632 32.680 ( -1.123 9.579 1.360) 9.740 33.453 ( -2.281 -2.023 2.106) 3.705 33.754 ( 5.444 -3.307 -6.551) 9.138 35.391 ( -1.527 0.590 3.098) 3.504 35.449 ( 1.580 0.662 -0.620) 1.821 35.607 ( -2.913 2.601 5.497) 6.743 35.859 ( 0.538 -2.168 -2.865) 3.633 36.147 ( 1.443 8.869 -3.670) 9.706 36.247 ( -4.739 -1.409 -4.613) 6.762 37.915 ( 16.360 -8.560 -3.586) 18.809 38.209 ( -27.163 -22.568 2.708) 35.419======================= Grid point 142 (66/114) =======================q-point: ( 0.12 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.616 ( 8.002 -0.000 11.056) 13.648 1.766 ( 19.914 -0.000 25.893) 32.665 2.157 ( 12.245 -0.000 -4.814) 13.157 2.283 ( -6.066 0.000 -18.711) 19.670 2.578 ( 10.318 -0.000 21.349) 23.712 2.756 ( 0.706 -0.000 -1.821) 1.953 2.759 ( -6.061 0.000 -9.130) 10.959 2.893 ( 2.554 -0.000 -5.194) 5.788 2.984 ( 4.010 -0.000 6.999) 8.067 3.223 ( 4.134 -0.000 -13.734) 14.343 3.376 ( -5.551 0.000 -3.791) 6.722 3.478 ( 1.459 -0.000 -4.219) 4.464 3.833 ( -9.350 0.000 -2.093) 9.581 3.978 ( 0.124 -0.000 3.726) 3.728 4.160 ( -3.459 0.000 7.232) 8.016 4.372 ( 3.962 -0.000 -2.798) 4.850 4.492 ( -9.943 0.000 0.191) 9.945 4.589 ( 3.404 -0.000 7.821) 8.529 4.723 ( -10.997 0.000 -5.601) 12.342 4.870 ( 5.976 -0.000 4.251) 7.334 4.960 ( -0.537 0.000 1.727) 1.809 5.075 ( -5.367 0.000 -10.661) 11.936 5.414 ( -2.382 0.000 7.299) 7.678 5.626 ( 2.496 -0.000 -0.490) 2.544 5.824 ( -11.473 0.000 -2.824) 11.815 5.853 ( -0.784 0.000 6.156) 6.206 6.001 ( -4.714 0.000 -5.244) 7.051 6.041 ( 6.686 -0.000 0.606) 6.713 6.247 ( 0.428 -0.000 3.731) 3.755 6.347 ( 2.673 -0.000 -0.827) 2.798 7.799 ( 0.757 -0.000 0.177) 0.777 7.865 ( 5.129 -0.000 2.404) 5.664 8.125 ( -0.903 0.000 -5.402) 5.477 8.130 ( 6.808 -0.000 5.037) 8.469 9.027 ( -5.305 0.000 1.814) 5.607 9.061 ( -5.244 0.000 -4.969) 7.224 9.171 ( 5.791 -0.000 2.657) 6.371 9.280 ( 7.410 -0.000 -0.851) 7.459 9.461 ( -12.818 0.000 -0.472) 12.827 9.466 ( -2.051 0.000 0.937) 2.254 9.611 ( 3.491 -0.000 -1.313) 3.729 9.874 ( 11.871 -0.000 5.918) 13.264 9.920 ( -6.359 0.000 -6.493) 9.088 10.038 ( 5.325 -0.000 2.882) 6.055 10.482 ( -1.340 0.000 4.572) 4.764 10.715 ( 6.103 -0.000 -2.300) 6.522 11.162 ( -4.957 0.000 -3.664) 6.164 11.178 ( -7.505 0.000 4.842) 8.932 11.398 ( 5.856 -0.000 -0.900) 5.925 11.593 ( 11.338 -0.000 0.421) 11.345 11.789 ( -2.898 0.000 -3.372) 4.447 11.799 ( 3.616 -0.000 6.236) 7.209 12.468 ( -5.970 0.000 0.068) 5.971 12.500 ( -0.663 0.000 3.773) 3.831 12.592 ( -1.200 0.000 -4.260) 4.426 12.636 ( 3.533 -0.000 0.312) 3.546 12.786 ( 3.117 -0.000 -3.924) 5.012 12.792 ( -1.659 0.000 -6.652) 6.855 13.434 ( -2.528 0.000 -0.417) 2.562 13.442 ( -1.107 0.000 0.154) 1.117 13.652 ( -3.645 0.000 3.287) 4.908 13.753 ( 0.689 -0.000 0.376) 0.785 14.556 ( -0.706 0.000 -0.971) 1.201 14.590 ( 0.719 -0.000 -2.406) 2.511 14.844 ( -11.155 0.000 -3.576) 11.714 14.968 ( 0.156 -0.000 -1.217) 1.227 15.242 ( -6.057 0.000 1.594) 6.263 15.309 ( -0.089 0.000 -2.781) 2.783 15.531 ( -3.205 0.000 -4.001) 5.127 15.981 ( 19.120 -0.000 1.852) 19.209 16.637 ( -3.455 0.000 0.283) 3.466 16.680 ( -2.006 0.000 0.283) 2.026 16.935 ( -2.101 0.000 0.541) 2.170 17.008 ( 0.847 -0.000 -1.022) 1.327 17.222 ( -7.493 0.000 -1.088) 7.572 17.384 ( 5.638 -0.000 4.305) 7.094 19.674 ( 1.023 -0.000 -5.493) 5.587 19.717 ( 8.536 -0.000 3.423) 9.197 21.014 ( 0.374 -0.000 2.425) 2.454 21.060 ( -0.134 0.000 -1.683) 1.689 21.932 ( -6.968 0.000 2.456) 7.389 22.143 ( 3.927 -0.000 -1.693) 4.276 23.241 ( -1.167 0.000 2.934) 3.158 23.378 ( 2.782 -0.000 -2.984) 4.080 26.904 ( -0.163 0.000 0.195) 0.254 26.907 ( -0.141 0.000 -0.111) 0.179 29.484 ( -2.625 0.000 -2.642) 3.724 29.554 ( 5.112 -0.000 2.652) 5.759 30.394 ( -15.350 0.000 3.625) 15.772 30.670 ( -2.251 0.000 -3.074) 3.810 30.696 ( -5.083 0.000 -0.867) 5.156 31.060 ( 3.786 -0.000 -7.167) 8.106 31.281 ( -6.304 0.000 -0.681) 6.340 31.906 ( -2.526 0.000 -0.639) 2.606 31.994 ( 4.593 -0.000 1.554) 4.849 32.006 ( 30.954 -0.000 -8.367) 32.065 32.594 ( 0.629 -0.000 -1.965) 2.064 32.721 ( 25.987 -0.000 -5.754) 26.617 33.449 ( -4.844 0.000 5.484) 7.317 33.755 ( 4.596 -0.000 -9.841) 10.862 35.379 ( -3.048 0.000 1.877) 3.580 35.486 ( 1.890 -0.000 -0.446) 1.942 35.635 ( -2.024 0.000 7.075) 7.358 35.816 ( 0.801 -0.000 -5.896) 5.950 36.064 ( 0.026 -0.000 3.865) 3.866 36.090 ( -2.562 0.000 -3.335) 4.206 37.532 ( -42.518 0.000 10.334) 43.755 38.475 ( 18.679 -0.000 3.879) 19.077======================= Grid point 143 (67/114) =======================q-point: ( 0.25 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.743 ( 9.409 -2.244 0.157) 9.675 1.907 ( 8.863 9.449 16.390) 20.892 2.094 ( 7.600 3.041 -5.665) 9.955 2.336 ( 12.506 -5.561 -13.262) 19.058 2.522 ( -4.990 1.965 1.859) 5.676 2.828 ( 2.665 -5.125 -4.617) 7.395 2.892 ( 9.948 -3.800 12.884) 16.716 3.002 ( 2.230 -7.047 -8.687) 11.406 3.118 ( -2.900 -12.472 -3.466) 13.266 3.280 ( 1.899 -9.923 -6.949) 12.262 3.346 ( -2.958 -3.451 1.094) 4.675 3.478 ( -0.744 -2.098 -2.945) 3.691 3.763 ( -2.819 1.449 0.043) 3.170 3.914 ( -4.030 6.800 2.965) 8.442 4.163 ( -5.874 -0.644 0.159) 5.912 4.308 ( 0.565 2.103 -4.727) 5.205 4.448 ( -6.766 -1.100 0.458) 6.870 4.589 ( -11.633 2.094 -1.451) 11.909 4.667 ( 5.286 2.595 8.649) 10.463 4.900 ( 1.412 2.916 4.645) 5.663 4.942 ( -0.715 2.567 -1.556) 3.086 5.012 ( 1.605 -2.624 -1.439) 3.396 5.399 ( -5.828 2.426 3.491) 7.214 5.638 ( -2.427 -1.611 -4.641) 5.479 5.764 ( -5.224 -2.307 -0.664) 5.749 5.874 ( -0.187 2.660 7.627) 8.080 5.892 ( -2.997 2.014 -4.838) 6.037 6.087 ( 3.484 0.933 -3.538) 5.052 6.210 ( 0.240 5.755 1.421) 5.933 6.332 ( 1.728 3.475 3.089) 4.960 7.804 ( 1.767 1.052 -1.253) 2.408 7.947 ( 5.453 -2.320 3.250) 6.759 8.079 ( -0.272 1.863 -2.944) 3.494 8.193 ( 5.885 1.318 2.716) 6.614 8.904 ( -6.690 4.240 -1.545) 8.070 8.986 ( -2.105 4.266 -0.172) 4.760 9.194 ( 3.777 2.524 1.148) 4.686 9.296 ( 1.345 1.526 -0.249) 2.049 9.384 ( -5.723 -1.175 -2.393) 6.314 9.483 ( -3.018 -1.210 1.716) 3.677 9.662 ( 6.933 -0.795 0.470) 6.994 9.839 ( -5.444 0.480 -7.319) 9.134 9.996 ( 9.870 0.114 4.908) 11.024 10.102 ( 2.152 -2.025 2.040) 3.590 10.471 ( 0.167 4.328 5.743) 7.193 10.710 ( 6.471 4.486 -1.818) 8.081 11.105 ( -3.682 -0.196 0.107) 3.689 11.186 ( -5.245 -3.172 3.507) 7.062 11.430 ( 6.447 1.222 0.208) 6.565 11.630 ( 11.382 5.168 0.908) 12.533 11.756 ( -3.290 -0.997 -3.128) 4.647 11.899 ( 4.513 -3.230 3.825) 6.740 12.349 ( -4.867 4.887 0.403) 6.909 12.448 ( -8.416 4.376 -8.400) 12.671 12.519 ( 0.634 4.498 -0.973) 4.645 12.603 ( 5.265 4.806 -0.180) 7.132 12.747 ( -3.185 -1.846 -7.026) 7.932 12.797 ( -0.994 -0.117 2.853) 3.023 13.350 ( -3.296 2.143 1.744) 4.301 13.553 ( 2.834 -5.006 0.544) 5.778 13.700 ( -3.191 -1.461 -0.430) 3.535 13.762 ( -1.214 -6.267 2.770) 6.959 14.424 ( -8.157 7.504 -5.673) 12.451 14.625 ( 3.494 -2.702 -1.914) 4.814 14.933 ( -6.097 -13.252 -3.616) 15.029 15.012 ( 0.302 -9.445 3.673) 10.139 15.267 ( -3.478 -5.318 0.141) 6.355 15.291 ( -11.930 -5.527 -4.152) 13.788 15.641 ( 10.665 -7.848 -0.648) 13.257 16.123 ( 12.156 -0.874 1.161) 12.243 16.557 ( -4.975 4.462 0.155) 6.684 16.596 ( -5.023 5.248 -0.867) 7.316 16.933 ( -1.332 -1.300 -0.162) 1.869 17.035 ( 1.346 -2.754 -0.488) 3.104 17.218 ( -5.069 -4.832 -1.303) 7.123 17.451 ( 3.360 -0.806 3.011) 4.583 19.706 ( 3.929 -4.642 -3.937) 7.244 19.797 ( 8.102 0.701 3.328) 8.787 20.916 ( -1.050 10.195 3.063) 10.697 21.001 ( 1.524 6.864 -2.391) 7.426 21.996 ( -6.457 -10.443 2.799) 12.593 22.251 ( 2.999 -9.165 -2.044) 9.857 23.184 ( -1.903 6.558 3.823) 7.826 23.349 ( 3.366 3.954 -2.856) 5.926 27.028 ( -0.381 -13.392 1.481) 13.479 27.035 ( -0.700 -13.716 -1.336) 13.799 29.237 ( -3.376 18.891 -2.766) 19.389 29.512 ( 7.114 11.615 0.620) 13.635 30.452 ( -14.415 -15.981 -2.045) 21.619 30.664 ( -2.916 -2.989 0.081) 4.176 30.692 ( -3.620 -3.500 -0.452) 5.055 31.101 ( 2.505 -5.123 -2.331) 6.160 31.267 ( -2.687 -2.037 0.316) 3.386 31.801 ( -2.345 7.724 -0.544) 8.091 31.910 ( 5.987 10.038 -1.256) 11.755 32.237 ( 16.615 -6.087 -8.123) 19.471 32.667 ( 1.998 -8.194 -3.535) 9.145 32.890 ( 26.380 -0.275 -10.489) 28.391 33.424 ( -5.680 2.154 6.395) 8.820 33.707 ( 4.035 2.826 -9.715) 10.893 35.375 ( -2.966 -1.076 1.402) 3.452 35.491 ( 1.214 0.238 -0.789) 1.467 35.672 ( -2.723 -1.570 7.068) 7.735 35.815 ( 1.713 -1.805 -3.120) 3.991 36.069 ( -1.521 -1.142 -0.429) 1.949 36.139 ( 0.914 -5.106 2.425) 5.726 37.236 ( -35.270 5.780 13.782) 38.306 38.512 ( 14.104 12.003 1.930) 18.620======================= Grid point 144 (68/114) =======================q-point: ( 0.38 0.12 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.822 ( 3.908 -1.306 8.199) 9.176 1.948 ( 4.854 -6.024 -7.555) 10.814 2.153 ( 7.941 -2.882 -1.366) 8.557 2.379 ( 13.778 4.629 -2.532) 14.754 2.580 ( -3.484 -7.392 -4.637) 9.396 2.869 ( -1.141 0.968 -9.495) 9.612 2.944 ( 7.747 -0.237 2.914) 8.280 3.174 ( 0.695 -12.537 1.165) 12.611 3.259 ( -3.359 1.736 -5.114) 6.360 3.322 ( -1.159 -7.187 -3.962) 8.288 3.473 ( 0.136 -9.593 -1.449) 9.702 3.598 ( -0.281 -4.796 2.611) 5.468 3.736 ( -0.028 2.351 -2.141) 3.180 3.778 ( 0.488 0.837 0.255) 1.002 4.105 ( -1.158 3.870 0.721) 4.104 4.300 ( -2.827 -0.817 -7.706) 8.249 4.383 ( -6.239 -0.773 2.045) 6.611 4.479 ( -8.681 2.792 1.848) 9.305 4.706 ( 3.884 -0.998 4.735) 6.205 4.869 ( -1.131 0.526 -5.666) 5.802 4.927 ( 4.557 3.870 11.027) 12.544 5.087 ( -1.913 -3.268 2.479) 4.526 5.306 ( -3.155 4.145 2.454) 5.758 5.617 ( -4.280 -0.174 0.016) 4.283 5.684 ( -1.693 6.422 -5.339) 8.522 5.794 ( -3.527 0.670 0.480) 3.623 5.952 ( 4.753 -1.519 0.516) 5.017 6.018 ( 1.637 2.490 -4.301) 5.233 6.151 ( -0.531 1.039 -0.060) 1.168 6.282 ( -2.284 4.461 5.359) 7.337 7.777 ( 0.698 1.513 -2.186) 2.749 7.957 ( -1.587 3.894 -3.100) 5.224 8.041 ( -0.953 1.855 3.048) 3.693 8.265 ( 10.210 -2.345 2.567) 10.786 8.847 ( -2.509 -1.120 0.087) 2.750 8.892 ( -0.490 4.196 2.752) 5.042 9.175 ( 2.564 2.460 0.736) 3.629 9.250 ( 1.350 4.609 0.402) 4.819 9.355 ( -3.704 0.389 -0.676) 3.785 9.470 ( -2.862 1.272 1.479) 3.463 9.692 ( -0.472 0.097 -7.742) 7.757 9.779 ( 3.073 -0.892 -1.821) 3.682 10.036 ( 4.895 4.251 0.503) 6.502 10.144 ( -3.777 -1.959 1.515) 4.517 10.392 ( -0.283 6.987 4.858) 8.515 10.634 ( 5.651 7.561 -3.981) 10.245 11.128 ( -2.010 -2.829 3.621) 5.015 11.245 ( -2.341 -4.203 3.649) 6.038 11.459 ( 4.996 0.847 1.263) 5.222 11.614 ( 10.865 5.748 -1.400) 12.371 11.726 ( -4.042 -0.094 -2.937) 4.997 11.981 ( 1.138 -1.202 -2.812) 3.263 12.265 ( -3.782 0.094 -2.961) 4.804 12.288 ( -1.296 2.131 -1.550) 2.937 12.419 ( -0.220 3.785 -2.393) 4.483 12.547 ( 3.526 5.931 2.465) 7.327 12.708 ( -5.923 -0.392 -4.031) 7.175 12.830 ( -0.568 -1.187 4.245) 4.445 13.335 ( -1.470 -1.661 2.702) 3.496 13.624 ( -1.207 1.737 -1.395) 2.534 13.662 ( -1.632 -4.277 0.989) 4.683 13.959 ( 2.472 -7.114 2.940) 8.085 14.214 ( -8.206 2.011 -9.521) 12.729 14.632 ( 5.486 5.203 0.253) 7.565 15.075 ( -3.227 -7.809 -0.906) 8.498 15.231 ( -0.107 -5.751 4.484) 7.294 15.320 ( -6.200 -12.018 -1.045) 13.563 15.422 ( -6.364 -12.837 -0.651) 14.342 15.840 ( 10.868 -3.866 1.065) 11.584 16.222 ( 7.208 -1.676 -0.685) 7.432 16.427 ( -7.898 4.496 -3.777) 9.842 16.497 ( -4.198 -1.152 3.854) 5.814 16.954 ( -0.431 -2.006 -1.110) 2.333 17.114 ( 1.170 -4.442 0.269) 4.601 17.268 ( -1.536 -3.846 -0.728) 4.205 17.487 ( 0.642 -0.076 1.402) 1.544 19.845 ( 5.531 -7.101 -1.857) 9.190 19.864 ( 5.562 -2.904 1.043) 6.360 20.711 ( -2.284 12.965 3.239) 13.557 20.835 ( 1.870 10.632 -3.380) 11.312 22.197 ( -5.315 -14.484 3.006) 15.719 22.446 ( 2.170 -11.443 -3.052) 12.041 23.046 ( -3.071 9.064 4.744) 10.682 23.259 ( 3.307 7.280 -2.716) 8.445 27.304 ( -0.911 -18.972 -3.211) 19.263 27.381 ( -1.407 -22.492 6.441) 23.438 28.833 ( -1.519 22.214 -1.674) 22.329 29.289 ( 8.055 18.057 -2.689) 19.954 30.635 ( -7.629 -14.925 -5.449) 17.625 30.743 ( -4.384 -7.157 2.051) 8.640 30.758 ( -2.908 -7.889 1.588) 8.557 31.201 ( -1.087 -4.419 -0.890) 4.637 31.324 ( 1.535 -3.649 4.703) 6.147 31.629 ( -2.280 8.821 -0.388) 9.119 31.731 ( 2.887 11.993 -2.888) 12.669 32.366 ( 13.949 -1.580 -12.486) 18.788 32.840 ( 4.989 -9.862 -4.577) 11.962 33.009 ( 15.134 -1.498 -6.033) 16.360 33.353 ( -6.441 4.579 5.796) 9.800 33.612 ( 2.463 5.001 -7.703) 9.508 35.388 ( -2.065 -1.607 1.474) 3.003 35.496 ( 0.427 -0.727 -0.844) 1.193 35.718 ( -3.461 -1.750 6.288) 7.388 35.852 ( 1.779 -1.366 0.051) 2.243 36.105 ( -1.841 -3.165 3.627) 5.154 36.270 ( 2.374 -6.884 -0.442) 7.295 36.996 ( -24.187 3.105 13.248) 27.752 38.305 ( 9.568 19.756 -3.824) 22.281======================= Grid point 145 (69/114) =======================q-point: ( 0.50 0.12 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.872 ( 3.670 2.921 -1.737) 5.002 2.148 ( 4.838 -10.224 -2.125) 11.509 2.228 ( 7.451 -2.409 -0.485) 7.846 2.448 ( 6.367 -3.272 2.863) 7.710 2.543 ( -2.529 5.633 -2.610) 6.703 2.805 ( -2.946 -0.546 -3.194) 4.379 2.983 ( -1.904 -0.290 -1.117) 2.227 3.174 ( -1.545 -1.099 -8.759) 8.962 3.356 ( 1.244 -4.536 2.442) 5.300 3.430 ( 2.549 -3.469 1.465) 4.547 3.586 ( -0.090 1.800 1.290) 2.216 3.654 ( 0.521 -5.784 1.264) 5.943 3.702 ( 2.454 -3.494 -5.162) 6.699 3.795 ( -1.199 2.778 -8.485) 9.008 4.024 ( 1.852 4.001 4.865) 6.565 4.203 ( -4.481 1.000 -5.412) 7.097 4.353 ( -3.057 3.714 -0.656) 4.854 4.463 ( -4.226 -7.058 0.506) 8.242 4.757 ( 0.025 1.314 -1.082) 1.702 4.833 ( 0.988 0.484 -3.746) 3.904 4.952 ( 7.132 3.792 13.563) 15.786 5.096 ( -5.648 -2.100 -1.566) 6.226 5.261 ( 0.226 2.597 2.244) 3.440 5.523 ( -2.623 3.420 3.395) 5.487 5.673 ( 1.295 -2.971 -3.462) 4.743 5.760 ( 2.008 1.869 1.254) 3.016 5.918 ( -3.513 1.374 0.372) 3.791 6.061 ( 2.970 -1.005 -3.232) 4.503 6.181 ( -0.232 -6.645 -2.999) 7.294 6.202 ( -4.637 4.878 5.922) 8.965 7.740 ( -0.773 1.755 -1.049) 2.185 7.866 ( -1.830 1.661 -1.891) 3.112 8.020 ( -0.587 1.104 3.585) 3.797 8.393 ( 7.995 -1.305 0.130) 8.102 8.836 ( 0.990 0.983 2.906) 3.223 8.907 ( -1.343 -2.265 1.357) 2.963 9.145 ( 2.450 4.604 -2.310) 5.704 9.178 ( 1.779 3.172 2.156) 4.228 9.320 ( -4.207 -0.630 0.311) 4.266 9.393 ( -3.084 4.333 -0.125) 5.320 9.686 ( 2.461 -4.333 -4.660) 6.823 9.829 ( 1.961 -1.760 -0.513) 2.684 9.912 ( -1.906 9.292 -2.916) 9.924 10.155 ( -5.977 -3.973 0.598) 7.202 10.308 ( 1.615 6.169 3.845) 7.446 10.502 ( 4.442 7.526 -4.839) 9.989 11.171 ( -3.136 -1.122 4.538) 5.629 11.328 ( -0.028 -3.304 3.451) 4.778 11.481 ( 1.764 1.055 2.082) 2.926 11.581 ( 8.772 4.568 -3.591) 10.522 11.662 ( -3.303 2.083 -2.795) 4.802 11.899 ( -4.545 1.918 -7.472) 8.953 12.279 ( -0.096 -2.128 -0.540) 2.198 12.345 ( 4.332 -4.124 0.993) 6.063 12.373 ( -0.185 1.145 0.475) 1.253 12.511 ( 1.941 -0.199 1.397) 2.400 12.651 ( -4.415 -0.552 -1.700) 4.763 12.806 ( -0.270 6.337 1.863) 6.611 13.437 ( 2.506 -6.325 5.506) 8.752 13.579 ( -6.677 -2.502 -1.787) 7.350 13.748 ( 1.519 -3.286 0.526) 3.658 13.915 ( -1.217 8.411 -1.002) 8.558 14.214 ( 1.818 -3.458 -6.997) 8.014 14.584 ( 1.369 2.356 3.490) 4.428 15.136 ( -2.618 -5.186 -2.495) 6.323 15.338 ( -2.627 -0.014 3.282) 4.204 15.424 ( -0.251 -5.505 1.944) 5.843 15.594 ( -3.535 -10.180 -0.446) 10.785 15.963 ( 10.783 0.495 4.217) 11.589 16.238 ( -9.112 4.770 -5.489) 11.658 16.285 ( 0.711 -1.208 0.503) 1.489 16.619 ( 0.494 -9.574 1.389) 9.687 16.982 ( 0.792 -1.610 -1.103) 2.106 17.186 ( -1.253 -3.311 -0.141) 3.543 17.316 ( 1.904 -0.970 0.734) 2.259 17.490 ( -1.348 -0.322 0.793) 1.597 19.951 ( 3.442 -4.774 1.103) 5.988 20.058 ( 5.068 -10.178 -2.492) 11.640 20.477 ( -2.991 12.136 2.798) 12.809 20.635 ( 1.413 10.557 -3.903) 11.344 22.439 ( -4.078 -14.464 2.868) 15.299 22.637 ( 2.464 -9.365 -3.287) 10.226 22.888 ( -3.468 7.871 4.470) 9.693 23.112 ( 2.276 9.923 -2.667) 10.524 27.644 ( 0.600 -20.942 -1.789) 21.027 27.823 ( -4.074 -24.116 7.104) 25.468 28.418 ( 0.204 23.435 0.489) 23.441 28.996 ( 7.244 18.222 -7.079) 20.847 30.789 ( -2.487 -8.887 -0.139) 9.229 30.845 ( -2.521 -6.734 2.245) 7.533 30.949 ( -2.372 -13.031 -1.148) 13.295 31.232 ( 0.477 -1.258 -0.790) 1.560 31.385 ( 1.931 4.855 2.858) 5.956 31.459 ( -0.841 9.746 -0.863) 9.820 31.564 ( -2.460 2.151 2.479) 4.102 32.356 ( 12.248 4.658 -16.705) 21.231 32.999 ( 6.011 -4.819 -3.423) 8.430 33.145 ( 5.513 -7.503 -1.444) 9.422 33.235 ( -5.879 5.795 4.264) 9.291 33.487 ( 0.225 6.163 -4.419) 7.587 35.411 ( -1.340 -1.178 1.912) 2.616 35.510 ( 0.149 -0.859 -0.631) 1.076 35.746 ( -3.267 -0.587 5.363) 6.307 35.879 ( 0.063 -0.313 0.932) 0.985 36.177 ( -4.258 -3.686 6.621) 8.692 36.375 ( -0.522 -2.835 2.178) 3.613 36.958 ( -7.981 -7.446 6.152) 12.529 37.968 ( 6.023 19.589 -8.170) 22.062======================= Grid point 146 (70/114) =======================q-point: (-0.38 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.802 ( 4.639 8.937 6.883) 12.197 2.152 ( 1.151 16.222 0.822) 16.284 2.205 ( 4.995 1.775 -4.048) 6.670 2.482 ( -6.012 -0.725 -0.392) 6.068 2.632 ( 4.257 -2.710 2.576) 5.666 2.818 ( 0.228 -6.640 -2.200) 6.999 2.967 ( -0.247 0.036 -1.200) 1.225 3.162 ( 2.543 -0.948 -3.120) 4.135 3.402 ( -4.562 -1.505 5.324) 7.171 3.428 ( -1.478 10.820 -1.784) 11.065 3.505 ( 0.283 1.988 -4.037) 4.509 3.624 ( -2.356 7.379 6.543) 10.139 3.680 ( -0.531 -3.023 -1.285) 3.327 3.798 ( 3.211 -4.333 -7.678) 9.383 4.061 ( 0.730 -2.167 -2.492) 3.382 4.160 ( -0.687 0.608 0.469) 1.030 4.398 ( 10.474 -5.391 3.251) 12.221 4.542 ( -9.093 -7.567 -1.569) 11.933 4.670 ( -2.301 3.389 -4.624) 6.178 4.825 ( 4.239 1.474 -0.100) 4.489 5.056 ( 1.746 -1.405 2.579) 3.416 5.109 ( 5.234 -4.334 -0.123) 6.796 5.243 ( -1.564 -1.312 -0.653) 2.143 5.510 ( -1.599 -0.435 5.637) 5.876 5.666 ( 1.468 2.047 -4.848) 5.463 5.792 ( 1.460 -0.095 2.584) 2.969 5.877 ( -4.993 0.652 3.452) 6.105 6.032 ( -1.298 3.041 -3.682) 4.948 6.126 ( -2.550 2.112 5.038) 6.029 6.301 ( -0.193 -7.461 -4.959) 8.961 7.706 ( -0.609 0.787 1.118) 1.497 7.844 ( -0.615 -0.096 -0.265) 0.677 8.044 ( 1.776 -0.717 3.782) 4.239 8.402 ( 1.595 3.393 -3.820) 5.352 8.867 ( -0.099 -1.485 2.384) 2.811 8.908 ( -0.461 0.926 -1.474) 1.800 9.069 ( -1.678 1.484 -1.994) 2.999 9.171 ( 0.260 0.566 0.057) 0.625 9.310 ( -3.111 -1.926 1.179) 3.844 9.344 ( 1.429 0.681 1.988) 2.541 9.705 ( -2.353 7.764 -3.108) 8.687 9.798 ( 0.026 -4.568 -0.352) 4.582 9.875 ( 2.733 -3.825 -1.188) 4.849 10.200 ( -3.257 -0.773 2.760) 4.339 10.233 ( -1.184 0.121 0.187) 1.205 10.425 ( 6.117 3.603 -1.245) 7.207 11.176 ( -4.092 0.157 4.867) 6.361 11.373 ( 0.162 0.293 1.578) 1.613 11.448 ( -2.819 3.331 0.938) 4.464 11.571 ( 2.394 2.223 -3.576) 4.844 11.583 ( 1.187 -0.006 -1.201) 1.689 11.850 ( 0.993 -0.188 0.017) 1.010 12.319 ( -1.603 -2.408 -1.845) 3.431 12.360 ( 0.756 1.732 2.141) 2.856 12.381 ( 3.382 0.361 -2.744) 4.370 12.588 ( -0.469 -1.832 -1.365) 2.332 12.653 ( -1.975 7.193 1.257) 7.564 12.704 ( -0.012 -9.317 -1.129) 9.386 13.573 ( -2.086 0.367 3.278) 3.903 13.595 ( -0.252 -5.048 -1.544) 5.285 13.770 ( 1.010 5.613 0.782) 5.757 13.824 ( 3.115 -4.607 1.124) 5.674 14.171 ( 2.763 6.532 0.512) 7.111 14.599 ( -1.559 -1.097 -0.338) 1.935 15.224 ( 1.824 -5.330 -1.643) 5.869 15.269 ( -0.801 4.299 2.309) 4.945 15.540 ( -1.063 -5.675 0.948) 5.851 15.673 ( -5.083 -2.705 -2.365) 6.225 15.973 ( 3.917 9.510 1.391) 10.379 16.163 ( 2.336 -5.632 2.248) 6.498 16.247 ( -5.303 6.100 2.673) 8.514 16.800 ( 2.327 -10.235 -7.173) 12.713 17.010 ( 3.259 -0.447 -0.626) 3.348 17.203 ( -3.195 -0.504 -1.060) 3.403 17.331 ( 2.913 1.826 2.066) 4.011 17.483 ( -2.698 0.478 0.740) 2.838 20.056 ( 2.507 -1.395 -1.764) 3.368 20.120 ( -0.850 6.638 -0.891) 6.752 20.409 ( 2.209 -7.852 -0.085) 8.157 20.468 ( -0.480 5.075 -1.764) 5.395 22.610 ( -2.432 1.983 3.740) 4.882 22.700 ( -1.609 -3.254 2.411) 4.358 22.870 ( 2.930 -1.678 -3.045) 4.546 22.952 ( -0.555 1.580 -1.671) 2.366 27.978 ( -0.865 20.114 0.355) 20.135 28.032 ( 3.240 -20.845 0.882) 21.114 28.267 ( -3.817 -19.757 6.060) 21.015 28.664 ( 3.101 17.753 -13.587) 22.570 30.869 ( -1.209 0.681 3.241) 3.525 30.981 ( 0.551 -6.745 3.197) 7.485 31.093 ( 1.307 -3.777 -2.235) 4.579 31.227 ( -0.891 9.299 -0.685) 9.367 31.310 ( 3.845 -1.447 1.337) 4.320 31.330 ( 3.440 -1.134 -1.909) 4.094 31.580 ( -7.936 -1.027 8.298) 11.528 32.215 ( 8.407 8.814 -16.888) 20.822 33.010 ( -0.509 7.049 2.299) 7.432 33.141 ( -1.686 0.469 -1.316) 2.190 33.327 ( 4.552 -2.894 -0.441) 5.412 33.381 ( -1.069 -2.182 -1.459) 2.834 35.425 ( -1.204 -0.078 2.297) 2.594 35.515 ( 0.379 0.352 -0.335) 0.616 35.749 ( -3.134 1.010 5.528) 6.434 35.871 ( -1.864 0.582 -0.205) 1.963 36.216 ( -5.700 -0.853 5.319) 7.843 36.416 ( -2.753 -1.693 5.542) 6.416 37.178 ( 4.593 -15.261 -0.630) 15.949 37.661 ( 1.707 12.171 -7.199) 14.244======================= Grid point 147 (71/114) =======================q-point: (-0.25 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.712 ( 5.534 13.197 15.019) 20.745 1.867 ( -2.515 16.658 8.769) 18.993 2.131 ( 3.261 6.730 -6.780) 10.094 2.377 ( -8.767 3.537 -6.650) 11.558 2.557 ( -0.506 8.144 1.825) 8.361 2.809 ( 1.210 7.371 4.695) 8.823 2.996 ( 6.278 4.830 -1.462) 8.055 3.227 ( 1.683 4.570 3.615) 6.066 3.302 ( 5.612 -9.935 4.425) 12.239 3.348 ( -3.643 7.650 2.932) 8.966 3.513 ( -0.021 0.528 5.696) 5.721 3.612 ( 0.419 -4.447 -1.554) 4.730 3.683 ( -1.477 0.147 -3.972) 4.240 3.876 ( 6.750 -3.481 -5.498) 9.376 4.076 ( -0.887 -1.035 -2.715) 3.038 4.166 ( -0.846 -1.482 2.501) 3.028 4.498 ( -6.139 -3.424 -4.023) 8.099 4.607 ( -1.901 -0.409 -3.367) 3.888 4.663 ( 2.730 -8.299 1.214) 8.820 4.835 ( 4.668 2.417 1.478) 5.460 5.045 ( -0.704 -1.483 -8.245) 8.407 5.249 ( -4.137 -0.908 -4.233) 5.988 5.321 ( 10.173 -8.455 4.140) 13.861 5.556 ( 0.325 1.477 0.701) 1.666 5.601 ( -3.552 -1.950 2.781) 4.915 5.755 ( -3.068 3.883 4.830) 6.916 5.880 ( 0.667 -0.359 1.377) 1.572 5.941 ( -0.843 1.681 -3.389) 3.876 6.141 ( 0.596 -1.005 3.546) 3.733 6.360 ( -3.245 -3.874 -5.500) 7.469 7.723 ( 2.291 -0.417 3.007) 3.804 7.846 ( -1.049 -0.739 0.761) 1.492 8.093 ( 0.648 -0.932 2.814) 3.034 8.272 ( -1.217 6.702 -6.078) 9.130 8.861 ( -3.181 -1.420 -2.967) 4.575 8.928 ( 0.609 -2.257 0.121) 2.340 9.043 ( -1.810 -0.999 -0.454) 2.117 9.158 ( -1.359 -0.298 -1.489) 2.038 9.375 ( 1.228 -1.792 6.207) 6.576 9.414 ( 0.846 -8.136 0.103) 8.181 9.590 ( 0.206 2.124 -1.200) 2.448 9.788 ( -2.133 2.738 -1.398) 3.742 9.979 ( 5.576 -0.925 1.806) 5.934 10.206 ( -5.098 -3.638 6.581) 9.085 10.267 ( -1.324 -1.298 -1.624) 2.464 10.451 ( 5.266 -2.800 -1.678) 6.196 11.171 ( -3.663 -0.516 4.161) 5.568 11.338 ( -5.331 1.807 -1.029) 5.723 11.372 ( -2.039 2.123 0.010) 2.943 11.507 ( 2.076 2.001 -4.165) 5.065 11.671 ( 4.582 -3.065 5.240) 7.606 11.873 ( 1.488 1.361 3.375) 3.931 12.285 ( -0.519 5.297 0.262) 5.329 12.332 ( 1.445 1.242 -0.927) 2.119 12.381 ( -1.101 -1.536 -1.319) 2.304 12.534 ( 0.781 -0.607 -2.579) 2.762 12.688 ( -0.166 -5.536 -0.289) 5.546 12.871 ( 0.054 -8.647 -2.581) 9.025 13.507 ( -3.943 3.824 -0.103) 5.494 13.574 ( -0.111 3.066 -4.086) 5.110 13.764 ( 4.731 1.800 5.563) 7.521 13.984 ( 2.589 -2.967 1.562) 4.236 14.104 ( 5.075 1.239 7.882) 9.456 14.572 ( -2.347 0.322 -4.144) 4.774 15.173 ( 2.283 6.537 3.797) 7.897 15.375 ( 0.614 -7.674 -0.494) 7.715 15.469 ( -5.432 8.206 -6.032) 11.543 15.694 ( -1.703 -1.800 -1.801) 3.063 15.885 ( 6.595 5.093 3.206) 8.928 16.047 ( -7.233 9.620 2.593) 12.312 16.341 ( 3.505 -7.157 4.087) 8.956 16.880 ( -1.110 -3.533 -12.556) 13.091 17.039 ( 6.875 1.697 -2.687) 7.574 17.139 ( -4.081 3.004 -1.611) 5.317 17.333 ( 3.550 2.414 2.862) 5.159 17.434 ( -4.033 2.120 1.622) 4.836 19.894 ( -2.535 10.685 -0.549) 10.995 20.017 ( 3.411 7.877 -7.292) 11.263 20.501 ( -2.509 -8.494 3.619) 9.568 20.624 ( 2.935 -12.399 -1.941) 12.888 22.470 ( -2.121 10.776 6.258) 12.640 22.628 ( 3.095 11.845 -3.043) 12.615 22.927 ( -4.344 -8.659 2.446) 9.992 23.083 ( 1.870 -9.960 -4.153) 10.952 27.596 ( 0.536 21.717 2.494) 21.866 28.201 ( -2.805 21.283 -20.755) 29.860 28.466 ( 8.155 -20.747 3.099) 22.506 28.658 ( -6.270 -22.579 3.083) 23.635 30.805 ( 2.342 7.827 4.829) 9.490 30.982 ( 0.200 7.035 -1.218) 7.142 31.070 ( 3.922 7.600 1.472) 8.678 31.213 ( 4.103 -4.645 5.386) 8.211 31.366 ( -1.705 -6.612 -2.028) 7.123 31.474 ( 2.998 -2.351 -0.941) 3.924 31.560 ( -5.001 -2.473 6.806) 8.800 32.017 ( 6.447 9.113 -13.186) 17.277 32.857 ( -0.980 9.920 3.652) 10.617 33.046 ( -0.673 8.332 -2.422) 8.703 33.342 ( -2.296 -2.805 3.131) 4.790 33.538 ( 4.484 -8.507 -3.930) 10.388 35.423 ( -1.149 0.795 2.666) 3.010 35.499 ( 0.732 1.603 -0.302) 1.788 35.723 ( -4.004 2.609 6.396) 7.985 35.839 ( -1.427 0.643 -1.144) 1.938 36.200 ( -4.686 -0.217 1.254) 4.856 36.423 ( -0.589 2.922 0.855) 3.101 37.489 ( -7.848 -12.531 3.831) 15.274 37.554 ( 9.683 -6.904 -5.364) 13.046======================= Grid point 148 (72/114) =======================q-point: (-0.12 0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.546 ( 2.217 17.380 13.110) 21.883 1.646 ( -3.205 12.302 17.949) 21.995 2.019 ( 5.142 2.933 -6.805) 9.020 2.257 ( -0.318 -2.220 -9.198) 9.468 2.485 ( -0.064 4.020 14.969) 15.500 2.714 ( 1.296 8.252 6.006) 10.288 2.919 ( 9.222 11.320 5.230) 15.509 3.118 ( 1.939 11.902 5.318) 13.180 3.294 ( 0.369 -3.211 -5.648) 6.507 3.492 ( 1.218 1.781 3.078) 3.759 3.510 ( 2.067 -1.027 -5.170) 5.662 3.640 ( -0.357 4.807 -2.689) 5.519 3.694 ( 0.864 -5.627 1.135) 5.804 3.903 ( -1.590 -2.632 -8.154) 8.714 4.067 ( 3.783 0.469 1.782) 4.208 4.224 ( -2.621 -4.375 3.263) 6.055 4.523 ( -5.226 -5.193 -2.428) 7.757 4.588 ( -2.673 -1.593 -1.860) 3.625 4.764 ( 2.224 -0.183 0.112) 2.235 4.840 ( 1.204 -1.418 0.329) 1.889 5.020 ( -4.058 -0.082 -7.145) 8.217 5.098 ( -2.906 4.856 -8.648) 10.335 5.496 ( -4.556 2.619 3.599) 6.370 5.581 ( 8.442 -9.359 2.396) 12.830 5.671 ( 1.525 1.981 6.609) 7.066 5.760 ( -3.036 -5.209 5.772) 8.347 5.898 ( -1.897 -2.988 -2.819) 4.525 5.976 ( 4.457 -5.489 -2.270) 7.426 6.193 ( 2.173 -1.245 3.067) 3.959 6.332 ( -6.447 -0.696 -4.482) 7.883 7.775 ( 5.230 0.292 3.685) 6.405 7.856 ( -3.454 -1.072 0.117) 3.618 8.068 ( -4.139 2.090 -0.610) 4.677 8.176 ( 3.392 1.558 -2.407) 4.442 8.874 ( -1.934 -3.793 -0.412) 4.277 8.983 ( 0.276 -4.905 -2.717) 5.614 9.075 ( -0.674 -2.923 1.096) 3.194 9.153 ( -0.416 -0.850 -0.700) 1.177 9.445 ( -0.341 -1.649 5.553) 5.803 9.554 ( 0.012 -5.281 -3.125) 6.136 9.637 ( 0.299 -4.458 2.794) 5.270 9.710 ( 4.832 3.284 -1.606) 6.059 9.998 ( 3.195 3.655 4.090) 6.347 10.175 ( -4.584 4.714 -0.116) 6.577 10.335 ( -3.664 -7.001 4.006) 8.859 10.552 ( 2.362 -5.921 -3.914) 7.481 11.208 ( 0.606 -3.381 2.630) 4.327 11.255 ( -8.166 0.392 -1.192) 8.262 11.315 ( -2.875 2.643 -0.228) 3.912 11.482 ( 4.287 1.015 -4.370) 6.206 11.774 ( 5.865 1.326 5.471) 8.129 11.843 ( -2.106 1.458 2.127) 3.329 12.255 ( 1.222 -0.953 6.795) 6.969 12.365 ( 1.427 -4.476 -0.215) 4.703 12.420 ( 0.844 -3.167 0.200) 3.284 12.560 ( 0.192 -2.779 -2.780) 3.935 12.767 ( 1.832 -2.359 -1.967) 3.576 12.941 ( -1.484 -2.021 -5.508) 6.051 13.427 ( -5.758 0.770 1.178) 5.927 13.524 ( 3.148 0.623 -3.674) 4.878 13.775 ( 4.597 5.238 6.390) 9.455 13.892 ( -3.381 7.846 1.852) 8.742 14.340 ( 10.170 -9.998 5.935) 15.447 14.539 ( -3.218 -2.262 -4.414) 5.913 15.085 ( 0.949 8.153 3.995) 9.128 15.238 ( -3.969 8.974 -4.261) 10.698 15.448 ( -1.381 1.110 -0.470) 1.833 15.608 ( 4.213 9.510 -2.367) 10.668 15.769 ( 0.069 9.179 3.244) 9.736 15.989 ( -1.898 -1.398 -4.250) 4.860 16.486 ( 0.687 -5.161 3.166) 6.093 16.766 ( -0.848 5.598 -12.858) 14.049 16.994 ( -0.741 2.895 -0.252) 2.999 17.065 ( 2.312 3.085 -3.109) 4.953 17.328 ( 3.494 2.923 3.795) 5.929 17.390 ( -3.800 1.389 2.065) 4.543 19.719 ( 0.216 7.032 -0.271) 7.041 19.854 ( 1.462 6.702 -7.063) 9.846 20.693 ( -2.055 -11.480 4.000) 12.329 20.844 ( 1.906 -11.474 -2.661) 11.932 22.284 ( -3.745 11.342 4.618) 12.806 22.411 ( 3.668 13.075 -2.589) 13.825 23.051 ( -5.142 -7.689 3.215) 9.792 23.236 ( 2.575 -7.768 -4.297) 9.244 27.260 ( 0.562 18.118 2.801) 18.342 27.617 ( -4.722 26.768 -17.707) 32.441 28.929 ( 8.621 -20.846 4.151) 22.937 29.028 ( -4.265 -22.400 0.267) 22.804 30.716 ( 2.524 7.366 4.652) 9.070 30.849 ( -0.181 5.989 -1.967) 6.306 30.970 ( 0.869 8.410 3.685) 9.223 31.205 ( -4.492 8.936 1.249) 10.080 31.420 ( -0.496 -3.150 -1.115) 3.378 31.536 ( 10.400 -3.953 -2.164) 11.335 31.705 ( -1.361 -8.490 3.214) 9.180 31.900 ( 14.347 4.865 -7.102) 16.732 32.708 ( 2.271 9.469 4.344) 10.663 32.855 ( -0.649 10.523 -1.355) 10.630 33.399 ( -3.275 -3.309 3.507) 5.829 33.673 ( 4.362 -5.937 -6.122) 9.579 35.412 ( -1.449 1.040 2.902) 3.406 35.476 ( 1.286 1.368 -0.332) 1.907 35.672 ( -3.991 3.389 6.580) 8.409 35.826 ( -0.066 -0.497 -1.272) 1.368 36.170 ( -4.246 -0.424 -2.019) 4.721 36.303 ( 1.805 8.932 -4.722) 10.263 37.608 ( -26.313 -16.327 10.234) 32.614 37.885 ( 17.029 -13.903 -4.109) 22.364======================= Grid point 151 (73/114) =======================q-point: ( 0.25 0.25 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.709 ( 7.932 -0.000 -16.803) 18.581 2.149 ( -2.693 0.000 4.141) 4.939 2.233 ( 18.244 -0.000 -19.125) 26.431 2.332 ( 6.412 -0.000 15.341) 16.627 2.540 ( -3.911 0.000 0.752) 3.982 2.692 ( -1.412 0.000 0.398) 1.467 2.881 ( 3.331 -0.000 -6.970) 7.725 2.934 ( 8.704 -0.000 -1.330) 8.805 3.078 ( 5.359 -0.000 -16.118) 16.986 3.118 ( 8.288 -0.000 8.633) 11.968 3.354 ( -0.297 0.000 4.163) 4.173 3.437 ( -1.623 0.000 1.195) 2.016 3.758 ( -1.511 0.000 0.513) 1.596 3.960 ( -6.602 0.000 2.636) 7.109 4.107 ( -7.842 0.000 4.681) 9.133 4.246 ( -4.716 0.000 -14.310) 15.067 4.386 ( -7.309 0.000 3.361) 8.045 4.548 ( -5.582 0.000 0.736) 5.630 4.768 ( 1.249 -0.000 1.825) 2.212 4.902 ( -4.421 0.000 -6.394) 7.773 4.993 ( 3.563 -0.000 2.492) 4.348 5.037 ( 5.601 -0.000 15.206) 16.205 5.403 ( -5.605 0.000 3.111) 6.410 5.554 ( -8.903 0.000 -4.938) 10.181 5.689 ( -1.431 0.000 -2.559) 2.932 5.818 ( -5.107 0.000 -9.681) 10.946 5.941 ( -1.215 0.000 5.734) 5.861 6.088 ( 0.475 -0.000 -1.813) 1.875 6.333 ( 3.671 -0.000 3.227) 4.888 6.373 ( 0.936 -0.000 0.328) 0.992 7.847 ( 5.825 -0.000 -1.571) 6.034 7.972 ( 4.124 -0.000 3.200) 5.220 8.095 ( 1.744 -0.000 0.489) 1.811 8.267 ( 3.667 -0.000 2.112) 4.232 8.897 ( -7.881 0.000 -4.310) 8.982 8.962 ( -4.825 0.000 1.515) 5.057 9.228 ( -8.491 0.000 0.783) 8.527 9.267 ( 4.266 -0.000 -0.120) 4.268 9.413 ( 5.834 -0.000 -3.515) 6.811 9.421 ( -3.754 0.000 -0.510) 3.789 9.714 ( 6.777 -0.000 -0.317) 6.784 9.780 ( -3.713 0.000 -3.634) 5.196 10.113 ( 1.648 -0.000 2.480) 2.978 10.121 ( 11.503 -0.000 4.038) 12.191 10.556 ( 0.358 -0.000 7.472) 7.481 10.787 ( 5.421 -0.000 -2.097) 5.813 11.071 ( -1.772 0.000 -2.988) 3.474 11.138 ( -6.106 0.000 6.352) 8.811 11.475 ( 4.094 -0.000 -1.038) 4.223 11.691 ( -2.224 0.000 -5.044) 5.512 11.813 ( 11.148 -0.000 5.676) 12.510 11.924 ( 4.700 -0.000 4.483) 6.495 12.342 ( -6.669 0.000 -2.147) 7.006 12.363 ( -12.489 0.000 -10.151) 16.094 12.519 ( -3.691 0.000 1.127) 3.859 12.620 ( 3.391 -0.000 -14.762) 15.147 12.778 ( 7.078 -0.000 0.201) 7.081 12.824 ( -0.148 0.000 7.140) 7.142 13.397 ( -1.794 0.000 -0.604) 1.893 13.481 ( 3.596 -0.000 2.586) 4.430 13.621 ( -4.290 0.000 2.465) 4.948 13.757 ( -0.280 0.000 0.484) 0.559 14.415 ( -17.062 0.000 -9.142) 19.357 14.584 ( 1.291 -0.000 -1.081) 1.684 14.618 ( -1.998 0.000 -2.481) 3.185 14.967 ( 1.229 -0.000 -0.268) 1.258 15.116 ( -8.242 0.000 1.969) 8.474 15.276 ( 0.436 -0.000 -3.411) 3.439 15.641 ( 12.388 -0.000 0.624) 12.403 16.216 ( 9.814 -0.000 1.485) 9.926 16.556 ( -6.193 0.000 -1.107) 6.291 16.615 ( -5.385 0.000 -1.145) 5.506 16.916 ( -1.080 0.000 0.514) 1.196 17.012 ( 0.353 -0.000 -0.175) 0.394 17.112 ( -4.359 0.000 -1.308) 4.551 17.482 ( 2.100 -0.000 1.925) 2.849 19.680 ( 4.905 -0.000 -2.155) 5.358 19.898 ( 7.946 -0.000 4.451) 9.108 21.045 ( -0.028 0.000 2.284) 2.285 21.052 ( 1.004 -0.000 -1.020) 1.431 21.862 ( -6.170 0.000 2.835) 6.790 22.169 ( 2.422 -0.000 -2.622) 3.569 23.250 ( -1.868 0.000 2.717) 3.297 23.394 ( 3.014 -0.000 -2.502) 3.917 26.903 ( -0.151 0.000 0.200) 0.251 26.904 ( -0.073 0.000 -0.093) 0.118 29.428 ( 0.251 -0.000 -1.847) 1.864 29.631 ( 3.190 -0.000 -0.870) 3.306 30.168 ( -11.573 0.000 -3.844) 12.195 30.609 ( -2.188 0.000 -0.705) 2.299 30.641 ( -3.136 0.000 1.985) 3.712 31.056 ( 3.416 -0.000 -2.478) 4.220 31.242 ( -0.915 0.000 2.299) 2.474 31.858 ( -2.012 0.000 -1.789) 2.693 32.068 ( 3.795 -0.000 -0.003) 3.795 32.203 ( 9.565 -0.000 -6.134) 11.363 32.567 ( 0.808 -0.000 -4.527) 4.598 33.036 ( 32.232 -0.000 -21.835) 38.932 33.439 ( -5.916 0.000 7.290) 9.388 33.706 ( 4.408 -0.000 -10.837) 11.700 35.349 ( -2.881 0.000 1.544) 3.269 35.502 ( 1.648 -0.000 -1.453) 2.197 35.673 ( -3.253 0.000 6.071) 6.887 35.774 ( 1.724 -0.000 -5.258) 5.533 36.050 ( -0.006 0.000 0.043) 0.044 36.142 ( 0.639 -0.000 9.139) 9.161 37.107 ( -33.160 0.000 16.971) 37.250 38.728 ( 8.227 -0.000 2.279) 8.537======================= Grid point 152 (74/114) =======================q-point: ( 0.38 0.25 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.750 ( 7.050 -7.395 -15.193) 18.309 2.048 ( -3.854 9.732 -2.531) 10.769 2.166 ( 1.470 -0.353 -0.599) 1.626 2.357 ( 8.059 -6.229 -8.923) 13.541 2.576 ( 4.751 0.985 1.785) 5.170 2.766 ( 1.750 0.086 -9.005) 9.174 2.973 ( 8.843 -8.658 -6.402) 13.934 3.029 ( 5.484 2.159 -2.455) 6.384 3.089 ( -5.403 -9.819 -5.030) 12.285 3.292 ( 10.604 -5.470 2.226) 12.138 3.374 ( -0.141 0.413 6.885) 6.898 3.510 ( 1.493 -6.298 4.605) 7.944 3.745 ( 0.599 0.893 -1.799) 2.096 3.854 ( -4.221 5.851 2.544) 7.650 4.087 ( -5.824 -1.352 0.546) 6.004 4.203 ( -4.209 -4.309 -0.052) 6.024 4.357 ( -7.394 0.133 3.987) 8.401 4.499 ( -2.038 2.898 1.643) 3.906 4.721 ( -0.901 1.884 -1.704) 2.696 4.841 ( -3.611 0.388 -4.008) 5.409 5.027 ( -1.107 -0.872 -1.838) 2.316 5.149 ( 7.069 4.083 17.843) 19.622 5.350 ( -4.442 2.087 2.306) 5.423 5.513 ( -4.696 -4.715 -3.334) 7.443 5.696 ( -1.656 -3.727 -5.073) 6.509 5.718 ( -5.686 1.904 -7.912) 9.927 5.930 ( -2.048 0.213 0.485) 2.115 6.077 ( -0.267 -0.018 -4.168) 4.177 6.250 ( 2.119 9.234 1.688) 9.623 6.378 ( 0.088 3.309 2.754) 4.306 7.842 ( 5.448 3.814 -0.355) 6.660 7.992 ( -2.037 2.716 -1.610) 3.758 8.106 ( 1.829 1.876 3.649) 4.492 8.302 ( 5.247 -1.848 1.075) 5.666 8.808 ( -3.947 0.282 0.944) 4.068 8.967 ( -2.025 0.419 1.830) 2.761 9.154 ( -7.365 -0.050 0.587) 7.388 9.276 ( 2.195 1.369 -1.464) 2.972 9.400 ( 3.092 1.352 -2.961) 4.490 9.439 ( -1.917 -1.253 -1.627) 2.809 9.689 ( -0.728 3.376 -3.848) 5.171 9.781 ( 3.637 -1.899 -2.574) 4.844 10.123 ( -0.531 1.355 2.872) 3.220 10.185 ( 8.799 4.341 1.039) 9.866 10.520 ( -4.373 5.682 4.812) 8.635 10.762 ( 3.841 4.989 -4.040) 7.481 11.085 ( -0.549 -2.906 1.962) 3.549 11.162 ( -4.442 -4.016 4.355) 7.404 11.488 ( 2.054 -0.062 -1.918) 2.811 11.659 ( -3.095 -1.345 -4.561) 5.674 11.847 ( 12.684 7.617 3.000) 15.097 11.973 ( -1.221 0.977 -1.361) 2.073 12.184 ( -5.215 0.959 -5.186) 7.417 12.335 ( -0.647 -0.678 -0.072) 0.940 12.444 ( -1.806 3.616 -8.058) 9.015 12.600 ( -2.950 -2.834 -1.951) 4.532 12.731 ( 6.235 9.300 2.170) 11.405 12.855 ( 0.491 0.590 6.651) 6.695 13.334 ( -1.621 1.663 1.505) 2.767 13.606 ( -1.382 -1.723 2.374) 3.243 13.656 ( 0.861 -2.228 -2.029) 3.134 13.795 ( 1.799 -9.357 2.921) 9.966 14.189 ( -8.643 5.207 -6.909) 12.228 14.647 ( 2.257 -4.969 -1.945) 5.794 14.830 ( -2.718 -18.253 -0.705) 18.467 15.040 ( -1.062 -8.236 1.972) 8.535 15.145 ( -5.701 -6.485 1.376) 8.744 15.247 ( 0.913 -1.071 -0.857) 1.648 15.820 ( 12.364 -7.325 -0.504) 14.380 16.262 ( 4.489 1.526 0.144) 4.743 16.449 ( -6.938 4.761 -1.461) 8.540 16.519 ( -4.873 4.433 0.378) 6.599 16.913 ( -0.196 -0.959 -0.591) 1.144 17.049 ( 0.275 -3.694 0.079) 3.705 17.156 ( -1.505 -6.224 -0.291) 6.410 17.496 ( -0.170 0.060 0.233) 0.295 19.756 ( 5.733 -4.793 -0.833) 7.519 19.944 ( 5.341 2.617 3.048) 6.683 20.929 ( -1.412 10.699 2.640) 11.110 21.002 ( 1.871 7.569 -2.101) 8.075 21.939 ( -5.565 -10.864 3.352) 12.659 22.255 ( 1.744 -8.862 -3.659) 9.745 23.188 ( -2.804 6.357 3.315) 7.699 23.366 ( 2.479 3.852 -2.875) 5.408 27.013 ( 0.335 -11.814 -0.720) 11.841 27.047 ( -1.246 -15.316 2.513) 15.571 29.205 ( 1.750 19.699 0.355) 19.780 29.573 ( 2.986 10.136 -3.961) 11.285 30.255 ( -4.178 -16.817 -3.372) 17.653 30.634 ( -1.827 -3.909 1.413) 4.541 30.660 ( -2.737 -3.020 2.938) 5.024 31.118 ( 2.489 -4.172 -0.411) 4.876 31.286 ( 0.199 -3.469 3.951) 5.261 31.759 ( -1.495 7.132 -1.840) 7.516 31.953 ( 2.637 11.739 -2.237) 12.238 32.302 ( 5.683 -5.588 -8.348) 11.542 32.657 ( 2.242 -10.290 -3.982) 11.259 33.108 ( 25.218 2.177 -23.064) 34.244 33.410 ( -5.955 2.818 6.989) 9.604 33.655 ( 3.602 2.680 -9.580) 10.579 35.354 ( -1.881 -1.484 2.016) 3.132 35.494 ( 1.065 0.675 -1.507) 1.965 35.689 ( -4.272 -1.471 4.972) 6.718 35.805 ( 2.226 -4.057 -4.278) 6.302 36.076 ( 1.033 -1.719 2.627) 3.306 36.219 ( 1.221 -2.248 7.653) 8.070 36.954 ( -25.833 2.795 20.296) 32.971 38.643 ( 3.029 13.519 -3.244) 14.229======================= Grid point 153 (75/114) =======================q-point: ( 0.50 0.25 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.891 ( 5.279 -9.943 -10.482) 15.382 1.970 ( 3.521 -3.664 5.318) 7.356 2.235 ( -2.564 -4.227 4.179) 6.473 2.528 ( 11.534 -7.320 -9.292) 16.521 2.557 ( 6.236 4.200 0.074) 7.519 2.745 ( -1.420 -0.362 -9.613) 9.724 2.970 ( -2.773 1.811 -9.119) 9.702 3.074 ( -1.840 -9.244 -6.518) 11.460 3.169 ( 0.346 -2.211 1.327) 2.601 3.426 ( 1.796 -6.540 -9.360) 11.559 3.449 ( 6.736 -2.257 4.387) 8.349 3.579 ( -3.011 0.270 -0.261) 3.034 3.740 ( 2.443 -1.240 -3.857) 4.731 3.831 ( 2.624 3.256 8.700) 9.653 4.069 ( -5.998 -0.421 -0.849) 6.073 4.241 ( 0.660 2.927 9.697) 10.150 4.321 ( -6.665 -2.705 1.100) 7.277 4.428 ( 0.087 4.586 0.810) 4.658 4.724 ( -2.824 -1.856 -1.060) 3.541 4.809 ( -0.699 -1.168 -1.861) 2.305 5.001 ( -3.703 -1.441 -0.919) 4.079 5.185 ( 3.711 4.353 10.827) 12.245 5.305 ( -2.445 2.361 -0.481) 3.433 5.580 ( -2.393 0.770 -4.074) 4.787 5.595 ( 0.517 -1.820 2.322) 2.996 5.730 ( -1.728 -4.233 -3.397) 5.696 5.950 ( -1.766 -5.884 -5.919) 8.531 6.020 ( 2.321 5.269 -2.362) 6.224 6.129 ( -1.259 4.260 0.853) 4.523 6.301 ( -2.275 5.967 4.418) 7.765 7.810 ( 3.819 4.687 1.610) 6.257 7.889 ( -2.568 2.793 -1.149) 3.964 8.080 ( 0.828 2.922 2.694) 4.060 8.402 ( 3.961 -2.790 -0.937) 4.935 8.834 ( -0.949 -2.666 2.360) 3.685 8.933 ( 1.440 3.661 4.128) 5.703 9.144 ( -5.742 -2.909 -1.010) 6.516 9.248 ( 1.594 2.242 -1.102) 2.963 9.341 ( 0.172 4.831 -2.144) 5.288 9.411 ( -2.514 0.817 -2.057) 3.350 9.639 ( 2.639 -0.447 -2.163) 3.442 9.822 ( 3.021 -1.371 -4.301) 5.432 10.050 ( -4.961 8.105 -1.015) 9.557 10.116 ( 1.687 4.393 1.171) 4.849 10.424 ( -1.972 3.997 3.095) 5.426 10.633 ( 2.046 7.804 -6.152) 10.145 11.146 ( -2.428 -2.363 4.875) 5.937 11.257 ( -1.005 -6.061 2.938) 6.810 11.496 ( 0.945 -0.524 -1.464) 1.819 11.633 ( -3.204 -0.876 -2.751) 4.313 11.783 ( 12.326 10.108 -3.903) 16.411 11.849 ( -5.886 3.393 -8.006) 10.500 12.224 ( -0.849 -5.393 2.831) 6.149 12.287 ( 0.766 1.236 -5.445) 5.636 12.408 ( -0.459 -0.018 1.694) 1.755 12.575 ( -0.927 1.470 -2.192) 2.797 12.653 ( 2.094 5.855 5.294) 8.166 12.882 ( 0.476 1.253 3.486) 3.735 13.368 ( 0.834 -4.314 3.456) 5.590 13.569 ( -2.530 2.222 2.312) 4.084 13.694 ( 0.302 -2.917 0.314) 2.949 13.950 ( -9.810 -2.076 -11.491) 15.251 14.124 ( 12.744 -3.835 7.010) 15.042 14.680 ( 2.086 2.590 -2.230) 4.004 15.019 ( -2.649 -4.680 -0.250) 5.383 15.207 ( -5.028 -11.673 5.130) 13.706 15.297 ( -2.228 -10.751 0.530) 10.992 15.393 ( 1.662 -10.855 1.862) 11.139 16.015 ( 10.583 -4.663 -0.510) 11.576 16.212 ( -5.297 3.447 -4.651) 7.847 16.337 ( 0.872 3.804 0.620) 3.952 16.467 ( -5.427 -4.266 2.835) 7.462 16.950 ( 1.788 -2.569 -0.276) 3.142 17.118 ( -0.940 -3.587 -0.250) 3.716 17.267 ( 1.144 -5.823 0.798) 5.988 17.483 ( -1.595 0.199 -0.562) 1.703 19.915 ( 5.552 -8.142 -0.777) 9.885 19.953 ( 3.121 0.300 1.602) 3.521 20.708 ( -2.585 13.666 2.802) 14.187 20.824 ( 1.954 11.424 -3.561) 12.125 22.157 ( -4.794 -14.956 3.555) 16.103 22.433 ( 2.016 -11.697 -4.738) 12.780 23.043 ( -3.910 8.904 4.336) 10.647 23.265 ( 1.780 7.279 -3.471) 8.258 27.297 ( 2.478 -18.710 -0.291) 18.876 27.400 ( -4.604 -22.865 4.787) 23.810 28.848 ( 2.625 22.837 2.283) 23.100 29.308 ( 2.095 17.101 -7.587) 18.825 30.560 ( 2.432 -16.825 0.379) 17.004 30.728 ( -0.501 -6.347 3.008) 7.041 30.743 ( -2.899 -7.190 3.125) 8.358 31.203 ( 2.262 -3.129 0.775) 3.938 31.398 ( -1.106 -5.370 5.985) 8.117 31.596 ( -1.121 8.617 -1.209) 8.773 31.721 ( 1.265 13.341 -3.788) 13.926 32.348 ( 5.654 -1.905 -16.492) 17.538 32.863 ( 3.614 -11.633 -3.382) 12.642 33.114 ( 12.273 0.310 -14.515) 19.010 33.330 ( -4.497 5.359 6.032) 9.238 33.563 ( 2.083 4.849 -6.668) 8.503 35.389 ( -0.791 -1.847 2.467) 3.182 35.491 ( 0.471 -0.636 -1.019) 1.291 35.713 ( -4.843 -2.175 4.210) 6.776 35.865 ( 1.205 -2.386 -2.014) 3.347 36.144 ( -0.321 -2.205 6.207) 6.594 36.318 ( 1.216 -4.269 2.240) 4.972 36.880 ( -14.072 -0.056 20.058) 24.502 38.308 ( 1.100 20.078 -10.311) 22.598======================= Grid point 154 (76/114) =======================q-point: (-0.38 -0.75 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.991 ( 12.185 -0.733 0.314) 12.211 2.266 ( -1.888 0.965 2.333) 3.153 2.325 ( 6.214 -17.116 8.434) 20.068 2.431 ( -2.981 6.661 -1.960) 7.556 2.609 ( 6.210 5.288 2.575) 8.553 2.783 ( 7.621 -3.427 -3.785) 9.173 2.861 ( -4.612 -1.530 -7.840) 9.224 3.117 ( -0.342 -2.630 -3.258) 4.200 3.300 ( -8.099 -11.445 0.089) 14.021 3.514 ( 5.761 -1.647 -5.485) 8.123 3.526 ( -1.025 -4.020 -13.318) 13.950 3.560 ( -1.130 -4.248 -6.122) 7.536 3.657 ( -2.198 5.781 -6.840) 9.222 3.765 ( -2.631 9.965 12.905) 16.516 4.005 ( -1.198 -0.714 -4.245) 4.469 4.276 ( 3.702 2.912 9.998) 11.052 4.334 ( -8.230 -3.607 -2.248) 9.263 4.433 ( 7.613 -2.336 6.250) 10.123 4.660 ( -5.333 2.266 -4.061) 7.076 4.859 ( 4.743 -3.044 -0.546) 5.662 5.005 ( -2.863 -1.130 -2.678) 4.080 5.195 ( -4.471 3.917 -4.834) 7.661 5.231 ( 6.158 1.210 9.486) 11.375 5.532 ( -2.047 0.730 4.246) 4.770 5.666 ( 1.543 -1.304 -3.653) 4.174 5.788 ( 0.785 -3.961 -0.156) 4.041 5.925 ( -0.840 4.807 4.108) 6.379 6.013 ( -0.261 -1.556 -3.095) 3.474 6.120 ( -1.803 -6.428 -3.834) 7.698 6.196 ( -3.650 5.661 4.392) 8.041 7.762 ( 2.676 3.501 2.515) 5.074 7.865 ( 0.428 0.735 2.168) 2.329 8.079 ( 3.068 0.570 2.776) 4.176 8.411 ( -2.778 0.516 -4.557) 5.362 8.872 ( -0.174 -0.722 0.138) 0.755 8.921 ( 2.114 2.070 4.013) 4.986 9.095 ( -2.748 3.399 -2.924) 5.259 9.209 ( 0.588 2.794 -0.355) 2.877 9.270 ( -1.753 0.367 -0.000) 1.791 9.374 ( -0.810 0.546 -2.620) 2.796 9.719 ( 2.897 -4.254 0.052) 5.147 9.802 ( -2.759 5.135 -1.476) 6.013 9.851 ( 1.109 2.878 -2.340) 3.871 10.104 ( -2.850 -2.900 -0.018) 4.066 10.333 ( -1.859 6.663 1.627) 7.106 10.517 ( 3.656 3.606 -3.660) 6.306 11.179 ( -3.010 -0.391 5.425) 6.216 11.369 ( 0.757 -3.624 3.208) 4.898 11.481 ( -1.419 1.950 -0.200) 2.420 11.586 ( -2.863 2.560 -2.096) 4.376 11.656 ( 5.572 6.732 -5.541) 10.347 11.787 ( -0.300 -4.230 -5.772) 7.163 12.256 ( -0.201 -1.827 -1.671) 2.484 12.334 ( -3.505 -2.901 -1.599) 4.823 12.427 ( 2.925 -1.897 1.835) 3.940 12.571 ( 0.178 -3.305 -1.134) 3.498 12.590 ( 1.113 5.222 4.355) 6.890 12.806 ( -1.409 8.265 -0.500) 8.399 13.488 ( 1.608 -5.534 2.584) 6.316 13.584 ( -1.113 -1.208 4.350) 4.649 13.759 ( 1.732 -4.617 -0.423) 4.950 13.822 ( -4.561 1.408 -6.057) 7.712 14.312 ( 12.351 1.238 3.422) 12.876 14.598 ( -3.194 3.457 1.092) 4.832 15.102 ( 0.167 -6.769 0.327) 6.779 15.347 ( -3.363 -3.340 4.409) 6.473 15.393 ( -1.431 -3.874 -1.979) 4.579 15.575 ( -0.194 -5.638 -0.170) 5.644 16.069 ( -7.375 1.026 -0.540) 7.465 16.167 ( 8.254 -2.004 1.321) 8.596 16.305 ( 3.549 3.536 1.915) 5.363 16.571 ( -4.907 -9.978 -3.758) 11.738 17.016 ( 3.900 -1.986 0.670) 4.428 17.150 ( -2.703 -2.066 -1.050) 3.560 17.365 ( 2.256 -2.333 1.633) 3.633 17.467 ( -2.204 -0.070 0.204) 2.215 20.010 ( 2.100 -3.832 1.357) 4.575 20.101 ( 3.728 -7.738 -2.241) 8.877 20.466 ( -2.252 11.453 2.630) 11.965 20.609 ( 1.279 11.307 -4.140) 12.109 22.409 ( -4.345 -14.645 3.275) 15.623 22.634 ( 3.123 -11.142 -4.835) 12.541 22.884 ( -3.953 7.971 5.100) 10.256 23.104 ( 1.521 9.786 -3.583) 10.532 27.690 ( 5.482 -21.260 1.433) 22.002 27.794 ( -6.630 -23.117 3.281) 24.272 28.468 ( 2.335 23.648 3.851) 24.073 28.934 ( -0.750 19.428 -11.481) 22.580 30.811 ( 1.133 -8.112 4.686) 9.436 30.884 ( 1.614 -7.447 5.919) 9.649 30.922 ( 0.122 -11.838 -0.509) 11.850 31.282 ( 4.913 -2.100 2.237) 5.792 31.425 ( 1.519 7.799 -0.664) 7.974 31.465 ( 1.168 9.702 0.419) 9.781 31.519 ( -6.305 -1.479 2.018) 6.783 32.264 ( 5.053 3.201 -22.370) 23.156 33.046 ( 4.012 -6.000 -2.514) 7.643 33.123 ( -2.099 -0.886 -3.635) 4.290 33.268 ( 2.144 0.311 3.261) 3.915 33.444 ( 0.316 6.200 -3.520) 7.137 35.423 ( -0.723 -0.904 2.655) 2.896 35.509 ( 0.571 -1.077 -0.562) 1.343 35.735 ( -4.930 -1.731 4.143) 6.668 35.875 ( -0.045 0.528 -1.144) 1.261 36.204 ( -3.323 -1.074 8.500) 9.189 36.387 ( -3.130 -2.185 4.373) 5.804 36.999 ( 1.151 -9.079 10.166) 13.679 37.894 ( 0.465 18.413 -13.375) 22.762======================= Grid point 155 (77/114) =======================q-point: (-0.25 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.057 ( 11.485 8.928 8.630) 16.915 2.152 ( -0.713 10.010 2.763) 10.409 2.346 ( 9.846 13.879 -0.069) 17.017 2.350 ( -6.205 1.086 0.105) 6.300 2.742 ( -0.178 7.673 -1.850) 7.895 2.825 ( -1.270 -8.996 6.882) 11.397 2.911 ( 5.282 -7.818 -4.899) 10.631 3.181 ( -5.862 -6.202 -4.906) 9.844 3.303 ( 0.016 4.276 0.694) 4.332 3.412 ( 0.379 2.235 2.726) 3.545 3.515 ( -0.416 -2.488 -4.602) 5.248 3.598 ( -3.518 -5.189 -1.667) 6.487 3.605 ( -0.866 0.042 -1.866) 2.058 3.769 ( 3.910 -6.344 -7.906) 10.864 4.039 ( 5.472 -1.296 -0.204) 5.627 4.283 ( -2.557 2.670 -0.102) 3.698 4.307 ( -5.832 -2.370 4.029) 7.474 4.554 ( -5.090 -0.258 -1.198) 5.235 4.619 ( 5.559 -3.549 3.035) 7.260 4.938 ( 7.736 0.568 1.016) 7.823 4.987 ( -1.339 -2.031 -6.424) 6.869 5.111 ( -5.864 -3.477 -7.634) 10.235 5.307 ( 5.534 0.304 8.275) 9.959 5.561 ( -0.380 -1.941 5.723) 6.055 5.607 ( -3.390 4.544 -4.073) 6.980 5.849 ( -2.924 -3.568 -2.134) 5.083 5.877 ( 2.662 5.101 5.719) 8.112 5.977 ( 1.387 3.748 -0.785) 4.073 6.137 ( -2.946 -0.451 3.379) 4.505 6.212 ( -2.526 -6.064 -3.747) 7.563 7.769 ( 4.994 1.209 3.928) 6.468 7.867 ( 0.265 0.808 1.608) 1.819 8.111 ( 1.527 0.657 2.588) 3.076 8.308 ( -5.178 2.833 -6.867) 9.055 8.845 ( 1.013 3.220 0.054) 3.376 8.928 ( 1.130 0.780 0.629) 1.510 9.025 ( -1.912 0.407 -0.185) 1.964 9.149 ( -1.406 2.248 -3.142) 4.111 9.301 ( 0.128 -4.351 0.091) 4.354 9.356 ( 0.098 -1.586 -3.338) 3.697 9.670 ( 0.150 5.092 3.984) 6.468 9.746 ( -4.687 -1.801 -0.032) 5.021 9.984 ( 8.647 -6.441 1.634) 10.905 10.149 ( -4.361 -5.357 -3.750) 7.860 10.233 ( -0.700 4.206 5.489) 6.950 10.482 ( 2.486 1.681 -3.396) 4.532 11.178 ( -3.167 1.011 5.380) 6.324 11.360 ( -2.373 4.082 -0.919) 4.810 11.411 ( -2.086 3.506 1.038) 4.210 11.527 ( 0.830 1.651 -4.183) 4.573 11.664 ( 4.689 -4.221 3.376) 7.156 11.856 ( 0.186 -4.457 -2.622) 5.174 12.277 ( -0.953 -0.776 -1.557) 1.984 12.331 ( -0.895 -1.865 -2.933) 3.589 12.453 ( 4.337 5.118 1.452) 6.864 12.572 ( -0.364 -0.667 -0.452) 0.884 12.606 ( -4.456 3.759 1.016) 5.918 12.700 ( 1.089 -7.072 -1.114) 7.242 13.544 ( -5.204 3.550 0.608) 6.328 13.583 ( 2.627 -0.332 -1.939) 3.282 13.795 ( 0.522 -3.826 2.169) 4.429 13.925 ( 5.172 -8.139 0.982) 9.694 14.279 ( 3.788 9.658 6.291) 12.133 14.546 ( -1.647 1.348 -3.981) 4.514 15.248 ( 0.469 -6.034 3.306) 6.896 15.335 ( 4.365 3.702 3.800) 6.870 15.481 ( -3.719 -8.162 -3.421) 9.599 15.525 ( -6.882 3.538 -4.710) 9.059 16.068 ( 4.162 1.134 4.270) 6.070 16.165 ( -6.379 6.771 0.033) 9.303 16.321 ( 8.934 -0.719 5.847) 10.702 16.674 ( -4.240 -9.017 -10.098) 14.186 17.083 ( 5.609 -0.881 -0.168) 5.681 17.132 ( -3.816 0.510 -1.531) 4.143 17.402 ( 2.040 0.815 2.173) 3.090 17.442 ( -2.958 1.217 0.717) 3.278 20.062 ( -0.267 7.499 -0.836) 7.551 20.108 ( 2.212 1.747 -2.244) 3.603 20.427 ( -1.019 0.524 -0.611) 1.298 20.455 ( 2.277 -4.551 -0.824) 5.155 22.611 ( -2.965 -5.533 3.634) 7.254 22.694 ( -2.470 3.502 2.196) 4.816 22.886 ( 2.732 -8.586 -2.547) 9.364 22.921 ( 0.471 7.763 -2.407) 8.142 27.994 ( 0.347 12.520 3.029) 12.886 28.132 ( 6.026 -17.720 1.271) 18.760 28.244 ( -5.034 -12.717 3.227) 14.053 28.495 ( -1.712 18.522 -13.491) 22.978 30.939 ( 0.958 1.058 6.546) 6.700 30.998 ( -2.827 -3.484 2.528) 5.150 31.129 ( 3.660 -10.623 0.781) 11.263 31.217 ( 0.704 8.839 -0.845) 8.908 31.333 ( 0.743 4.313 0.839) 4.456 31.454 ( 5.942 -2.793 -1.620) 6.762 31.532 ( -4.292 -2.371 6.184) 7.892 32.098 ( 5.493 5.002 -19.829) 21.175 33.016 ( -2.693 6.383 2.751) 7.454 33.129 ( 3.480 1.189 -2.946) 4.712 33.326 ( -3.721 2.237 0.757) 4.407 33.397 ( 3.970 -7.593 -1.614) 8.719 35.439 ( -1.168 0.104 2.998) 3.220 35.520 ( 0.718 0.228 -0.608) 0.968 35.740 ( -5.187 -0.274 4.542) 6.900 35.848 ( 0.530 1.480 -1.268) 2.020 36.210 ( -4.678 2.077 7.970) 9.473 36.421 ( -4.630 -1.956 5.303) 7.307 37.277 ( 5.952 -12.339 1.288) 13.760 37.566 ( 0.334 8.517 -9.994) 13.135======================= Grid point 156 (78/114) =======================q-point: (-0.12 0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.938 ( 3.530 17.123 5.538) 18.339 1.945 ( -0.372 13.926 8.805) 16.481 2.173 ( 9.100 10.095 -4.152) 14.211 2.248 ( 1.222 5.498 -5.615) 7.952 2.624 ( 2.353 5.103 9.988) 11.460 2.835 ( -5.440 -1.469 -5.035) 7.556 3.028 ( 5.721 2.218 2.529) 6.636 3.177 ( -4.422 -3.472 -7.240) 9.167 3.349 ( 1.846 0.283 3.641) 4.092 3.506 ( 5.805 -1.146 -0.986) 5.998 3.529 ( -2.030 -4.928 6.376) 8.310 3.612 ( 1.359 1.531 1.318) 2.435 3.640 ( 1.201 -2.414 -2.637) 3.772 3.809 ( -1.674 -1.545 -10.492) 10.737 4.119 ( 9.676 -0.243 3.420) 10.266 4.193 ( -7.455 -0.742 -3.561) 8.295 4.382 ( -0.328 -4.171 9.738) 10.599 4.524 ( -3.469 -2.260 -3.036) 5.134 4.706 ( -3.102 -3.032 1.355) 4.544 4.953 ( -2.268 1.587 -3.916) 4.796 4.961 ( 6.659 4.804 0.478) 8.225 5.085 ( -5.494 -2.104 -7.866) 9.823 5.420 ( -7.658 -2.186 -1.510) 8.106 5.487 ( 3.850 -5.259 1.622) 6.717 5.645 ( -1.466 -3.079 5.093) 6.129 5.811 ( -2.195 3.932 5.143) 6.836 5.885 ( 3.310 -1.864 -6.287) 7.346 5.940 ( 5.994 2.400 1.836) 6.712 6.181 ( -2.259 -3.311 2.849) 4.918 6.237 ( -3.930 -1.772 -1.994) 4.750 7.817 ( 2.090 0.012 2.271) 3.086 7.862 ( 3.316 0.849 0.464) 3.454 8.080 ( -3.486 2.038 1.557) 4.328 8.213 ( 0.036 2.029 -4.637) 5.061 8.820 ( 0.266 0.152 1.650) 1.678 8.911 ( -0.820 -0.707 -4.054) 4.196 9.042 ( 0.887 -2.064 1.872) 2.924 9.113 ( 0.286 -1.299 -2.765) 3.068 9.395 ( -1.691 -6.304 -1.658) 6.734 9.412 ( 0.374 -4.866 0.460) 4.902 9.674 ( 4.639 1.521 5.817) 7.594 9.734 ( -1.442 -0.917 -1.844) 2.514 10.111 ( 4.681 1.122 5.125) 7.032 10.183 ( -4.631 -2.768 -4.584) 7.080 10.227 ( -2.190 -1.516 6.526) 7.048 10.473 ( 2.257 -2.875 -4.690) 5.946 11.178 ( -2.255 -0.731 4.115) 4.749 11.256 ( -2.223 3.862 -0.238) 4.462 11.357 ( -0.759 2.834 1.620) 3.352 11.499 ( 2.785 0.206 -3.945) 4.834 11.808 ( 1.859 -3.693 4.232) 5.917 11.887 ( 2.562 0.584 -0.399) 2.657 12.274 ( -0.814 -0.743 -0.182) 1.117 12.320 ( -0.028 0.815 -2.062) 2.217 12.392 ( 0.131 0.579 1.658) 1.761 12.508 ( 0.278 0.302 -3.013) 3.041 12.703 ( 0.136 -6.343 2.277) 6.741 12.820 ( -1.425 -6.341 -3.258) 7.270 13.428 ( -5.794 3.674 0.036) 6.860 13.558 ( 4.497 2.677 -2.554) 5.823 13.901 ( 0.892 -1.586 6.073) 6.340 14.004 ( -2.481 5.465 -0.480) 6.020 14.271 ( 4.981 -6.283 6.004) 10.017 14.465 ( -1.003 1.859 -7.470) 7.763 15.239 ( 0.739 5.728 4.376) 7.246 15.311 ( -5.095 6.112 -3.368) 8.641 15.467 ( 4.905 -1.854 4.665) 7.018 15.592 ( -3.776 -7.639 -5.481) 10.131 15.929 ( -8.561 11.263 0.404) 14.153 16.078 ( 10.420 6.186 2.377) 12.348 16.444 ( 2.230 -2.867 6.090) 7.091 16.683 ( -5.721 -2.998 -11.795) 13.448 17.040 ( -3.144 3.644 -0.769) 4.874 17.130 ( 5.724 1.856 -2.805) 6.639 17.371 ( -4.720 1.509 1.685) 5.234 17.428 ( 2.786 1.460 2.181) 3.827 19.870 ( 0.002 9.775 -0.045) 9.776 19.999 ( 4.646 10.124 -6.499) 12.896 20.500 ( -3.030 -10.015 3.640) 11.078 20.643 ( 2.674 -11.193 -2.365) 11.748 22.489 ( -3.421 11.650 4.420) 12.921 22.634 ( 1.778 9.580 -2.580) 10.079 22.892 ( -3.813 -7.047 3.471) 8.732 23.077 ( 3.248 -10.024 -3.728) 11.177 27.659 ( 1.505 22.599 5.593) 23.330 27.916 ( -6.424 22.448 -14.027) 27.239 28.568 ( -6.596 -22.850 -0.584) 23.790 28.666 ( 12.411 -20.732 2.717) 24.316 30.867 ( -1.129 7.098 3.519) 8.003 30.954 ( -2.147 6.837 -1.012) 7.237 31.126 ( -3.010 4.763 5.047) 7.565 31.272 ( -2.909 2.607 -1.255) 4.103 31.327 ( -1.029 -2.899 0.180) 3.081 31.463 ( 3.287 -6.882 -0.441) 7.639 31.629 ( -0.331 -3.148 -0.421) 3.193 32.036 ( 19.271 0.650 -11.860) 22.637 32.898 ( 0.885 7.574 3.308) 8.312 33.026 ( 2.517 9.451 -3.127) 10.268 33.329 ( -4.705 -3.475 4.070) 7.126 33.548 ( 3.006 -7.603 -4.533) 9.349 35.435 ( -1.915 0.979 2.878) 3.593 35.507 ( 1.026 1.269 -0.643) 1.754 35.719 ( -4.625 1.339 5.463) 7.282 35.827 ( 1.182 0.904 -0.563) 1.591 36.166 ( -4.009 2.766 4.642) 6.729 36.406 ( -1.597 3.533 -0.690) 3.938 37.308 ( -16.497 -2.395 2.161) 16.810 37.722 ( 15.358 -15.741 -3.570) 22.280======================= Grid point 160 (79/114) =======================q-point: ( 0.38 0.38 -0.67)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.632 ( 10.050 -0.000 -17.730) 20.380 2.012 ( -14.327 0.000 -14.880) 20.657 2.054 ( -12.609 0.000 -4.885) 13.522 2.253 ( 7.604 -0.000 -27.263) 28.303 2.705 ( -0.136 0.000 4.202) 4.204 2.855 ( 15.431 -0.000 -7.662) 17.228 2.897 ( 4.715 -0.000 12.016) 12.908 2.917 ( -3.516 0.000 -2.903) 4.559 3.113 ( 11.495 -0.000 2.129) 11.690 3.340 ( 10.172 -0.000 -2.172) 10.401 3.429 ( 1.939 -0.000 6.205) 6.501 3.503 ( 5.720 -0.000 4.229) 7.113 3.773 ( 1.303 -0.000 2.745) 3.039 3.863 ( -8.333 0.000 1.715) 8.507 4.048 ( -1.869 0.000 -7.417) 7.649 4.145 ( -2.186 0.000 16.551) 16.695 4.320 ( -7.032 0.000 5.298) 8.805 4.536 ( -0.131 0.000 2.425) 2.429 4.720 ( -3.268 0.000 -1.146) 3.463 4.791 ( -2.599 0.000 -4.296) 5.021 5.009 ( -0.191 0.000 -3.349) 3.355 5.269 ( -10.030 0.000 4.549) 11.013 5.353 ( -4.433 0.000 1.621) 4.720 5.446 ( 8.061 -0.000 8.203) 11.501 5.614 ( -1.139 0.000 -8.892) 8.965 5.648 ( -3.033 0.000 -7.297) 7.902 5.902 ( -4.771 0.000 -3.041) 5.657 6.036 ( -1.983 0.000 -4.036) 4.497 6.383 ( 0.036 -0.000 0.019) 0.041 6.404 ( 1.953 -0.000 1.481) 2.451 7.917 ( 2.166 -0.000 -0.815) 2.314 7.996 ( -4.484 0.000 -1.585) 4.756 8.163 ( 4.650 -0.000 3.008) 5.538 8.303 ( 1.934 -0.000 1.177) 2.264 8.816 ( 0.097 -0.000 3.159) 3.161 8.913 ( -4.392 0.000 1.504) 4.643 9.143 ( -4.428 0.000 0.652) 4.475 9.286 ( 2.157 -0.000 -5.052) 5.493 9.390 ( -0.769 0.000 0.525) 0.931 9.426 ( 2.623 -0.000 -6.868) 7.352 9.694 ( -3.571 0.000 -2.488) 4.352 9.752 ( 2.572 -0.000 -4.631) 5.297 10.173 ( 1.020 -0.000 4.292) 4.411 10.310 ( 9.382 -0.000 2.485) 9.706 10.543 ( -10.951 0.000 2.176) 11.165 10.809 ( 2.027 -0.000 -4.254) 4.712 11.052 ( 2.492 -0.000 -1.155) 2.747 11.110 ( -6.981 0.000 5.378) 8.812 11.472 ( -0.937 0.000 -3.393) 3.520 11.600 ( -1.842 0.000 -5.058) 5.383 11.919 ( -5.950 0.000 -6.867) 9.086 12.055 ( 9.063 -0.000 8.810) 12.640 12.213 ( 6.634 -0.000 2.393) 7.053 12.259 ( -1.419 0.000 -2.941) 3.266 12.445 ( -2.878 0.000 -13.003) 13.318 12.572 ( 2.839 -0.000 7.075) 7.623 12.905 ( 1.603 -0.000 3.971) 4.282 12.913 ( 4.763 -0.000 3.101) 5.684 13.360 ( -1.321 0.000 -1.413) 1.934 13.536 ( -1.192 0.000 -0.878) 1.481 13.594 ( -2.563 0.000 2.385) 3.501 13.759 ( -1.463 0.000 -1.328) 1.976 14.182 ( 4.074 -0.000 1.906) 4.498 14.605 ( 1.871 -0.000 0.187) 1.881 14.612 ( 0.678 -0.000 -0.076) 0.683 14.991 ( 1.487 -0.000 0.041) 1.488 15.036 ( -5.644 0.000 2.167) 6.046 15.250 ( 1.135 -0.000 -3.600) 3.774 15.830 ( 10.416 -0.000 0.449) 10.426 16.312 ( 1.919 -0.000 -0.876) 2.109 16.447 ( -5.669 0.000 -0.858) 5.734 16.513 ( -4.756 0.000 -1.887) 5.117 16.916 ( 0.553 -0.000 0.340) 0.649 17.004 ( -0.668 0.000 -0.700) 0.968 17.081 ( 0.189 -0.000 1.175) 1.190 17.483 ( -2.120 0.000 -1.781) 2.768 19.759 ( 5.910 -0.000 0.831) 5.969 20.017 ( 1.834 -0.000 2.240) 2.895 21.059 ( -1.222 0.000 1.719) 2.109 21.066 ( 1.789 -0.000 -0.422) 1.838 21.811 ( -5.262 0.000 3.722) 6.445 22.156 ( 1.352 -0.000 -4.581) 4.776 23.244 ( -2.640 0.000 2.336) 3.525 23.398 ( 1.573 -0.000 -3.366) 3.715 26.904 ( -0.109 0.000 0.210) 0.237 26.904 ( 0.134 -0.000 0.046) 0.142 29.475 ( 3.775 -0.000 2.523) 4.541 29.627 ( 0.182 -0.000 -4.023) 4.027 30.050 ( 1.356 -0.000 1.261) 1.851 30.602 ( 0.270 -0.000 1.990) 2.008 30.634 ( -1.963 0.000 3.229) 3.779 31.107 ( 4.572 -0.000 0.388) 4.588 31.270 ( -0.363 0.000 3.257) 3.277 31.799 ( -1.732 0.000 -4.383) 4.713 32.101 ( 1.244 -0.000 -1.310) 1.807 32.225 ( 3.313 -0.000 -6.056) 6.903 32.528 ( 1.128 -0.000 -4.410) 4.552 33.160 ( 24.461 -0.000 -34.204) 42.051 33.432 ( -5.384 0.000 6.946) 8.788 33.656 ( 4.130 -0.000 -8.977) 9.882 35.339 ( -1.591 0.000 2.728) 3.158 35.506 ( 1.754 -0.000 -2.279) 2.876 35.664 ( -4.886 0.000 3.664) 6.108 35.747 ( 2.362 -0.000 -4.789) 5.340 36.091 ( 2.925 -0.000 2.974) 4.171 36.258 ( -1.037 0.000 8.988) 9.047 36.936 ( -20.580 0.000 28.197) 34.909 38.740 ( -3.772 0.000 -6.443) 7.466======================= Grid point 161 (80/114) =======================q-point: (-0.50 -0.62 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.696 ( 4.451 -7.923 -9.533) 13.170 1.856 ( -7.805 -5.891 -9.720) 13.788 2.036 ( -13.787 -11.999 -7.869) 19.899 2.264 ( 5.531 -12.897 -23.522) 27.390 2.637 ( -0.485 2.684 5.255) 5.921 2.805 ( 12.808 8.668 -7.159) 17.042 2.884 ( -4.107 -0.102 -7.876) 8.883 3.012 ( 0.402 0.210 -3.763) 3.791 3.251 ( 8.332 1.701 8.332) 11.905 3.391 ( 5.834 0.471 -3.658) 6.902 3.489 ( 7.482 -1.997 4.936) 9.184 3.588 ( 1.063 0.350 4.513) 4.650 3.707 ( -2.213 1.856 -2.371) 3.737 3.918 ( 0.338 -5.285 5.420) 7.578 4.009 ( 0.611 1.334 1.411) 2.035 4.233 ( -6.708 -1.394 7.348) 10.046 4.358 ( -0.458 -0.889 15.657) 15.688 4.525 ( 1.742 2.671 3.055) 4.416 4.681 ( -1.883 0.878 -0.276) 2.096 4.766 ( -1.585 -1.171 -1.373) 2.402 4.966 ( -1.441 0.768 -2.784) 3.228 5.214 ( -7.401 -2.546 -2.739) 8.292 5.303 ( -3.886 1.685 -2.071) 4.715 5.531 ( -1.508 -2.426 -6.340) 6.954 5.593 ( -1.863 0.294 -2.362) 3.023 5.637 ( 5.720 -2.443 4.009) 7.400 5.857 ( -2.016 -0.825 -3.160) 3.838 6.008 ( -1.055 -0.935 -4.250) 4.477 6.289 ( -0.088 8.112 0.795) 8.152 6.399 ( 0.033 3.563 1.203) 3.760 7.896 ( -2.922 1.089 -0.940) 3.257 7.907 ( -3.180 2.806 -1.652) 4.551 8.174 ( 5.506 4.374 2.753) 7.552 8.364 ( 0.785 -2.543 0.910) 2.813 8.828 ( 0.471 0.292 3.721) 3.762 8.968 ( 0.611 -4.657 2.388) 5.269 9.085 ( -3.058 2.185 1.157) 3.933 9.268 ( 2.642 0.419 -6.121) 6.680 9.368 ( -3.124 1.195 -1.997) 3.895 9.387 ( -0.058 0.788 -7.306) 7.348 9.650 ( -0.879 0.558 -0.450) 1.134 9.770 ( 1.438 -2.436 -4.277) 5.128 10.147 ( -1.687 5.539 3.603) 6.820 10.293 ( 2.997 10.016 -1.625) 10.580 10.447 ( -5.756 0.507 3.422) 6.715 10.735 ( 0.456 6.005 -5.768) 8.339 11.104 ( -4.471 -2.568 4.810) 7.051 11.148 ( 1.782 -6.548 0.972) 6.856 11.460 ( -1.189 -2.089 -3.093) 3.917 11.569 ( -1.827 -0.985 -4.750) 5.183 11.822 ( -3.701 2.618 -5.463) 7.099 12.061 ( 9.723 12.197 -5.544) 16.554 12.177 ( -4.965 -0.756 3.976) 6.406 12.306 ( 3.949 1.984 -2.333) 4.997 12.386 ( 2.203 -1.540 2.292) 3.533 12.623 ( 0.471 1.798 3.163) 3.669 12.837 ( 2.949 8.443 2.847) 9.385 12.925 ( 1.786 1.113 2.201) 3.045 13.340 ( 0.675 -1.436 1.731) 2.348 13.552 ( -6.041 -1.839 -0.336) 6.323 13.649 ( -1.488 -4.997 -1.077) 5.324 13.743 ( -3.781 -2.894 -5.813) 7.514 14.282 ( 15.448 2.519 10.824) 19.030 14.647 ( 0.840 -3.359 -2.360) 4.191 14.838 ( 1.374 -17.810 4.184) 18.347 15.033 ( -2.008 -4.372 1.459) 5.027 15.100 ( -1.777 -7.975 0.496) 8.185 15.269 ( 1.903 -5.135 -0.522) 5.501 15.969 ( 7.182 -6.729 -0.970) 9.890 16.237 ( -4.457 5.686 -3.906) 8.213 16.373 ( -1.652 2.463 1.047) 3.145 16.464 ( -2.002 2.027 -0.263) 2.861 16.930 ( 2.592 -1.266 0.493) 2.926 17.038 ( -0.867 -3.926 -0.932) 4.128 17.165 ( 1.004 -6.406 2.030) 6.794 17.450 ( -3.417 -0.654 -3.197) 4.725 19.846 ( 5.418 -4.040 1.151) 6.856 20.002 ( -0.652 2.082 0.573) 2.256 20.931 ( -2.133 11.208 2.419) 11.663 21.010 ( 2.184 8.381 -1.980) 8.884 21.904 ( -4.849 -11.021 4.570) 12.879 22.227 ( 1.552 -9.047 -5.496) 10.698 23.175 ( -3.442 6.324 2.933) 7.774 23.354 ( 1.341 3.799 -4.013) 5.686 27.027 ( 1.902 -12.954 0.163) 13.094 27.044 ( -2.174 -14.806 1.512) 15.041 29.276 ( 2.950 19.924 3.331) 20.415 29.523 ( -1.082 10.308 -6.344) 12.152 30.307 ( 7.168 -16.602 8.941) 20.173 30.655 ( 0.980 -3.558 2.630) 4.532 30.662 ( -1.117 -2.807 3.146) 4.362 31.177 ( 4.611 -2.946 1.219) 5.606 31.321 ( -1.409 -4.087 3.220) 5.391 31.703 ( -1.765 5.290 -5.031) 7.510 31.947 ( 0.429 12.593 -2.524) 12.851 32.245 ( 1.948 -2.437 -12.008) 12.407 32.647 ( 1.249 -11.857 -2.520) 12.186 33.110 ( 15.420 0.717 -32.039) 35.564 33.406 ( -3.917 2.790 5.978) 7.672 33.618 ( 4.207 2.877 -6.909) 8.585 35.363 ( -1.048 -1.833 3.028) 3.691 35.492 ( 1.103 0.900 -1.757) 2.261 35.658 ( -5.321 -1.631 3.191) 6.416 35.794 ( 3.229 -4.525 -4.434) 7.111 36.151 ( 3.027 -1.490 4.439) 5.576 36.287 ( -2.869 -1.154 4.398) 5.377 36.962 ( -11.521 2.939 33.759) 35.792 38.527 ( -5.700 12.571 -12.893) 18.888======================= Grid point 162 (81/114) =======================q-point: (-0.38 -0.62 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.918 ( 5.030 -15.229 -0.283) 16.040 1.974 ( -4.708 -15.182 -4.816) 16.608 2.146 ( -11.915 -13.783 4.207) 18.699 2.479 ( -2.750 -11.361 -9.278) 14.924 2.686 ( -0.694 -8.170 -8.318) 11.680 2.718 ( 14.736 6.424 -6.725) 17.425 2.805 ( 1.355 -1.262 -3.393) 3.866 2.976 ( -4.370 -2.623 -3.879) 6.405 3.201 ( 1.770 6.989 -0.590) 7.234 3.359 ( 0.524 1.880 -5.603) 5.933 3.528 ( -2.283 3.065 -2.024) 4.325 3.580 ( 6.405 2.621 -2.298) 7.292 3.728 ( 4.929 0.757 0.825) 5.055 3.947 ( -6.731 -0.452 -2.949) 7.362 4.030 ( 3.776 6.756 13.349) 15.430 4.194 ( -8.355 -1.033 1.005) 8.479 4.435 ( 3.211 2.330 10.520) 11.244 4.540 ( 8.466 2.612 8.937) 12.584 4.638 ( -5.250 1.801 -0.978) 5.636 4.797 ( -0.555 -3.693 0.198) 3.740 4.980 ( 0.404 -0.957 1.296) 1.661 5.164 ( -3.714 2.002 -9.496) 10.391 5.283 ( 0.978 -4.797 1.367) 5.083 5.529 ( -2.215 -2.847 -3.655) 5.135 5.579 ( -4.484 -2.899 -1.929) 5.677 5.733 ( 4.443 -1.673 -0.538) 4.778 5.880 ( 0.672 -3.286 -1.110) 3.533 6.014 ( -0.141 -2.738 -2.444) 3.673 6.150 ( 0.619 8.268 4.840) 9.601 6.308 ( -1.666 6.540 1.525) 6.919 7.844 ( 1.626 1.702 0.274) 2.370 7.875 ( -2.771 -0.196 0.327) 2.797 8.168 ( 7.451 3.591 4.379) 9.359 8.356 ( -6.597 0.579 -2.759) 7.174 8.861 ( 0.027 -1.681 3.516) 3.898 9.025 ( 3.478 2.869 3.452) 5.679 9.076 ( -1.785 -1.730 0.023) 2.486 9.236 ( 0.155 1.124 -6.077) 6.182 9.282 ( -3.386 3.102 -1.834) 4.945 9.336 ( -0.555 0.015 -6.886) 6.908 9.682 ( 1.781 -3.326 0.805) 3.857 9.805 ( 3.292 -2.182 -2.314) 4.578 9.984 ( -3.997 10.861 1.649) 11.690 10.109 ( -2.395 7.154 -1.663) 7.725 10.424 ( -1.251 3.403 3.001) 4.707 10.587 ( 0.774 5.785 -5.082) 7.739 11.160 ( -3.189 -3.200 5.862) 7.401 11.302 ( 2.911 -6.530 2.715) 7.648 11.485 ( 0.537 -1.386 -2.071) 2.549 11.559 ( -3.773 -2.578 -1.561) 4.829 11.705 ( -3.178 3.493 -4.957) 6.846 11.816 ( 2.116 10.896 -11.752) 16.165 12.215 ( -3.824 -3.290 3.350) 6.056 12.286 ( 4.713 2.785 -0.199) 5.478 12.434 ( 1.212 -0.436 2.717) 3.007 12.564 ( -0.823 2.825 -1.097) 3.140 12.760 ( 3.749 6.504 4.743) 8.880 12.903 ( 0.096 3.971 -0.722) 4.037 13.445 ( 4.349 -4.937 4.057) 7.730 13.557 ( -4.332 -2.687 2.722) 5.779 13.690 ( -2.609 -3.664 -3.176) 5.506 13.715 ( -2.180 -1.500 -6.107) 6.656 14.440 ( 13.620 -1.188 7.871) 15.776 14.636 ( -3.810 2.453 -4.056) 6.082 15.018 ( 0.637 -3.530 3.940) 5.328 15.202 ( -2.636 -7.549 1.307) 8.102 15.279 ( 0.295 -12.579 2.679) 12.865 15.455 ( 3.363 -10.147 1.156) 10.752 16.044 ( -7.325 3.447 -1.693) 8.270 16.137 ( 5.274 -4.269 -4.627) 8.213 16.380 ( -5.087 -3.806 1.614) 6.555 16.432 ( 6.488 2.262 1.525) 7.038 17.006 ( 4.169 -3.041 1.231) 5.305 17.081 ( -2.249 -2.670 -1.472) 3.789 17.306 ( 1.251 -6.205 2.092) 6.666 17.434 ( -2.389 -1.877 -2.301) 3.812 19.979 ( -1.044 -1.356 0.361) 1.750 19.984 ( 4.003 -6.400 -0.525) 7.567 20.697 ( -2.754 13.883 2.569) 14.385 20.819 ( 2.418 12.542 -3.244) 13.178 22.132 ( -4.537 -14.755 4.755) 16.152 22.407 ( 2.563 -12.531 -5.778) 14.034 23.031 ( -3.857 8.281 4.597) 10.227 23.244 ( 1.727 7.108 -4.307) 8.489 27.356 ( -4.853 -21.222 1.993) 21.860 27.374 ( 6.256 -21.024 1.218) 21.969 28.933 ( 2.610 23.127 4.429) 23.691 29.205 ( -2.603 18.475 -8.570) 20.531 30.699 ( 6.829 -12.471 7.653) 16.148 30.736 ( -2.004 -6.753 2.325) 7.417 30.799 ( 2.890 -8.069 7.098) 11.128 31.287 ( 6.358 -3.826 1.692) 7.610 31.402 ( -5.186 -5.009 3.059) 7.832 31.551 ( -2.036 7.100 -3.990) 8.395 31.699 ( 0.768 13.580 -2.315) 13.797 32.179 ( 2.116 -0.045 -23.613) 23.708 32.867 ( 0.034 -12.497 -1.291) 12.564 33.055 ( 4.182 -2.169 -16.010) 16.689 33.352 ( -1.241 4.001 4.469) 6.125 33.540 ( 3.807 5.480 -5.078) 8.385 35.408 ( -0.966 -1.887 2.663) 3.404 35.489 ( 0.603 -0.786 -0.944) 1.369 35.676 ( -5.674 -2.630 3.900) 7.370 35.861 ( 2.910 -2.082 -3.279) 4.853 36.213 ( -1.197 -0.866 6.484) 6.650 36.334 ( -1.111 -3.878 1.933) 4.474 37.035 ( -2.488 2.052 28.455) 28.638 38.126 ( -3.433 17.497 -17.353) 24.881======================= Grid point 163 (82/114) =======================q-point: (-0.25 -0.62 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.120 ( -10.534 -10.228 -2.100) 14.833 2.201 ( 7.736 -6.806 0.717) 10.329 2.355 ( -3.516 0.348 6.725) 7.597 2.474 ( -15.312 -8.323 -1.781) 17.518 2.631 ( 8.444 0.789 2.368) 8.806 2.865 ( 5.298 -5.759 -3.494) 8.570 2.958 ( -7.504 -5.991 -3.903) 10.365 2.968 ( 13.993 4.060 2.856) 14.847 3.157 ( -3.875 -10.819 -7.567) 13.759 3.353 ( 2.975 -8.021 -13.061) 15.614 3.471 ( -0.783 -1.860 -5.507) 5.866 3.524 ( 1.223 3.089 -5.935) 6.801 3.615 ( -3.088 10.484 5.161) 12.086 3.848 ( 3.206 8.653 2.692) 9.612 4.038 ( -5.602 -3.067 2.206) 6.757 4.194 ( 5.553 1.204 3.447) 6.646 4.444 ( 5.164 3.457 4.381) 7.603 4.531 ( -6.578 3.380 -0.515) 7.413 4.645 ( 4.105 -0.421 7.966) 8.972 4.839 ( -8.309 -3.547 -3.780) 9.794 4.982 ( 4.914 -0.117 -0.842) 4.987 5.059 ( 1.103 1.951 -8.488) 8.779 5.423 ( 5.558 -0.871 7.306) 9.221 5.546 ( -1.981 -2.591 1.320) 3.518 5.581 ( -5.445 -1.868 -2.234) 6.174 5.756 ( 0.711 -1.317 -5.781) 5.972 5.955 ( 1.351 -3.324 3.261) 4.848 6.034 ( -1.304 0.324 -1.875) 2.307 6.112 ( 0.714 1.056 4.875) 5.039 6.186 ( 0.071 4.930 1.974) 5.311 7.852 ( 1.556 0.869 1.416) 2.276 7.875 ( 2.165 -0.353 0.954) 2.393 8.182 ( 0.557 3.763 2.932) 4.803 8.249 ( -5.146 0.820 -3.642) 6.357 8.925 ( 1.111 -1.385 4.412) 4.756 8.983 ( 2.054 5.877 1.014) 6.307 9.034 ( -2.611 2.654 -1.257) 3.929 9.159 ( -1.872 2.347 -6.179) 6.870 9.253 ( -0.052 -1.989 0.289) 2.011 9.310 ( 1.466 -0.545 -4.295) 4.571 9.713 ( -3.065 1.385 -0.066) 3.364 9.807 ( 1.600 6.469 2.497) 7.116 9.927 ( 7.121 -6.647 2.220) 9.991 10.014 ( -4.728 -1.463 -3.603) 6.121 10.345 ( -1.114 5.144 3.973) 6.595 10.499 ( -0.192 2.646 -4.762) 5.451 11.206 ( -2.435 0.165 6.724) 7.153 11.392 ( -1.548 0.450 0.612) 1.724 11.470 ( -0.955 2.732 1.448) 3.236 11.531 ( -3.130 1.963 -3.147) 4.853 11.638 ( 0.770 -1.307 -1.016) 1.826 11.725 ( 2.351 -6.275 -7.941) 10.390 12.261 ( -1.997 -3.490 -1.340) 4.238 12.278 ( 3.911 1.381 0.230) 4.154 12.475 ( -0.485 -2.512 2.947) 3.903 12.543 ( -1.541 -1.778 -1.649) 2.873 12.689 ( 3.648 7.641 3.664) 9.226 12.766 ( -0.618 8.545 -2.311) 8.873 13.555 ( -3.388 1.266 0.754) 3.695 13.591 ( 4.179 -2.717 4.472) 6.697 13.694 ( -3.393 -6.108 -3.610) 7.865 13.798 ( 3.502 -7.118 -2.325) 8.267 14.470 ( -8.343 7.662 -0.730) 11.351 14.573 ( 8.079 0.646 2.081) 8.367 15.160 ( 3.077 -7.280 5.364) 9.552 15.272 ( -3.578 -6.272 -3.779) 8.150 15.427 ( 1.526 -1.067 3.992) 4.404 15.549 ( -0.274 2.655 -2.774) 3.850 16.017 ( -3.176 -6.579 4.945) 8.822 16.205 ( 1.778 0.645 -2.518) 3.149 16.381 ( -8.220 -4.945 -3.051) 10.066 16.515 ( 12.278 0.014 0.560) 12.291 17.082 ( -1.808 -2.116 -0.659) 2.860 17.101 ( 3.499 -1.581 0.037) 3.840 17.391 ( -2.348 -2.106 0.991) 3.306 17.450 ( 0.990 -1.093 0.298) 1.505 20.035 ( -0.834 -5.390 1.117) 5.568 20.114 ( 2.016 -4.283 -3.398) 5.827 20.470 ( -1.264 9.248 2.663) 9.706 20.588 ( 1.908 12.562 -3.687) 13.230 22.386 ( -4.293 -14.258 4.559) 15.573 22.626 ( 3.405 -12.293 -5.372) 13.841 22.888 ( -3.151 7.920 5.695) 10.252 23.089 ( 2.384 9.229 -3.831) 10.273 27.712 ( -6.226 -22.608 0.882) 23.466 27.838 ( 10.750 -21.440 1.984) 24.066 28.558 ( 2.149 23.938 5.464) 24.648 28.764 ( -4.036 21.389 -10.201) 24.038 30.851 ( -1.602 -7.687 2.489) 8.237 30.943 ( 2.838 -9.175 -0.542) 9.619 31.028 ( 1.893 -5.235 12.081) 13.302 31.364 ( -1.441 6.916 0.636) 7.093 31.425 ( -2.304 2.186 -2.597) 4.103 31.443 ( 4.613 -5.274 -4.708) 8.442 31.492 ( -2.305 6.384 5.063) 8.468 32.058 ( 4.672 0.036 -23.231) 23.696 33.009 ( -5.168 -4.696 -1.399) 7.121 33.101 ( 3.502 -5.867 -2.938) 7.437 33.314 ( -0.537 1.293 2.260) 2.659 33.433 ( 3.445 6.342 -3.208) 7.898 35.438 ( -1.555 -0.923 2.580) 3.150 35.510 ( 0.585 -1.224 -0.976) 1.671 35.700 ( -5.595 -2.087 4.373) 7.402 35.875 ( 2.587 0.807 -1.793) 3.250 36.247 ( -4.079 -0.518 8.043) 9.033 36.388 ( -3.465 -1.182 5.702) 6.776 37.189 ( 5.318 -5.079 13.133) 15.051 37.711 ( -1.025 15.296 -16.712) 22.679======================= Grid point 164 (83/114) =======================q-point: (-0.12 -0.62 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.132 ( -8.331 5.568 -4.505) 10.987 2.161 ( -2.632 1.321 2.280) 3.724 2.343 ( 1.242 8.309 -1.760) 8.584 2.406 ( 2.907 4.638 -2.710) 6.108 2.653 ( -3.035 -1.483 1.736) 3.798 2.811 ( -1.264 7.255 -3.704) 8.243 3.015 ( -0.856 -4.983 -0.462) 5.077 3.151 ( 10.245 -2.679 5.330) 11.855 3.297 ( -3.904 -8.286 5.126) 10.497 3.423 ( -0.994 -2.917 -2.645) 4.061 3.488 ( -3.851 -4.344 -3.644) 6.854 3.538 ( 7.406 -3.264 -0.891) 8.142 3.630 ( 7.864 -7.464 -4.622) 11.786 3.771 ( 4.270 2.726 -2.173) 5.512 4.018 ( -11.433 -4.146 -2.858) 12.492 4.271 ( 12.669 3.000 6.429) 14.520 4.442 ( -2.985 -0.463 -2.381) 3.846 4.467 ( 4.153 1.198 4.163) 6.001 4.637 ( -9.656 1.072 2.220) 9.966 4.853 ( -3.877 -5.982 -2.380) 7.516 4.968 ( -0.670 0.791 -8.557) 8.620 5.072 ( 5.985 -0.707 2.022) 6.357 5.409 ( -4.099 5.252 0.515) 6.682 5.488 ( -3.247 2.025 -0.419) 3.850 5.652 ( 1.814 -1.250 7.628) 7.940 5.751 ( -1.863 -2.401 -5.287) 6.098 5.977 ( 3.870 4.911 1.746) 6.492 6.033 ( 3.078 1.486 -1.021) 3.567 6.087 ( -5.313 -4.507 3.232) 7.681 6.211 ( 2.678 -0.262 1.919) 3.305 7.827 ( -1.820 1.372 -2.083) 3.088 7.914 ( 3.970 0.240 0.281) 3.987 8.080 ( -6.997 1.166 0.334) 7.101 8.239 ( 3.738 2.459 1.146) 4.618 8.885 ( -2.417 3.485 -2.731) 5.044 8.899 ( 0.461 3.118 -0.410) 3.179 9.039 ( 1.774 -0.671 4.454) 4.841 9.099 ( 1.208 0.667 -2.695) 3.028 9.295 ( 0.160 -2.727 -0.800) 2.846 9.349 ( 2.599 -3.390 -0.884) 4.363 9.679 ( -2.330 -1.724 1.353) 3.199 9.786 ( 4.694 3.234 4.883) 7.506 10.018 ( -5.359 -5.874 -6.169) 10.064 10.114 ( 4.507 -6.017 1.619) 7.690 10.289 ( -1.831 3.630 5.694) 6.996 10.423 ( -1.038 0.493 -6.038) 6.146 11.195 ( -3.162 1.659 5.538) 6.589 11.326 ( -0.534 4.343 0.039) 4.376 11.411 ( -1.026 2.384 2.768) 3.794 11.487 ( 0.990 -0.630 -3.922) 4.094 11.726 ( -2.439 -5.294 -0.610) 5.861 11.855 ( 5.359 -7.147 -1.503) 9.058 12.269 ( 1.371 -0.084 -0.269) 1.400 12.307 ( 1.370 -0.187 -1.003) 1.708 12.468 ( -3.881 5.249 -1.790) 6.769 12.575 ( 3.212 7.041 -0.329) 7.746 12.591 ( -1.170 -6.246 3.252) 7.138 12.706 ( 0.904 -3.039 -0.615) 3.230 13.470 ( -3.603 4.588 0.895) 5.902 13.639 ( 5.603 1.765 0.038) 5.874 13.821 ( -2.239 -8.126 2.391) 8.761 13.932 ( -1.063 -6.248 -5.665) 8.500 14.277 ( -8.448 3.384 0.875) 9.143 14.560 ( 6.354 6.789 -0.919) 9.343 15.305 ( -1.703 -3.304 3.950) 5.424 15.363 ( -5.473 -0.243 -3.545) 6.525 15.389 ( 0.966 -1.171 -0.227) 1.535 15.506 ( 6.897 -0.714 3.790) 7.902 16.051 ( -6.432 8.859 -1.197) 11.013 16.188 ( 2.950 -3.260 5.035) 6.684 16.428 ( -5.518 -7.264 -5.521) 10.662 16.574 ( 9.124 2.887 -0.305) 9.575 17.058 ( -2.558 1.393 -1.787) 3.418 17.169 ( 5.093 -1.193 0.057) 5.232 17.365 ( -5.085 1.323 0.349) 5.265 17.475 ( 1.857 0.425 1.628) 2.506 20.044 ( -0.092 8.936 -1.131) 9.007 20.126 ( 2.453 -0.720 -1.675) 3.057 20.399 ( -1.328 3.435 -0.341) 3.699 20.482 ( 2.164 -6.727 -1.287) 7.183 22.605 ( -3.304 -10.158 4.029) 11.416 22.684 ( -2.012 8.814 2.533) 9.389 22.878 ( 1.230 -5.382 -3.081) 6.322 22.936 ( 3.197 3.972 -1.451) 5.301 28.035 ( -1.277 -5.020 3.259) 6.119 28.127 ( -2.245 0.424 -4.697) 5.224 28.205 ( -3.860 15.251 0.751) 15.750 28.479 ( 11.545 -7.657 -1.418) 13.926 30.969 ( -3.699 -3.607 1.729) 5.448 30.995 ( -2.323 5.281 4.019) 7.031 31.145 ( -0.857 -2.897 -1.660) 3.447 31.241 ( 2.112 2.082 -0.570) 3.020 31.340 ( -2.464 1.886 -0.464) 3.138 31.452 ( 0.581 1.711 4.220) 4.590 31.523 ( -4.821 -4.001 -5.358) 8.244 32.068 ( 16.240 -4.523 -12.472) 20.970 33.000 ( -2.090 1.740 1.568) 3.139 33.170 ( 4.800 2.400 -1.656) 5.616 33.272 ( -4.287 1.584 0.824) 4.644 33.423 ( 1.852 -4.984 -1.914) 5.651 35.444 ( -2.352 0.179 2.386) 3.355 35.521 ( 0.632 -0.066 -0.870) 1.078 35.713 ( -4.215 -1.000 4.453) 6.212 35.865 ( 2.309 1.621 -0.210) 2.829 36.237 ( -5.147 3.346 9.081) 10.961 36.402 ( -4.787 -0.897 4.805) 6.842 37.280 ( -3.409 7.057 -4.748) 9.163 37.557 ( 9.472 -9.567 -4.209) 14.105======================= Grid point 169 (84/114) =======================q-point: (-0.50 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.595 ( -21.297 0.000 -10.309) 23.660 1.606 ( -3.338 0.000 -7.883) 8.561 1.730 ( -3.964 0.000 -14.729) 15.253 2.048 ( 9.873 -0.000 -28.858) 30.501 2.660 ( -14.056 0.000 -2.990) 14.370 2.847 ( -3.528 0.000 6.307) 7.227 2.946 ( 11.282 -0.000 -10.040) 15.103 2.999 ( -0.021 0.000 2.405) 2.405 3.403 ( 4.223 -0.000 -4.448) 6.133 3.411 ( 10.519 -0.000 6.233) 12.227 3.545 ( 6.718 -0.000 5.971) 8.988 3.646 ( 6.954 -0.000 4.284) 8.168 3.763 ( -6.212 0.000 -0.022) 6.212 3.799 ( -1.594 0.000 0.611) 1.707 4.087 ( 8.012 -0.000 6.628) 10.398 4.211 ( -7.590 0.000 5.698) 9.491 4.454 ( 1.699 -0.000 21.026) 21.095 4.541 ( -3.590 0.000 2.748) 4.521 4.714 ( 0.658 -0.000 3.632) 3.691 4.755 ( 5.647 -0.000 -1.716) 5.902 4.955 ( 1.233 -0.000 -6.191) 6.313 5.081 ( -8.275 0.000 -4.519) 9.428 5.279 ( -4.009 0.000 -3.272) 5.175 5.394 ( -7.143 0.000 -13.158) 14.971 5.599 ( 1.285 -0.000 0.722) 1.474 5.716 ( 6.510 -0.000 5.842) 8.747 5.828 ( 0.390 -0.000 -1.387) 1.441 5.963 ( -1.831 0.000 -4.332) 4.703 6.351 ( -2.258 0.000 -0.383) 2.290 6.437 ( 0.790 -0.000 -0.465) 0.916 7.870 ( -3.922 0.000 -0.379) 3.940 7.872 ( -4.217 0.000 -2.347) 4.826 8.298 ( 6.516 -0.000 3.004) 7.175 8.345 ( -1.682 0.000 1.673) 2.373 8.857 ( -3.276 0.000 -0.124) 3.279 8.926 ( 6.603 -0.000 1.718) 6.823 9.095 ( -3.197 0.000 0.328) 3.214 9.252 ( 4.288 -0.000 -8.175) 9.231 9.344 ( -4.174 0.000 -1.769) 4.533 9.347 ( -0.726 0.000 -6.229) 6.272 9.630 ( -4.618 0.000 0.911) 4.707 9.745 ( 3.490 -0.000 -3.245) 4.766 10.218 ( -0.812 0.000 3.681) 3.769 10.361 ( -7.498 0.000 -1.893) 7.733 10.478 ( 5.251 -0.000 5.627) 7.697 10.762 ( -0.358 0.000 -5.914) 5.924 11.051 ( -7.235 0.000 4.265) 8.398 11.121 ( 6.888 -0.000 0.516) 6.908 11.401 ( -2.183 0.000 -3.213) 3.884 11.524 ( -0.275 0.000 -5.809) 5.815 11.813 ( -1.825 0.000 -0.829) 2.004 12.085 ( -8.627 0.000 -11.856) 14.663 12.248 ( 3.207 -0.000 4.885) 5.843 12.396 ( 9.150 -0.000 2.660) 9.529 12.431 ( 6.154 -0.000 6.668) 9.074 12.647 ( -1.626 0.000 1.013) 1.916 12.947 ( 1.634 -0.000 -0.837) 1.836 12.952 ( -0.059 0.000 -0.143) 0.154 13.344 ( 0.852 -0.000 0.149) 0.865 13.432 ( -5.447 0.000 -3.391) 6.417 13.595 ( -1.058 0.000 2.417) 2.638 13.689 ( -1.286 0.000 -3.519) 3.747 14.576 ( 20.219 -0.000 17.888) 26.996 14.623 ( 1.220 -0.000 1.273) 1.763 14.636 ( 1.744 -0.000 0.040) 1.744 14.992 ( -2.791 0.000 1.538) 3.186 14.998 ( -0.107 0.000 -1.239) 1.243 15.218 ( 0.443 -0.000 -5.253) 5.272 15.943 ( 2.540 -0.000 2.778) 3.764 16.242 ( -5.212 0.000 -6.723) 8.506 16.403 ( 0.901 -0.000 0.149) 0.913 16.454 ( -0.647 0.000 -1.406) 1.548 16.939 ( 1.460 -0.000 0.604) 1.580 16.984 ( -0.432 0.000 -1.326) 1.395 17.131 ( 2.339 -0.000 4.091) 4.713 17.382 ( -5.328 0.000 -5.541) 7.687 19.864 ( 4.975 -0.000 2.699) 5.660 19.998 ( -4.595 0.000 -1.250) 4.762 21.047 ( -2.339 0.000 1.169) 2.615 21.093 ( 2.059 -0.000 -0.088) 2.060 21.791 ( -4.195 0.000 5.862) 7.209 22.115 ( 1.477 -0.000 -6.140) 6.315 23.227 ( -2.724 0.000 2.165) 3.480 23.375 ( 1.437 -0.000 -3.972) 4.224 26.905 ( -0.100 0.000 0.215) 0.237 26.907 ( 0.119 -0.000 0.094) 0.151 29.517 ( -0.029 0.000 -0.416) 0.417 29.565 ( -1.789 0.000 -3.887) 4.279 30.286 ( 10.080 -0.000 20.785) 23.100 30.651 ( 2.550 -0.000 2.141) 3.330 30.651 ( 0.239 -0.000 2.470) 2.482 31.194 ( 5.649 -0.000 0.769) 5.701 31.290 ( -0.677 0.000 1.961) 2.075 31.672 ( -3.379 0.000 -14.224) 14.620 32.074 ( -2.458 0.000 -1.682) 2.978 32.184 ( 0.715 -0.000 -6.411) 6.451 32.510 ( 1.225 -0.000 -2.119) 2.448 33.005 ( 11.611 -0.000 -41.236) 42.839 33.435 ( -3.131 0.000 5.296) 6.152 33.647 ( 5.807 -0.000 -6.188) 8.486 35.353 ( -1.432 0.000 3.384) 3.675 35.503 ( 1.350 -0.000 -2.645) 2.969 35.619 ( -4.991 0.000 2.322) 5.504 35.750 ( 4.404 -0.000 -3.468) 5.606 36.192 ( 4.443 -0.000 4.371) 6.233 36.263 ( -6.121 0.000 2.861) 6.756 37.158 ( -3.927 0.000 43.592) 43.768 38.496 ( -9.171 0.000 -17.141) 19.440======================= Grid point 170 (85/114) =======================q-point: (-0.38 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.535 ( -18.609 -14.071 0.624) 23.338 1.633 ( -20.603 -22.269 -9.263) 31.720 1.816 ( 14.404 -8.822 -7.022) 18.292 2.113 ( 6.733 -14.502 -19.940) 25.559 2.497 ( -20.512 -1.397 -4.238) 20.992 2.806 ( -3.174 3.697 6.184) 7.873 2.920 ( 7.072 4.547 -6.786) 10.805 2.970 ( -0.023 4.429 -2.408) 5.041 3.343 ( 2.400 5.254 -0.898) 5.846 3.435 ( 4.219 4.397 -2.267) 6.502 3.609 ( -2.245 7.115 0.618) 7.486 3.675 ( 2.413 3.827 -0.147) 4.527 3.755 ( 10.311 -7.212 6.773) 14.290 3.830 ( -4.125 -1.503 -5.175) 6.786 4.151 ( -9.282 3.333 4.108) 10.684 4.229 ( 12.668 -1.101 10.151) 16.271 4.503 ( -2.731 0.468 6.039) 6.644 4.611 ( -4.245 -2.469 9.432) 10.634 4.733 ( 6.577 3.054 4.518) 8.543 4.801 ( 4.528 2.529 4.857) 7.106 4.968 ( 5.719 -4.676 0.090) 7.387 5.059 ( -2.337 -3.906 -8.881) 9.980 5.213 ( -1.681 0.699 -1.992) 2.699 5.315 ( -6.221 -5.494 -12.147) 14.712 5.603 ( 0.364 1.992 3.433) 3.986 5.761 ( 3.488 0.702 -1.776) 3.976 5.855 ( 1.679 -1.574 1.434) 2.712 5.940 ( -2.226 -2.237 -4.525) 5.517 6.296 ( -0.672 4.755 3.425) 5.898 6.396 ( -0.730 3.962 -1.377) 4.258 7.838 ( -2.268 0.193 0.213) 2.286 7.869 ( 2.255 -0.481 0.887) 2.470 8.301 ( -5.498 1.518 -0.267) 5.710 8.326 ( 2.669 3.030 2.424) 4.709 8.845 ( -0.431 -1.183 2.742) 3.018 9.024 ( 4.535 -4.732 -4.616) 8.016 9.057 ( -3.945 0.443 0.276) 3.979 9.226 ( 0.293 2.029 -6.282) 6.608 9.299 ( -0.593 1.283 -1.291) 1.915 9.315 ( 1.178 0.888 -2.527) 2.926 9.617 ( -4.979 -2.656 0.784) 5.697 9.778 ( 4.306 -2.125 -2.518) 5.422 10.151 ( -2.162 8.386 4.101) 9.582 10.250 ( -1.098 7.612 -0.875) 7.740 10.499 ( 1.254 3.559 4.923) 6.203 10.666 ( -0.342 5.521 -6.138) 8.263 11.079 ( -4.101 -5.352 4.673) 8.203 11.241 ( 6.928 -5.382 1.867) 8.969 11.405 ( -1.363 -3.392 -2.019) 4.176 11.498 ( -0.284 -0.800 -5.220) 5.289 11.752 ( -3.661 4.948 0.327) 6.164 11.904 ( -5.949 6.351 -11.948) 14.781 12.213 ( -3.719 4.074 6.143) 8.256 12.422 ( 6.768 4.089 -1.254) 8.006 12.495 ( 5.131 3.183 7.072) 9.299 12.590 ( -3.942 2.696 -3.278) 5.792 12.899 ( 2.467 3.908 1.955) 5.018 12.953 ( 1.798 1.763 -1.954) 3.187 13.407 ( 4.647 -5.021 3.026) 7.480 13.435 ( -4.948 -4.980 -2.001) 7.300 13.608 ( -2.404 -0.926 0.545) 2.633 13.690 ( 1.024 -1.271 -2.278) 2.802 14.566 ( 5.348 2.787 3.217) 6.835 14.605 ( -2.249 2.374 -3.898) 5.088 14.965 ( -2.495 -6.037 6.636) 9.312 15.035 ( 3.515 -13.824 6.290) 15.589 15.131 ( 7.709 -6.521 -1.204) 10.168 15.269 ( 1.551 -11.241 -4.081) 12.059 16.014 ( -1.480 -2.591 2.866) 4.138 16.095 ( -5.808 3.601 -6.006) 9.098 16.392 ( 1.958 2.992 0.727) 3.648 16.472 ( 4.660 -2.411 -1.409) 5.433 16.980 ( 0.698 -2.846 0.442) 2.964 17.013 ( 1.061 -3.225 -1.487) 3.707 17.223 ( 1.787 -4.912 4.284) 6.758 17.334 ( -4.691 -3.207 -5.306) 7.775 19.934 ( 3.559 -2.357 1.970) 4.702 19.944 ( -5.463 -0.209 -1.792) 5.753 20.919 ( -2.764 11.140 2.048) 11.659 21.025 ( 2.434 9.092 -1.643) 9.555 21.900 ( -3.916 -10.413 6.948) 13.116 22.188 ( 2.223 -9.663 -6.277) 11.735 23.159 ( -2.964 6.079 3.543) 7.635 23.333 ( 2.250 3.809 -3.954) 5.933 27.021 ( -2.044 -12.870 0.541) 13.043 27.076 ( 4.288 -17.043 0.492) 17.581 29.334 ( 0.480 16.978 2.549) 17.175 29.427 ( -2.477 12.049 -4.868) 13.229 30.590 ( 3.831 -9.893 15.617) 18.880 30.687 ( 2.931 -1.818 2.784) 4.433 30.733 ( 3.207 -5.773 6.141) 9.017 31.265 ( 5.500 -2.923 -3.521) 7.155 31.312 ( -3.066 -2.150 1.964) 4.229 31.550 ( -3.590 -0.646 -15.483) 15.907 31.919 ( -1.394 11.307 -1.087) 11.444 32.096 ( -0.815 4.249 -15.011) 15.622 32.636 ( -0.573 -11.509 -0.699) 11.544 32.898 ( 3.305 -5.180 -27.528) 28.205 33.422 ( -1.656 2.322 4.160) 5.044 33.631 ( 6.273 3.377 -5.456) 8.974 35.377 ( -1.627 -1.799 2.945) 3.815 35.486 ( 0.509 0.625 -1.776) 1.950 35.613 ( -4.658 -1.826 2.775) 5.721 35.815 ( 5.243 -3.863 -3.436) 7.363 36.223 ( -3.569 0.013 3.152) 4.762 36.276 ( 1.906 -2.824 2.592) 4.281 37.333 ( 1.314 7.931 43.552) 44.288 38.230 ( -6.639 9.907 -20.606) 23.808======================= Grid point 171 (86/114) =======================q-point: (-0.25 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 196Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.680 ( -18.992 -19.904 -4.302) 27.846 2.046 ( -9.476 -30.627 7.650) 32.960 2.105 ( 6.021 -9.382 0.064) 11.148 2.218 ( -13.495 -9.380 -1.174) 16.476 2.540 ( 2.200 -17.842 -11.199) 21.180 2.745 ( -9.284 2.786 -1.150) 9.761 2.852 ( 4.917 4.062 -6.674) 9.232 2.896 ( -2.257 -5.069 -0.510) 5.572 3.255 ( 5.093 7.580 0.042) 9.133 3.354 ( 5.684 5.758 -3.796) 8.937 3.489 ( 0.878 4.861 0.152) 4.942 3.583 ( 0.123 5.683 -2.886) 6.375 3.739 ( -3.665 4.104 -5.049) 7.468 3.932 ( 0.051 -2.108 4.756) 5.203 4.021 ( -2.448 5.166 1.655) 5.951 4.370 ( 12.223 3.021 7.559) 14.686 4.512 ( -1.110 -0.416 2.551) 2.813 4.574 ( -2.904 4.862 0.394) 5.677 4.765 ( 6.619 4.200 8.937) 11.888 4.780 ( -1.427 2.620 0.352) 3.004 5.006 ( 1.774 1.877 -8.590) 8.969 5.078 ( 6.497 0.757 0.106) 6.542 5.360 ( 3.487 -12.814 5.177) 14.253 5.376 ( -2.629 -9.384 -5.723) 11.301 5.573 ( -2.218 2.546 3.706) 5.014 5.739 ( 1.737 0.709 -6.077) 6.360 5.904 ( -1.756 -3.023 2.051) 4.053 5.958 ( -0.744 -2.921 -3.080) 4.310 6.224 ( -1.866 5.635 3.228) 6.757 6.304 ( 2.728 4.885 1.182) 5.718 7.836 ( -0.117 -0.522 0.563) 0.777 7.914 ( 4.135 -0.383 1.415) 4.387 8.164 ( -11.462 3.367 -3.894) 12.565 8.326 ( 3.895 2.614 3.858) 6.074 8.902 ( -1.933 -1.958 2.980) 4.056 9.031 ( -2.837 -0.805 0.248) 2.959 9.081 ( 1.476 1.788 -2.197) 3.194 9.135 ( -0.714 0.261 -4.096) 4.166 9.265 ( 3.061 2.699 1.358) 4.301 9.314 ( 2.759 0.375 -1.989) 3.422 9.653 ( -4.288 -4.454 -1.114) 6.282 9.833 ( 1.678 -1.902 -5.404) 5.969 10.005 ( 0.873 6.854 6.456) 9.457 10.087 ( 2.238 10.249 1.244) 10.564 10.434 ( -2.700 4.836 2.618) 6.127 10.542 ( 0.214 4.996 -3.889) 6.335 11.194 ( -1.048 -4.679 5.907) 7.608 11.371 ( -0.042 -2.355 3.479) 4.201 11.450 ( 0.769 -2.835 -6.490) 7.123 11.508 ( -1.831 -2.693 1.649) 3.650 11.621 ( -3.609 3.391 -2.992) 5.785 11.689 ( -2.139 5.741 -4.088) 7.365 12.187 ( -3.436 -1.926 2.010) 4.422 12.385 ( 6.578 3.742 -1.543) 7.724 12.475 ( -1.729 2.046 1.669) 3.156 12.518 ( -0.496 1.856 -0.960) 2.148 12.855 ( 2.064 5.548 0.077) 5.920 12.886 ( 2.097 5.710 -0.451) 6.100 13.501 ( -3.812 -7.156 -0.201) 8.110 13.569 ( -0.427 -0.371 -0.086) 0.572 13.592 ( 3.622 -3.665 4.164) 6.625 13.728 ( 3.555 -3.020 -2.338) 5.218 14.452 ( -12.463 3.901 -7.073) 14.852 14.616 ( 2.902 -2.028 1.709) 3.931 15.065 ( -3.077 -6.955 1.494) 7.751 15.203 ( 5.002 -2.804 1.040) 5.828 15.371 ( 4.375 -9.124 4.314) 11.000 15.520 ( 6.273 -8.952 -2.669) 11.252 15.925 ( -7.240 -0.007 1.237) 7.345 16.118 ( -2.281 -5.283 -2.326) 6.207 16.338 ( -0.237 4.974 1.113) 5.102 16.602 ( 13.307 -3.927 -1.155) 13.923 17.015 ( -2.209 -2.812 -1.790) 3.999 17.093 ( 4.130 -3.031 0.485) 5.145 17.320 ( -2.924 -3.949 0.087) 4.914 17.391 ( 0.707 -5.914 -0.539) 5.981 19.932 ( -4.508 -3.928 -0.649) 6.014 20.018 ( 1.784 -4.696 -1.854) 5.355 20.684 ( -2.655 13.333 2.543) 13.830 20.825 ( 2.701 13.345 -2.697) 13.880 22.132 ( -3.718 -13.800 6.958) 15.896 22.385 ( 3.083 -13.343 -5.793) 14.870 23.042 ( -2.077 7.515 5.748) 9.687 23.233 ( 3.063 7.094 -3.871) 8.642 27.295 ( -4.075 -19.411 0.407) 19.839 27.536 ( 13.272 -24.414 0.732) 27.798 29.005 ( -0.631 21.727 3.652) 22.041 29.072 ( -2.601 21.039 -5.715) 21.956 30.724 ( -1.397 -5.742 -0.331) 5.919 30.819 ( 3.980 -6.930 0.448) 8.004 30.992 ( 0.793 -8.909 16.069) 18.391 31.246 ( -10.326 -5.188 -15.061) 18.984 31.393 ( 2.728 -3.854 0.096) 4.723 31.491 ( 2.075 3.429 1.988) 4.474 31.696 ( -0.605 12.714 1.136) 12.779 31.937 ( 1.996 -1.004 -21.232) 21.349 32.812 ( -4.884 -10.329 -2.623) 11.723 32.953 ( 0.620 -9.618 -6.493) 11.622 33.379 ( -0.717 3.637 2.918) 4.718 33.564 ( 6.117 6.115 -4.531) 9.765 35.412 ( -1.893 -1.776 2.144) 3.366 35.484 ( 0.095 -1.059 -1.030) 1.481 35.639 ( -4.584 -2.760 4.117) 6.751 35.882 ( 3.372 -1.424 -2.393) 4.373 36.232 ( -2.638 -1.488 3.744) 4.815 36.362 ( 0.961 -3.309 2.178) 4.076 37.382 ( 1.801 10.125 31.651) 33.280 37.865 ( -1.256 13.862 -20.272) 24.591======================= Grid point 172 (87/114) =======================q-point: (-0.12 -0.50 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.877 ( -14.987 -17.087 -7.701) 23.997 2.014 ( -19.821 -4.312 0.780) 20.299 2.422 ( 2.881 -0.667 3.555) 4.624 2.465 ( -3.176 -2.355 2.180) 4.515 2.587 ( -0.716 -6.949 -0.877) 7.041 2.769 ( -1.666 -3.912 -4.729) 6.359 2.974 ( 0.924 -22.787 3.606) 23.089 3.023 ( 1.010 -3.303 -11.069) 11.595 3.226 ( 2.788 -2.739 4.856) 6.233 3.336 ( 4.665 -2.771 -2.161) 5.841 3.441 ( 3.308 3.912 -0.323) 5.134 3.510 ( 1.827 -1.411 1.736) 2.888 3.609 ( 2.053 6.193 -2.732) 7.073 3.888 ( -7.587 -0.326 -0.477) 7.609 3.980 ( 7.868 8.135 4.185) 12.066 4.377 ( -1.386 1.271 -0.994) 2.127 4.441 ( -3.453 4.790 -5.913) 8.356 4.553 ( 10.587 2.908 5.116) 12.113 4.687 ( -1.427 4.989 1.971) 5.551 4.803 ( 3.939 1.395 6.972) 8.128 4.939 ( 0.103 1.503 -9.677) 9.793 5.121 ( 6.476 0.520 3.281) 7.278 5.405 ( -5.984 -0.453 -6.722) 9.011 5.512 ( -2.163 2.168 3.487) 4.641 5.643 ( 2.371 -7.278 5.429) 9.384 5.714 ( 1.883 0.388 -2.340) 3.029 5.968 ( -6.305 -4.875 2.955) 8.500 5.992 ( 0.747 -3.894 -3.407) 5.228 6.103 ( -1.103 5.693 0.242) 5.804 6.300 ( 6.935 2.748 2.677) 7.926 7.828 ( -1.365 1.861 -2.748) 3.589 7.916 ( -3.167 0.218 -1.680) 3.592 8.052 ( -3.052 0.729 0.996) 3.292 8.330 ( 2.734 1.744 2.650) 4.188 8.875 ( -3.222 0.885 -2.612) 4.241 8.956 ( -2.835 3.986 -1.008) 4.994 9.097 ( 1.297 0.344 5.903) 6.054 9.124 ( 2.657 1.856 -1.278) 3.484 9.279 ( 0.684 -0.080 1.308) 1.478 9.334 ( 4.923 -0.861 -0.231) 5.003 9.652 ( -3.698 -0.984 -0.371) 3.845 9.850 ( 1.292 -3.720 -3.096) 5.009 9.942 ( 1.816 6.182 -1.660) 6.654 10.055 ( 2.846 -2.657 5.063) 6.387 10.348 ( -4.281 2.901 2.110) 5.585 10.433 ( -0.161 4.923 -3.505) 6.045 11.234 ( -4.306 1.875 5.469) 7.209 11.371 ( -1.297 0.603 1.472) 2.053 11.428 ( -3.476 0.749 -1.831) 4.000 11.485 ( 1.159 1.530 1.780) 2.617 11.617 ( -0.636 -4.086 -4.046) 5.785 11.735 ( 2.896 -7.459 0.207) 8.005 12.240 ( 0.692 -3.518 -0.226) 3.592 12.377 ( 6.055 2.832 0.399) 6.696 12.461 ( -2.490 -0.271 -0.756) 2.617 12.491 ( -2.850 -2.592 0.255) 3.861 12.722 ( 0.804 7.037 -2.821) 7.624 12.802 ( 4.145 8.202 2.228) 9.456 13.521 ( -1.888 1.963 1.043) 2.916 13.614 ( -1.712 -7.819 -0.498) 8.019 13.722 ( 4.307 -1.996 3.918) 6.155 13.815 ( 2.545 -4.454 -3.952) 6.476 14.241 ( -13.702 3.151 -4.382) 14.727 14.658 ( 0.973 0.225 -0.710) 1.226 15.157 ( -2.972 -6.871 -2.608) 7.927 15.332 ( 6.723 -2.781 4.743) 8.684 15.465 ( 1.265 2.636 -0.413) 2.953 15.568 ( 3.291 0.463 2.145) 3.955 16.034 ( -3.595 -8.993 4.024) 10.488 16.178 ( -9.130 -7.507 -4.309) 12.580 16.220 ( 1.864 6.435 -0.278) 6.706 16.734 ( 14.595 1.492 -1.124) 14.714 17.034 ( -0.673 -1.140 -1.975) 2.378 17.171 ( 3.529 -2.360 0.500) 4.274 17.335 ( -4.532 -0.990 -0.203) 4.644 17.475 ( 0.711 -2.539 0.310) 2.655 20.010 ( -3.331 -7.987 0.296) 8.659 20.091 ( 1.388 -2.958 -4.894) 5.885 20.483 ( -1.068 7.467 2.727) 8.021 20.587 ( 2.615 13.535 -2.847) 14.077 22.388 ( -3.341 -13.394 6.334) 15.188 22.618 ( 3.230 -12.757 -4.952) 14.060 22.917 ( -1.537 8.715 5.389) 10.361 23.092 ( 3.057 8.988 -3.243) 10.032 27.634 ( -4.237 -22.137 -0.169) 22.539 28.047 ( 14.793 -17.362 -0.573) 22.817 28.590 ( -3.336 21.567 -3.428) 22.091 28.670 ( 1.109 20.755 2.196) 20.900 30.836 ( -2.037 -8.127 -0.358) 8.387 30.978 ( 2.355 -7.609 -0.672) 7.993 31.115 ( -5.064 1.624 2.368) 5.821 31.199 ( -7.546 -7.515 -8.042) 13.345 31.394 ( 1.027 6.778 -0.209) 6.859 31.456 ( 0.986 3.574 -3.275) 4.947 31.531 ( -3.065 3.587 9.565) 10.666 31.988 ( 11.667 -8.452 -12.525) 19.090 32.915 ( -5.214 -7.464 -0.340) 9.111 33.111 ( -0.007 -8.337 -0.522) 8.353 33.320 ( -0.482 3.529 1.226) 3.767 33.465 ( 4.940 6.850 -3.149) 9.013 35.432 ( -2.305 -0.868 1.883) 3.100 35.504 ( 0.090 -1.435 -0.917) 1.706 35.679 ( -3.560 -2.304 4.877) 6.462 35.898 ( 1.134 0.313 -0.546) 1.297 36.259 ( -3.546 -0.716 5.356) 6.463 36.406 ( -2.529 0.094 4.702) 5.340 37.404 ( 2.605 5.773 11.144) 12.818 37.538 ( 3.112 8.211 -13.722) 16.291======================= Grid point 178 (88/114) =======================q-point: (-0.38 -0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.163 ( -24.564 0.000 -2.789) 24.722 1.243 ( -23.709 0.000 -0.054) 23.709 1.800 ( 14.143 -0.000 -4.012) 14.701 1.967 ( 12.871 -0.000 -15.298) 19.992 2.263 ( -32.057 0.000 1.899) 32.113 2.883 ( -3.505 0.000 6.875) 7.717 2.893 ( -6.964 0.000 -4.781) 8.447 3.044 ( 5.240 -0.000 -2.988) 6.032 3.390 ( -0.927 0.000 -1.887) 2.103 3.496 ( 4.440 -0.000 -4.438) 6.277 3.657 ( -6.392 0.000 -2.634) 6.913 3.694 ( -2.834 0.000 -3.208) 4.280 3.736 ( 3.794 -0.000 6.007) 7.105 3.874 ( 13.865 -0.000 -1.843) 13.987 4.136 ( -7.810 0.000 1.340) 7.925 4.367 ( 13.292 -0.000 7.710) 15.366 4.533 ( -1.164 0.000 4.323) 4.477 4.584 ( -3.332 0.000 8.394) 9.031 4.771 ( 1.918 -0.000 3.464) 3.960 4.917 ( 3.640 -0.000 -7.898) 8.696 4.944 ( -1.312 0.000 -11.123) 11.200 4.974 ( 11.043 -0.000 7.476) 13.336 5.209 ( -1.109 0.000 0.479) 1.208 5.242 ( 3.645 -0.000 4.569) 5.845 5.647 ( -0.180 0.000 3.512) 3.516 5.756 ( -0.568 0.000 -7.611) 7.633 5.863 ( 0.999 -0.000 2.218) 2.433 5.871 ( -0.686 0.000 -4.109) 4.166 6.345 ( -1.692 0.000 3.504) 3.891 6.412 ( -1.365 0.000 -2.444) 2.799 7.877 ( 3.294 -0.000 2.387) 4.068 7.886 ( 4.704 -0.000 3.635) 5.945 8.238 ( -10.667 0.000 -1.788) 10.816 8.386 ( 1.229 -0.000 1.965) 2.317 8.851 ( 1.183 -0.000 1.783) 2.140 8.967 ( 1.936 -0.000 -6.113) 6.412 9.027 ( -2.276 0.000 -0.824) 2.420 9.201 ( -3.292 0.000 -4.779) 5.803 9.304 ( 3.013 -0.000 -1.458) 3.347 9.355 ( 3.393 -0.000 1.838) 3.859 9.550 ( -6.443 0.000 1.626) 6.645 9.770 ( 2.570 -0.000 -3.090) 4.019 10.269 ( 1.508 -0.000 6.031) 6.217 10.300 ( -0.398 0.000 0.207) 0.449 10.583 ( -0.403 0.000 4.663) 4.680 10.679 ( 0.580 -0.000 -7.602) 7.625 11.014 ( -1.962 0.000 2.889) 3.492 11.265 ( 9.601 -0.000 2.366) 9.888 11.367 ( -0.534 0.000 1.569) 1.658 11.456 ( 0.471 -0.000 -6.855) 6.871 11.796 ( -4.272 0.000 4.070) 5.900 11.827 ( -9.518 0.000 -7.113) 11.882 12.267 ( -5.440 0.000 2.138) 5.845 12.475 ( 2.106 -0.000 -4.553) 5.017 12.554 ( -4.863 0.000 -5.363) 7.239 12.660 ( 8.850 -0.000 10.287) 13.570 12.946 ( 1.939 -0.000 -3.982) 4.429 12.978 ( 3.451 -0.000 0.753) 3.532 13.364 ( 0.485 -0.000 -1.727) 1.794 13.402 ( 4.195 -0.000 3.400) 5.400 13.605 ( -1.154 0.000 1.886) 2.211 13.652 ( -0.079 0.000 -1.638) 1.640 14.626 ( 0.514 -0.000 -0.262) 0.577 14.647 ( 0.122 -0.000 -1.637) 1.642 14.896 ( -8.186 0.000 -12.425) 14.879 14.958 ( -0.452 0.000 8.250) 8.263 15.014 ( 7.607 -0.000 2.602) 8.040 15.155 ( 2.212 -0.000 -6.071) 6.462 16.012 ( -11.018 0.000 -11.665) 16.046 16.045 ( 2.947 -0.000 10.968) 11.357 16.441 ( 2.645 -0.000 -0.502) 2.692 16.458 ( 3.069 -0.000 -1.204) 3.297 16.965 ( 0.652 -0.000 -1.996) 2.100 16.967 ( 1.019 -0.000 0.874) 1.342 17.224 ( -5.692 0.000 -5.936) 8.224 17.235 ( 2.837 -0.000 6.858) 7.422 19.874 ( -7.712 0.000 -2.948) 8.256 19.963 ( 2.955 -0.000 3.829) 4.837 21.019 ( -2.772 0.000 1.018) 2.953 21.123 ( 2.090 -0.000 -0.279) 2.109 21.822 ( -2.453 0.000 9.150) 9.473 22.073 ( 2.345 -0.000 -6.354) 6.773 23.218 ( -1.966 0.000 3.125) 3.692 23.365 ( 2.561 -0.000 -3.208) 4.105 26.905 ( -0.153 0.000 0.144) 0.210 26.909 ( 0.052 -0.000 0.012) 0.054 29.503 ( -0.729 0.000 0.232) 0.765 29.506 ( -1.743 0.000 -1.104) 2.063 30.597 ( -1.374 0.000 12.113) 12.190 30.711 ( 3.103 -0.000 0.341) 3.122 30.755 ( 4.560 -0.000 13.688) 14.428 31.191 ( -4.479 0.000 -35.423) 35.705 31.320 ( 1.918 -0.000 4.007) 4.442 31.357 ( -2.593 0.000 -7.908) 8.322 31.996 ( -5.723 0.000 -0.795) 5.778 32.116 ( -1.312 0.000 -4.289) 4.485 32.516 ( 0.573 -0.000 0.641) 0.860 32.671 ( -1.490 0.000 -26.739) 26.780 33.454 ( -0.995 0.000 3.377) 3.520 33.683 ( 7.191 -0.000 -5.452) 9.024 35.364 ( -2.004 0.000 3.279) 3.842 35.483 ( -0.117 0.000 -2.658) 2.661 35.580 ( -3.095 0.000 2.197) 3.796 35.801 ( 6.310 -0.000 -2.560) 6.809 36.183 ( -5.806 0.000 0.320) 5.815 36.307 ( 3.717 -0.000 4.213) 5.618 37.737 ( 10.461 -0.000 48.487) 49.602 38.145 ( -5.566 0.000 -22.545) 23.222======================= Grid point 179 (89/114) =======================q-point: (-0.25 -0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.177 ( -21.799 -16.145 -0.848) 27.140 1.394 ( -15.587 -32.436 11.943) 37.917 1.923 ( -20.904 -4.725 3.125) 21.657 2.061 ( 17.096 -8.984 4.001) 19.722 2.195 ( -3.816 -12.237 -3.923) 13.405 2.748 ( -12.885 4.195 -1.795) 13.669 2.856 ( -6.698 2.454 4.053) 8.205 2.967 ( 2.982 8.901 -6.687) 11.525 3.351 ( -0.840 2.100 0.721) 2.374 3.449 ( 3.016 4.126 -6.213) 8.045 3.563 ( -3.477 2.609 -4.044) 5.937 3.638 ( -0.295 1.530 -3.480) 3.813 3.768 ( 3.421 2.867 -1.076) 4.591 3.967 ( 7.538 -0.062 0.782) 7.579 4.057 ( -4.521 1.867 -0.694) 4.940 4.482 ( 1.155 1.108 4.249) 4.541 4.531 ( 7.092 -0.411 -0.133) 7.105 4.628 ( -0.085 0.782 1.700) 1.873 4.837 ( 2.226 2.496 -0.014) 3.344 4.883 ( 4.430 -4.179 -0.561) 6.116 4.934 ( 1.816 -4.108 -10.523) 11.441 5.148 ( 6.965 -5.042 5.485) 10.199 5.218 ( 4.183 2.817 5.088) 7.163 5.324 ( 8.303 -0.993 10.035) 13.062 5.626 ( -2.772 2.794 1.556) 4.232 5.702 ( -0.573 -1.141 -7.871) 7.973 5.862 ( -0.105 -0.513 -0.035) 0.525 5.904 ( -0.460 -2.228 -0.381) 2.307 6.303 ( -3.129 4.476 0.938) 5.541 6.381 ( 0.713 1.225 0.673) 1.569 7.884 ( 3.541 2.408 3.252) 5.377 7.934 ( -0.285 1.260 -0.002) 1.292 8.136 ( -5.854 2.298 -0.302) 6.296 8.377 ( -1.437 1.458 0.334) 2.074 8.874 ( -1.449 -0.221 0.327) 1.502 8.985 ( -0.854 -3.814 4.213) 5.747 9.063 ( 4.965 -3.384 -2.536) 6.522 9.122 ( -4.601 2.531 -2.693) 5.902 9.329 ( 2.203 0.171 -0.561) 2.280 9.366 ( 4.939 2.430 1.849) 5.807 9.550 ( -3.523 -2.970 1.535) 4.857 9.775 ( -0.531 -1.521 -4.390) 4.676 10.196 ( -1.251 10.078 3.427) 10.718 10.259 ( 1.737 4.957 -0.233) 5.258 10.528 ( -4.095 6.059 4.135) 8.401 10.622 ( 4.398 4.305 -3.252) 6.961 11.108 ( 2.463 -7.283 3.208) 8.330 11.371 ( 0.672 -0.542 5.353) 5.422 11.389 ( 5.686 -1.929 -4.565) 7.543 11.452 ( 0.896 -2.769 -1.226) 3.158 11.663 ( -7.637 5.381 1.818) 9.518 11.753 ( -6.450 4.644 0.396) 7.958 12.176 ( -6.343 3.029 2.012) 7.311 12.430 ( 0.936 1.348 -4.290) 4.593 12.473 ( -3.006 1.772 -4.749) 5.893 12.655 ( 3.017 8.696 3.894) 9.994 12.916 ( 1.162 2.330 -4.677) 5.353 12.988 ( 4.017 2.427 0.855) 4.771 13.382 ( 0.080 -3.061 -0.278) 3.075 13.555 ( 7.407 -7.131 4.860) 11.372 13.587 ( -1.988 1.382 2.534) 3.505 13.689 ( 1.362 -2.983 -2.063) 3.874 14.399 ( -13.020 8.253 -10.790) 18.817 14.622 ( 0.612 1.204 0.208) 1.367 14.915 ( -4.519 -7.990 0.684) 9.205 15.143 ( 2.425 -6.947 3.089) 7.980 15.241 ( 3.763 -11.968 -3.582) 13.047 15.269 ( 8.999 -20.590 -7.684) 23.749 15.868 ( -10.427 -0.208 -6.348) 12.209 16.112 ( 1.692 2.522 8.511) 9.037 16.447 ( 4.370 3.603 0.322) 5.674 16.538 ( 6.975 -9.181 -4.264) 12.293 16.946 ( -0.861 -0.836 -2.075) 2.397 17.047 ( 2.444 -4.849 -0.335) 5.441 17.202 ( -4.205 -4.546 -3.136) 6.941 17.320 ( 1.396 -3.055 5.873) 6.766 19.820 ( -7.019 -2.568 -2.465) 7.870 19.989 ( 0.587 0.567 1.434) 1.649 20.897 ( -2.805 10.676 1.794) 11.183 21.043 ( 2.194 9.643 -1.680) 10.031 21.949 ( -1.812 -8.858 9.936) 13.434 22.159 ( 3.037 -10.227 -5.790) 12.138 23.175 ( -1.305 5.053 5.145) 7.329 23.337 ( 3.386 3.760 -3.248) 6.013 26.999 ( -1.233 -11.109 0.189) 11.178 27.174 ( 9.199 -25.102 -1.162) 26.759 29.333 ( -2.948 16.343 -1.657) 16.689 29.374 ( -0.679 13.821 1.384) 13.906 30.623 ( -4.499 -1.717 -5.930) 7.638 30.764 ( 3.405 -2.904 -0.490) 4.502 30.902 ( -14.709 -8.523 -25.749) 30.855 30.925 ( -2.858 -6.753 8.577) 11.284 31.360 ( 2.220 -2.230 3.587) 4.771 31.491 ( 6.417 -7.749 1.411) 10.160 31.863 ( -4.852 6.811 -2.261) 8.662 31.949 ( -2.095 12.185 -4.382) 13.117 32.580 ( -4.589 -8.558 -3.661) 10.378 32.709 ( -1.058 -12.689 -5.511) 13.874 33.444 ( -0.495 2.273 2.486) 3.404 33.676 ( 7.205 3.551 -5.068) 9.498 35.380 ( -2.052 -1.394 2.781) 3.727 35.465 ( -0.356 -0.141 -1.868) 1.907 35.589 ( -2.810 -1.839 3.267) 4.685 35.859 ( 4.560 -2.076 -2.871) 5.775 36.177 ( -2.409 -3.586 -0.144) 4.323 36.351 ( 1.590 -0.251 2.469) 2.948 37.868 ( 2.865 15.597 16.714) 23.040 37.965 ( 5.866 10.404 2.255) 12.155======================= Grid point 180 (90/114) =======================q-point: (-0.12 -0.38 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.387 ( -14.674 -20.834 1.476) 25.525 1.737 ( -27.135 -10.216 8.561) 30.232 2.166 ( 2.147 -30.507 14.033) 33.648 2.398 ( -5.390 -9.454 -7.952) 13.479 2.453 ( 11.548 -12.865 6.311) 18.404 2.556 ( -9.639 -2.294 -0.887) 9.948 2.777 ( -5.172 4.786 -5.763) 9.103 2.836 ( -4.603 -6.064 2.623) 8.052 3.313 ( 4.415 4.914 -1.539) 6.783 3.362 ( 0.230 3.053 -2.053) 3.686 3.507 ( 0.630 -0.422 -3.430) 3.513 3.607 ( 4.045 4.076 3.986) 6.991 3.700 ( 4.394 4.956 -4.515) 8.016 3.915 ( -0.955 5.464 0.091) 5.548 4.072 ( 0.928 -1.579 1.453) 2.337 4.419 ( -2.552 5.187 -0.962) 5.861 4.516 ( 1.502 5.313 -3.916) 6.769 4.645 ( 8.671 0.196 -5.061) 10.042 4.772 ( 1.042 3.714 -1.133) 4.021 4.920 ( 0.732 2.192 -7.374) 7.727 5.000 ( 11.805 2.323 6.978) 13.909 5.224 ( 5.163 2.902 5.877) 8.343 5.275 ( -3.231 -4.543 -2.131) 5.968 5.506 ( 0.755 -5.982 2.589) 6.561 5.555 ( -3.266 -0.558 3.541) 4.850 5.736 ( 6.439 -1.452 0.296) 6.607 5.863 ( -5.564 -1.562 1.680) 6.018 5.928 ( 0.583 -1.753 -2.075) 2.778 6.183 ( -2.287 5.332 -1.275) 5.940 6.391 ( 4.091 0.861 1.435) 4.420 7.827 ( -8.912 2.923 -4.381) 10.352 7.895 ( 2.432 0.524 1.549) 2.930 8.086 ( 0.423 3.147 2.097) 3.805 8.342 ( -3.632 -0.557 -0.733) 3.747 8.859 ( -0.716 0.265 1.372) 1.570 9.005 ( -2.833 4.376 -1.260) 5.363 9.084 ( -0.998 -3.821 2.589) 4.722 9.167 ( 3.690 -0.931 1.835) 4.225 9.305 ( -1.484 1.864 2.337) 3.338 9.395 ( 7.375 1.301 2.006) 7.753 9.587 ( -0.580 -1.837 -1.626) 2.521 9.770 ( -1.561 -3.169 -3.973) 5.317 10.025 ( -3.456 6.194 0.385) 7.104 10.188 ( 4.750 5.754 2.146) 7.764 10.386 ( -7.122 6.347 3.145) 10.045 10.544 ( 4.043 7.150 -1.432) 8.338 11.242 ( -0.733 -1.197 2.310) 2.703 11.345 ( -3.540 -0.984 1.928) 4.149 11.440 ( 3.431 1.138 -1.325) 3.850 11.519 ( 0.468 -3.434 -1.131) 3.646 11.546 ( -5.140 3.729 4.608) 7.847 11.687 ( 1.689 -1.441 3.162) 3.864 12.160 ( -2.674 -4.167 1.397) 5.144 12.400 ( -1.516 1.455 -4.219) 4.713 12.444 ( 1.309 -1.633 1.947) 2.859 12.537 ( 1.125 5.359 -2.352) 5.959 12.820 ( 0.511 5.624 -4.979) 7.529 12.962 ( 4.097 4.873 0.431) 6.381 13.460 ( 0.267 -5.631 -1.307) 5.787 13.551 ( -3.098 1.194 3.644) 4.930 13.737 ( 1.456 -2.927 -3.710) 4.945 13.764 ( 7.984 -4.526 6.908) 11.487 14.149 ( -12.952 3.079 -6.966) 15.025 14.628 ( -1.120 -1.396 0.058) 1.791 15.018 ( -2.340 -6.052 0.559) 6.513 15.327 ( 7.199 -7.765 2.990) 11.003 15.428 ( 0.536 -8.899 -2.170) 9.176 15.565 ( 6.381 -4.184 -8.019) 11.069 15.834 ( -7.512 -8.559 1.745) 11.520 16.080 ( -3.377 3.397 4.533) 6.595 16.377 ( 3.563 7.610 -0.177) 8.405 16.780 ( 15.327 -7.944 -7.130) 18.678 16.979 ( 1.199 -3.988 -2.951) 5.104 17.141 ( 1.918 -3.806 -0.892) 4.354 17.249 ( -3.957 -4.468 -0.826) 6.025 17.412 ( -0.654 -3.939 2.328) 4.622 19.843 ( -5.375 -6.516 -1.192) 8.530 19.995 ( -0.384 -3.121 -4.036) 5.116 20.676 ( -2.397 12.227 3.064) 12.831 20.836 ( 2.444 13.402 -2.440) 13.839 22.179 ( -2.024 -11.982 8.981) 15.111 22.373 ( 3.324 -13.716 -4.853) 14.924 23.088 ( -0.900 7.553 5.142) 9.181 23.246 ( 3.614 7.314 -3.441) 8.854 27.250 ( -2.122 -17.853 0.219) 17.980 27.777 ( 20.640 -27.016 -6.480) 34.611 28.913 ( -5.683 22.201 -5.878) 23.659 29.066 ( -1.953 20.458 4.123) 20.961 30.621 ( -8.079 -11.279 -8.705) 16.378 30.860 ( 1.369 -6.596 -1.697) 6.947 30.899 ( -3.262 -8.837 -9.638) 13.476 31.099 ( -3.616 -6.056 8.419) 10.983 31.446 ( 0.147 -2.582 5.124) 5.740 31.570 ( 0.857 7.445 2.519) 7.906 31.692 ( -2.178 12.237 0.688) 12.448 31.822 ( 5.046 -9.600 -8.112) 13.543 32.705 ( -5.386 -10.509 -0.389) 11.816 32.914 ( -1.611 -12.184 -0.365) 12.295 33.396 ( -0.505 3.905 1.865) 4.357 33.613 ( 6.631 6.369 -4.439) 10.210 35.404 ( -2.025 -1.396 2.033) 3.191 35.470 ( -0.132 -1.487 -1.061) 1.832 35.635 ( -2.879 -2.928 5.122) 6.565 35.885 ( -0.046 -0.795 -1.801) 1.969 36.250 ( 1.126 -2.542 1.393) 3.109 36.373 ( -1.276 -2.353 -0.804) 2.795 37.646 ( 2.253 10.919 -4.689) 12.095 37.761 ( 1.706 20.707 13.808) 24.947======================= Grid point 187 (91/114) =======================q-point: (-0.25 -0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 114Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.839 ( -22.582 0.000 11.957) 25.552 1.045 ( -18.007 0.000 24.693) 30.561 1.746 ( -33.324 0.000 19.775) 38.750 2.107 ( 15.502 -0.000 1.357) 15.561 2.124 ( 12.785 -0.000 5.489) 13.914 2.629 ( -22.536 0.000 -1.081) 22.562 2.879 ( -4.682 0.000 3.453) 5.817 3.080 ( 5.069 -0.000 -4.487) 6.769 3.355 ( -3.397 0.000 3.591) 4.943 3.450 ( -0.483 0.000 -10.237) 10.249 3.558 ( -2.154 0.000 -16.659) 16.797 3.575 ( 1.776 -0.000 -1.475) 2.309 3.786 ( 0.326 -0.000 -0.691) 0.764 3.994 ( -2.595 0.000 -2.800) 3.818 4.076 ( 8.690 -0.000 -1.505) 8.819 4.523 ( -0.099 0.000 0.524) 0.533 4.574 ( 5.456 -0.000 -5.340) 7.634 4.619 ( -1.441 0.000 4.418) 4.647 4.779 ( 0.349 -0.000 -8.128) 8.135 4.832 ( 2.786 -0.000 -11.141) 11.484 4.925 ( 6.417 -0.000 7.186) 9.634 5.264 ( 12.736 -0.000 12.537) 17.872 5.360 ( 6.891 -0.000 7.387) 10.102 5.441 ( 7.914 -0.000 5.616) 9.704 5.617 ( -6.269 0.000 -3.196) 7.037 5.639 ( 1.708 -0.000 -5.708) 5.958 5.875 ( -1.741 0.000 5.256) 5.537 5.889 ( 5.069 -0.000 0.090) 5.070 6.349 ( -2.442 0.000 2.760) 3.685 6.369 ( -1.793 0.000 -0.516) 1.866 7.867 ( -9.273 0.000 -1.915) 9.469 8.026 ( 5.092 -0.000 1.712) 5.372 8.124 ( -1.295 0.000 1.919) 2.315 8.385 ( -0.004 0.000 -4.755) 4.755 8.885 ( 0.916 -0.000 -0.253) 0.950 8.967 ( -1.252 0.000 9.800) 9.880 9.060 ( 7.362 -0.000 -1.017) 7.431 9.112 ( -3.506 0.000 1.406) 3.778 9.350 ( 3.214 -0.000 0.241) 3.223 9.429 ( 4.324 -0.000 1.093) 4.460 9.519 ( -1.647 0.000 4.001) 4.327 9.736 ( -1.017 0.000 -2.224) 2.446 10.271 ( -7.631 0.000 -5.059) 9.156 10.293 ( -0.275 0.000 -2.964) 2.977 10.573 ( -6.604 0.000 5.131) 8.363 10.746 ( 14.013 -0.000 2.903) 14.311 11.054 ( 3.921 -0.000 0.466) 3.948 11.394 ( 1.852 -0.000 -6.122) 6.396 11.420 ( 0.923 -0.000 6.884) 6.946 11.435 ( 6.341 -0.000 1.306) 6.474 11.700 ( -2.309 0.000 7.723) 8.061 11.743 ( -9.557 0.000 4.469) 10.550 12.159 ( -7.667 0.000 -1.361) 7.787 12.410 ( -0.247 0.000 -5.998) 6.003 12.453 ( -0.510 0.000 -3.824) 3.858 12.833 ( 3.635 -0.000 -5.969) 6.989 12.932 ( 0.640 -0.000 -0.005) 0.640 13.030 ( 2.201 -0.000 -1.213) 2.513 13.400 ( 5.563 -0.000 -1.168) 5.684 13.499 ( -1.990 0.000 2.017) 2.833 13.618 ( 2.540 -0.000 5.260) 5.841 13.647 ( 1.035 -0.000 -0.485) 1.143 14.360 ( -19.286 0.000 -21.999) 29.256 14.627 ( 0.663 -0.000 -1.283) 1.444 14.670 ( 0.294 -0.000 -3.761) 3.772 14.972 ( -1.444 0.000 0.857) 1.679 15.085 ( -1.571 0.000 2.921) 3.317 15.176 ( 5.141 -0.000 -1.707) 5.417 15.712 ( -13.239 0.000 -5.579) 14.367 16.219 ( 1.057 -0.000 7.014) 7.093 16.464 ( 1.507 -0.000 2.074) 2.564 16.514 ( 4.841 -0.000 -0.101) 4.842 16.966 ( 2.570 -0.000 -2.176) 3.368 16.993 ( 1.143 -0.000 1.133) 1.609 17.109 ( -2.992 0.000 -2.285) 3.765 17.346 ( 0.407 -0.000 7.234) 7.245 19.724 ( -7.253 0.000 -2.665) 7.727 20.020 ( -0.454 0.000 1.446) 1.516 20.991 ( -2.405 0.000 1.238) 2.705 21.145 ( 1.743 -0.000 -1.568) 2.345 21.928 ( 1.476 -0.000 10.555) 10.657 22.050 ( 3.431 -0.000 -5.266) 6.285 23.240 ( -1.191 0.000 4.501) 4.656 23.375 ( 2.834 -0.000 -2.727) 3.933 26.903 ( -0.224 0.000 -0.012) 0.224 26.910 ( 0.068 -0.000 -0.057) 0.089 29.486 ( -1.742 0.000 -0.418) 1.792 29.508 ( -0.658 0.000 2.352) 2.442 30.339 ( -25.993 0.000 -39.967) 47.676 30.630 ( -1.914 0.000 2.082) 2.828 30.756 ( 2.456 -0.000 -1.843) 3.071 30.896 ( -4.966 0.000 9.378) 10.611 31.385 ( 3.222 -0.000 -1.637) 3.614 31.460 ( 2.144 -0.000 12.529) 12.711 31.895 ( -6.854 0.000 0.522) 6.874 32.055 ( -2.893 0.000 -1.010) 3.064 32.443 ( -4.859 0.000 -5.040) 7.000 32.538 ( -0.273 0.000 2.770) 2.783 33.473 ( -0.493 0.000 1.848) 1.913 33.735 ( 7.267 -0.000 -5.287) 8.987 35.370 ( -2.025 0.000 3.402) 3.958 35.450 ( -0.070 0.000 -2.386) 2.387 35.571 ( -2.165 0.000 2.918) 3.633 35.867 ( 5.987 -0.000 -3.154) 6.766 36.108 ( -3.378 0.000 -0.977) 3.517 36.373 ( -0.021 0.000 1.235) 1.235 37.891 ( 4.851 -0.000 -19.312) 19.912 38.440 ( 17.624 -0.000 28.934) 33.879======================= Grid point 188 (92/114) =======================q-point: (-0.12 -0.25 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.997 ( -12.104 -17.519 17.028) 27.265 1.322 ( -17.234 -21.639 18.762) 33.425 1.766 ( -18.923 -16.432 30.915) 39.798 2.231 ( 9.850 -2.000 -2.473) 10.351 2.396 ( 1.528 -5.841 0.658) 6.074 2.471 ( -7.658 -5.488 14.562) 17.344 2.796 ( -6.129 4.390 1.624) 7.712 2.889 ( -0.484 14.506 -10.912) 18.158 3.357 ( -1.488 0.615 4.179) 4.478 3.416 ( 3.435 -1.324 -8.706) 9.452 3.475 ( 3.736 -1.149 -7.399) 8.368 3.639 ( 1.983 -2.813 -2.695) 4.371 3.771 ( -0.522 1.072 -3.203) 3.418 3.958 ( -1.105 0.851 -2.399) 2.775 4.085 ( 4.605 2.715 -1.901) 5.674 4.465 ( -2.935 3.103 -3.682) 5.639 4.580 ( 4.072 1.571 -3.410) 5.538 4.636 ( 2.084 -1.196 -2.384) 3.385 4.766 ( 0.520 -1.414 -8.549) 8.681 4.892 ( 3.197 -5.279 -5.085) 7.997 5.020 ( 5.351 -2.981 2.958) 6.802 5.330 ( 4.487 6.322 6.359) 10.027 5.368 ( 1.939 3.640 1.378) 4.348 5.494 ( 2.027 2.713 3.835) 5.117 5.529 ( -3.793 -0.687 -1.008) 3.985 5.735 ( 8.326 -4.913 2.378) 9.956 5.888 ( 0.285 2.682 6.600) 7.130 5.932 ( 4.073 0.803 1.672) 4.476 6.256 ( -2.515 5.869 -0.504) 6.405 6.403 ( 0.128 -1.932 0.954) 2.159 7.764 ( -9.879 1.041 -2.106) 10.154 7.980 ( 1.586 4.661 1.012) 5.027 8.158 ( 0.775 0.057 0.169) 0.796 8.282 ( -7.504 3.245 -3.944) 9.077 8.889 ( 1.853 0.444 0.052) 1.906 9.027 ( -0.075 -2.083 6.574) 6.897 9.064 ( 0.101 3.619 1.166) 3.804 9.161 ( 1.361 -2.765 3.253) 4.481 9.356 ( 1.819 2.089 2.713) 3.877 9.478 ( 7.373 -0.114 1.587) 7.542 9.563 ( 1.780 -2.410 1.413) 3.313 9.713 ( -1.669 1.306 -1.115) 2.394 10.089 ( -10.114 5.909 -2.375) 11.952 10.247 ( -1.041 1.434 -4.522) 4.857 10.494 ( -6.935 6.226 6.241) 11.216 10.729 ( 6.710 9.421 -1.802) 11.705 11.201 ( 5.177 -6.683 -1.384) 8.566 11.340 ( -1.779 2.375 -0.132) 2.971 11.448 ( 0.428 0.124 -2.842) 2.877 11.505 ( 2.040 -1.537 6.029) 6.547 11.621 ( -8.942 6.573 2.107) 11.296 11.741 ( 4.034 2.483 12.536) 13.401 12.102 ( -3.066 -0.222 1.482) 3.412 12.411 ( 0.224 2.418 -2.426) 3.433 12.430 ( 4.099 -3.473 0.032) 5.372 12.610 ( -7.295 9.040 -4.386) 12.417 12.863 ( 1.109 2.184 -7.376) 7.772 13.029 ( 1.477 0.850 -2.870) 3.338 13.417 ( 3.227 -0.091 0.969) 3.371 13.550 ( -3.821 -1.791 0.822) 4.299 13.674 ( 0.607 -1.800 -2.034) 2.783 13.742 ( 3.429 -6.410 4.817) 8.721 14.151 ( 0.568 5.336 0.153) 5.368 14.624 ( 0.027 1.709 -0.485) 1.777 14.879 ( -1.345 -11.026 1.183) 11.171 15.180 ( -1.390 -11.910 -0.813) 12.018 15.263 ( 6.154 -7.812 -1.257) 10.024 15.311 ( 12.247 -25.598 -12.032) 30.823 15.652 ( -10.632 -5.432 -2.004) 12.106 16.184 ( -3.278 4.073 2.336) 5.727 16.506 ( 3.376 3.180 -0.998) 4.744 16.602 ( 7.678 -10.727 -2.887) 13.504 16.945 ( 2.820 0.510 -0.941) 3.017 17.060 ( -0.314 -4.070 -1.234) 4.264 17.145 ( -0.356 -4.901 0.652) 4.957 17.387 ( -1.783 -0.941 5.685) 6.032 19.695 ( -5.482 -3.960 -2.031) 7.061 19.965 ( -3.374 2.816 -2.367) 4.992 20.879 ( -2.313 10.101 2.260) 10.606 21.048 ( 1.342 9.625 -2.347) 9.997 22.056 ( 0.557 -6.593 8.942) 11.124 22.154 ( 3.807 -10.335 -4.238) 11.801 23.211 ( -2.053 4.401 3.909) 6.234 23.353 ( 3.201 3.576 -3.579) 5.987 26.990 ( -0.339 -10.119 0.318) 10.130 27.293 ( 11.729 -34.395 -11.120) 38.004 29.209 ( -7.006 19.485 -4.803) 21.256 29.395 ( -1.310 14.512 4.287) 15.189 30.244 ( -4.926 -15.490 -4.915) 16.981 30.715 ( 0.987 -7.643 -1.413) 7.835 30.791 ( 2.210 -3.446 -2.150) 4.624 30.968 ( -6.231 -8.096 7.164) 12.478 31.410 ( 0.105 -2.414 0.106) 2.419 31.621 ( 2.513 -8.477 4.504) 9.923 31.755 ( -4.966 9.073 0.395) 10.350 31.908 ( -2.765 11.043 1.664) 11.505 32.490 ( -3.813 -8.995 1.363) 9.865 32.682 ( -1.525 -11.711 1.554) 11.911 33.457 ( -0.847 2.244 1.555) 2.858 33.727 ( 6.741 3.519 -5.293) 9.265 35.382 ( -1.805 -0.858 2.924) 3.542 35.445 ( 0.450 -0.660 -1.514) 1.712 35.594 ( -2.527 -2.281 4.374) 5.542 35.875 ( 1.821 0.865 -2.858) 3.498 36.157 ( 1.211 -7.262 -2.317) 7.718 36.349 ( -2.837 1.327 -1.559) 3.498 37.793 ( 10.314 6.803 -13.560) 18.346 38.345 ( -1.183 28.816 17.454) 33.710======================= Grid point 196 (93/114) =======================q-point: (-0.12 -0.12 0.33)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 112Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 0.825 ( -5.601 0.000 25.768) 26.370 1.176 ( -11.947 0.000 31.242) 33.449 1.684 ( -14.523 0.000 40.425) 42.955 2.250 ( -13.903 0.000 -4.894) 14.739 2.434 ( 12.885 -0.000 10.607) 16.690 2.455 ( 9.204 -0.000 16.892) 19.237 2.821 ( -5.030 0.000 0.011) 5.030 3.083 ( 2.064 -0.000 -5.598) 5.967 3.239 ( -6.028 0.000 -26.955) 27.621 3.328 ( 1.103 -0.000 -11.604) 11.657 3.390 ( -0.158 0.000 6.243) 6.245 3.621 ( 5.534 -0.000 -3.720) 6.668 3.770 ( 0.549 -0.000 -0.380) 0.668 3.956 ( 0.140 -0.000 2.571) 2.575 4.160 ( 2.945 -0.000 -3.751) 4.769 4.399 ( -3.993 0.000 -9.383) 10.198 4.591 ( 4.152 -0.000 -5.926) 7.236 4.646 ( 1.222 -0.000 2.218) 2.532 4.787 ( 1.913 -0.000 -6.742) 7.008 4.799 ( 3.133 -0.000 3.717) 4.861 5.036 ( 1.408 -0.000 -1.568) 2.108 5.337 ( -9.245 0.000 -3.038) 9.731 5.442 ( 0.222 -0.000 5.844) 5.848 5.480 ( -0.948 0.000 -5.720) 5.798 5.673 ( 9.791 -0.000 8.520) 12.979 5.745 ( 10.487 -0.000 0.149) 10.488 5.979 ( 4.168 -0.000 6.390) 7.629 5.998 ( 3.565 -0.000 3.491) 4.990 6.338 ( -2.423 0.000 1.069) 2.649 6.343 ( -1.542 0.000 0.303) 1.572 7.704 ( -6.186 0.000 0.840) 6.243 8.020 ( -4.153 0.000 -4.020) 5.780 8.103 ( -3.405 0.000 -1.729) 3.818 8.271 ( -6.510 0.000 -2.896) 7.125 8.910 ( 3.778 -0.000 0.583) 3.823 9.043 ( 2.849 -0.000 1.593) 3.264 9.114 ( -3.296 0.000 5.321) 6.259 9.180 ( 2.046 -0.000 2.317) 3.091 9.427 ( 3.505 -0.000 4.887) 6.014 9.514 ( 5.851 -0.000 -1.497) 6.039 9.554 ( 1.876 -0.000 0.737) 2.015 9.764 ( 3.854 -0.000 1.626) 4.183 10.032 ( -12.348 0.000 -3.132) 12.739 10.211 ( -3.441 0.000 -5.627) 6.596 10.530 ( -7.226 0.000 6.022) 9.406 10.844 ( -2.009 0.000 -9.907) 10.109 11.126 ( 5.708 -0.000 -0.929) 5.783 11.367 ( -0.838 0.000 -0.832) 1.181 11.456 ( 2.246 -0.000 -5.242) 5.703 11.529 ( -0.650 0.000 9.703) 9.724 11.603 ( -10.441 0.000 -0.064) 10.442 11.894 ( -0.134 0.000 2.720) 2.723 12.188 ( 14.287 -0.000 13.050) 19.350 12.411 ( 5.625 -0.000 -0.067) 5.626 12.437 ( 1.004 -0.000 -0.723) 1.237 12.623 ( -12.185 0.000 -6.256) 13.697 12.853 ( 0.481 -0.000 -9.418) 9.430 13.007 ( -1.000 0.000 -4.221) 4.338 13.467 ( -0.752 0.000 2.857) 2.955 13.468 ( 4.827 -0.000 -2.290) 5.343 13.674 ( 2.045 -0.000 1.115) 2.329 13.696 ( -3.121 0.000 2.204) 3.821 14.380 ( 27.314 -0.000 13.983) 30.685 14.613 ( 0.468 -0.000 -2.966) 3.003 14.655 ( 2.416 -0.000 -1.791) 3.008 14.944 ( -1.933 0.000 0.225) 1.946 15.112 ( -0.370 0.000 5.168) 5.181 15.253 ( 6.143 -0.000 0.351) 6.153 15.517 ( -7.170 0.000 -0.923) 7.230 16.139 ( -11.298 0.000 -4.082) 12.013 16.569 ( 3.520 -0.000 5.778) 6.766 16.592 ( 4.255 -0.000 1.530) 4.522 16.988 ( 3.026 -0.000 -1.971) 3.612 17.005 ( -1.224 0.000 -0.516) 1.328 17.108 ( 3.497 -0.000 2.580) 4.346 17.389 ( -3.798 0.000 4.707) 6.048 19.613 ( -3.542 0.000 -1.507) 3.850 19.948 ( -6.195 0.000 -5.028) 7.979 20.978 ( -1.408 0.000 1.661) 2.178 21.132 ( -0.106 0.000 -2.808) 2.810 22.042 ( 0.305 -0.000 3.709) 3.722 22.060 ( 4.326 -0.000 -3.594) 5.624 23.249 ( -3.524 0.000 2.793) 4.497 23.383 ( 2.251 -0.000 -3.001) 3.751 26.901 ( 0.021 -0.000 0.132) 0.134 26.910 ( 0.071 -0.000 -0.084) 0.110 29.372 ( -3.599 0.000 -0.222) 3.606 29.529 ( -0.876 0.000 2.903) 3.032 30.204 ( 28.933 -0.000 13.270) 31.831 30.601 ( -4.172 0.000 1.193) 4.340 30.760 ( 1.202 -0.000 -2.580) 2.846 30.868 ( -6.621 0.000 3.531) 7.504 31.379 ( 1.220 -0.000 -4.579) 4.739 31.559 ( -9.041 0.000 10.491) 13.849 31.837 ( -0.639 0.000 1.781) 1.892 32.003 ( -3.465 0.000 0.313) 3.479 32.395 ( -1.500 0.000 4.239) 4.496 32.567 ( -0.465 0.000 3.190) 3.223 33.477 ( -1.485 0.000 1.438) 2.067 33.776 ( 6.223 -0.000 -6.112) 8.723 35.380 ( -1.808 0.000 3.578) 4.008 35.437 ( 1.414 -0.000 -1.559) 2.105 35.576 ( -2.394 0.000 4.169) 4.807 35.899 ( 3.705 -0.000 -4.667) 5.959 36.061 ( -1.267 0.000 -1.081) 1.665 36.322 ( -4.280 0.000 -3.770) 5.703 37.892 ( 16.385 -0.000 -9.614) 18.997 38.651 ( -12.557 0.000 -3.521) 13.042======================= Grid point 197 (94/114) =======================q-point: ( 0.00 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 57Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.650 ( -9.258 0.000 -3.015) 9.736 1.650 ( 9.258 -0.000 3.015) 9.736 2.142 ( -1.734 0.000 -16.165) 16.258 2.142 ( 1.734 -0.000 16.165) 16.258 2.707 ( -2.481 0.000 -16.534) 16.719 2.707 ( 2.481 -0.000 16.534) 16.719 2.796 ( 4.081 -0.000 -2.492) 4.782 2.796 ( -4.081 0.000 2.492) 4.782 3.041 ( -1.125 0.000 -13.910) 13.955 3.041 ( 1.125 -0.000 13.910) 13.955 3.424 ( -3.502 0.000 -0.494) 3.536 3.424 ( 3.502 -0.000 0.494) 3.536 3.949 ( -7.487 0.000 -2.546) 7.908 3.949 ( 7.487 -0.000 2.546) 7.908 4.277 ( 2.751 -0.000 -6.449) 7.011 4.277 ( -2.751 0.000 6.449) 7.011 4.582 ( -6.406 0.000 -6.087) 8.837 4.582 ( 6.406 -0.000 6.087) 8.837 4.812 ( -7.843 0.000 -5.295) 9.463 4.812 ( 7.843 -0.000 5.295) 9.463 5.016 ( -0.168 0.000 -7.722) 7.724 5.016 ( 0.168 -0.000 7.722) 7.724 5.545 ( 3.815 -0.000 -6.524) 7.558 5.545 ( -3.815 0.000 6.524) 7.558 5.909 ( -1.350 0.000 -4.234) 4.444 5.909 ( 1.350 -0.000 4.234) 4.444 5.984 ( -2.140 0.000 -6.049) 6.417 5.984 ( 2.140 -0.000 6.049) 6.417 6.294 ( 2.518 -0.000 -1.619) 2.993 6.294 ( -2.518 0.000 1.619) 2.993 7.814 ( -3.912 0.000 -2.004) 4.395 7.814 ( 3.912 -0.000 2.004) 4.395 8.103 ( -3.259 0.000 -4.928) 5.908 8.103 ( 3.259 -0.000 4.928) 5.908 9.090 ( -3.448 0.000 -3.979) 5.266 9.090 ( 3.448 -0.000 3.979) 5.266 9.160 ( -4.861 0.000 1.148) 4.995 9.160 ( 4.861 -0.000 -1.148) 4.995 9.515 ( -3.526 0.000 0.013) 3.526 9.515 ( 3.526 -0.000 -0.013) 3.526 9.697 ( -14.878 0.000 -3.114) 15.200 9.697 ( 14.878 -0.000 3.114) 15.200 9.981 ( -6.777 0.000 -4.228) 7.988 9.981 ( 6.777 -0.000 4.228) 7.988 10.586 ( 5.625 -0.000 -4.434) 7.163 10.586 ( -5.625 0.000 4.434) 7.163 11.236 ( -6.995 0.000 -2.480) 7.422 11.236 ( 6.995 -0.000 2.480) 7.422 11.410 ( -10.134 0.000 1.240) 10.210 11.410 ( 10.134 -0.000 -1.240) 10.210 11.801 ( -3.059 0.000 -4.085) 5.104 11.801 ( 3.059 -0.000 4.085) 5.104 12.548 ( 2.906 -0.000 -1.092) 3.105 12.548 ( -2.906 0.000 1.092) 3.105 12.561 ( 0.046 -0.000 -6.541) 6.542 12.561 ( -0.046 0.000 6.541) 6.542 12.763 ( -3.626 0.000 -6.824) 7.728 12.763 ( 3.626 -0.000 6.824) 7.728 13.452 ( -0.394 0.000 -0.365) 0.537 13.452 ( 0.394 -0.000 0.365) 0.537 13.724 ( 2.348 -0.000 -1.721) 2.911 13.724 ( -2.348 0.000 1.721) 2.911 14.563 ( 0.323 -0.000 -1.140) 1.185 14.563 ( -0.323 0.000 1.140) 1.185 14.942 ( -3.787 0.000 -0.461) 3.815 14.942 ( 3.787 -0.000 0.461) 3.815 15.282 ( -1.284 0.000 -3.855) 4.063 15.282 ( 1.284 -0.000 3.855) 4.063 15.697 ( -21.477 0.000 -5.703) 22.221 15.697 ( 21.477 -0.000 5.703) 22.221 16.679 ( -1.509 0.000 0.351) 1.549 16.679 ( 1.509 -0.000 -0.351) 1.549 16.977 ( 1.943 -0.000 -0.997) 2.184 16.977 ( -1.943 0.000 0.997) 2.184 17.319 ( -7.487 0.000 -2.845) 8.009 17.319 ( 7.487 -0.000 2.845) 8.009 19.652 ( -4.588 0.000 -4.309) 6.294 19.652 ( 4.588 -0.000 4.309) 6.294 21.038 ( 0.013 -0.000 -2.619) 2.619 21.038 ( -0.013 0.000 2.619) 2.619 22.052 ( 5.639 -0.000 -2.016) 5.989 22.052 ( -5.639 0.000 2.016) 5.989 23.302 ( 2.423 -0.000 -3.702) 4.424 23.302 ( -2.423 0.000 3.702) 4.424 26.907 ( 0.022 -0.000 -0.160) 0.162 26.907 ( -0.022 0.000 0.160) 0.162 29.510 ( -4.139 0.000 -2.642) 4.910 29.510 ( 4.139 -0.000 2.642) 4.910 30.634 ( 4.136 -0.000 -5.179) 6.628 30.634 ( -4.136 0.000 5.179) 6.628 30.843 ( -14.864 0.000 4.221) 15.452 30.843 ( 14.864 -0.000 -4.221) 15.452 31.467 ( -22.330 0.000 0.542) 22.337 31.467 ( 22.330 -0.000 -0.542) 22.337 31.945 ( -3.631 0.000 -1.181) 3.818 31.945 ( 3.631 -0.000 1.181) 3.818 32.575 ( -2.390 0.000 -3.016) 3.848 32.575 ( 2.390 -0.000 3.016) 3.848 33.591 ( 4.470 -0.000 -8.760) 9.834 33.591 ( -4.470 0.000 8.760) 9.834 35.442 ( 2.698 -0.000 -1.473) 3.074 35.442 ( -2.698 0.000 1.473) 3.074 35.732 ( 1.531 -0.000 -6.988) 7.154 35.732 ( -1.531 0.000 6.988) 7.154 36.089 ( -1.872 0.000 -3.923) 4.347 36.089 ( 1.872 -0.000 3.923) 4.347 38.132 ( -30.329 0.000 -0.274) 30.330 38.132 ( 30.329 -0.000 0.274) 30.330======================= Grid point 199 (95/114) =======================q-point: ( 0.12 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.590 ( -0.039 -6.345 -15.868) 17.089 1.730 ( 9.737 -2.213 -5.362) 11.334 2.067 ( 8.306 4.251 -6.419) 11.325 2.155 ( -0.371 8.622 16.929) 19.001 2.648 ( -8.211 -6.480 -2.667) 10.795 2.717 ( 0.876 -1.861 -9.323) 9.548 2.803 ( 7.206 -2.272 -12.417) 14.535 2.944 ( -0.823 -6.015 7.864) 9.935 3.175 ( -3.371 -14.270 4.317) 15.285 3.226 ( 0.652 -14.227 0.434) 14.249 3.419 ( -2.988 -2.287 3.340) 5.031 3.463 ( 2.746 -1.007 3.507) 4.567 3.837 ( -6.867 4.437 -2.468) 8.540 3.958 ( 2.620 5.920 2.725) 7.024 4.172 ( -2.338 4.607 -9.248) 10.593 4.285 ( -0.084 -0.049 2.094) 2.096 4.532 ( -3.815 -0.759 -1.074) 4.035 4.649 ( 5.138 1.941 3.817) 6.688 4.722 ( -8.701 0.096 -3.368) 9.330 4.885 ( 4.350 1.422 2.491) 5.211 4.956 ( 1.463 0.064 -1.304) 1.961 5.005 ( -0.175 4.706 8.126) 9.392 5.541 ( -5.133 0.292 0.677) 5.186 5.579 ( 1.618 -3.189 -2.384) 4.297 5.787 ( -3.576 3.904 -6.988) 8.766 5.911 ( 2.249 2.129 4.102) 5.140 5.961 ( -2.376 0.683 -1.700) 3.001 5.994 ( 0.726 5.130 0.934) 5.264 6.234 ( -2.463 3.679 -0.657) 4.476 6.320 ( 4.324 0.631 3.239) 5.439 7.786 ( -2.448 -0.507 -2.838) 3.782 7.880 ( 6.431 -1.284 2.496) 7.017 8.063 ( -0.927 0.020 -2.555) 2.718 8.148 ( 3.687 1.269 3.580) 5.293 8.970 ( -4.820 5.148 -3.478) 7.863 9.035 ( -2.172 6.017 2.697) 6.942 9.149 ( 1.750 1.567 -0.046) 2.350 9.189 ( 6.544 1.231 -0.742) 6.700 9.504 ( -4.833 -0.734 0.295) 4.898 9.558 ( 3.291 0.567 -1.460) 3.645 9.596 ( -9.014 -2.542 0.650) 9.389 9.782 ( 7.623 3.694 -0.824) 8.511 9.954 ( -2.867 -4.059 -2.325) 5.487 10.083 ( 4.391 -3.682 3.559) 6.746 10.547 ( -2.303 4.007 5.861) 7.464 10.569 ( 7.053 4.644 -4.405) 9.524 11.181 ( -6.384 -0.898 0.139) 6.448 11.302 ( 4.990 -0.649 3.130) 5.926 11.342 ( -3.681 1.187 1.079) 4.015 11.450 ( 10.878 3.850 -0.711) 11.562 11.771 ( -3.475 -1.880 -4.289) 5.831 11.860 ( 3.858 -1.276 1.855) 4.467 12.438 ( -5.716 5.913 -0.561) 8.243 12.446 ( -1.636 6.066 -7.439) 9.737 12.501 ( -1.487 4.219 -2.411) 5.081 12.573 ( 2.227 3.545 4.457) 6.115 12.737 ( -3.775 -3.628 -4.770) 7.083 12.843 ( 1.604 -1.411 6.456) 6.801 13.435 ( -4.825 0.559 2.280) 5.365 13.492 ( 4.662 -1.540 -0.692) 4.958 13.738 ( -2.687 -2.626 -2.273) 4.391 13.784 ( 0.736 -6.649 0.575) 6.715 14.489 ( -6.378 6.565 -2.774) 9.564 14.570 ( 2.873 1.180 0.879) 3.228 14.973 ( -3.024 -8.105 -3.301) 9.259 15.039 ( 1.019 -9.298 3.601) 10.023 15.322 ( -5.608 -7.470 -1.161) 9.413 15.408 ( 0.912 -9.532 -0.214) 9.578 15.592 ( -12.932 -7.438 -3.067) 15.231 15.918 ( 17.477 -3.337 4.405) 18.330 16.612 ( -2.635 4.331 -2.344) 5.585 16.642 ( -1.619 3.452 1.245) 4.011 16.968 ( -2.414 -0.444 0.492) 2.503 17.001 ( 2.425 -1.663 0.028) 2.940 17.285 ( -6.147 -3.569 -2.958) 7.699 17.404 ( 5.640 -1.657 1.419) 6.047 19.640 ( -0.005 -3.488 -2.449) 4.262 19.727 ( 5.695 -0.651 4.729) 7.431 20.946 ( 0.962 8.162 -2.908) 8.718 20.968 ( -0.567 8.729 3.006) 9.249 22.118 ( -5.716 -10.000 2.271) 11.740 22.175 ( 4.335 -9.494 -1.899) 10.608 23.258 ( 1.323 5.007 -0.801) 5.240 23.260 ( 0.021 4.798 1.347) 4.984 27.022 ( -0.449 -12.462 -2.018) 12.632 27.061 ( 0.285 -16.203 4.005) 16.693 29.280 ( -6.438 17.309 -3.562) 18.808 29.412 ( 6.601 14.919 0.982) 16.343 30.647 ( -6.913 -6.138 -4.992) 10.507 30.712 ( -1.398 -5.479 4.011) 6.933 30.798 ( -16.300 -7.341 0.278) 17.879 31.000 ( 8.571 -9.753 -1.419) 13.062 31.357 ( -11.299 -1.682 -0.266) 11.426 31.642 ( 23.242 1.164 -4.787) 23.758 31.843 ( -4.345 6.419 -0.915) 7.805 31.925 ( 7.356 4.673 -1.869) 8.913 32.611 ( -0.960 -7.245 -4.479) 8.571 32.684 ( 4.011 -7.397 1.265) 8.509 33.558 ( 3.111 2.035 -7.203) 8.106 33.586 ( -4.596 2.107 7.969) 9.437 35.430 ( -2.628 -0.455 0.503) 2.714 35.454 ( 1.798 -0.505 -1.571) 2.440 35.736 ( 2.440 -2.847 -5.952) 7.035 35.772 ( -1.744 -1.183 5.713) 6.089 36.093 ( -1.673 -3.675 0.403) 4.058 36.145 ( 2.721 -1.446 3.884) 4.958 37.824 ( -29.192 8.798 4.774) 30.860 38.230 ( 25.498 13.760 0.041) 28.974======================= Grid point 200 (96/114) =======================q-point: ( 0.25 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.725 ( 5.082 -12.342 -15.813) 20.693 1.830 ( 4.305 -6.929 0.938) 8.212 1.999 ( 6.473 3.395 -4.677) 8.677 2.214 ( 8.260 -3.151 8.520) 12.278 2.620 ( -2.220 1.342 -6.939) 7.408 2.776 ( -1.482 -11.688 -9.681) 15.249 2.864 ( 1.600 -3.139 -1.772) 3.944 3.155 ( -0.334 -16.450 -4.990) 17.194 3.249 ( -0.216 0.636 0.435) 0.800 3.385 ( -9.229 -0.866 0.160) 9.271 3.482 ( -0.100 -3.768 2.956) 4.790 3.621 ( 1.633 -4.865 3.951) 6.476 3.707 ( -0.566 2.611 -2.433) 3.614 3.834 ( -2.927 4.572 1.621) 5.666 4.073 ( 2.186 3.555 -0.500) 4.204 4.277 ( -0.188 1.902 -3.076) 3.621 4.477 ( -3.608 2.181 1.874) 4.614 4.634 ( -6.816 2.931 -0.927) 7.477 4.687 ( 1.749 -2.346 3.317) 4.423 4.837 ( -0.539 2.508 -2.504) 3.585 4.979 ( 1.732 3.879 8.606) 9.598 5.101 ( 5.588 -7.149 6.537) 11.183 5.421 ( -9.788 6.089 0.040) 11.527 5.610 ( 1.540 0.726 -5.427) 5.688 5.689 ( -3.924 0.697 -3.565) 5.347 5.849 ( 1.836 9.310 0.939) 9.536 5.903 ( -0.357 1.886 0.573) 2.003 5.934 ( 2.839 -1.166 -2.932) 4.245 6.169 ( -2.571 0.694 -0.978) 2.837 6.345 ( 1.327 2.081 4.936) 5.518 7.757 ( -1.744 -0.030 -3.109) 3.565 7.919 ( 3.030 2.723 -1.547) 4.358 8.094 ( -0.849 -2.213 3.859) 4.529 8.155 ( 5.694 0.293 0.564) 5.730 8.874 ( -1.087 2.080 0.120) 2.350 8.940 ( -1.003 3.893 3.738) 5.489 9.122 ( 3.305 3.054 -1.200) 4.657 9.191 ( 4.895 3.599 0.786) 6.126 9.448 ( -5.702 1.739 -0.530) 5.985 9.523 ( -1.482 2.692 1.747) 3.535 9.620 ( -0.588 0.581 -4.857) 4.927 9.725 ( 1.306 -1.166 -3.091) 3.553 9.994 ( -0.236 -0.549 -1.567) 1.677 10.193 ( -0.043 -4.440 2.116) 4.919 10.458 ( -0.202 7.840 2.638) 8.274 10.488 ( 5.303 7.142 -2.889) 9.353 11.186 ( -1.618 -2.128 2.480) 3.646 11.334 ( -1.520 -1.048 2.788) 3.344 11.382 ( 5.604 -1.734 2.449) 6.357 11.443 ( 7.499 3.460 -2.345) 8.585 11.749 ( -4.181 -0.644 -4.455) 6.143 11.910 ( 3.566 -1.082 -2.583) 4.535 12.284 ( -4.597 1.353 -7.573) 8.962 12.322 ( -2.671 3.523 1.538) 4.680 12.413 ( -0.353 3.387 -0.106) 3.407 12.534 ( 1.282 4.029 2.868) 5.109 12.739 ( -2.710 -0.307 -2.287) 3.559 12.890 ( -0.522 0.864 5.497) 5.589 13.410 ( -3.878 -0.843 3.393) 5.221 13.551 ( 6.533 -0.953 -0.056) 6.603 13.737 ( -6.981 -3.624 -3.941) 8.798 13.945 ( 1.594 -8.245 -0.766) 8.433 14.258 ( -9.036 7.378 -7.336) 13.780 14.565 ( 4.730 3.258 2.391) 6.221 15.097 ( -1.952 -7.272 -2.566) 7.954 15.246 ( 3.137 -9.213 4.741) 10.826 15.414 ( -5.168 -5.014 0.397) 7.212 15.538 ( -7.284 -9.676 -1.136) 12.164 15.738 ( 2.043 -10.433 1.818) 10.785 16.081 ( 10.348 -0.686 0.710) 10.395 16.484 ( -4.505 5.040 -3.978) 7.844 16.622 ( -4.746 -3.335 7.477) 9.464 16.967 ( -2.123 -1.342 -0.218) 2.522 17.081 ( 3.708 -4.053 0.953) 5.576 17.296 ( -3.944 -3.256 -2.324) 5.618 17.462 ( 3.242 -0.763 -0.396) 3.354 19.753 ( 3.839 -8.251 -1.176) 9.176 19.816 ( 3.486 -3.192 3.963) 6.168 20.763 ( 1.395 10.910 -3.118) 11.432 20.784 ( -1.566 12.189 2.447) 12.530 22.307 ( -4.869 -13.580 2.573) 14.654 22.379 ( 2.230 -11.358 -3.290) 12.034 23.138 ( -2.003 8.549 3.243) 9.360 23.170 ( 3.910 7.054 -1.460) 8.196 27.282 ( -0.766 -18.601 -3.519) 18.946 27.491 ( -0.510 -25.040 12.232) 27.873 28.856 ( -5.081 21.775 -3.207) 22.589 29.140 ( 7.915 20.529 -1.944) 22.087 30.700 ( -7.591 -10.116 -6.972) 14.442 30.810 ( -2.339 -6.049 2.012) 6.791 30.870 ( -9.929 -10.640 0.508) 14.562 31.220 ( -2.427 -7.580 -0.246) 7.963 31.351 ( 1.074 -2.415 5.131) 5.772 31.624 ( 7.915 9.379 -3.989) 12.904 31.681 ( -4.871 6.815 0.021) 8.376 31.951 ( 16.876 0.353 -9.658) 19.448 32.744 ( 1.074 -9.873 -4.097) 10.744 32.876 ( 4.221 -9.173 1.110) 10.158 33.484 ( -0.258 4.239 -3.521) 5.517 33.535 ( -3.203 4.063 4.186) 6.656 35.428 ( -1.803 -1.081 0.021) 2.102 35.473 ( 0.863 -1.361 -1.252) 2.041 35.779 ( 1.181 -1.807 -2.691) 3.450 35.812 ( 1.359 -2.188 1.538) 3.000 36.197 ( -3.109 -7.213 6.212) 10.014 36.219 ( 3.484 -2.960 0.649) 4.618 37.484 ( -23.594 10.293 9.166) 27.324 38.050 ( 17.985 21.501 -6.011) 28.669======================= Grid point 201 (97/114) =======================q-point: ( 0.38 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.794 ( -0.986 -4.917 -9.795) 11.004 2.018 ( 6.284 -2.836 -5.847) 9.040 2.096 ( 5.370 -11.715 0.773) 12.911 2.416 ( 6.631 -6.686 7.922) 12.306 2.563 ( -2.543 -0.056 -1.706) 3.063 2.874 ( -4.343 -1.165 -0.771) 4.562 2.918 ( 2.147 -5.217 -6.662) 8.730 3.207 ( -7.793 1.358 -1.017) 7.975 3.297 ( 4.234 -0.679 -1.115) 4.431 3.417 ( 0.763 -9.673 -2.983) 10.151 3.563 ( 1.468 -6.605 -5.531) 8.739 3.597 ( -1.519 4.396 -1.365) 4.847 3.673 ( 3.034 -0.877 4.421) 5.434 3.800 ( -1.681 4.612 -0.605) 4.946 4.042 ( 1.310 3.810 5.403) 6.740 4.193 ( -1.844 1.961 -4.272) 5.049 4.467 ( -9.917 3.167 -2.819) 10.785 4.525 ( -1.484 -2.284 4.825) 5.541 4.711 ( 4.204 4.314 -0.111) 6.025 4.806 ( -0.834 -0.270 -1.743) 1.951 4.986 ( 3.774 2.840 10.213) 11.252 5.192 ( -9.181 2.502 -2.143) 9.754 5.270 ( 1.717 2.953 2.279) 4.106 5.563 ( 0.383 0.250 0.569) 0.730 5.642 ( -1.876 1.555 -3.870) 4.573 5.770 ( 0.576 1.031 3.620) 3.808 5.919 ( 1.534 -2.368 -2.400) 3.704 5.982 ( 3.468 -2.894 -2.356) 5.094 6.158 ( -0.727 -2.238 -2.743) 3.614 6.313 ( -1.788 4.646 5.834) 7.669 7.732 ( -0.298 0.281 -1.935) 1.978 7.868 ( -0.206 1.899 -1.448) 2.397 8.072 ( -3.151 0.956 0.502) 3.331 8.287 ( 6.982 -3.860 3.117) 8.565 8.854 ( 0.632 0.700 2.966) 3.112 8.930 ( 0.340 0.666 1.167) 1.386 9.082 ( 2.920 2.814 -1.201) 4.229 9.170 ( 2.112 1.963 1.930) 3.470 9.372 ( -2.066 2.861 0.559) 3.573 9.423 ( -1.812 5.218 -2.868) 6.224 9.607 ( 1.599 -3.857 -3.131) 5.218 9.806 ( 1.080 -4.777 -0.063) 4.898 9.924 ( -3.315 5.728 -1.721) 6.839 10.245 ( -3.733 -2.096 0.147) 4.284 10.333 ( 1.190 6.493 1.094) 6.691 10.379 ( 2.587 5.572 -2.889) 6.788 11.233 ( 0.499 -1.673 1.211) 2.125 11.365 ( 0.653 0.362 3.517) 3.596 11.432 ( 4.986 -0.305 -2.776) 5.715 11.469 ( 2.470 -2.377 2.554) 4.275 11.665 ( -3.035 3.376 -5.183) 6.890 11.888 ( -2.751 0.697 -5.835) 6.488 12.289 ( -1.520 -2.582 -0.229) 3.005 12.310 ( 1.790 -2.839 1.373) 3.626 12.379 ( 0.752 1.478 1.624) 2.321 12.507 ( 0.580 -0.310 1.993) 2.099 12.685 ( -1.951 2.062 -1.526) 3.223 12.836 ( -0.693 7.406 2.618) 7.886 13.477 ( 0.169 -4.975 6.037) 7.825 13.613 ( 0.653 -2.765 -2.687) 3.911 13.736 ( -2.614 -2.782 -1.900) 4.264 13.945 ( -3.682 7.993 -1.251) 8.889 14.135 ( -1.364 -4.051 -7.824) 8.915 14.580 ( 3.327 0.236 3.587) 4.898 15.160 ( -3.474 -5.109 -2.724) 6.752 15.369 ( -0.487 5.577 -0.468) 5.618 15.464 ( 1.627 -7.580 6.110) 9.871 15.659 ( -4.821 -8.163 -0.489) 9.493 15.872 ( 5.028 -0.147 2.731) 5.724 16.196 ( 6.365 -8.054 -4.188) 11.087 16.314 ( -5.741 6.824 -4.226) 9.869 16.712 ( -4.793 -2.110 9.671) 10.998 16.978 ( -1.264 -1.318 -0.303) 1.852 17.183 ( 2.544 -3.443 0.850) 4.364 17.309 ( -1.665 -1.558 -1.131) 2.546 17.491 ( 1.520 -1.115 -0.669) 2.000 19.930 ( 1.741 -6.841 2.365) 7.444 19.968 ( 4.031 -10.088 0.241) 10.866 20.551 ( -3.049 12.152 2.203) 12.721 20.573 ( 1.609 9.829 -3.506) 10.559 22.531 ( -2.950 -12.702 1.855) 13.171 22.567 ( 0.840 -10.965 -3.482) 11.535 22.972 ( -1.599 10.200 2.502) 10.623 23.048 ( 2.558 8.672 -0.651) 9.064 27.617 ( -0.138 -21.373 -2.670) 21.540 27.995 ( -4.658 -23.860 13.675) 27.893 28.424 ( -1.430 22.458 -0.882) 22.521 28.812 ( 8.114 20.652 -5.332) 22.820 30.809 ( -2.969 -9.650 -3.863) 10.810 30.924 ( -4.133 -7.393 2.524) 8.837 30.995 ( -4.756 -9.291 -0.500) 10.449 31.217 ( -0.761 1.388 -2.476) 2.939 31.377 ( 2.266 6.531 2.145) 7.237 31.448 ( -1.181 10.702 -2.456) 11.044 31.669 ( -1.225 -6.089 6.093) 8.701 31.992 ( 11.822 1.471 -10.267) 15.727 32.912 ( 2.174 -9.032 -2.637) 9.657 33.066 ( 4.301 -7.684 0.980) 8.860 33.365 ( -4.783 5.992 0.834) 7.712 33.449 ( -0.637 4.767 -0.396) 4.826 35.439 ( -0.755 -1.018 0.079) 1.270 35.497 ( 0.272 -1.340 -0.786) 1.577 35.790 ( -0.005 -0.583 -0.812) 1.000 35.872 ( 2.570 -1.363 0.561) 2.963 36.306 ( 5.378 -3.974 -3.225) 7.424 36.337 ( -5.296 -6.278 7.278) 10.974 37.234 ( -14.995 6.483 9.578) 18.937 37.754 ( 10.585 17.013 -8.840) 21.901======================= Grid point 202 (98/114) =======================q-point: ( 0.50 0.00 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 98Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.807 ( -0.000 0.000 0.000) 0.000 2.073 ( -0.000 0.000 0.000) 0.000 2.210 ( 0.000 -0.000 -0.000) 0.000 2.521 ( -0.000 0.000 0.000) 0.000 2.621 ( -0.000 -0.000 0.000) 0.000 2.790 ( -0.000 0.000 0.000) 0.000 2.973 ( -0.000 0.000 0.000) 0.000 3.151 ( -0.000 0.000 0.000) 0.000 3.405 ( -0.000 -0.000 0.000) 0.000 3.466 ( 0.000 -0.000 0.000) 0.000 3.471 ( -0.000 0.000 -0.000) 0.000 3.691 ( 0.000 -0.000 0.000) 0.000 3.698 ( -0.000 0.000 0.000) 0.000 3.732 ( -0.000 0.000 -0.000) 0.000 4.031 ( -0.000 0.000 0.000) 0.000 4.158 ( -0.000 0.000 0.000) 0.000 4.331 ( -0.000 0.000 -0.000) 0.000 4.629 ( 0.000 0.000 0.000) 0.000 4.638 ( -0.000 -0.000 0.000) 0.000 4.788 ( -0.000 0.000 0.000) 0.000 5.053 ( -0.000 0.000 -0.000) 0.000 5.065 ( 0.000 0.000 0.000) 0.000 5.253 ( -0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 -0.000) 0.000 5.597 ( -0.000 -0.000 0.000) 0.000 5.788 ( -0.000 0.000 0.000) 0.000 5.948 ( -0.000 0.000 0.000) 0.000 6.017 ( -0.000 0.000 -0.000) 0.000 6.210 ( 0.000 -0.000 -0.000) 0.000 6.240 ( -0.000 0.000 0.000) 0.000 7.722 ( -0.000 0.000 0.000) 0.000 7.847 ( -0.000 0.000 0.000) 0.000 8.052 ( -0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.890 ( -0.000 0.000 -0.000) 0.000 8.894 ( -0.000 -0.000 0.000) 0.000 9.070 ( -0.000 0.000 0.000) 0.000 9.170 ( -0.000 -0.000 0.000) 0.000 9.338 ( -0.000 -0.000 -0.000) 0.000 9.354 ( 0.000 0.000 0.000) 0.000 9.711 ( -0.000 0.000 0.000) 0.000 9.768 ( 0.000 -0.000 0.000) 0.000 9.867 ( -0.000 0.000 0.000) 0.000 10.243 ( 0.000 0.000 0.000) 0.000 10.271 ( -0.000 -0.000 -0.000) 0.000 10.337 ( -0.000 0.000 0.000) 0.000 11.254 ( -0.000 0.000 0.000) 0.000 11.366 ( 0.000 0.000 -0.000) 0.000 11.468 ( 0.000 0.000 0.000) 0.000 11.539 ( -0.000 0.000 0.000) 0.000 11.564 ( -0.000 0.000 0.000) 0.000 11.844 ( -0.000 -0.000 0.000) 0.000 12.322 ( -0.000 -0.000 -0.000) 0.000 12.331 ( 0.000 0.000 0.000) 0.000 12.373 ( -0.000 0.000 -0.000) 0.000 12.580 ( -0.000 0.000 0.000) 0.000 12.683 ( -0.000 -0.000 -0.000) 0.000 12.690 ( -0.000 0.000 0.000) 0.000 13.591 ( 0.000 -0.000 0.000) 0.000 13.610 ( -0.000 0.000 -0.000) 0.000 13.770 ( 0.000 -0.000 0.000) 0.000 13.798 ( -0.000 0.000 0.000) 0.000 14.149 ( -0.000 0.000 0.000) 0.000 14.613 ( -0.000 0.000 0.000) 0.000 15.199 ( -0.000 0.000 0.000) 0.000 15.290 ( 0.000 -0.000 -0.000) 0.000 15.552 ( -0.000 0.000 0.000) 0.000 15.705 ( 0.000 0.000 0.000) 0.000 15.942 ( -0.000 0.000 -0.000) 0.000 16.161 ( 0.000 0.000 0.000) 0.000 16.320 ( -0.000 0.000 0.000) 0.000 16.721 ( 0.000 -0.000 0.000) 0.000 16.985 ( 0.000 0.000 0.000) 0.000 17.229 ( -0.000 0.000 0.000) 0.000 17.312 ( -0.000 0.000 0.000) 0.000 17.509 ( -0.000 0.000 0.000) 0.000 20.022 ( -0.000 0.000 0.000) 0.000 20.126 ( -0.000 0.000 0.000) 0.000 20.388 ( 0.000 -0.000 0.000) 0.000 20.464 ( -0.000 0.000 0.000) 0.000 22.660 ( 0.000 0.000 0.000) 0.000 22.726 ( -0.000 -0.000 0.000) 0.000 22.820 ( 0.000 0.000 0.000) 0.000 22.948 ( 0.000 0.000 0.000) 0.000 27.997 ( -0.000 0.000 0.000) 0.000 28.001 ( 0.000 -0.000 -0.000) 0.000 28.365 ( -0.000 -0.000 0.000) 0.000 28.528 ( -0.000 0.000 -0.000) 0.000 30.902 ( -0.000 0.000 0.000) 0.000 30.979 ( -0.000 0.000 0.000) 0.000 31.078 ( 0.000 0.000 -0.000) 0.000 31.238 ( -0.000 -0.000 0.000) 0.000 31.259 ( -0.000 0.000 0.000) 0.000 31.314 ( -0.000 0.000 0.000) 0.000 31.761 ( -0.000 0.000 -0.000) 0.000 31.984 ( -0.000 0.000 0.000) 0.000 33.014 ( -0.000 0.000 0.000) 0.000 33.210 ( 0.000 -0.000 -0.000) 0.000 33.232 ( -0.000 0.000 0.000) 0.000 33.388 ( -0.000 0.000 0.000) 0.000 35.446 ( 0.000 0.000 0.000) 0.000 35.509 ( -0.000 0.000 -0.000) 0.000 35.793 ( -0.000 0.000 0.000) 0.000 35.895 ( -0.000 0.000 0.000) 0.000 36.374 ( -0.000 0.000 0.000) 0.000 36.386 ( 0.000 -0.000 -0.000) 0.000 37.148 ( -0.000 0.000 0.000) 0.000 37.600 ( -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): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.392 ( 1.748 -0.000 -25.920) 25.979 1.736 ( 17.160 -0.000 -20.466) 26.709 2.156 ( 7.684 -0.000 3.652) 8.507 2.361 ( 0.561 -0.000 -11.360) 11.374 2.595 ( 5.975 -0.000 13.507) 14.769 2.716 ( -3.824 0.000 -4.511) 5.913 2.762 ( -4.635 0.000 -12.368) 13.208 2.876 ( 4.805 -0.000 -4.492) 6.578 2.902 ( 0.960 -0.000 10.529) 10.572 3.143 ( -0.692 0.000 6.590) 6.626 3.408 ( -1.038 0.000 3.673) 3.817 3.493 ( -0.722 0.000 5.755) 5.800 3.813 ( -6.143 0.000 -2.088) 6.488 4.050 ( -0.830 0.000 2.796) 2.916 4.156 ( -1.564 0.000 -12.011) 12.112 4.241 ( -3.828 0.000 3.716) 5.335 4.494 ( -3.926 0.000 2.093) 4.449 4.643 ( -7.477 0.000 -1.074) 7.554 4.747 ( 4.453 -0.000 1.414) 4.673 4.904 ( -3.596 0.000 -5.689) 6.731 4.965 ( 4.092 -0.000 3.936) 5.678 5.123 ( 2.013 -0.000 13.868) 14.013 5.523 ( -5.413 0.000 1.560) 5.633 5.525 ( 2.780 -0.000 -6.320) 6.904 5.789 ( -9.568 0.000 -2.768) 9.961 5.809 ( -6.440 0.000 -7.403) 9.812 6.002 ( 0.184 -0.000 3.747) 3.751 6.047 ( 1.358 -0.000 -0.759) 1.555 6.320 ( 1.894 -0.000 2.644) 3.253 6.344 ( 3.426 -0.000 0.187) 3.431 7.760 ( 1.536 -0.000 -3.678) 3.986 7.929 ( 6.067 -0.000 3.814) 7.166 8.066 ( 2.468 -0.000 0.528) 2.524 8.224 ( 5.263 -0.000 3.233) 6.177 8.958 ( -6.051 0.000 -3.963) 7.233 9.050 ( -5.345 0.000 0.407) 5.360 9.206 ( 3.574 -0.000 0.283) 3.585 9.223 ( 5.538 -0.000 -4.292) 7.007 9.460 ( -12.423 0.000 0.242) 12.425 9.482 ( -3.505 0.000 1.070) 3.664 9.600 ( 6.679 -0.000 -1.550) 6.856 9.806 ( -4.041 0.000 -3.467) 5.324 9.979 ( 11.437 -0.000 3.320) 11.909 10.105 ( 3.586 -0.000 3.951) 5.335 10.623 ( 1.536 -0.000 9.072) 9.201 10.647 ( 7.836 -0.000 -4.575) 9.074 11.116 ( -5.970 0.000 -0.539) 5.994 11.302 ( -7.010 0.000 6.121) 9.307 11.386 ( 6.785 -0.000 0.203) 6.788 11.598 ( 13.203 -0.000 0.185) 13.204 11.706 ( -0.739 0.000 -5.822) 5.868 11.888 ( 4.071 -0.000 2.182) 4.619 12.438 ( -8.364 0.000 -2.122) 8.629 12.440 ( -9.712 0.000 -9.118) 13.321 12.489 ( 0.160 -0.000 -6.470) 6.472 12.615 ( -6.566 0.000 0.324) 6.574 12.679 ( 6.039 -0.000 2.461) 6.522 12.886 ( 1.753 -0.000 6.849) 7.070 13.433 ( -2.754 0.000 0.760) 2.857 13.469 ( 0.816 -0.000 1.575) 1.773 13.692 ( -3.237 0.000 0.200) 3.243 13.738 ( 2.301 -0.000 -1.568) 2.784 14.558 ( -5.351 0.000 -0.556) 5.379 14.566 ( 0.564 -0.000 0.658) 0.867 14.704 ( -18.540 0.000 -8.140) 20.249 14.952 ( 0.336 -0.000 -0.480) 0.586 15.225 ( 0.446 -0.000 -5.011) 5.031 15.259 ( -8.751 0.000 0.059) 8.751 15.500 ( 5.065 -0.000 0.357) 5.078 16.048 ( 15.696 -0.000 4.050) 16.210 16.626 ( -4.468 0.000 -1.271) 4.645 16.656 ( -2.457 0.000 -2.483) 3.493 16.956 ( -2.511 0.000 1.252) 2.806 16.997 ( 1.491 -0.000 -0.013) 1.491 17.173 ( -6.367 0.000 -3.168) 7.112 17.438 ( 5.122 -0.000 0.281) 5.130 19.605 ( 2.218 -0.000 -1.144) 2.496 19.821 ( 8.614 -0.000 6.087) 10.547 21.019 ( 1.031 -0.000 -2.096) 2.335 21.071 ( 0.111 -0.000 2.870) 2.872 21.989 ( -6.123 0.000 3.022) 6.828 22.101 ( 3.333 -0.000 -2.296) 4.047 23.311 ( 3.863 -0.000 -3.136) 4.975 23.311 ( -2.014 0.000 3.560) 4.090 26.904 ( -0.109 0.000 -0.162) 0.195 26.908 ( -0.130 0.000 0.165) 0.210 29.416 ( -2.280 0.000 -3.315) 4.023 29.575 ( 2.846 -0.000 -0.876) 2.977 30.406 ( -27.117 0.000 -4.296) 27.455 30.620 ( 0.208 -0.000 -1.406) 1.421 30.704 ( -2.460 0.000 1.958) 3.144 30.944 ( 7.356 -0.000 -4.018) 8.382 31.296 ( -3.368 0.000 2.507) 4.199 31.797 ( 22.850 -0.000 -10.873) 25.305 31.880 ( -0.470 0.000 -2.042) 2.096 32.009 ( 3.850 -0.000 0.012) 3.851 32.508 ( 0.058 -0.000 -5.502) 5.502 32.643 ( 6.547 -0.000 -3.449) 7.400 33.560 ( 3.250 -0.000 -7.034) 7.749 33.612 ( -5.945 0.000 8.777) 10.601 35.409 ( -2.984 0.000 1.110) 3.184 35.452 ( 1.993 -0.000 -2.799) 3.435 35.687 ( 2.170 -0.000 -5.978) 6.360 35.781 ( -2.645 0.000 6.391) 6.917 36.050 ( -0.169 0.000 -0.438) 0.469 36.194 ( 3.350 -0.000 7.383) 8.108 37.709 ( -29.049 0.000 7.793) 30.076 38.560 ( 19.621 -0.000 4.260) 20.078======================= Grid point 209 (100/114) =======================q-point: ( 0.25 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.431 ( 7.878 -13.681 -21.210) 26.441 1.773 ( 15.726 -3.883 -20.348) 26.008 2.172 ( -3.675 6.689 1.376) 7.755 2.274 ( 8.864 -1.551 -4.403) 10.018 2.538 ( 4.193 -1.313 -11.821) 12.612 2.633 ( 1.055 4.400 4.376) 6.295 2.815 ( -2.454 -10.720 -10.134) 14.954 2.858 ( 6.314 1.433 -7.686) 10.049 3.213 ( -4.156 -6.999 6.216) 10.241 3.269 ( -1.541 -9.793 9.375) 13.644 3.432 ( -0.318 -1.578 3.137) 3.526 3.549 ( 0.527 -5.501 5.919) 8.098 3.741 ( -1.331 2.827 -0.985) 3.276 3.928 ( -3.916 7.882 -0.804) 8.838 4.097 ( -1.495 -0.146 -4.040) 4.310 4.300 ( -0.246 -1.628 7.648) 7.823 4.484 ( -5.437 0.844 3.084) 6.307 4.583 ( -6.002 -0.070 2.227) 6.402 4.715 ( 0.573 2.532 -1.042) 2.797 4.863 ( -2.908 0.620 -1.764) 3.457 5.027 ( 0.296 -3.052 0.818) 3.173 5.187 ( 8.245 4.892 14.489) 17.374 5.452 ( -6.058 4.648 -1.311) 7.747 5.530 ( -2.746 -3.484 -3.710) 5.783 5.653 ( -2.586 0.400 -8.134) 8.544 5.798 ( -10.092 -4.470 -3.406) 11.551 5.973 ( -2.515 2.915 0.405) 3.871 6.011 ( 2.518 3.968 -4.147) 6.267 6.237 ( 1.476 7.297 1.117) 7.528 6.394 ( 1.065 0.123 1.956) 2.230 7.755 ( 4.109 1.365 -1.703) 4.653 7.983 ( 2.350 1.890 0.564) 3.068 8.104 ( 3.454 -0.783 3.848) 5.230 8.237 ( 4.875 2.892 1.279) 5.810 8.874 ( -4.070 1.068 -0.268) 4.216 9.019 ( -2.214 1.970 2.275) 3.736 9.174 ( 1.771 2.382 -3.593) 4.660 9.258 ( 3.841 -0.270 -3.813) 5.419 9.368 ( -8.179 -0.727 0.499) 8.226 9.500 ( -5.533 -2.374 -0.346) 6.031 9.627 ( 3.946 1.110 -3.193) 5.195 9.731 ( -1.059 2.416 -2.854) 3.886 10.057 ( 9.092 2.523 1.332) 9.529 10.155 ( 1.061 -0.753 3.431) 3.670 10.617 ( 1.545 6.846 2.899) 7.594 10.631 ( 4.728 5.537 -1.208) 7.381 11.132 ( -2.632 -4.626 3.200) 6.210 11.290 ( -5.031 -1.317 4.623) 6.958 11.421 ( 4.894 0.662 -0.354) 4.951 11.637 ( 11.096 5.131 -0.358) 12.230 11.662 ( -0.502 0.955 -6.425) 6.515 11.928 ( 3.539 0.955 -2.402) 4.383 12.218 ( -9.039 3.273 -9.947) 13.833 12.373 ( -3.327 3.506 0.190) 4.837 12.447 ( -4.153 -1.328 -1.117) 4.501 12.596 ( 0.919 2.431 -4.870) 5.520 12.702 ( 1.355 0.831 7.293) 7.465 12.926 ( -0.211 0.380 6.394) 6.409 13.395 ( -4.050 0.924 2.168) 4.686 13.562 ( 5.216 -4.290 0.076) 6.754 13.675 ( -2.726 0.583 -1.392) 3.116 13.792 ( 1.036 -6.976 -0.149) 7.054 14.274 ( -12.388 7.610 -8.359) 16.770 14.610 ( 1.472 -0.913 0.432) 1.785 14.885 ( -4.022 -17.150 -0.456) 17.622 15.089 ( -1.112 -15.382 4.506) 16.067 15.225 ( -4.002 -4.044 -1.487) 5.881 15.272 ( -7.493 -7.973 -0.361) 10.947 15.639 ( 10.567 -7.080 0.234) 12.722 16.165 ( 9.580 0.350 2.344) 9.869 16.524 ( -5.045 4.816 -2.163) 7.302 16.595 ( -4.908 1.930 -0.139) 5.276 16.933 ( -2.522 -0.115 0.190) 2.532 17.039 ( 1.641 -3.278 0.708) 3.734 17.179 ( -3.166 -5.155 -2.107) 6.406 17.470 ( 2.718 -0.374 -1.585) 3.168 19.668 ( 4.840 -4.407 0.114) 6.547 19.886 ( 6.817 2.624 4.603) 8.634 20.935 ( 1.750 8.406 -2.625) 8.979 20.990 ( -0.973 9.701 2.794) 10.142 22.064 ( -5.595 -10.392 3.685) 12.364 22.190 ( 1.625 -8.609 -3.988) 9.626 23.267 ( -2.184 5.229 3.201) 6.508 23.287 ( 3.493 3.949 -2.276) 5.743 27.002 ( 0.022 -10.883 -0.890) 10.919 27.110 ( -1.782 -20.696 5.769) 21.559 29.185 ( -0.256 18.834 -1.558) 18.900 29.482 ( 3.918 12.943 -3.260) 13.910 30.331 ( -13.854 -13.907 -7.652) 21.069 30.683 ( -3.006 -5.971 1.238) 6.799 30.731 ( -2.185 -3.346 3.207) 5.124 31.058 ( 3.984 -8.025 -2.310) 9.253 31.329 ( 0.078 -3.240 5.026) 5.980 31.768 ( -2.658 5.608 -3.051) 6.915 31.838 ( 10.910 9.071 -6.409) 15.569 32.016 ( 11.571 1.225 -9.816) 15.223 32.567 ( 2.416 -8.377 -4.994) 10.047 32.748 ( 6.238 -7.993 -4.463) 11.078 33.526 ( 1.902 2.403 -5.122) 5.969 33.590 ( -6.017 2.438 7.010) 9.555 35.402 ( -1.895 -0.662 1.287) 2.384 35.453 ( 1.370 -0.481 -2.519) 2.908 35.710 ( 2.695 -3.696 -5.968) 7.520 35.798 ( -2.704 -0.991 4.599) 5.426 36.096 ( -0.485 -4.623 2.746) 5.399 36.257 ( 3.473 0.521 6.556) 7.437 37.505 ( -24.094 5.732 12.844) 27.899 38.517 ( 11.150 18.292 -2.236) 21.539======================= Grid point 210 (101/114) =======================q-point: ( 0.38 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.614 ( 8.034 -10.945 -17.414) 22.081 1.938 ( 13.815 -9.854 -5.164) 17.738 2.115 ( 5.510 0.716 5.517) 7.830 2.414 ( 7.661 -4.676 2.901) 9.432 2.555 ( -4.682 1.358 1.502) 5.101 2.656 ( 0.733 -13.239 -13.915) 19.221 2.839 ( 6.791 -0.822 -10.463) 12.501 2.993 ( -2.030 -15.148 -12.070) 19.474 3.260 ( -3.647 -0.686 7.835) 8.670 3.296 ( -2.746 1.067 -2.349) 3.768 3.484 ( -0.928 -2.711 0.608) 2.930 3.639 ( -2.788 1.108 1.094) 3.193 3.683 ( -0.326 2.920 -2.165) 3.650 3.864 ( 2.169 1.421 4.952) 5.590 4.094 ( 0.044 -1.331 -0.904) 1.610 4.304 ( 2.441 7.079 7.423) 10.544 4.421 ( -6.403 0.806 2.739) 7.011 4.531 ( -6.710 2.816 3.845) 8.230 4.749 ( 0.191 -2.409 1.093) 2.652 4.812 ( -1.121 2.417 0.917) 2.818 5.064 ( -4.728 -3.004 1.003) 5.691 5.220 ( 3.209 5.681 6.334) 9.093 5.328 ( -1.825 2.981 -1.362) 3.751 5.541 ( -0.412 -2.015 -4.791) 5.214 5.620 ( -0.444 -0.841 -1.606) 1.866 5.780 ( -7.736 -2.801 -1.411) 8.348 5.921 ( -0.795 -1.521 -4.214) 4.550 5.938 ( 4.885 3.486 -2.351) 6.445 6.149 ( -0.148 3.673 0.921) 3.789 6.378 ( -2.674 2.469 2.821) 4.604 7.757 ( 4.813 2.186 1.336) 5.452 7.914 ( -1.785 3.440 -0.916) 3.982 8.102 ( -0.723 3.127 1.237) 3.440 8.307 ( 8.188 -2.362 1.823) 8.715 8.870 ( -1.131 -1.087 1.407) 2.107 8.965 ( -0.467 3.705 3.151) 4.887 9.143 ( 1.649 0.831 -3.734) 4.165 9.236 ( 0.942 2.361 -2.370) 3.476 9.341 ( -4.365 -0.786 -1.329) 4.630 9.453 ( -5.387 1.445 -2.450) 6.092 9.585 ( 1.862 1.407 -1.189) 2.619 9.743 ( 2.911 -2.665 -1.558) 4.243 10.028 ( 3.762 6.661 -0.478) 7.665 10.172 ( -4.030 -0.507 1.641) 4.381 10.485 ( -0.161 7.825 1.664) 8.002 10.516 ( 3.326 8.195 -4.691) 10.012 11.213 ( -0.558 -2.732 3.769) 4.689 11.332 ( -3.270 -3.871 3.381) 6.091 11.453 ( 3.347 -1.101 -1.085) 3.686 11.559 ( 8.439 7.317 -4.145) 11.914 11.643 ( -1.198 -0.253 -4.152) 4.329 11.836 ( -4.053 2.570 -9.425) 10.576 12.195 ( 2.396 -4.993 -2.090) 5.919 12.308 ( -2.323 1.463 2.978) 4.051 12.446 ( -0.940 1.363 3.732) 4.083 12.531 ( 1.138 1.714 -3.839) 4.356 12.709 ( -1.542 2.950 4.613) 5.688 12.928 ( -1.629 2.588 3.657) 4.767 13.410 ( -1.619 -4.070 3.514) 5.616 13.599 ( 0.782 2.064 -0.926) 2.394 13.681 ( 1.007 -3.294 0.971) 3.579 13.956 ( -2.975 -8.385 -8.205) 12.103 14.051 ( 0.423 5.698 0.533) 5.739 14.631 ( 2.538 0.353 -0.215) 2.572 15.042 ( -1.418 -4.821 -1.721) 5.311 15.334 ( -0.850 -8.863 3.544) 9.583 15.376 ( -5.994 -8.927 7.275) 12.983 15.405 ( -3.816 -12.459 -0.910) 13.062 15.857 ( 9.166 -8.685 0.038) 12.627 16.173 ( 3.537 3.267 -3.648) 6.041 16.379 ( -4.728 6.678 -0.845) 8.226 16.609 ( -7.729 -6.993 7.022) 12.568 16.943 ( -0.820 -2.188 0.347) 2.362 17.126 ( 0.344 -4.277 0.659) 4.341 17.250 ( 0.902 -4.538 -0.700) 4.680 17.476 ( 0.713 -0.549 -2.377) 2.542 19.824 ( 5.706 -7.995 0.221) 9.825 19.918 ( 3.880 -0.366 3.247) 5.073 20.750 ( 1.688 11.334 -3.266) 11.915 20.782 ( -2.151 13.268 2.238) 13.627 22.272 ( -4.641 -14.123 4.057) 15.409 22.350 ( 1.377 -11.128 -6.139) 12.783 23.140 ( -2.507 8.558 3.059) 9.428 23.199 ( 1.787 6.911 -2.091) 7.439 27.261 ( 1.291 -17.901 -1.043) 17.978 27.568 ( -7.898 -26.435 10.832) 29.640 28.825 ( 2.816 22.089 1.577) 22.323 29.186 ( 4.245 19.351 -6.229) 20.768 30.538 ( -0.840 -16.330 -1.870) 16.458 30.782 ( -2.525 -6.949 2.817) 7.912 30.821 ( -3.185 -6.920 2.787) 8.112 31.179 ( 0.631 -3.990 -1.300) 4.244 31.467 ( 1.645 -5.017 6.697) 8.528 31.621 ( -3.475 4.889 -0.191) 6.001 31.653 ( 2.880 12.711 -3.789) 13.573 32.013 ( 11.066 0.516 -18.215) 21.319 32.746 ( 4.824 -10.431 -3.639) 12.055 32.935 ( 3.798 -10.083 -2.034) 10.965 33.443 ( -1.286 5.208 -1.214) 5.500 33.518 ( -3.929 4.161 2.700) 6.328 35.418 ( -0.293 -1.190 1.208) 1.720 35.466 ( 0.625 -1.473 -1.461) 2.167 35.754 ( 1.106 -2.327 -4.315) 5.026 35.845 ( 0.007 -3.326 1.517) 3.655 36.217 ( -2.173 -6.974 4.880) 8.785 36.305 ( 3.308 -0.316 3.546) 4.859 37.311 ( -16.665 7.443 16.434) 24.560 38.140 ( 6.508 23.948 -12.553) 27.810======================= Grid point 211 (102/114) =======================q-point: ( 0.50 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.795 ( 11.344 -7.595 -2.325) 13.848 2.130 ( 12.894 -1.854 -6.048) 14.362 2.256 ( 10.639 0.943 9.875) 14.546 2.515 ( -4.382 -0.828 -0.656) 4.508 2.566 ( 4.270 -6.801 5.968) 10.006 2.763 ( -5.851 -4.870 -3.044) 8.198 2.876 ( -1.862 -3.829 -2.725) 5.055 3.111 ( -3.899 -6.104 -0.897) 7.298 3.305 ( 5.131 -7.383 -8.067) 12.079 3.386 ( -1.564 -12.424 -5.250) 13.578 3.515 ( -4.029 1.651 -0.527) 4.386 3.534 ( -0.081 2.485 -3.247) 4.089 3.631 ( -6.141 0.828 -7.288) 9.566 3.845 ( 5.731 4.043 5.244) 8.757 4.047 ( -6.535 5.960 -0.880) 8.889 4.284 ( 6.894 4.010 8.650) 11.766 4.326 ( -1.237 1.634 -0.401) 2.089 4.525 ( -5.650 -3.349 5.677) 8.681 4.708 ( -3.376 3.962 -1.189) 5.339 4.804 ( 1.998 0.353 1.105) 2.311 5.002 ( -5.289 2.757 -7.135) 9.299 5.229 ( 3.899 1.418 4.904) 6.423 5.232 ( -2.113 3.517 0.013) 4.103 5.573 ( 1.316 -1.688 -1.222) 2.465 5.617 ( 0.268 1.263 1.216) 1.774 5.782 ( -1.189 -2.116 -0.976) 2.616 5.954 ( 1.030 -2.032 0.663) 2.372 5.983 ( 2.848 -3.743 -0.610) 4.743 6.111 ( -1.572 -1.351 -2.373) 3.151 6.301 ( -5.445 4.166 2.599) 7.332 7.755 ( 2.628 2.547 2.731) 4.567 7.876 ( 0.679 0.863 2.007) 2.288 8.066 ( 0.997 0.887 0.430) 1.402 8.374 ( 2.320 0.360 -1.527) 2.800 8.875 ( -0.944 0.010 -1.079) 1.433 8.930 ( 1.102 2.382 1.646) 3.098 9.095 ( -0.232 3.110 -0.911) 3.249 9.195 ( 0.312 1.603 -0.974) 1.901 9.305 ( -2.715 0.490 -1.091) 2.966 9.379 ( -3.049 1.411 -2.734) 4.331 9.646 ( 5.377 -5.319 -0.000) 7.563 9.801 ( -1.172 -2.234 -0.038) 2.523 9.890 ( -2.503 7.493 1.376) 8.019 10.148 ( -4.208 -1.748 -2.004) 4.978 10.371 ( -0.924 6.663 0.973) 6.796 10.409 ( 5.802 3.769 -2.342) 7.304 11.260 ( -0.121 -0.601 3.166) 3.225 11.386 ( -0.763 -0.856 1.031) 1.542 11.458 ( 4.580 1.510 -5.118) 7.032 11.535 ( 1.459 -1.480 1.980) 2.871 11.579 ( -0.777 3.481 -4.829) 6.003 11.777 ( -2.743 -4.070 -3.578) 6.074 12.252 ( -1.401 -1.989 -1.376) 2.795 12.366 ( 0.056 -3.274 1.497) 3.601 12.411 ( 0.477 2.656 2.132) 3.439 12.529 ( 2.296 -2.886 -1.339) 3.923 12.647 ( -2.232 3.805 2.917) 5.288 12.831 ( -2.243 7.860 -0.095) 8.175 13.508 ( -1.621 -4.621 1.222) 5.048 13.620 ( 2.723 -2.564 3.326) 5.005 13.737 ( -0.338 -2.447 -0.860) 2.616 13.836 ( -4.713 2.807 -5.092) 7.484 14.162 ( 10.212 -1.549 2.088) 10.538 14.634 ( 0.235 1.202 1.518) 1.951 15.112 ( -0.650 -5.514 0.678) 5.593 15.381 ( 0.699 3.145 0.639) 3.285 15.460 ( -6.551 -5.443 0.164) 8.519 15.592 ( -2.074 -7.283 0.142) 7.574 16.041 ( 10.167 -2.181 2.819) 10.774 16.153 ( -3.862 -0.002 -2.201) 4.445 16.257 ( 1.742 -0.717 -2.720) 3.309 16.675 ( -9.471 -2.744 3.636) 10.509 16.987 ( 1.286 -1.340 1.666) 2.494 17.182 ( -2.343 -2.766 -0.392) 3.647 17.329 ( 3.661 -1.587 0.512) 4.022 17.488 ( -0.671 -1.614 -0.792) 1.919 19.993 ( 2.459 -4.362 2.544) 5.617 20.029 ( 3.579 -8.456 -0.107) 9.183 20.531 ( -2.749 12.742 2.169) 13.214 20.552 ( 0.970 9.757 -3.465) 10.399 22.512 ( -2.785 -13.136 2.599) 13.677 22.535 ( 1.325 -12.066 -4.637) 12.994 22.976 ( -1.420 9.668 2.332) 10.046 23.052 ( -0.103 8.645 -1.883) 8.848 27.629 ( 3.395 -21.472 0.069) 21.739 27.974 ( -11.041 -21.041 6.084) 24.528 28.472 ( 2.825 21.359 4.795) 22.072 28.813 ( 2.635 20.898 -8.906) 22.869 30.804 ( 3.393 -10.971 2.020) 11.660 30.929 ( 0.037 -6.934 6.411) 9.444 30.956 ( -2.064 -8.926 1.598) 9.300 31.219 ( 3.674 -0.875 -1.028) 3.915 31.406 ( -0.394 10.481 -1.081) 10.544 31.436 ( 1.842 9.777 0.008) 9.949 31.681 ( -5.321 -6.958 5.039) 10.106 31.962 ( 4.206 0.420 -16.520) 17.052 32.939 ( 4.850 -8.129 -2.197) 9.717 33.118 ( 1.332 -8.513 -0.943) 8.668 33.317 ( -2.812 6.899 2.380) 7.821 33.426 ( -1.607 4.052 -0.560) 4.395 35.444 ( 0.582 -0.764 0.901) 1.317 35.494 ( 0.286 -1.528 -0.425) 1.611 35.772 ( 0.791 -1.354 -2.663) 3.090 35.890 ( -1.298 -0.964 0.200) 1.629 36.333 ( -0.745 -4.575 2.168) 5.118 36.373 ( 2.004 -2.654 2.483) 4.151 37.193 ( -7.733 4.586 14.590) 17.138 37.727 ( 2.876 15.900 -14.142) 21.472======================= Grid point 212 (103/114) =======================q-point: ( 0.62 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.964 ( 11.825 2.440 8.154) 14.570 2.189 ( -0.878 4.473 0.561) 4.593 2.215 ( 9.605 9.155 6.853) 14.935 2.434 ( -6.442 4.422 -3.444) 8.539 2.678 ( 4.445 8.315 0.276) 9.433 2.810 ( 3.362 -8.599 -2.827) 9.656 2.952 ( -5.560 -5.709 4.108) 8.966 3.234 ( 2.068 -5.825 7.745) 9.909 3.301 ( -6.031 6.070 -5.237) 10.033 3.450 ( 3.454 -2.323 -1.547) 4.440 3.487 ( -3.324 -1.601 2.656) 4.546 3.532 ( -0.428 -8.998 -13.206) 15.986 3.666 ( -5.508 -10.000 -2.680) 11.726 3.735 ( -6.168 8.961 1.503) 10.982 3.980 ( 3.683 -1.957 -0.611) 4.215 4.267 ( 3.920 2.624 5.567) 7.297 4.439 ( -3.346 -5.203 -0.517) 6.208 4.527 ( -0.052 1.183 -3.749) 3.932 4.645 ( 0.370 -0.624 5.728) 5.774 4.833 ( 4.588 0.705 0.760) 4.704 4.912 ( 0.696 -0.763 -6.796) 6.874 5.150 ( -6.485 -2.792 -5.192) 8.764 5.292 ( 7.602 2.813 8.074) 11.441 5.563 ( 0.591 1.661 -4.022) 4.391 5.639 ( 0.264 -1.799 4.949) 5.273 5.785 ( 1.429 1.286 -3.621) 4.100 5.979 ( -0.731 4.375 2.817) 5.254 5.986 ( -3.551 -0.557 1.431) 3.869 6.179 ( 0.101 -6.324 -5.532) 8.402 6.209 ( -3.241 1.895 2.175) 4.339 7.755 ( 2.134 1.103 3.511) 4.254 7.885 ( 0.724 0.717 2.729) 2.913 8.088 ( 3.438 -0.642 0.381) 3.518 8.307 ( -3.313 4.436 -4.531) 7.154 8.842 ( -0.717 1.588 -1.095) 2.058 8.912 ( 0.959 1.118 0.062) 1.474 9.059 ( -1.849 0.297 1.056) 2.150 9.143 ( -1.788 2.240 -3.491) 4.516 9.301 ( -0.563 -2.867 -1.150) 3.140 9.354 ( -2.793 -3.106 -1.142) 4.330 9.691 ( 0.047 3.849 0.645) 3.903 9.825 ( -3.748 -0.380 1.274) 3.977 9.887 ( 6.768 -5.965 3.932) 9.841 10.170 ( -2.897 -5.134 -3.400) 6.805 10.301 ( -1.401 1.648 4.895) 5.351 10.388 ( 5.168 2.228 -2.981) 6.369 11.263 ( -0.428 1.823 2.233) 2.914 11.344 ( -0.219 2.372 -3.808) 4.492 11.443 ( -1.655 1.202 0.168) 2.052 11.483 ( -0.275 2.828 -3.905) 4.830 11.640 ( 3.085 -5.307 5.246) 8.075 11.857 ( -1.277 -5.827 -0.101) 5.967 12.279 ( -1.116 -2.591 -1.275) 3.096 12.322 ( -2.159 1.970 -2.242) 3.684 12.415 ( 4.037 3.414 2.721) 5.947 12.577 ( -1.546 5.876 -0.288) 6.083 12.660 ( 0.977 -6.964 -2.780) 7.562 12.679 ( -2.645 -0.079 1.468) 3.026 13.521 ( 1.242 2.674 -3.391) 4.493 13.638 ( -5.607 1.814 0.647) 5.928 13.803 ( 2.326 -4.402 3.394) 6.026 13.857 ( 5.437 -5.300 1.226) 7.691 14.232 ( 7.360 2.431 4.097) 8.767 14.575 ( -4.439 4.260 -1.674) 6.376 15.248 ( 3.320 -7.030 3.653) 8.590 15.319 ( 2.502 5.445 2.246) 6.399 15.486 ( -3.416 -1.965 -5.482) 6.751 15.598 ( -7.795 -2.422 -4.283) 9.218 16.015 ( 6.155 9.074 2.153) 11.174 16.245 ( 0.016 -4.517 2.196) 5.023 16.292 ( 1.273 -0.701 3.575) 3.859 16.645 ( -4.722 -2.704 -6.122) 8.191 17.020 ( 3.132 0.515 1.456) 3.492 17.181 ( -4.173 -0.087 -0.958) 4.282 17.363 ( 4.386 1.107 0.830) 4.599 17.491 ( -2.284 0.132 -0.075) 2.289 20.034 ( 1.701 4.146 -0.250) 4.489 20.106 ( -2.324 5.139 -0.040) 5.640 20.404 ( 2.129 -2.956 -0.411) 3.666 20.456 ( -1.458 -1.962 0.623) 2.523 22.668 ( 0.672 -1.822 0.379) 1.979 22.713 ( -0.572 -3.419 -1.235) 3.680 22.834 ( 1.397 2.248 0.483) 2.691 22.923 ( -2.512 0.734 -0.592) 2.683 28.019 ( 0.979 16.524 3.780) 16.979 28.058 ( 4.837 -21.027 0.941) 21.597 28.315 ( -0.629 9.365 -6.053) 11.168 28.453 ( -8.205 -2.716 -0.925) 8.692 30.966 ( 3.105 0.284 3.596) 4.760 31.027 ( 3.239 1.211 0.956) 3.588 31.083 ( 1.259 -6.031 1.977) 6.470 31.220 ( -1.642 5.018 0.445) 5.299 31.329 ( 2.928 3.205 0.674) 4.393 31.340 ( 4.705 -5.301 3.227) 7.788 31.708 ( -2.504 1.370 -3.826) 4.773 31.904 ( -7.246 -1.958 -3.856) 8.438 33.029 ( 2.448 1.926 -0.717) 3.196 33.138 ( -5.844 4.688 1.102) 7.573 33.302 ( 5.828 -4.427 -1.687) 7.511 33.382 ( -1.927 -1.711 1.425) 2.945 35.461 ( 1.168 0.233 0.844) 1.459 35.509 ( -0.233 -0.130 -0.003) 0.267 35.786 ( 1.057 -0.742 -1.771) 2.192 35.866 ( -3.384 0.974 -0.272) 3.532 36.367 ( -3.654 2.157 6.582) 7.831 36.413 ( 4.677 1.419 -5.094) 7.060 37.211 ( 6.141 -2.274 2.480) 7.003 37.531 ( -6.225 -1.727 -3.078) 7.156======================= Grid point 214 (104/114) =======================q-point: (-0.25 0.12 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.950 ( 5.998 10.729 4.971) 13.259 2.037 ( -3.195 13.378 1.986) 13.897 2.078 ( 0.318 10.035 7.285) 12.405 2.216 ( -6.453 9.062 -7.408) 13.366 2.667 ( 4.514 -0.690 7.293) 8.604 2.838 ( -4.133 -0.347 -8.986) 9.897 3.001 ( 5.255 3.423 8.464) 10.534 3.178 ( -4.504 0.491 -7.340) 8.626 3.383 ( 2.289 1.183 7.418) 7.853 3.444 ( -0.073 -1.632 -1.059) 1.947 3.555 ( 2.853 3.851 -0.193) 4.796 3.597 ( -1.545 -3.147 -0.189) 3.510 3.639 ( 0.122 -7.132 2.673) 7.617 3.759 ( -3.946 -3.034 -6.610) 8.274 4.051 ( 5.664 -0.850 5.625) 8.027 4.250 ( -6.017 0.631 -3.877) 7.186 4.436 ( 1.098 -3.494 2.693) 4.546 4.552 ( -3.929 -3.880 -3.556) 6.568 4.735 ( 7.819 -1.184 3.489) 8.643 4.835 ( 0.252 -0.398 -2.082) 2.135 4.950 ( 3.952 0.841 2.413) 4.706 5.106 ( -6.621 1.649 -7.426) 10.085 5.385 ( 9.016 -4.377 1.935) 10.208 5.523 ( -5.398 -3.249 -1.497) 6.475 5.730 ( 1.312 -3.269 6.349) 7.261 5.750 ( 4.320 0.281 -3.532) 5.587 5.889 ( -1.317 3.862 -1.314) 4.287 5.942 ( -6.774 1.448 1.647) 7.120 6.197 ( 2.389 -0.719 1.136) 2.742 6.254 ( -1.456 -3.732 -3.341) 5.216 7.788 ( 3.664 -0.033 3.226) 4.882 7.882 ( -3.358 -0.025 0.568) 3.406 8.123 ( 2.709 -0.016 -0.346) 2.731 8.162 ( -2.584 5.149 -2.348) 6.222 8.834 ( 0.451 -1.205 1.419) 1.915 8.887 ( -1.258 0.009 -3.410) 3.634 9.064 ( -1.364 -1.683 1.823) 2.831 9.099 ( -2.303 -1.725 -3.221) 4.319 9.386 ( 1.937 -6.183 -0.723) 6.519 9.421 ( -2.344 -6.393 -0.622) 6.838 9.669 ( 2.291 1.660 4.720) 5.503 9.761 ( -3.872 2.687 -2.065) 5.146 10.062 ( 7.887 -1.733 5.764) 9.921 10.206 ( -3.396 -1.769 -3.612) 5.264 10.340 ( -2.254 -4.191 5.039) 6.930 10.378 ( 1.790 -1.667 -4.452) 5.080 11.226 ( 0.732 2.340 0.659) 2.539 11.283 ( -3.576 0.494 -3.264) 4.867 11.405 ( -0.125 2.143 0.577) 2.222 11.427 ( -1.496 1.842 -0.785) 2.499 11.787 ( 5.374 -3.016 4.781) 7.800 11.904 ( -4.476 -1.202 -0.620) 4.676 12.286 ( 0.351 -0.730 -0.949) 1.248 12.295 ( -0.356 -1.180 -0.582) 1.363 12.409 ( 2.135 0.967 3.305) 4.051 12.467 ( -0.793 1.223 -2.988) 3.325 12.729 ( 1.522 -4.384 3.028) 5.541 12.797 ( -1.307 -6.425 -3.710) 7.533 13.456 ( 4.280 3.335 -2.814) 6.112 13.534 ( -7.088 3.119 -0.185) 7.746 13.908 ( 7.286 2.111 6.595) 10.051 13.995 ( 1.605 -2.963 -1.246) 3.592 14.273 ( 4.356 -0.431 7.667) 8.829 14.445 ( -6.297 0.123 -7.023) 9.433 15.245 ( 3.166 6.279 2.983) 7.639 15.341 ( -3.698 6.553 -5.067) 9.071 15.448 ( 4.410 -4.718 5.759) 8.653 15.603 ( -5.548 -3.511 -5.998) 8.893 15.928 ( 10.039 8.921 0.851) 13.457 16.091 ( -10.377 8.495 1.043) 13.451 16.468 ( 4.614 -4.704 8.005) 10.368 16.619 ( -1.160 -1.149 -10.500) 10.626 17.028 ( 4.262 2.463 0.613) 4.961 17.109 ( -5.093 3.202 -0.758) 6.063 17.379 ( 4.651 1.522 1.182) 5.034 17.453 ( -3.728 1.127 -0.200) 3.900 19.897 ( 0.459 9.392 -1.432) 9.511 19.913 ( -2.802 10.548 0.296) 10.918 20.571 ( 2.909 -11.135 -2.581) 11.795 20.579 ( -2.392 -10.309 3.116) 11.032 22.559 ( 2.734 11.812 -1.116) 12.175 22.578 ( -1.538 10.855 1.609) 11.081 22.974 ( 2.282 -9.767 -1.934) 10.215 23.004 ( -3.580 -8.820 0.849) 9.557 27.693 ( 2.575 22.296 7.116) 23.545 27.846 ( -2.358 23.637 -12.480) 26.833 28.532 ( 8.396 -22.116 2.732) 23.814 28.697 ( -10.355 -21.557 0.209) 23.916 30.901 ( 1.917 7.744 3.321) 8.641 30.938 ( 1.061 7.905 -2.450) 8.344 31.146 ( 8.632 6.493 4.890) 11.856 31.264 ( 0.800 -3.842 -2.213) 4.506 31.336 ( 2.288 -2.486 0.349) 3.397 31.453 ( -6.079 -4.023 -0.619) 7.316 31.664 ( 8.296 -0.355 -0.888) 8.350 31.850 ( -14.860 -1.254 2.357) 15.098 32.931 ( 0.835 8.746 2.523) 9.141 32.989 ( -3.204 7.844 -2.064) 8.721 33.421 ( 3.097 -5.210 -0.160) 6.063 33.450 ( -0.947 -5.047 0.182) 5.139 35.464 ( 1.799 1.084 0.723) 2.222 35.494 ( -1.117 1.187 0.033) 1.631 35.793 ( 1.161 0.069 -0.939) 1.495 35.821 ( -3.107 1.017 -0.002) 3.269 36.294 ( -3.789 6.292 6.899) 10.077 36.324 ( 4.099 7.128 -8.053) 11.509 37.408 ( 18.513 -10.602 -6.258) 22.232 37.620 ( -16.928 -14.677 5.822) 23.148======================= Grid point 215 (105/114) =======================q-point: (-0.12 0.12 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.780 ( 4.530 9.992 -8.700) 14.002 1.780 ( -4.530 9.992 8.700) 14.002 2.038 ( 1.520 1.500 -11.382) 11.580 2.038 ( -1.520 1.500 11.382) 11.580 2.757 ( -2.797 0.316 -7.721) 8.218 2.757 ( 2.797 0.316 7.721) 8.218 3.003 ( -7.349 8.678 -11.206) 15.966 3.003 ( 7.349 8.678 11.206) 15.966 3.375 ( -3.149 4.712 -9.318) 10.906 3.375 ( 3.149 4.712 9.318) 10.906 3.523 ( -2.951 7.726 -5.936) 10.180 3.523 ( 2.951 7.726 5.936) 10.180 3.790 ( -3.357 -7.340 -4.893) 9.438 3.790 ( 3.357 -7.340 4.893) 9.438 4.181 ( -6.474 -3.311 -8.930) 11.516 4.181 ( 6.474 -3.311 8.930) 11.516 4.560 ( -4.350 -2.966 -3.901) 6.553 4.560 ( 4.350 -2.966 3.901) 6.553 4.823 ( -3.813 -0.366 -4.313) 5.768 4.823 ( 3.813 -0.366 4.313) 5.768 4.941 ( -1.394 2.772 -3.680) 4.813 4.941 ( 1.394 2.772 3.680) 4.813 5.561 ( -5.585 -4.105 0.737) 6.970 5.561 ( 5.585 -4.105 -0.737) 6.970 5.802 ( -2.892 -2.300 -4.870) 6.113 5.802 ( 2.892 -2.300 4.870) 6.113 5.896 ( 0.321 -4.124 -4.765) 6.310 5.896 ( -0.321 -4.124 4.765) 6.310 6.252 ( -4.482 -0.812 -2.914) 5.407 6.252 ( 4.482 -0.812 2.914) 5.407 7.837 ( -5.129 0.263 -2.250) 5.607 7.837 ( 5.129 0.263 2.250) 5.607 8.106 ( -0.398 1.212 -3.702) 3.916 8.106 ( 0.398 1.212 3.702) 3.916 8.906 ( -0.298 -5.067 -3.304) 6.057 8.906 ( 0.298 -5.067 3.304) 6.057 9.116 ( -0.643 -2.810 -2.104) 3.569 9.116 ( 0.643 -2.810 2.104) 3.569 9.507 ( -0.529 -4.286 -1.530) 4.582 9.507 ( 0.529 -4.286 1.530) 4.582 9.684 ( -4.744 0.885 -0.604) 4.864 9.684 ( 4.744 0.885 0.604) 4.864 10.108 ( -5.630 4.900 -5.268) 9.135 10.108 ( 5.630 4.900 5.268) 9.135 10.449 ( 4.528 -6.334 -5.651) 9.620 10.449 ( -4.528 -6.334 5.651) 9.620 11.235 ( -6.262 -0.231 -0.666) 6.301 11.235 ( 6.262 -0.231 0.666) 6.301 11.378 ( 4.166 1.433 -4.777) 6.498 11.378 ( -4.166 1.433 4.777) 6.498 11.850 ( -4.377 1.572 -1.554) 4.903 11.850 ( 4.377 1.572 1.554) 4.903 12.353 ( 2.039 -5.604 -1.561) 6.164 12.353 ( -2.039 -5.604 1.561) 6.164 12.465 ( -1.256 -3.238 -4.921) 6.023 12.465 ( 1.256 -3.238 4.921) 6.023 12.817 ( -1.713 -0.382 -5.449) 5.725 12.817 ( 1.713 -0.382 5.449) 5.725 13.458 ( -1.403 0.029 -1.013) 1.730 13.458 ( 1.403 0.029 1.013) 1.730 13.891 ( -5.319 7.742 -3.098) 9.891 13.891 ( 5.319 7.742 3.098) 9.891 14.438 ( -6.625 -6.813 -4.424) 10.482 14.438 ( 6.625 -6.813 4.424) 10.482 15.159 ( -2.261 8.164 -3.321) 9.099 15.159 ( 2.261 8.164 3.321) 9.099 15.514 ( -2.083 5.833 -4.881) 7.886 15.514 ( 2.083 5.833 4.881) 7.886 15.870 ( -9.825 7.069 -4.657) 12.969 15.870 ( 9.825 7.069 4.657) 12.969 16.581 ( -0.426 -1.905 -5.876) 6.192 16.581 ( 0.426 -1.905 5.876) 6.192 17.014 ( -1.927 2.546 -1.434) 3.500 17.014 ( 1.927 2.546 1.434) 3.500 17.391 ( -4.661 2.015 -1.698) 5.355 17.391 ( 4.661 2.015 1.698) 5.355 19.746 ( 0.018 6.593 -3.074) 7.275 19.746 ( -0.018 6.593 3.074) 7.275 20.776 ( 2.149 -11.248 -3.704) 12.035 20.776 ( -2.149 -11.248 3.704) 12.035 22.355 ( 2.504 12.592 -2.398) 13.060 22.355 ( -2.504 12.592 2.398) 13.060 23.139 ( 3.846 -7.856 -4.679) 9.920 23.139 ( -3.846 -7.856 4.679) 9.920 27.363 ( -1.684 21.343 -7.552) 22.702 27.363 ( 1.684 21.343 7.552) 22.702 29.004 ( -8.613 -21.517 -2.420) 23.302 29.004 ( 8.613 -21.517 2.420) 23.302 30.797 ( -0.167 6.525 -2.984) 7.177 30.797 ( 0.167 6.525 2.984) 7.177 31.096 ( -8.131 10.196 -7.138) 14.867 31.096 ( 8.131 10.196 7.138) 14.867 31.475 ( -10.739 -3.309 -1.074) 11.289 31.475 ( 10.739 -3.309 1.074) 11.289 31.785 ( -3.518 -3.872 -2.692) 5.883 31.785 ( 3.518 -3.872 2.692) 5.883 32.798 ( -1.716 9.211 -3.768) 10.099 32.798 ( 1.716 9.211 3.768) 10.099 33.521 ( 4.132 -3.857 -7.355) 9.276 33.521 ( -4.132 -3.857 7.355) 9.276 35.460 ( 0.087 1.140 -1.240) 1.686 35.460 ( -0.087 1.140 1.240) 1.686 35.786 ( 2.008 1.424 -3.321) 4.134 35.786 ( -2.008 1.424 3.321) 4.134 36.187 ( 3.019 5.953 -4.196) 7.884 36.187 ( -3.019 5.953 4.196) 7.884 37.778 ( -17.153 -15.654 2.169) 23.323 37.778 ( 17.153 -15.654 -2.169) 23.323======================= Grid point 219 (106/114) =======================q-point: ( 0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.231 ( 13.834 -0.000 -22.770) 26.643 1.692 ( 13.930 -0.000 -30.924) 33.917 2.166 ( -3.477 0.000 -14.795) 15.198 2.189 ( -10.848 0.000 -2.971) 11.247 2.438 ( 5.942 -0.000 -24.170) 24.890 2.692 ( 10.994 -0.000 -3.870) 11.655 2.909 ( 6.120 -0.000 1.269) 6.250 2.963 ( -4.160 0.000 5.184) 6.647 3.087 ( 8.511 -0.000 23.982) 25.447 3.234 ( 3.479 -0.000 6.827) 7.663 3.440 ( 1.403 -0.000 -0.212) 1.419 3.513 ( -1.866 0.000 4.230) 4.623 3.768 ( 1.185 -0.000 0.964) 1.528 3.972 ( -2.299 0.000 -2.763) 3.594 4.050 ( -7.186 0.000 0.148) 7.188 4.322 ( 0.287 -0.000 13.995) 13.998 4.460 ( -5.703 0.000 4.424) 7.218 4.581 ( -2.329 0.000 3.512) 4.215 4.752 ( -1.726 0.000 -0.340) 1.760 4.792 ( -3.255 0.000 -4.572) 5.612 5.005 ( -1.869 0.000 -0.827) 2.044 5.404 ( 10.116 -0.000 11.162) 15.064 5.438 ( -7.331 0.000 -2.269) 7.675 5.441 ( -4.964 0.000 -1.087) 5.082 5.585 ( -7.697 0.000 -6.656) 10.175 5.640 ( -5.502 0.000 -4.891) 7.362 5.955 ( -6.263 0.000 -3.829) 7.340 6.010 ( -1.022 0.000 -5.573) 5.666 6.371 ( 1.721 -0.000 0.209) 1.733 6.379 ( 2.104 -0.000 -0.245) 2.118 7.827 ( 8.751 -0.000 0.856) 8.793 8.028 ( 0.481 -0.000 1.559) 1.632 8.134 ( 2.589 -0.000 1.340) 2.916 8.296 ( 1.204 -0.000 1.876) 2.229 8.859 ( -2.911 0.000 0.557) 2.964 8.997 ( -3.750 0.000 1.749) 4.137 9.201 ( -1.575 0.000 -4.222) 4.507 9.204 ( -0.089 0.000 -6.464) 6.464 9.351 ( -2.193 0.000 -1.074) 2.441 9.428 ( -3.454 0.000 0.834) 3.554 9.643 ( 4.293 -0.000 -5.902) 7.298 9.728 ( -3.056 0.000 -1.164) 3.270 10.179 ( 10.938 -0.000 2.732) 11.274 10.198 ( 1.966 -0.000 5.069) 5.437 10.696 ( 5.928 -0.000 -5.851) 8.329 10.726 ( -6.639 0.000 6.173) 9.065 11.050 ( -2.659 0.000 0.349) 2.682 11.271 ( -6.071 0.000 5.885) 8.455 11.449 ( 1.042 -0.000 -1.006) 1.448 11.577 ( -2.454 0.000 -6.447) 6.898 11.849 ( 16.093 -0.000 -3.510) 16.472 11.922 ( -3.984 0.000 -7.593) 8.575 12.157 ( -1.218 0.000 -4.257) 4.427 12.322 ( -5.032 0.000 1.406) 5.225 12.414 ( -2.471 0.000 -2.528) 3.535 12.626 ( 1.237 -0.000 8.665) 8.753 12.855 ( 8.215 -0.000 5.964) 10.151 12.960 ( -0.946 0.000 5.213) 5.298 13.386 ( -3.640 0.000 -0.052) 3.640 13.514 ( 3.231 -0.000 0.303) 3.245 13.645 ( -2.554 0.000 0.110) 2.557 13.749 ( 0.148 -0.000 -2.965) 2.969 14.206 ( -10.143 0.000 -6.158) 11.866 14.591 ( 0.809 -0.000 1.573) 1.769 14.618 ( -0.458 0.000 1.565) 1.631 14.968 ( 1.642 -0.000 0.297) 1.669 15.150 ( -6.685 0.000 1.200) 6.792 15.184 ( 1.631 -0.000 -5.105) 5.359 15.660 ( 11.956 -0.000 1.108) 12.007 16.251 ( 6.690 -0.000 1.374) 6.830 16.528 ( -5.934 0.000 -1.302) 6.076 16.557 ( -4.827 0.000 -4.372) 6.513 16.933 ( -1.879 0.000 1.063) 2.158 17.009 ( -0.444 0.000 -0.331) 0.554 17.089 ( -0.948 0.000 -0.365) 1.016 17.467 ( 0.864 -0.000 -3.509) 3.614 19.676 ( 6.160 -0.000 1.424) 6.322 19.992 ( 4.986 -0.000 3.665) 6.188 21.023 ( 2.168 -0.000 -1.605) 2.698 21.097 ( -0.924 0.000 2.531) 2.695 21.941 ( -5.653 0.000 4.687) 7.343 22.089 ( 0.683 -0.000 -5.182) 5.227 23.313 ( -2.736 0.000 3.067) 4.110 23.330 ( 2.683 -0.000 -3.635) 4.518 26.902 ( 0.097 -0.000 -0.040) 0.104 26.907 ( -0.121 0.000 0.169) 0.208 29.430 ( 5.315 -0.000 2.504) 5.875 29.577 ( 1.100 -0.000 -3.620) 3.784 30.063 ( -5.092 0.000 -3.087) 5.955 30.621 ( -0.045 0.000 1.340) 1.341 30.702 ( -2.436 0.000 3.128) 3.965 31.014 ( 6.648 -0.000 -2.452) 7.086 31.317 ( -0.955 0.000 4.143) 4.252 31.765 ( -1.249 0.000 -9.675) 9.755 31.992 ( 13.966 -0.000 -10.595) 17.530 32.058 ( 2.926 -0.000 -0.722) 3.014 32.463 ( 1.692 -0.000 -4.255) 4.579 32.676 ( 8.087 -0.000 -11.417) 13.991 33.536 ( 2.483 -0.000 -4.934) 5.524 33.603 ( -7.123 0.000 7.325) 10.217 35.392 ( -1.700 0.000 2.594) 3.102 35.446 ( 2.082 -0.000 -3.491) 4.065 35.660 ( 2.417 -0.000 -5.145) 5.685 35.783 ( -5.061 0.000 4.601) 6.840 36.074 ( 2.307 -0.000 1.795) 2.923 36.325 ( 2.167 -0.000 6.137) 6.508 37.476 ( -19.425 0.000 18.844) 27.063 38.724 ( -0.568 0.000 -3.837) 3.879======================= Grid point 220 (107/114) =======================q-point: ( 0.38 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.376 ( 13.958 -12.385 -17.140) 25.337 1.779 ( 15.706 -17.028 -21.582) 31.661 1.981 ( -11.520 -3.710 -3.299) 12.544 2.251 ( -14.275 -13.938 -9.938) 22.289 2.423 ( 16.870 -0.850 -20.072) 26.234 2.744 ( 0.497 2.498 6.919) 7.372 2.791 ( 7.679 10.197 -1.316) 12.833 2.932 ( 6.928 1.930 -3.049) 7.811 3.287 ( -0.115 0.614 9.658) 9.678 3.318 ( 1.179 0.207 7.362) 7.458 3.455 ( 2.102 -1.043 -1.300) 2.683 3.603 ( 0.625 -4.308 2.355) 4.949 3.747 ( -2.066 4.889 1.160) 5.433 3.933 ( 2.162 -0.119 5.023) 5.470 4.030 ( -2.151 -2.353 -0.511) 3.229 4.411 ( -4.233 -0.646 10.088) 10.959 4.466 ( 0.364 1.781 6.332) 6.588 4.564 ( -2.296 3.005 4.868) 6.164 4.714 ( -0.713 -1.429 2.167) 2.692 4.805 ( -3.610 -2.512 1.278) 4.580 4.972 ( -4.210 -1.101 -3.201) 5.402 5.301 ( -7.928 1.580 -6.139) 10.151 5.345 ( -4.396 3.734 -3.133) 6.563 5.502 ( -1.590 -0.367 -3.996) 4.317 5.576 ( 4.212 -2.801 1.861) 5.390 5.635 ( -4.433 -3.463 0.087) 5.626 5.877 ( -4.642 0.477 -3.128) 5.617 5.966 ( 0.495 0.287 -5.258) 5.289 6.285 ( 2.159 7.248 1.361) 7.684 6.406 ( -0.343 1.001 -0.315) 1.104 7.877 ( 7.163 2.117 3.055) 8.070 7.950 ( -4.389 4.794 -2.199) 6.862 8.146 ( -0.351 1.870 -0.180) 1.911 8.335 ( 4.576 -1.435 2.582) 5.446 8.859 ( -0.158 -0.286 2.827) 2.846 9.015 ( -2.570 -1.794 2.441) 3.973 9.116 ( 0.091 1.347 -5.093) 5.269 9.186 ( -2.792 -1.444 -6.884) 7.568 9.330 ( -0.333 0.219 -1.885) 1.927 9.405 ( -4.270 0.483 -1.513) 4.556 9.624 ( 2.581 1.490 -3.852) 4.870 9.720 ( 0.649 -1.416 -0.447) 1.621 10.202 ( 3.728 6.215 2.091) 7.543 10.207 ( 3.138 4.239 3.150) 6.143 10.590 ( -8.674 5.950 1.307) 10.599 10.644 ( 3.688 6.155 -6.165) 9.460 11.130 ( -1.562 -7.440 1.170) 7.691 11.264 ( -5.935 -1.452 5.203) 8.025 11.448 ( 0.205 -1.033 -1.442) 1.786 11.541 ( -2.223 -1.642 -6.932) 7.462 11.783 ( 1.634 5.615 -7.369) 9.408 11.840 ( 7.506 7.490 -7.308) 12.878 12.188 ( 6.927 0.454 0.780) 6.986 12.327 ( -5.057 -0.294 4.053) 6.488 12.391 ( -0.341 -1.424 1.573) 2.149 12.647 ( 1.948 5.705 3.666) 7.055 12.818 ( 3.405 5.932 4.785) 8.347 12.964 ( -2.342 1.164 3.332) 4.236 13.364 ( -1.963 -1.353 1.303) 2.717 13.612 ( -1.095 -2.628 -1.802) 3.369 13.644 ( 0.544 -2.086 1.262) 2.498 13.740 ( -5.297 -5.201 -8.164) 11.034 14.181 ( 9.428 3.545 7.533) 12.578 14.626 ( 0.457 -0.706 -0.261) 0.880 14.873 ( -0.001 -18.648 3.858) 19.043 15.089 ( -3.767 -12.720 4.021) 13.862 15.174 ( -5.605 -6.838 0.900) 8.887 15.227 ( 2.322 -7.153 -0.747) 7.558 15.813 ( 11.419 -5.248 0.175) 12.568 16.240 ( -0.008 4.228 -2.976) 5.171 16.435 ( -4.562 3.017 0.610) 5.503 16.510 ( -4.705 -0.713 -0.930) 4.849 16.914 ( 0.063 -0.172 0.743) 0.765 17.048 ( -0.995 -4.274 -0.169) 4.392 17.161 ( 1.486 -5.826 0.945) 6.087 17.446 ( -1.095 -0.634 -4.830) 4.993 19.770 ( 6.470 -3.814 1.842) 7.733 19.995 ( 2.437 3.146 1.254) 4.173 20.941 ( 2.515 9.277 -2.161) 9.851 20.997 ( -1.916 10.382 2.292) 10.803 22.034 ( -5.013 -10.640 5.494) 12.982 22.142 ( 0.943 -8.452 -7.277) 11.193 23.260 ( -2.979 5.162 2.747) 6.563 23.288 ( 1.093 3.796 -3.858) 5.522 27.004 ( 1.051 -11.219 -0.255) 11.271 27.115 ( -4.502 -20.828 3.623) 21.615 29.254 ( 4.822 19.739 4.071) 20.724 29.463 ( 0.869 12.313 -5.601) 13.555 30.278 ( 8.360 -15.796 9.174) 20.089 30.679 ( -0.501 -4.949 2.740) 5.679 30.726 ( -2.815 -3.088 2.779) 5.018 31.102 ( 4.994 -4.987 -2.241) 7.405 31.378 ( -1.280 -5.517 3.615) 6.719 31.671 ( -2.772 2.401 -8.891) 9.617 31.888 ( 4.796 12.153 -4.038) 13.675 32.024 ( 6.557 4.371 -12.583) 14.847 32.576 ( 4.434 -10.397 -2.849) 11.657 32.759 ( 4.611 -9.370 -8.549) 13.496 33.505 ( 1.596 2.821 -3.247) 4.588 33.563 ( -6.316 2.603 5.271) 8.628 35.407 ( -0.574 -0.898 2.677) 2.881 35.445 ( 1.581 -0.469 -2.655) 3.126 35.686 ( 2.835 -3.246 -5.314) 6.842 35.787 ( -4.884 -2.481 3.725) 6.624 36.141 ( 2.300 -3.625 2.878) 5.168 36.350 ( 0.034 0.828 3.151) 3.259 37.430 ( -11.889 5.375 24.151) 27.450 38.469 ( -4.598 18.018 -14.936) 23.851======================= Grid point 221 (108/114) =======================q-point: ( 0.50 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.654 ( 15.045 -14.989 -5.889) 22.039 2.096 ( 2.067 -13.175 3.230) 13.722 2.250 ( 13.709 -20.403 -5.674) 25.227 2.340 ( -10.602 -15.289 -8.608) 20.500 2.474 ( 2.034 -7.376 -7.322) 10.590 2.663 ( 6.738 6.926 4.766) 10.774 2.766 ( -2.596 0.557 -3.849) 4.676 2.957 ( 3.575 -4.498 -4.220) 7.129 3.231 ( -4.170 3.975 0.856) 5.825 3.324 ( -0.102 3.513 1.116) 3.687 3.490 ( 1.897 0.639 0.703) 2.121 3.590 ( -5.060 6.201 1.331) 8.113 3.635 ( 3.098 0.895 -2.899) 4.336 4.003 ( 8.652 4.186 3.555) 10.248 4.044 ( -5.505 -1.848 -2.701) 6.404 4.374 ( -7.244 4.490 4.919) 9.841 4.466 ( 2.466 5.673 6.838) 9.221 4.505 ( 1.185 0.744 5.592) 5.764 4.733 ( -2.864 1.999 2.768) 4.457 4.824 ( -1.761 -0.496 4.009) 4.407 4.964 ( -1.775 -0.553 -4.577) 4.941 5.184 ( -8.880 3.440 -8.141) 12.529 5.288 ( 0.598 -4.676 1.238) 4.874 5.518 ( -1.768 -5.655 -3.930) 7.110 5.646 ( -1.177 -4.812 -3.511) 6.072 5.649 ( 0.324 1.075 0.836) 1.400 5.875 ( -0.122 -3.172 1.045) 3.342 5.973 ( 2.943 -2.013 -1.688) 3.945 6.185 ( 1.078 6.805 3.859) 7.897 6.345 ( -2.999 3.942 -0.596) 4.988 7.844 ( -0.975 3.002 0.248) 3.166 7.906 ( 1.497 0.617 2.336) 2.842 8.106 ( 3.488 2.574 0.967) 4.441 8.381 ( 0.258 0.247 -1.313) 1.361 8.877 ( 1.584 -0.103 1.848) 2.436 9.019 ( 2.002 3.089 3.589) 5.141 9.111 ( -1.887 -0.614 -1.194) 2.316 9.165 ( -0.689 -2.625 -7.189) 7.684 9.302 ( -2.307 0.818 -1.140) 2.700 9.329 ( -5.305 1.523 -4.345) 7.024 9.638 ( 5.731 -1.477 1.006) 6.003 9.758 ( 0.380 -1.918 0.209) 1.966 10.048 ( -1.276 10.786 0.404) 10.869 10.133 ( -3.363 4.417 -0.825) 5.612 10.477 ( -2.358 4.388 2.261) 5.470 10.507 ( 3.313 6.595 -4.835) 8.824 11.246 ( 0.402 -3.989 2.804) 4.893 11.310 ( -3.321 -5.205 3.143) 6.928 11.485 ( 1.003 -2.464 0.594) 2.726 11.522 ( 1.579 -1.373 -7.614) 7.896 11.662 ( 2.844 6.847 -4.415) 8.630 11.705 ( -0.395 4.774 -5.014) 6.934 12.220 ( 3.082 -0.191 -1.461) 3.416 12.321 ( -4.391 -0.591 4.545) 6.347 12.434 ( 1.201 -1.144 1.896) 2.519 12.552 ( 1.076 4.647 -1.256) 4.932 12.772 ( 1.395 5.806 5.464) 8.094 12.913 ( -2.489 3.891 -0.433) 4.639 13.441 ( 1.395 -4.928 3.431) 6.165 13.619 ( 1.411 -0.575 0.442) 1.586 13.677 ( -2.597 -2.751 -1.049) 3.926 13.726 ( -7.230 -3.330 -7.992) 11.280 14.293 ( 15.584 0.765 8.172) 17.613 14.642 ( -0.412 -0.874 -1.246) 1.577 15.038 ( 1.148 -3.844 2.062) 4.511 15.254 ( -5.646 -6.798 -2.495) 9.183 15.381 ( -4.723 -11.194 8.002) 14.548 15.426 ( 0.711 -11.076 0.601) 11.115 15.979 ( 8.155 -6.372 -2.810) 10.724 16.127 ( -3.177 2.680 -2.834) 5.031 16.349 ( 1.554 5.135 0.233) 5.370 16.539 ( -9.427 -5.396 3.842) 11.521 16.967 ( 2.481 -3.090 1.936) 4.410 17.107 ( -2.443 -3.441 -0.673) 4.273 17.293 ( 3.050 -5.645 1.606) 6.614 17.435 ( -1.542 -2.290 -3.416) 4.393 19.915 ( 5.112 -6.338 0.640) 8.168 19.986 ( 1.129 -0.698 1.389) 1.922 20.745 ( 2.223 12.439 -2.892) 12.963 20.769 ( -2.653 13.865 2.185) 14.285 22.257 ( -4.435 -14.120 5.628) 15.834 22.299 ( 2.470 -12.158 -7.581) 14.539 23.133 ( -2.484 7.997 2.828) 8.838 23.175 ( -0.027 6.827 -3.734) 7.781 27.297 ( 4.083 -19.103 0.110) 19.535 27.500 ( -10.304 -24.494 3.880) 26.855 28.931 ( 4.056 22.870 5.318) 23.828 29.142 ( 0.244 19.562 -7.226) 20.856 30.658 ( 7.183 -11.113 6.736) 14.849 30.799 ( -3.260 -6.392 1.985) 7.445 30.849 ( 4.020 -9.877 11.802) 15.906 31.204 ( 4.138 -3.767 -2.198) 6.012 31.496 ( -2.311 -4.670 -1.328) 5.377 31.552 ( -4.274 3.312 -2.883) 6.128 31.674 ( 1.668 11.609 2.642) 12.022 31.898 ( 3.518 2.812 -19.765) 20.271 32.801 ( 5.988 -10.861 -1.760) 12.527 32.935 ( 0.127 -11.059 -3.255) 11.529 33.426 ( -0.121 5.427 0.356) 5.440 33.482 ( -3.487 4.114 1.166) 5.517 35.438 ( 0.547 -1.129 1.376) 1.862 35.463 ( 0.528 -1.624 -0.872) 1.918 35.736 ( 2.899 -2.496 -3.492) 5.179 35.831 ( -4.085 -3.605 1.436) 5.634 36.254 ( 1.758 -5.277 2.502) 6.099 36.355 ( -0.998 -1.237 1.394) 2.114 37.373 ( -5.609 8.890 24.731) 26.872 37.972 ( -1.919 20.500 -21.912) 30.068======================= Grid point 222 (109/114) =======================q-point: ( 0.62 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.030 ( 13.777 -12.165 5.406) 19.157 2.217 ( 1.176 -1.438 -3.485) 3.949 2.430 ( 0.480 1.663 -0.932) 1.966 2.519 ( 1.590 3.199 -0.757) 3.652 2.687 ( 9.337 -5.300 -1.319) 10.817 2.737 ( -6.616 -12.452 10.817) 17.772 2.783 ( 5.930 -7.874 2.837) 10.257 3.092 ( -2.385 -9.683 -0.210) 9.975 3.171 ( -8.385 -1.973 -11.819) 14.625 3.245 ( -7.029 -10.027 -5.217) 13.311 3.435 ( 1.906 3.434 -2.852) 4.854 3.478 ( -3.656 0.373 -1.460) 3.954 3.648 ( 9.373 6.610 4.325) 12.258 3.863 ( -11.084 10.553 -3.515) 15.703 4.039 ( 11.453 1.744 4.515) 12.434 4.277 ( -11.679 -0.312 -1.800) 11.821 4.415 ( 2.924 4.115 6.311) 8.081 4.534 ( -1.118 2.523 -4.745) 5.489 4.718 ( 4.583 0.433 10.220) 11.209 4.854 ( 1.158 -2.245 -2.656) 3.665 4.907 ( 3.188 2.806 -3.688) 5.625 5.033 ( -9.326 0.211 -4.997) 10.582 5.417 ( 5.047 -1.926 7.408) 9.168 5.558 ( -1.781 -1.064 -4.386) 4.852 5.640 ( -0.486 -0.568 3.262) 3.347 5.700 ( -2.149 -5.284 -6.736) 8.827 5.961 ( 1.497 -2.767 3.575) 4.763 6.040 ( -1.652 -3.515 -3.954) 5.542 6.114 ( 4.442 4.400 5.598) 8.392 6.229 ( -4.822 4.169 -1.520) 6.553 7.826 ( 2.695 1.266 2.836) 4.112 7.900 ( -2.693 0.294 0.021) 2.709 8.132 ( 7.596 1.290 3.307) 8.384 8.309 ( -5.968 2.784 -5.077) 8.316 8.908 ( 5.243 2.289 3.816) 6.877 8.981 ( 1.310 4.110 1.578) 4.593 9.070 ( -2.451 1.927 0.812) 3.221 9.129 ( -3.694 0.739 -8.118) 8.950 9.270 ( -1.344 -0.206 -0.724) 1.540 9.276 ( -2.219 -1.341 -1.399) 2.946 9.727 ( 4.299 -0.449 0.162) 4.325 9.797 ( -2.795 -1.345 -0.859) 3.219 9.899 ( 2.637 2.565 6.733) 7.672 10.047 ( -5.110 -1.680 -5.391) 7.615 10.394 ( 0.360 4.775 4.353) 6.472 10.437 ( 2.207 2.823 -4.126) 5.465 11.303 ( -0.130 0.048 5.058) 5.060 11.362 ( -0.543 -0.052 -3.883) 3.921 11.487 ( 4.295 4.396 -1.371) 6.297 11.536 ( -0.436 5.630 -2.829) 6.315 11.581 ( 2.710 -6.352 3.539) 7.760 11.691 ( -4.622 -7.469 -3.583) 9.486 12.240 ( 1.244 -1.094 0.234) 1.673 12.299 ( -4.767 -0.156 -1.505) 5.001 12.485 ( 2.866 -1.384 3.164) 4.488 12.535 ( 0.452 -2.788 -2.154) 3.552 12.690 ( 1.502 7.198 4.112) 8.425 12.767 ( -3.292 8.436 -2.786) 9.474 13.549 ( 3.311 -1.247 2.584) 4.381 13.625 ( -2.721 0.826 -1.683) 3.304 13.714 ( 0.125 -5.277 -0.289) 5.287 13.750 ( -2.549 -7.882 -1.536) 8.425 14.411 ( 13.879 3.714 4.531) 15.065 14.601 ( -6.365 3.013 -0.653) 7.073 15.162 ( 3.076 -6.757 4.856) 8.871 15.296 ( -5.595 -7.025 -5.849) 10.717 15.454 ( 1.597 2.747 3.968) 5.083 15.536 ( -3.099 -1.070 -3.204) 4.584 16.110 ( -1.162 -2.912 2.249) 3.858 16.138 ( 0.476 -7.461 -2.373) 7.844 16.334 ( 10.869 1.431 1.292) 11.038 16.527 ( -11.617 -1.359 -0.575) 11.710 17.046 ( 3.490 -1.625 1.967) 4.323 17.124 ( -3.791 -1.935 -1.368) 4.471 17.397 ( 3.696 -1.933 0.991) 4.287 17.455 ( -2.473 -2.050 -0.811) 3.313 20.048 ( 1.137 -3.936 1.997) 4.558 20.063 ( 1.484 -5.972 -1.031) 6.239 20.521 ( -1.893 12.064 2.483) 12.462 20.530 ( 1.025 10.545 -3.009) 11.014 22.504 ( -2.474 -13.255 3.173) 13.852 22.511 ( 1.981 -13.004 -4.105) 13.779 22.985 ( -0.454 8.806 2.277) 9.107 23.016 ( -0.763 8.407 -2.542) 8.816 27.715 ( 7.106 -22.108 0.672) 23.231 27.847 ( -10.134 -21.854 1.252) 24.122 28.581 ( 2.973 22.941 6.779) 24.106 28.711 ( -1.992 22.593 -8.918) 24.371 30.876 ( 3.245 -9.162 0.623) 9.739 30.921 ( -2.977 -8.764 0.860) 9.296 31.124 ( 4.642 -3.203 15.145) 16.161 31.276 ( 4.685 -1.947 -6.507) 8.251 31.381 ( 0.198 7.168 1.027) 7.244 31.443 ( -0.961 5.694 -1.734) 6.029 31.663 ( -3.682 -2.473 7.176) 8.436 31.784 ( -1.171 -0.770 -16.232) 16.293 33.003 ( 5.700 -6.916 -1.028) 9.021 33.079 ( -4.221 -6.898 -0.582) 8.108 33.339 ( 1.607 4.471 2.035) 5.168 33.388 ( -2.202 3.511 -1.006) 4.265 35.468 ( 0.992 -0.909 1.001) 1.677 35.490 ( -0.378 -1.420 -0.595) 1.585 35.779 ( 3.501 -1.044 -1.358) 3.897 35.840 ( -4.676 -0.726 -0.010) 4.732 36.365 ( 1.768 -3.800 1.521) 4.459 36.398 ( -0.940 -2.973 0.293) 3.132 37.322 ( -0.508 6.949 18.524) 19.791 37.548 ( -1.375 11.711 -18.318) 21.785======================= Grid point 223 (110/114) =======================q-point: (-0.25 0.25 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 2.184 ( -2.903 5.419 -2.509) 6.640 2.184 ( 2.903 5.419 2.509) 6.640 2.345 ( -0.521 10.481 -2.595) 10.810 2.345 ( 0.521 10.481 2.595) 10.810 2.743 ( -3.969 1.777 -2.007) 4.789 2.743 ( 3.969 1.777 2.007) 4.789 3.060 ( -8.295 -6.707 -6.703) 12.599 3.060 ( 8.295 -6.707 6.703) 12.599 3.394 ( -2.342 -5.744 -7.991) 10.116 3.394 ( 2.342 -5.744 7.991) 10.116 3.482 ( 3.452 -7.508 -3.552) 8.994 3.482 ( -3.452 -7.508 3.552) 8.994 3.626 ( -0.306 1.584 -5.752) 5.974 3.626 ( 0.306 1.584 5.752) 5.974 4.154 ( -10.929 0.196 -7.623) 13.326 4.154 ( 10.929 0.196 7.623) 13.326 4.447 ( -4.472 -0.529 -5.998) 7.501 4.447 ( 4.472 -0.529 5.998) 7.501 4.805 ( -0.366 0.693 -9.883) 9.914 4.805 ( 0.366 0.693 9.883) 9.914 4.982 ( -8.127 -3.544 -3.276) 9.452 4.982 ( 8.127 -3.544 3.276) 9.452 5.475 ( -4.454 3.215 -6.914) 8.830 5.475 ( 4.454 3.215 6.914) 8.830 5.718 ( -1.025 -3.024 -7.250) 7.922 5.718 ( 1.025 -3.024 7.250) 7.922 5.971 ( 0.332 4.614 -2.013) 5.045 5.971 ( -0.332 4.614 2.013) 5.045 6.175 ( -1.852 -2.725 0.388) 3.317 6.175 ( 1.852 -2.725 -0.388) 3.317 7.853 ( -4.276 0.952 -3.002) 5.311 7.853 ( 4.276 0.952 3.002) 5.311 8.181 ( -4.956 2.164 -4.460) 7.010 8.181 ( 4.956 2.164 4.460) 7.010 8.892 ( -2.512 4.003 -3.396) 5.819 8.892 ( 2.512 4.003 3.396) 5.819 9.061 ( -0.441 0.285 -3.558) 3.597 9.061 ( 0.441 0.285 3.558) 3.597 9.304 ( -0.983 -3.905 -0.577) 4.068 9.304 ( 0.983 -3.905 0.577) 4.068 9.741 ( -4.628 1.184 -1.178) 4.920 9.741 ( 4.628 1.184 1.178) 4.920 10.056 ( -6.492 -6.583 -4.591) 10.323 10.056 ( 6.492 -6.583 4.591) 10.323 10.368 ( 0.065 2.300 -6.701) 7.085 10.368 ( -0.065 2.300 6.701) 7.085 11.293 ( 1.211 3.313 -4.994) 6.115 11.293 ( -1.211 3.313 4.994) 6.115 11.447 ( 0.277 2.270 -2.623) 3.480 11.447 ( -0.277 2.270 2.623) 3.480 11.769 ( -4.720 -6.918 -5.202) 9.859 11.769 ( 4.720 -6.918 5.202) 9.859 12.275 ( -0.245 -0.704 -1.456) 1.635 12.275 ( 0.245 -0.704 1.456) 1.635 12.514 ( -3.133 5.153 -3.407) 6.927 12.514 ( 3.133 5.153 3.407) 6.927 12.661 ( 2.546 -3.771 -2.571) 5.226 12.661 ( -2.546 -3.771 2.571) 5.226 13.550 ( -5.315 3.445 0.848) 6.390 13.550 ( 5.315 3.445 -0.848) 6.390 13.879 ( -0.037 -8.685 -4.376) 9.726 13.879 ( 0.037 -8.685 4.376) 9.726 14.428 ( -7.005 6.411 -6.378) 11.439 14.428 ( 7.005 6.411 6.378) 11.439 15.358 ( -3.300 -4.816 -5.650) 8.125 15.358 ( 3.300 -4.816 5.650) 8.125 15.433 ( -6.726 1.721 -3.592) 7.816 15.433 ( 6.726 1.721 3.592) 7.816 16.145 ( -6.993 4.246 -2.292) 8.496 16.145 ( 6.993 4.246 2.292) 8.496 16.470 ( -6.494 -4.559 -8.444) 11.587 16.470 ( 6.494 -4.559 8.444) 11.587 17.099 ( -4.595 0.434 -1.406) 4.824 17.099 ( 4.595 0.434 1.406) 4.824 17.438 ( -3.602 0.614 -0.887) 3.760 17.438 ( 3.602 0.614 0.887) 3.760 20.066 ( -0.987 6.345 -0.889) 6.482 20.066 ( 0.987 6.345 0.889) 6.482 20.434 ( 0.161 -3.249 -0.554) 3.300 20.434 ( -0.161 -3.249 0.554) 3.300 22.688 ( 1.225 -3.396 -2.857) 4.604 22.688 ( -1.225 -3.396 2.857) 4.604 22.872 ( -1.637 1.810 -1.347) 2.787 22.872 ( 1.637 1.810 1.347) 2.787 28.089 ( 0.186 0.111 -5.028) 5.033 28.089 ( -0.186 0.111 5.028) 5.033 28.311 ( -1.627 1.303 -3.295) 3.899 28.311 ( 1.627 1.303 3.295) 3.899 31.025 ( -1.736 -1.018 -0.702) 2.132 31.025 ( 1.736 -1.018 0.702) 2.132 31.178 ( -2.536 0.144 -2.612) 3.644 31.178 ( 2.536 0.144 2.612) 3.644 31.390 ( -0.032 0.894 -3.946) 4.046 31.390 ( 0.032 0.894 3.946) 4.046 31.725 ( 4.661 -1.481 -12.885) 13.782 31.725 ( -4.661 -1.481 12.885) 13.782 33.071 ( 0.651 3.605 -2.045) 4.196 33.071 ( -0.651 3.605 2.045) 4.196 33.357 ( 3.834 -3.274 -1.927) 5.398 33.357 ( -3.834 -3.274 1.927) 5.398 35.492 ( -0.048 -0.006 -1.868) 1.869 35.492 ( 0.048 -0.006 1.868) 1.869 35.808 ( 0.281 0.240 -2.078) 2.111 35.808 ( -0.281 0.240 2.078) 2.111 36.400 ( 3.028 2.486 -7.027) 8.046 36.400 ( -3.028 2.486 7.027) 8.046 37.369 ( -4.545 -2.784 -6.951) 8.759 37.369 ( 4.545 -2.784 6.951) 8.759======================= Grid point 229 (111/114) =======================q-point: ( 0.38 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 108Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.286 ( 18.886 -0.000 -13.049) 22.956 1.553 ( 14.255 -0.000 -26.452) 30.049 1.842 ( -18.511 0.000 -8.083) 20.199 1.882 ( -17.749 0.000 -6.049) 18.751 2.497 ( 26.830 -0.000 -17.460) 32.011 2.800 ( -0.588 0.000 3.043) 3.099 2.952 ( -3.105 0.000 5.141) 6.006 2.980 ( 3.850 -0.000 -1.797) 4.249 3.357 ( 1.036 -0.000 5.920) 6.010 3.395 ( 0.991 -0.000 5.844) 5.928 3.487 ( 7.968 -0.000 7.644) 11.042 3.589 ( 5.538 -0.000 3.688) 6.653 3.810 ( 1.581 -0.000 -0.744) 1.747 3.881 ( -10.101 0.000 -0.617) 10.120 4.056 ( 5.975 -0.000 6.565) 8.877 4.388 ( -8.816 0.000 4.887) 10.080 4.554 ( 7.731 -0.000 12.324) 14.548 4.615 ( -0.929 0.000 4.654) 4.746 4.706 ( -3.199 0.000 -1.142) 3.396 4.746 ( -0.266 0.000 3.147) 3.158 4.906 ( -3.738 0.000 -6.321) 7.344 5.181 ( -11.908 0.000 -7.914) 14.298 5.320 ( -6.472 0.000 -5.326) 8.382 5.391 ( -7.788 0.000 -9.370) 12.184 5.595 ( 1.680 -0.000 3.653) 4.021 5.672 ( 6.225 -0.000 4.561) 7.717 5.833 ( -2.798 0.000 -1.149) 3.024 5.936 ( -0.134 0.000 -4.474) 4.476 6.373 ( -0.635 0.000 0.187) 0.662 6.406 ( 2.004 -0.000 -1.535) 2.524 7.915 ( -1.506 0.000 -0.493) 1.584 7.943 ( -7.715 0.000 -2.498) 8.109 8.203 ( 7.928 -0.000 1.317) 8.037 8.362 ( 2.033 -0.000 3.650) 4.178 8.882 ( 1.674 -0.000 1.087) 1.996 8.938 ( -6.930 0.000 0.426) 6.943 9.102 ( 3.360 -0.000 -9.658) 10.226 9.147 ( -1.391 0.000 0.248) 1.413 9.303 ( -1.330 0.000 -2.811) 3.110 9.385 ( -3.094 0.000 -0.864) 3.213 9.635 ( 4.736 -0.000 -5.648) 7.371 9.702 ( -2.071 0.000 2.621) 3.340 10.261 ( -0.153 0.000 3.521) 3.524 10.347 ( 5.075 -0.000 -0.098) 5.076 10.567 ( -9.653 0.000 1.735) 9.808 10.694 ( 2.073 -0.000 -5.769) 6.130 11.045 ( 2.388 -0.000 -0.270) 2.404 11.228 ( -8.915 0.000 5.498) 10.474 11.408 ( -2.262 0.000 -2.283) 3.214 11.473 ( -1.141 0.000 -6.824) 6.919 11.792 ( 2.045 -0.000 -3.061) 3.681 11.955 ( 6.684 -0.000 -11.230) 13.069 12.275 ( 9.207 -0.000 1.648) 9.353 12.328 ( -1.581 0.000 8.429) 8.576 12.424 ( 2.699 -0.000 5.666) 6.276 12.715 ( -3.291 0.000 4.982) 5.971 12.944 ( -0.016 0.000 -1.574) 1.574 12.970 ( -2.820 0.000 1.776) 3.333 13.343 ( -1.182 0.000 0.069) 1.184 13.486 ( -5.846 0.000 -3.941) 7.051 13.626 ( -0.886 0.000 1.028) 1.357 13.659 ( 0.020 -0.000 -4.481) 4.481 14.452 ( 20.669 -0.000 20.324) 28.987 14.618 ( 0.847 -0.000 0.708) 1.104 14.634 ( -0.009 0.000 2.666) 2.666 14.990 ( 0.561 -0.000 -0.037) 0.562 15.076 ( -5.239 0.000 2.003) 5.609 15.151 ( 0.858 -0.000 -5.887) 5.950 15.859 ( 10.956 -0.000 3.109) 11.389 16.250 ( -3.673 0.000 -6.312) 7.303 16.438 ( -4.309 0.000 0.275) 4.318 16.458 ( -2.094 0.000 -2.371) 3.164 16.932 ( 0.136 -0.000 1.121) 1.129 16.986 ( -1.039 0.000 -0.929) 1.394 17.127 ( 2.954 -0.000 3.277) 4.412 17.388 ( -3.293 0.000 -6.741) 7.502 19.804 ( 6.832 -0.000 3.157) 7.526 20.030 ( -1.481 0.000 -1.487) 2.098 21.045 ( 2.836 -0.000 -1.325) 3.130 21.097 ( -2.193 0.000 1.775) 2.821 21.927 ( -4.599 0.000 6.836) 8.239 22.021 ( 1.088 -0.000 -8.299) 8.371 23.299 ( -3.242 0.000 2.897) 4.348 23.308 ( 1.459 -0.000 -4.814) 5.030 26.906 ( 0.210 -0.000 0.048) 0.215 26.908 ( -0.077 0.000 0.154) 0.172 29.506 ( 0.967 -0.000 -0.165) 0.981 29.542 ( -0.102 0.000 -3.350) 3.352 30.327 ( 17.169 -0.000 28.673) 33.420 30.644 ( 0.899 -0.000 1.368) 1.637 30.694 ( -2.539 0.000 2.152) 3.328 31.078 ( 6.636 -0.000 -5.919) 8.892 31.328 ( -1.957 0.000 1.740) 2.619 31.570 ( -4.527 0.000 -18.340) 18.890 32.047 ( 7.241 -0.000 -7.011) 10.079 32.079 ( 0.577 -0.000 -0.288) 0.645 32.472 ( 2.412 -0.000 0.264) 2.426 32.628 ( 3.957 -0.000 -12.759) 13.358 33.527 ( 2.969 -0.000 -4.075) 5.042 33.568 ( -6.713 0.000 5.741) 8.833 35.410 ( -1.037 0.000 3.786) 3.925 35.440 ( 2.334 -0.000 -3.660) 4.341 35.650 ( 3.454 -0.000 -4.155) 5.403 35.738 ( -6.412 0.000 3.343) 7.231 36.155 ( 4.810 -0.000 2.593) 5.465 36.354 ( -3.309 0.000 0.468) 3.342 37.577 ( -3.854 0.000 30.271) 30.515 38.465 ( -12.231 0.000 -21.522) 24.755======================= Grid point 230 (112/114) =======================q-point: ( 0.50 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 192Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.504 ( 18.820 -12.092 -3.849) 22.698 1.762 ( 12.419 -24.069 -16.773) 31.858 1.815 ( -14.604 -11.186 3.903) 18.806 1.849 ( -17.335 -18.360 -7.021) 26.208 2.579 ( 22.336 3.688 -10.374) 24.902 2.757 ( -10.012 3.025 5.772) 11.946 2.882 ( 2.473 6.991 4.209) 8.527 2.946 ( 0.151 3.273 -3.380) 4.708 3.340 ( 0.388 5.016 3.005) 5.860 3.380 ( -1.324 2.944 -1.141) 3.424 3.601 ( 7.215 4.733 3.800) 9.429 3.658 ( 7.518 -3.060 5.853) 10.007 3.682 ( -5.370 7.493 -0.268) 9.223 3.895 ( -7.981 -5.568 -4.831) 10.864 4.147 ( 9.924 1.000 5.397) 11.340 4.342 ( -11.022 -0.217 1.404) 11.113 4.590 ( 2.801 3.049 2.750) 4.971 4.612 ( 2.537 3.908 0.240) 4.665 4.767 ( -0.504 -1.966 10.985) 11.171 4.823 ( 1.655 -1.068 6.381) 6.678 4.887 ( 0.381 -5.622 -4.010) 6.916 5.077 ( -10.365 -2.841 -8.435) 13.663 5.214 ( -2.002 1.260 -3.095) 3.895 5.304 ( -7.156 -3.802 -10.253) 13.069 5.640 ( 1.150 0.445 6.416) 6.533 5.692 ( 2.569 1.758 -2.689) 4.114 5.848 ( 1.440 -2.042 2.529) 3.555 5.928 ( -1.241 -2.021 -3.752) 4.439 6.328 ( 1.162 4.845 3.225) 5.935 6.383 ( -0.663 2.739 -2.673) 3.884 7.859 ( -1.836 1.434 -1.286) 2.660 7.893 ( -4.712 -0.302 -1.102) 4.849 8.243 ( 9.307 3.616 3.789) 10.679 8.376 ( -2.454 0.772 -0.704) 2.667 8.888 ( 0.355 -1.445 2.568) 2.968 8.960 ( -3.511 -5.361 -4.005) 7.557 9.107 ( 4.601 -1.130 -4.501) 6.535 9.130 ( -1.036 1.576 2.463) 3.102 9.280 ( -0.577 0.818 -1.205) 1.566 9.330 ( -3.789 2.407 -1.920) 4.882 9.657 ( 5.709 -1.160 -1.720) 6.074 9.717 ( -3.096 -2.104 1.578) 4.063 10.217 ( -1.991 6.569 2.483) 7.300 10.238 ( -0.367 9.554 -3.520) 10.189 10.540 ( -0.334 2.537 5.235) 5.827 10.610 ( 0.271 5.634 -5.539) 7.905 11.148 ( 4.518 -7.128 -1.138) 8.516 11.220 ( -7.781 -3.978 4.613) 9.881 11.418 ( -0.693 -3.099 -0.270) 3.187 11.449 ( -0.591 -1.878 -5.255) 5.612 11.766 ( 3.433 5.105 0.277) 6.158 11.843 ( 0.705 7.962 -7.119) 10.704 12.297 ( 7.011 4.073 -1.480) 8.242 12.334 ( -3.588 2.392 6.214) 7.563 12.480 ( 5.087 1.398 6.055) 8.031 12.627 ( -4.992 5.412 -3.367) 8.096 12.892 ( 1.796 3.388 2.345) 4.495 12.940 ( -2.288 1.672 -0.535) 2.884 13.383 ( 2.239 -4.499 2.289) 5.523 13.492 ( -6.929 -6.520 -4.498) 10.523 13.643 ( 1.016 0.045 -2.288) 2.504 13.650 ( -1.226 -1.263 0.661) 1.880 14.492 ( 10.660 5.142 7.092) 13.798 14.612 ( -1.678 0.686 -1.362) 2.268 14.984 ( 7.283 -10.331 4.922) 13.564 15.095 ( -4.890 -10.935 3.235) 12.408 15.110 ( -1.881 -9.069 4.797) 10.431 15.212 ( -1.355 -11.066 -5.582) 12.468 15.979 ( 8.370 -1.616 2.640) 8.924 16.133 ( -5.419 3.211 -5.901) 8.631 16.405 ( -0.726 1.030 1.299) 1.809 16.440 ( -3.278 -0.916 -0.774) 3.491 16.956 ( 2.886 -1.860 1.806) 3.880 17.015 ( -2.282 -3.821 -1.112) 4.587 17.226 ( 3.350 -5.015 3.911) 7.188 17.342 ( -3.687 -2.610 -6.151) 7.632 19.890 ( 5.572 -2.069 2.785) 6.563 19.985 ( -2.612 0.696 -2.131) 3.442 20.961 ( 2.897 10.071 -1.746) 10.624 20.984 ( -2.672 10.451 1.818) 10.939 22.037 ( -4.065 -10.263 7.378) 13.278 22.076 ( 2.500 -9.310 -8.460) 12.825 23.246 ( -2.430 4.882 2.625) 6.052 23.255 ( 1.013 4.247 -3.787) 5.780 27.028 ( 2.417 -13.235 -0.097) 13.454 27.072 ( -3.909 -16.843 0.927) 17.315 29.345 ( 1.957 16.342 3.120) 16.752 29.405 ( -0.781 13.167 -4.350) 13.889 30.634 ( 6.634 -2.755 9.203) 11.675 30.705 ( -2.893 -2.577 1.213) 4.059 30.796 ( 7.766 -10.497 22.313) 25.853 31.117 ( 3.489 -4.951 -12.654) 14.029 31.371 ( -1.663 -5.093 0.834) 5.422 31.459 ( -5.476 -3.128 -13.784) 15.158 31.920 ( 2.089 12.180 0.814) 12.385 31.969 ( 1.264 9.818 -6.751) 11.982 32.631 ( 3.472 -11.560 1.539) 12.168 32.705 ( 0.059 -11.111 -6.580) 12.913 33.504 ( 2.838 2.853 -2.895) 4.957 33.526 ( -4.918 2.672 3.772) 6.749 35.430 ( -0.777 -0.806 2.791) 3.007 35.441 ( 1.536 -0.606 -2.503) 2.999 35.690 ( 4.798 -3.087 -3.932) 6.928 35.738 ( -6.202 -3.241 3.224) 7.705 36.226 ( 4.806 -2.059 2.316) 5.719 36.321 ( -4.478 -0.473 -0.909) 4.594 37.675 ( 1.624 8.164 31.260) 32.349 38.105 ( -8.616 13.154 -27.940) 32.061======================= Grid point 231 (113/114) =======================q-point: ( 0.62 0.38 -0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 100Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.910 ( -16.870 -15.910 -5.068) 23.736 1.910 ( 16.870 -15.910 5.068) 23.736 2.266 ( 3.983 -29.455 -10.146) 31.407 2.266 ( -3.983 -29.455 10.146) 31.407 2.601 ( -16.884 5.141 2.852) 17.878 2.601 ( 16.884 5.141 -2.852) 17.878 2.876 ( -6.819 -1.013 -5.632) 8.902 2.876 ( 6.819 -1.013 5.632) 8.902 3.243 ( -1.888 8.500 -4.900) 9.991 3.243 ( 1.888 8.500 4.900) 9.991 3.520 ( -0.283 6.020 -1.404) 6.188 3.520 ( 0.283 6.020 1.404) 6.188 3.834 ( -12.484 -0.152 -6.625) 14.134 3.834 ( 12.484 -0.152 6.625) 14.134 4.209 ( -13.186 3.833 -0.804) 13.755 4.209 ( 13.186 3.833 0.804) 13.755 4.558 ( -0.694 3.961 -4.669) 6.162 4.558 ( 0.694 3.961 4.669) 6.162 4.806 ( -1.728 0.867 -5.057) 5.414 4.806 ( 1.728 0.867 5.057) 5.414 4.970 ( -7.247 1.474 -2.892) 7.940 4.970 ( 7.247 1.474 2.892) 7.940 5.362 ( -4.431 -11.030 -7.211) 13.903 5.362 ( 4.431 -11.030 7.211) 13.903 5.652 ( 2.013 1.098 -5.323) 5.796 5.652 ( -2.013 1.098 5.323) 5.796 5.939 ( -2.287 -3.430 -4.464) 6.077 5.939 ( 2.287 -3.430 4.464) 6.077 6.272 ( -2.543 5.621 -4.794) 7.813 6.272 ( 2.543 5.621 4.794) 7.813 7.862 ( -3.450 -0.421 -1.151) 3.662 7.862 ( 3.450 -0.421 1.151) 3.662 8.275 ( -8.675 3.270 -4.983) 10.525 8.275 ( 8.675 3.270 4.983) 10.525 8.981 ( -3.017 -2.750 -7.353) 8.410 8.981 ( 3.017 -2.750 7.353) 8.410 9.104 ( -0.387 2.418 -2.639) 3.600 9.104 ( 0.387 2.418 2.639) 3.600 9.260 ( -1.065 0.819 -0.051) 1.345 9.260 ( 1.065 0.819 0.051) 1.345 9.738 ( 0.188 -2.806 -3.367) 4.387 9.738 ( -0.188 -2.806 3.367) 4.387 10.052 ( -0.711 9.041 -3.606) 9.759 10.052 ( 0.711 9.041 3.606) 9.759 10.494 ( 1.098 4.553 -3.724) 5.984 10.494 ( -1.098 4.553 3.724) 5.984 11.290 ( 3.154 -4.977 -4.810) 7.606 11.290 ( -3.154 -4.977 4.810) 7.606 11.491 ( 1.837 -5.328 -3.543) 6.657 11.491 ( -1.837 -5.328 3.543) 6.657 11.662 ( -0.360 8.326 -1.922) 8.553 11.662 ( 0.360 8.326 1.922) 8.553 12.272 ( -3.907 2.049 1.125) 4.553 12.272 ( 3.907 2.049 -1.125) 4.553 12.509 ( -2.173 1.330 -3.758) 4.540 12.509 ( 2.173 1.330 3.758) 4.540 12.853 ( -2.125 5.433 -3.637) 6.874 12.853 ( 2.125 5.433 3.637) 6.874 13.541 ( -5.273 -6.299 -5.007) 9.621 13.541 ( 5.273 -6.299 5.007) 9.621 13.647 ( 1.713 -0.629 -2.948) 3.467 13.647 ( -1.713 -0.629 2.948) 3.467 14.559 ( -8.269 0.316 -3.826) 9.117 14.559 ( 8.269 0.316 3.826) 9.117 15.129 ( -4.060 -3.900 -5.379) 7.786 15.129 ( 4.060 -3.900 5.379) 7.786 15.410 ( 1.958 -11.156 -5.653) 12.659 15.410 ( -1.958 -11.156 5.653) 12.659 16.051 ( 1.978 -1.273 -1.723) 2.916 16.051 ( -1.978 -1.273 1.723) 2.916 16.425 ( -6.030 -0.769 0.058) 6.079 16.425 ( 6.030 -0.769 -0.058) 6.079 17.043 ( -3.665 -2.905 -2.005) 5.088 17.043 ( 3.665 -2.905 2.005) 5.088 17.364 ( -2.188 -4.842 -3.414) 6.316 17.364 ( 2.188 -4.842 3.414) 6.316 19.980 ( -2.546 -3.533 -0.164) 4.358 19.980 ( 2.546 -3.533 0.164) 4.358 20.753 ( 2.825 13.560 -2.829) 14.137 20.753 ( -2.825 13.560 2.829) 14.137 22.265 ( 3.956 -13.400 -7.200) 15.717 22.265 ( -3.956 -13.400 7.200) 15.717 23.139 ( 2.891 7.209 -5.310) 9.409 23.139 ( -2.891 7.209 5.310) 9.409 27.384 ( -7.344 -21.601 0.399) 22.819 27.384 ( 7.344 -21.601 -0.399) 22.819 29.046 ( -2.394 21.504 -6.359) 22.552 29.046 ( 2.394 21.504 6.359) 22.552 30.761 ( -3.350 -6.397 -0.125) 7.222 30.761 ( 3.350 -6.397 0.125) 7.222 31.144 ( -2.447 -7.518 -18.685) 20.289 31.144 ( 2.447 -7.518 18.685) 20.289 31.450 ( 2.567 -1.788 -2.449) 3.974 31.450 ( -2.567 -1.788 2.449) 3.974 31.753 ( 0.611 8.118 -10.068) 12.948 31.753 ( -0.611 8.118 10.068) 12.948 32.877 ( -1.915 -11.177 -2.626) 11.640 32.877 ( 1.915 -11.177 2.626) 11.640 33.445 ( 2.584 4.592 -4.112) 6.683 33.445 ( -2.584 4.592 4.112) 6.683 35.457 ( 0.970 -1.362 -1.916) 2.543 35.457 ( -0.970 -1.362 1.916) 2.543 35.771 ( 3.372 -3.002 -4.466) 6.351 35.771 ( -3.372 -3.002 4.466) 6.351 36.317 ( -0.631 -3.444 -2.795) 4.480 36.317 ( 0.631 -3.444 2.795) 4.480 37.651 ( -1.943 14.125 -27.145) 30.662 37.651 ( 1.943 14.125 27.145) 30.662======================= Grid point 241 (114/114) =======================q-point: (-0.50 -0.50 0.50)Boundary mean free path (millimeter): 1000.000Mass variance parameters: 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-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 2.32e-04 2.32e-04 Number of triplets: 57Calculating Gamma of ph-isotope with tetrahedron methodFrequency group velocity (x, y, z) |gv| 1.499 ( -19.257 0.000 1.688) 19.331 1.499 ( 19.257 -0.000 -1.688) 19.331 1.608 ( 17.464 -0.000 -8.602) 19.467 1.608 ( -17.464 0.000 8.602) 19.467 2.717 ( 18.179 -0.000 -8.603) 20.112 2.717 ( -18.179 0.000 8.603) 20.112 2.982 ( 0.977 -0.000 -4.044) 4.161 2.982 ( -0.977 0.000 4.044) 4.161 3.397 ( 1.355 -0.000 -3.200) 3.475 3.397 ( -1.355 0.000 3.200) 3.475 3.713 ( 0.836 -0.000 -3.881) 3.970 3.713 ( -0.836 0.000 3.881) 3.970 3.734 ( -0.675 0.000 -0.637) 0.928 3.734 ( 0.675 -0.000 0.637) 0.928 4.254 ( -9.410 0.000 -4.049) 10.244 4.254 ( 9.410 -0.000 4.049) 10.244 4.642 ( 1.713 -0.000 -4.582) 4.892 4.642 ( -1.713 0.000 4.582) 4.892 4.792 ( 1.040 -0.000 -3.656) 3.802 4.792 ( -1.040 0.000 3.656) 3.802 4.901 ( -9.982 0.000 -12.004) 15.612 4.901 ( 9.982 -0.000 12.004) 15.612 5.226 ( -1.531 0.000 -0.583) 1.638 5.226 ( 1.531 -0.000 0.583) 1.638 5.695 ( -0.271 0.000 -6.002) 6.008 5.695 ( 0.271 -0.000 6.002) 6.008 5.862 ( -3.086 0.000 -4.326) 5.314 5.862 ( 3.086 -0.000 4.326) 5.314 6.392 ( 0.076 -0.000 -3.312) 3.312 6.392 ( -0.076 0.000 3.312) 3.312 7.862 ( -0.114 0.000 -0.680) 0.689 7.862 ( 0.114 -0.000 0.680) 0.689 8.351 ( -5.980 0.000 -1.616) 6.195 8.351 ( 5.980 -0.000 1.616) 6.195 8.877 ( 1.712 -0.000 -3.191) 3.621 8.877 ( -1.712 0.000 3.191) 3.621 9.121 ( 5.778 -0.000 -3.020) 6.519 9.121 ( -5.778 0.000 3.020) 6.519 9.313 ( -3.887 0.000 -1.365) 4.120 9.313 ( 3.887 -0.000 1.365) 4.120 9.674 ( 5.794 -0.000 -2.992) 6.521 9.674 ( -5.794 0.000 2.992) 6.521 10.298 ( -1.304 0.000 -3.628) 3.855 10.298 ( 1.304 -0.000 3.628) 3.855 10.619 ( -2.161 0.000 -7.058) 7.382 10.619 ( 2.161 -0.000 7.058) 7.382 11.122 ( -8.460 0.000 1.430) 8.580 11.122 ( 8.460 -0.000 -1.430) 8.580 11.400 ( 0.080 -0.000 -4.018) 4.019 11.400 ( -0.080 0.000 4.018) 4.019 11.863 ( -2.933 0.000 -6.073) 6.744 11.863 ( 2.933 -0.000 6.073) 6.744 12.375 ( 4.507 -0.000 -4.282) 6.217 12.375 ( -4.507 0.000 4.282) 6.217 12.597 ( -8.544 0.000 -6.363) 10.654 12.597 ( 8.544 -0.000 6.363) 10.654 12.936 ( -1.834 0.000 0.265) 1.853 12.936 ( 1.834 -0.000 -0.265) 1.853 13.369 ( -3.225 0.000 -2.222) 3.917 13.369 ( 3.225 -0.000 2.222) 3.917 13.635 ( 0.237 -0.000 -1.766) 1.782 13.635 ( -0.237 0.000 1.766) 1.782 14.628 ( 0.431 -0.000 -0.723) 0.842 14.628 ( -0.431 0.000 0.723) 0.842 14.933 ( -9.937 0.000 -8.493) 13.072 14.933 ( 9.937 -0.000 8.493) 13.072 15.055 ( 1.860 -0.000 -7.379) 7.610 15.055 ( -1.860 0.000 7.379) 7.610 16.065 ( -7.536 0.000 -8.577) 11.417 16.065 ( 7.536 -0.000 8.577) 11.417 16.419 ( -0.279 0.000 -1.421) 1.448 16.419 ( 0.279 -0.000 1.421) 1.448 16.957 ( -1.232 0.000 -1.127) 1.669 16.957 ( 1.232 -0.000 1.127) 1.669 17.244 ( -4.768 0.000 -6.483) 8.048 17.244 ( 4.768 -0.000 6.483) 8.048 19.940 ( -5.374 0.000 -3.871) 6.624 19.940 ( 5.374 -0.000 3.871) 6.624 21.075 ( 2.843 -0.000 -1.333) 3.140 21.075 ( -2.843 0.000 1.333) 3.140 21.955 ( 3.009 -0.000 -8.564) 9.077 21.955 ( -3.009 0.000 8.564) 9.077 23.289 ( 2.619 -0.000 -3.752) 4.576 23.289 ( -2.619 0.000 3.752) 4.576 26.908 ( 0.101 -0.000 -0.076) 0.126 26.908 ( -0.101 0.000 0.076) 0.126 29.512 ( -0.392 0.000 -0.879) 0.963 29.512 ( 0.392 -0.000 0.879) 0.963 30.673 ( -2.091 0.000 0.484) 2.146 30.673 ( 2.091 -0.000 -0.484) 2.146 30.925 ( -5.867 0.000 -32.985) 33.502 30.925 ( 5.867 -0.000 32.985) 33.502 31.334 ( -1.950 0.000 -4.511) 4.915 31.334 ( 1.950 -0.000 4.511) 4.915 32.071 ( 2.838 -0.000 -2.239) 3.615 32.071 ( -2.838 0.000 2.239) 3.615 32.537 ( -0.668 0.000 -6.813) 6.845 32.537 ( 0.668 -0.000 6.813) 6.845 33.537 ( 4.791 -0.000 -4.598) 6.640 33.537 ( -4.791 0.000 4.598) 6.640 35.432 ( 1.911 -0.000 -3.817) 4.268 35.432 ( -1.911 0.000 3.817) 4.268 35.679 ( 5.645 -0.000 -3.225) 6.501 35.679 ( -5.645 0.000 3.225) 6.501 36.266 ( -5.827 0.000 -2.151) 6.211 36.266 ( 5.827 -0.000 2.151) 6.211 37.980 ( -8.542 0.000 -32.150) 33.265 37.980 ( 8.542 -0.000 32.150) 33.265=================== 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 10.0 459.084 274.545 434.806 -0.000 123.942 -0.000 3/41472 20.0 69.780 68.244 67.489 -0.000 13.578 -0.000 3/41472 30.0 28.120 30.145 27.397 -0.000 5.077 -0.000 3/41472 40.0 16.289 17.950 16.092 -0.000 2.883 -0.000 3/41472 50.0 11.184 12.401 11.189 -0.000 1.977 -0.000 3/41472 60.0 8.453 9.354 8.539 -0.000 1.505 -0.000 3/41472 70.0 6.779 7.467 6.894 -0.000 1.219 -0.000 3/41472 80.0 5.656 6.197 5.778 -0.000 1.027 -0.000 3/41472 90.0 4.852 5.292 4.971 -0.000 0.889 -0.000 3/41472 100.0 4.250 4.617 4.363 -0.000 0.785 -0.000 3/41472 110.0 3.784 4.097 3.888 -0.000 0.703 -0.000 3/41472 120.0 3.414 3.686 3.508 -0.000 0.638 -0.000 3/41472 130.0 3.112 3.355 3.198 -0.000 0.585 -0.000 3/41472 140.0 2.863 3.083 2.939 -0.000 0.540 -0.000 3/41472 150.0 2.653 2.857 2.721 -0.000 0.502 -0.000 3/41472 160.0 2.474 2.666 2.535 -0.000 0.470 -0.000 3/41472 170.0 2.321 2.504 2.375 -0.000 0.442 -0.000 3/41472 180.0 2.187 2.365 2.235 -0.000 0.417 -0.000 3/41472 190.0 2.069 2.244 2.113 -0.000 0.395 -0.000 3/41472 200.0 1.966 2.139 2.005 -0.000 0.375 -0.000 3/41472 210.0 1.874 2.046 1.908 -0.000 0.357 -0.000 3/41472 220.0 1.791 1.964 1.823 -0.000 0.340 -0.000 3/41472 230.0 1.717 1.892 1.746 -0.000 0.325 -0.000 3/41472 240.0 1.651 1.827 1.676 -0.000 0.311 -0.000 3/41472 250.0 1.590 1.768 1.613 -0.000 0.299 -0.000 3/41472 260.0 1.535 1.715 1.556 -0.000 0.287 -0.000 3/41472 270.0 1.484 1.667 1.504 -0.000 0.275 -0.000 3/41472 280.0 1.438 1.623 1.456 -0.000 0.265 -0.000 3/41472 290.0 1.395 1.583 1.412 -0.000 0.255 -0.000 3/41472 300.0 1.356 1.545 1.371 -0.000 0.246 -0.000 3/41472 310.0 1.319 1.511 1.334 -0.000 0.237 -0.000 3/41472 320.0 1.285 1.478 1.299 -0.000 0.229 -0.000 3/41472 330.0 1.254 1.448 1.267 -0.000 0.221 -0.000 3/41472 340.0 1.224 1.420 1.236 -0.000 0.213 -0.000 3/41472 350.0 1.196 1.393 1.208 -0.000 0.206 -0.000 3/41472 360.0 1.169 1.367 1.181 -0.000 0.199 -0.000 3/41472 370.0 1.145 1.343 1.156 -0.000 0.193 -0.000 3/41472 380.0 1.121 1.320 1.132 -0.000 0.187 -0.000 3/41472 390.0 1.099 1.298 1.110 -0.000 0.181 -0.000 3/41472 400.0 1.078 1.277 1.088 -0.000 0.176 -0.000 3/41472 410.0 1.057 1.257 1.068 -0.000 0.170 -0.000 3/41472 420.0 1.038 1.237 1.048 -0.000 0.165 -0.000 3/41472 430.0 1.020 1.219 1.030 -0.000 0.160 -0.000 3/41472 440.0 1.002 1.201 1.012 -0.000 0.156 -0.000 3/41472 450.0 0.985 1.183 0.995 -0.000 0.151 -0.000 3/41472 460.0 0.969 1.166 0.979 0.000 0.147 -0.000 3/41472 470.0 0.953 1.150 0.963 0.000 0.143 -0.000 3/41472 480.0 0.938 1.134 0.948 0.000 0.139 -0.000 3/41472 490.0 0.923 1.118 0.933 0.000 0.135 -0.000 3/41472 500.0 0.909 1.103 0.919 0.000 0.132 -0.000 3/41472 510.0 0.896 1.088 0.906 0.000 0.129 -0.000 3/41472 520.0 0.882 1.074 0.892 0.000 0.125 -0.000 3/41472 530.0 0.870 1.060 0.880 0.000 0.122 -0.000 3/41472 540.0 0.857 1.046 0.867 0.000 0.119 -0.000 3/41472 550.0 0.845 1.033 0.855 0.000 0.116 -0.000 3/41472 560.0 0.834 1.020 0.844 0.000 0.114 -0.000 3/41472 570.0 0.822 1.008 0.832 0.000 0.111 -0.000 3/41472 580.0 0.811 0.995 0.821 0.000 0.108 -0.000 3/41472 590.0 0.801 0.983 0.811 0.000 0.106 -0.000 3/41472 600.0 0.790 0.971 0.800 0.000 0.104 -0.000 3/41472 610.0 0.780 0.960 0.790 0.000 0.101 -0.000 3/41472 620.0 0.770 0.948 0.780 0.000 0.099 -0.000 3/41472 630.0 0.760 0.937 0.770 0.000 0.097 -0.000 3/41472 640.0 0.751 0.926 0.761 0.000 0.095 -0.000 3/41472 650.0 0.742 0.916 0.752 0.000 0.093 -0.000 3/41472 660.0 0.733 0.905 0.743 0.000 0.091 -0.000 3/41472 670.0 0.724 0.895 0.734 0.000 0.089 -0.000 3/41472 680.0 0.715 0.885 0.725 0.000 0.088 -0.000 3/41472 690.0 0.707 0.875 0.717 0.000 0.086 -0.000 3/41472 700.0 0.699 0.866 0.709 0.000 0.084 -0.000 3/41472 710.0 0.691 0.856 0.701 0.000 0.083 -0.000 3/41472 720.0 0.683 0.847 0.693 0.000 0.081 -0.000 3/41472 730.0 0.675 0.838 0.685 0.000 0.080 -0.000 3/41472 740.0 0.668 0.829 0.678 0.000 0.078 -0.000 3/41472 750.0 0.660 0.821 0.670 0.000 0.077 -0.000 3/41472 760.0 0.653 0.812 0.663 0.000 0.076 -0.000 3/41472 770.0 0.646 0.804 0.656 0.000 0.074 -0.000 3/41472 780.0 0.639 0.795 0.649 0.000 0.073 -0.000 3/41472 790.0 0.633 0.787 0.642 0.000 0.072 -0.000 3/41472 800.0 0.626 0.779 0.636 0.000 0.071 -0.000 3/41472 810.0 0.619 0.772 0.629 0.000 0.069 -0.000 3/41472 820.0 0.613 0.764 0.623 0.000 0.068 -0.000 3/41472 830.0 0.607 0.756 0.616 0.000 0.067 -0.000 3/41472 840.0 0.601 0.749 0.610 0.000 0.066 -0.000 3/41472 850.0 0.595 0.742 0.604 0.000 0.065 -0.000 3/41472 860.0 0.589 0.735 0.598 0.000 0.064 -0.000 3/41472 870.0 0.583 0.728 0.593 0.000 0.063 -0.000 3/41472 880.0 0.577 0.721 0.587 0.000 0.062 -0.000 3/41472 890.0 0.572 0.714 0.581 0.000 0.061 -0.000 3/41472 900.0 0.566 0.707 0.576 0.000 0.061 -0.000 3/41472 910.0 0.561 0.701 0.570 0.000 0.060 -0.000 3/41472 920.0 0.556 0.694 0.565 0.000 0.059 -0.000 3/41472 930.0 0.551 0.688 0.560 0.000 0.058 -0.000 3/41472 940.0 0.545 0.682 0.555 0.000 0.057 -0.000 3/41472 950.0 0.540 0.676 0.550 0.000 0.057 -0.000 3/41472 960.0 0.535 0.670 0.545 0.000 0.056 -0.000 3/41472 970.0 0.531 0.664 0.540 0.000 0.055 -0.000 3/41472 980.0 0.526 0.658 0.535 0.000 0.054 -0.000 3/41472 990.0 0.521 0.652 0.530 0.000 0.054 -0.000 3/41472 1000.0 0.517 0.647 0.526 0.000 0.053 -0.000 3/41472Thermal conductivity related properties were written into "kappa-m886.hdf5".Summary of calculation was written in "phono3py.yaml".-------------------------[time 2026-01-08 05:04:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|