----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 16:31:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [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 8.288272735910081 -3.548037080000000 0.000000000000000 b 8.288272735910081 3.548037080000000 0.000000000000000 c -5.900917789469388 0.000000000000000 7.965974584400549 Atomic positions (fractional): *1 Li 0.20007662780349 0.79992337219651 0.75000000000000 6.941 2 Li 0.79992337219651 0.20007662780349 0.25000000000000 6.941 *3 La 0.30136091464187 0.69863908535813 0.25000000000000 138.905 4 La 0.69863908535813 0.30136091464187 0.75000000000000 138.905 *5 P 0.81042778585947 0.48780419080745 0.59598513324353 30.974 *6 P 0.07797568185320 0.19820712761927 0.16395957336134 30.974 7 P 0.48780419080745 0.81042778585947 0.09598513324353 30.974 8 P 0.51219580919255 0.18957221414053 0.90401486675647 30.974 9 P 0.19820712761927 0.07797568185320 0.66395957336134 30.974 10 P 0.80179287238073 0.92202431814680 0.33604042663866 30.974 11 P 0.92202431814680 0.80179287238073 0.83604042663866 30.974 12 P 0.18957221414053 0.51219580919255 0.40401486675647 30.974 *13 O 0.89057454842489 0.33800808135875 0.05083732906647 15.999 *14 O 0.25454264169296 0.48571748488077 0.27839088153579 15.999 *15 O 0.27508098119079 0.04651488587574 0.08909704657545 15.999 *16 O 0.33295421022500 0.15333349491956 0.84501690663401 15.999 17 O 0.10942545157511 0.66199191864125 0.94916267093354 15.999 18 O 0.15333349491956 0.33295421022500 0.34501690663401 15.999 19 O 0.84666650508044 0.66704578977500 0.65498309336599 15.999 20 O 0.48571748488077 0.25454264169296 0.77839088153579 15.999 *21 O 0.05773517513325 0.07214170194750 0.20087910685946 15.999 22 O 0.94226482486675 0.92785829805250 0.79912089314054 15.999 23 O 0.95348511412426 0.72491901880921 0.41090295342455 15.999 *24 O 0.32258489594055 0.52695050202422 0.58377645222547 15.999 25 O 0.52695050202422 0.32258489594055 0.08377645222547 15.999 26 O 0.67741510405945 0.47304949797578 0.41622354777453 15.999 27 O 0.66704578977500 0.84666650508044 0.15498309336599 15.999 28 O 0.92785829805250 0.94226482486675 0.29912089314054 15.999 29 O 0.51428251511923 0.74545735830704 0.22160911846421 15.999 30 O 0.66199191864125 0.10942545157511 0.44916267093354 15.999 31 O 0.33800808135875 0.89057454842489 0.55083732906646 15.999 32 O 0.47304949797578 0.67741510405945 0.91622354777453 15.999 33 O 0.72491901880921 0.95348511412426 0.91090295342455 15.999 34 O 0.07214170194750 0.05773517513325 0.70087910685946 15.999 35 O 0.04651488587574 0.27508098119079 0.58909704657545 15.999 36 O 0.74545735830704 0.51428251511923 0.72160911846421 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 16.576545471820161 0.000000000000000 0.000000000000000 b 0.000000000000000 7.096074160000000 0.000000000000000 c -5.900917789469388 0.000000000000000 7.965974584400549 Atomic positions (fractional): *1 Li 0.00000000000000 0.79992337219651 0.75000000000000 6.941 > 1 2 Li 0.00000000000000 0.20007662780349 0.25000000000000 6.941 > 2 3 Li 0.50000000000000 0.29992337219651 0.75000000000000 6.941 > 1 4 Li 0.50000000000000 0.70007662780349 0.25000000000000 6.941 > 2 *5 La 0.00000000000000 0.69863908535813 0.25000000000000 138.905 > 3 6 La 0.00000000000000 0.30136091464187 0.75000000000000 138.905 > 4 7 La 0.50000000000000 0.19863908535813 0.25000000000000 138.905 > 3 8 La 0.50000000000000 0.80136091464187 0.75000000000000 138.905 > 4 *9 P 0.14911598833346 0.33868820247399 0.59598513324353 30.974 > 5 *10 P 0.63809140473624 0.56011572288304 0.16395957336134 30.974 > 6 11 P 0.64911598833346 0.16131179752601 0.09598513324353 30.974 > 7 12 P 0.35088401166654 0.83868820247399 0.90401486675647 30.974 > 8 13 P 0.13809140473623 0.93988427711696 0.66395957336134 30.974 > 9 14 P 0.86190859526376 0.06011572288304 0.33604042663866 30.974 > 10 15 P 0.36190859526377 0.43988427711696 0.83604042663866 30.974 > 11 16 P 0.85088401166654 0.66131179752601 0.40401486675647 30.974 > 12 17 P 0.64911598833346 0.83868820247399 0.59598513324353 30.974 > 5 18 P 0.13809140473623 0.06011572288304 0.16395957336134 30.974 > 6 19 P 0.14911598833346 0.66131179752601 0.09598513324353 30.974 > 7 20 P 0.85088401166654 0.33868820247399 0.90401486675647 30.974 > 8 21 P 0.63809140473624 0.43988427711696 0.66395957336134 30.974 > 9 22 P 0.36190859526377 0.56011572288304 0.33604042663866 30.974 > 10 23 P 0.86190859526376 0.93988427711696 0.83604042663866 30.974 > 11 24 P 0.35088401166654 0.16131179752601 0.40401486675647 30.974 > 12 *25 O 0.61429131489182 0.72371676646693 0.05083732906647 15.999 > 13 *26 O 0.87013006328686 0.61558742159391 0.27839088153579 15.999 > 14 *27 O 0.66079793353326 0.38571695234247 0.08909704657545 15.999 > 15 *28 O 0.24314385257228 0.91018964234728 0.84501690663401 15.999 > 16 29 O 0.38570868510818 0.27628323353307 0.94916267093354 15.999 > 17 30 O 0.74314385257228 0.58981035765272 0.34501690663401 15.999 > 18 31 O 0.25685614742772 0.41018964234728 0.65498309336599 15.999 > 19 32 O 0.37013006328686 0.88441257840609 0.77839088153579 15.999 > 20 *33 O 0.06493843854037 0.00720326340713 0.20087910685946 15.999 > 21 34 O 0.93506156145963 0.99279673659287 0.79912089314054 15.999 > 22 35 O 0.83920206646674 0.88571695234247 0.41090295342455 15.999 > 23 *36 O 0.92476769898238 0.60218280304184 0.58377645222547 15.999 > 24 37 O 0.92476769898238 0.39781719695816 0.08377645222547 15.999 > 25 38 O 0.07523230101761 0.39781719695816 0.41622354777453 15.999 > 26 39 O 0.75685614742772 0.08981035765272 0.15498309336599 15.999 > 27 40 O 0.93506156145963 0.00720326340713 0.29912089314054 15.999 > 28 41 O 0.62986993671314 0.11558742159391 0.22160911846421 15.999 > 29 42 O 0.88570868510818 0.22371676646693 0.44916267093354 15.999 > 30 43 O 0.11429131489182 0.77628323353307 0.55083732906646 15.999 > 31 44 O 0.07523230101761 0.60218280304184 0.91622354777453 15.999 > 32 45 O 0.33920206646674 0.61428304765753 0.91090295342455 15.999 > 33 46 O 0.06493843854037 0.99279673659287 0.70087910685946 15.999 > 34 47 O 0.16079793353326 0.11428304765753 0.58909704657545 15.999 > 35 48 O 0.12986993671314 0.38441257840609 0.72160911846421 15.999 > 36 49 O 0.11429131489182 0.22371676646693 0.05083732906647 15.999 > 13 50 O 0.37013006328686 0.11558742159391 0.27839088153579 15.999 > 14 51 O 0.16079793353326 0.88571695234247 0.08909704657545 15.999 > 15 52 O 0.74314385257228 0.41018964234728 0.84501690663401 15.999 > 16 53 O 0.88570868510818 0.77628323353307 0.94916267093354 15.999 > 17 54 O 0.24314385257228 0.08981035765272 0.34501690663401 15.999 > 18 55 O 0.75685614742772 0.91018964234728 0.65498309336599 15.999 > 19 56 O 0.87013006328686 0.38441257840609 0.77839088153579 15.999 > 20 57 O 0.56493843854037 0.50720326340713 0.20087910685946 15.999 > 21 58 O 0.43506156145963 0.49279673659287 0.79912089314054 15.999 > 22 59 O 0.33920206646674 0.38571695234247 0.41090295342455 15.999 > 23 60 O 0.42476769898238 0.10218280304183 0.58377645222547 15.999 > 24 61 O 0.42476769898238 0.89781719695816 0.08377645222547 15.999 > 25 62 O 0.57523230101762 0.89781719695816 0.41622354777453 15.999 > 26 63 O 0.25685614742772 0.58981035765272 0.15498309336599 15.999 > 27 64 O 0.43506156145963 0.50720326340713 0.29912089314054 15.999 > 28 65 O 0.12986993671314 0.61558742159391 0.22160911846421 15.999 > 29 66 O 0.38570868510818 0.72371676646693 0.44916267093354 15.999 > 30 67 O 0.61429131489182 0.27628323353307 0.55083732906646 15.999 > 31 68 O 0.57523230101762 0.10218280304183 0.91622354777453 15.999 > 32 69 O 0.83920206646674 0.11428304765753 0.91090295342455 15.999 > 33 70 O 0.56493843854037 0.49279673659287 0.70087910685946 15.999 > 34 71 O 0.66079793353326 0.61428304765753 0.58909704657545 15.999 > 35 72 O 0.62986993671314 0.88441257840609 0.72160911846421 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.576545471820161 0.000000000000000 0.000000000000000 b 0.000000000000000 14.192148319999999 0.000000000000000 c -5.900917789469388 0.000000000000000 7.965974584400549 Atomic positions (fractional): *1 Li 0.00000000000000 0.39996168609825 0.75000000000000 6.941 > 1 2 Li 0.00000000000000 0.89996168609825 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.10003831390175 0.25000000000000 6.941 > 2 4 Li 0.00000000000000 0.60003831390175 0.25000000000000 6.941 > 2 5 Li 0.50000000000000 0.14996168609825 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.64996168609825 0.75000000000000 6.941 > 1 7 Li 0.50000000000000 0.35003831390175 0.25000000000000 6.941 > 2 8 Li 0.50000000000000 0.85003831390175 0.25000000000000 6.941 > 2 *9 La 0.00000000000000 0.34931954267906 0.25000000000000 138.905 > 3 10 La 0.00000000000000 0.84931954267906 0.25000000000000 138.905 > 3 11 La 0.00000000000000 0.15068045732094 0.75000000000000 138.905 > 4 12 La 0.00000000000000 0.65068045732094 0.75000000000000 138.905 > 4 13 La 0.50000000000000 0.09931954267906 0.25000000000000 138.905 > 3 14 La 0.50000000000000 0.59931954267906 0.25000000000000 138.905 > 3 15 La 0.50000000000000 0.40068045732094 0.75000000000000 138.905 > 4 16 La 0.50000000000000 0.90068045732094 0.75000000000000 138.905 > 4 *17 P 0.14911598833346 0.16934410123700 0.59598513324353 30.974 > 5 18 P 0.14911598833346 0.66934410123700 0.59598513324353 30.974 > 5 *19 P 0.63809140473624 0.28005786144152 0.16395957336134 30.974 > 6 20 P 0.63809140473624 0.78005786144152 0.16395957336134 30.974 > 6 21 P 0.64911598833346 0.08065589876300 0.09598513324353 30.974 > 7 22 P 0.64911598833346 0.58065589876300 0.09598513324353 30.974 > 7 23 P 0.35088401166654 0.41934410123700 0.90401486675647 30.974 > 8 24 P 0.35088401166654 0.91934410123700 0.90401486675647 30.974 > 8 25 P 0.13809140473623 0.46994213855848 0.66395957336134 30.974 > 9 26 P 0.13809140473623 0.96994213855848 0.66395957336134 30.974 > 9 27 P 0.86190859526376 0.03005786144152 0.33604042663866 30.974 > 10 28 P 0.86190859526376 0.53005786144152 0.33604042663866 30.974 > 10 29 P 0.36190859526377 0.21994213855848 0.83604042663866 30.974 > 11 30 P 0.36190859526377 0.71994213855848 0.83604042663866 30.974 > 11 31 P 0.85088401166654 0.33065589876300 0.40401486675647 30.974 > 12 32 P 0.85088401166654 0.83065589876300 0.40401486675647 30.974 > 12 33 P 0.64911598833346 0.41934410123700 0.59598513324353 30.974 > 5 34 P 0.64911598833346 0.91934410123700 0.59598513324353 30.974 > 5 35 P 0.13809140473623 0.03005786144152 0.16395957336134 30.974 > 6 36 P 0.13809140473623 0.53005786144152 0.16395957336134 30.974 > 6 37 P 0.14911598833346 0.33065589876300 0.09598513324353 30.974 > 7 38 P 0.14911598833346 0.83065589876300 0.09598513324353 30.974 > 7 39 P 0.85088401166654 0.16934410123700 0.90401486675647 30.974 > 8 40 P 0.85088401166654 0.66934410123700 0.90401486675647 30.974 > 8 41 P 0.63809140473624 0.21994213855848 0.66395957336134 30.974 > 9 42 P 0.63809140473624 0.71994213855848 0.66395957336134 30.974 > 9 43 P 0.36190859526377 0.28005786144152 0.33604042663866 30.974 > 10 44 P 0.36190859526377 0.78005786144152 0.33604042663866 30.974 > 10 45 P 0.86190859526376 0.46994213855848 0.83604042663866 30.974 > 11 46 P 0.86190859526376 0.96994213855848 0.83604042663866 30.974 > 11 47 P 0.35088401166654 0.08065589876300 0.40401486675647 30.974 > 12 48 P 0.35088401166654 0.58065589876300 0.40401486675647 30.974 > 12 *49 O 0.61429131489182 0.36185838323346 0.05083732906647 15.999 > 13 50 O 0.61429131489182 0.86185838323346 0.05083732906647 15.999 > 13 *51 O 0.87013006328686 0.30779371079695 0.27839088153579 15.999 > 14 52 O 0.87013006328686 0.80779371079695 0.27839088153579 15.999 > 14 *53 O 0.66079793353326 0.19285847617124 0.08909704657545 15.999 > 15 54 O 0.66079793353326 0.69285847617124 0.08909704657545 15.999 > 15 *55 O 0.24314385257228 0.45509482117364 0.84501690663401 15.999 > 16 56 O 0.24314385257228 0.95509482117364 0.84501690663401 15.999 > 16 57 O 0.38570868510818 0.13814161676654 0.94916267093354 15.999 > 17 58 O 0.38570868510818 0.63814161676654 0.94916267093354 15.999 > 17 59 O 0.74314385257228 0.29490517882636 0.34501690663401 15.999 > 18 60 O 0.74314385257228 0.79490517882636 0.34501690663401 15.999 > 18 61 O 0.25685614742772 0.20509482117364 0.65498309336599 15.999 > 19 62 O 0.25685614742772 0.70509482117364 0.65498309336599 15.999 > 19 63 O 0.37013006328686 0.44220628920305 0.77839088153579 15.999 > 20 64 O 0.37013006328686 0.94220628920305 0.77839088153579 15.999 > 20 *65 O 0.06493843854037 0.00360163170356 0.20087910685946 15.999 > 21 66 O 0.06493843854037 0.50360163170356 0.20087910685946 15.999 > 21 67 O 0.93506156145963 0.49639836829644 0.79912089314054 15.999 > 22 68 O 0.93506156145963 0.99639836829644 0.79912089314054 15.999 > 22 69 O 0.83920206646674 0.44285847617124 0.41090295342455 15.999 > 23 70 O 0.83920206646674 0.94285847617124 0.41090295342455 15.999 > 23 *71 O 0.92476769898238 0.30109140152092 0.58377645222547 15.999 > 24 72 O 0.92476769898238 0.80109140152092 0.58377645222547 15.999 > 24 73 O 0.92476769898238 0.19890859847908 0.08377645222547 15.999 > 25 74 O 0.92476769898238 0.69890859847908 0.08377645222547 15.999 > 25 75 O 0.07523230101761 0.19890859847908 0.41622354777453 15.999 > 26 76 O 0.07523230101761 0.69890859847908 0.41622354777453 15.999 > 26 77 O 0.75685614742772 0.04490517882636 0.15498309336599 15.999 > 27 78 O 0.75685614742772 0.54490517882636 0.15498309336599 15.999 > 27 79 O 0.93506156145963 0.00360163170356 0.29912089314054 15.999 > 28 80 O 0.93506156145963 0.50360163170356 0.29912089314054 15.999 > 28 81 O 0.62986993671314 0.05779371079695 0.22160911846421 15.999 > 29 82 O 0.62986993671314 0.55779371079695 0.22160911846421 15.999 > 29 83 O 0.88570868510818 0.11185838323346 0.44916267093354 15.999 > 30 84 O 0.88570868510818 0.61185838323346 0.44916267093354 15.999 > 30 85 O 0.11429131489182 0.38814161676654 0.55083732906646 15.999 > 31 86 O 0.11429131489182 0.88814161676654 0.55083732906646 15.999 > 31 87 O 0.07523230101761 0.30109140152092 0.91622354777453 15.999 > 32 88 O 0.07523230101761 0.80109140152092 0.91622354777453 15.999 > 32 89 O 0.33920206646674 0.30714152382876 0.91090295342455 15.999 > 33 90 O 0.33920206646674 0.80714152382876 0.91090295342455 15.999 > 33 91 O 0.06493843854037 0.49639836829644 0.70087910685946 15.999 > 34 92 O 0.06493843854037 0.99639836829644 0.70087910685946 15.999 > 34 93 O 0.16079793353326 0.05714152382876 0.58909704657545 15.999 > 35 94 O 0.16079793353326 0.55714152382876 0.58909704657545 15.999 > 35 95 O 0.12986993671314 0.19220628920305 0.72160911846421 15.999 > 36 96 O 0.12986993671314 0.69220628920305 0.72160911846421 15.999 > 36 97 O 0.11429131489182 0.11185838323346 0.05083732906647 15.999 > 13 98 O 0.11429131489182 0.61185838323346 0.05083732906647 15.999 > 13 99 O 0.37013006328686 0.05779371079695 0.27839088153579 15.999 > 14 100 O 0.37013006328686 0.55779371079695 0.27839088153579 15.999 > 14 101 O 0.16079793353326 0.44285847617124 0.08909704657545 15.999 > 15 102 O 0.16079793353326 0.94285847617124 0.08909704657545 15.999 > 15 103 O 0.74314385257228 0.20509482117364 0.84501690663401 15.999 > 16 104 O 0.74314385257228 0.70509482117364 0.84501690663401 15.999 > 16 105 O 0.88570868510818 0.38814161676654 0.94916267093354 15.999 > 17 106 O 0.88570868510818 0.88814161676654 0.94916267093354 15.999 > 17 107 O 0.24314385257228 0.04490517882636 0.34501690663401 15.999 > 18 108 O 0.24314385257228 0.54490517882636 0.34501690663401 15.999 > 18 109 O 0.75685614742772 0.45509482117364 0.65498309336599 15.999 > 19 110 O 0.75685614742772 0.95509482117364 0.65498309336599 15.999 > 19 111 O 0.87013006328686 0.19220628920305 0.77839088153579 15.999 > 20 112 O 0.87013006328686 0.69220628920305 0.77839088153579 15.999 > 20 113 O 0.56493843854037 0.25360163170356 0.20087910685946 15.999 > 21 114 O 0.56493843854037 0.75360163170356 0.20087910685946 15.999 > 21 115 O 0.43506156145963 0.24639836829644 0.79912089314054 15.999 > 22 116 O 0.43506156145963 0.74639836829644 0.79912089314054 15.999 > 22 117 O 0.33920206646674 0.19285847617124 0.41090295342455 15.999 > 23 118 O 0.33920206646674 0.69285847617124 0.41090295342455 15.999 > 23 119 O 0.42476769898238 0.05109140152092 0.58377645222547 15.999 > 24 120 O 0.42476769898238 0.55109140152092 0.58377645222547 15.999 > 24 121 O 0.42476769898238 0.44890859847908 0.08377645222547 15.999 > 25 122 O 0.42476769898238 0.94890859847908 0.08377645222547 15.999 > 25 123 O 0.57523230101762 0.44890859847908 0.41622354777453 15.999 > 26 124 O 0.57523230101762 0.94890859847908 0.41622354777453 15.999 > 26 125 O 0.25685614742772 0.29490517882636 0.15498309336599 15.999 > 27 126 O 0.25685614742772 0.79490517882636 0.15498309336599 15.999 > 27 127 O 0.43506156145963 0.25360163170356 0.29912089314054 15.999 > 28 128 O 0.43506156145963 0.75360163170356 0.29912089314054 15.999 > 28 129 O 0.12986993671314 0.30779371079695 0.22160911846421 15.999 > 29 130 O 0.12986993671314 0.80779371079695 0.22160911846421 15.999 > 29 131 O 0.38570868510818 0.36185838323346 0.44916267093354 15.999 > 30 132 O 0.38570868510818 0.86185838323346 0.44916267093354 15.999 > 30 133 O 0.61429131489182 0.13814161676654 0.55083732906646 15.999 > 31 134 O 0.61429131489182 0.63814161676654 0.55083732906646 15.999 > 31 135 O 0.57523230101762 0.05109140152092 0.91622354777453 15.999 > 32 136 O 0.57523230101762 0.55109140152092 0.91622354777453 15.999 > 32 137 O 0.83920206646674 0.05714152382876 0.91090295342455 15.999 > 33 138 O 0.83920206646674 0.55714152382876 0.91090295342455 15.999 > 33 139 O 0.56493843854037 0.24639836829644 0.70087910685946 15.999 > 34 140 O 0.56493843854037 0.74639836829644 0.70087910685946 15.999 > 34 141 O 0.66079793353326 0.30714152382876 0.58909704657545 15.999 > 35 142 O 0.66079793353326 0.80714152382876 0.58909704657545 15.999 > 35 143 O 0.62986993671314 0.44220628920305 0.72160911846421 15.999 > 36 144 O 0.62986993671314 0.94220628920305 0.72160911846421 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7613953 0.0000000 0.0155430 0.0000000 2.7577286 0.0000000 0.0155194 0.0000000 2.7556945 -------------------------- Born effective charges -------------------------- 1 Li 1.0224116 -0.0000000 -0.0906038 0.0000000 1.0743859 0.0000000 -0.0567362 -0.0000000 1.1769090 2 Li 1.0224116 -0.0000000 -0.0906038 0.0000000 1.0743859 0.0000000 -0.0567362 -0.0000000 1.1769090 3 La 4.4115829 -0.0000000 -0.4233626 0.0000000 4.0704464 0.0000000 -0.5707172 -0.0000000 4.4328332 4 La 4.4115829 -0.0000000 -0.4233626 0.0000000 4.0704464 0.0000000 -0.5707172 -0.0000000 4.4328332 5 P 3.6579274 0.2356295 -0.1509203 0.2365936 3.7810482 -0.3596291 0.7114236 0.0264399 3.4821753 6 P 3.5747709 0.2356319 0.8436310 -0.0314248 3.7083159 0.4386101 0.1115200 -0.3946763 3.4357199 7 P 3.6579274 -0.2356295 -0.1509203 -0.2365936 3.7810482 0.3596291 0.7114236 -0.0264399 3.4821753 8 P 3.6579274 -0.2356295 -0.1509203 -0.2365936 3.7810482 0.3596291 0.7114236 -0.0264399 3.4821753 9 P 3.5747709 -0.2356319 0.8436310 0.0314248 3.7083159 -0.4386101 0.1115200 0.3946763 3.4357199 10 P 3.5747709 -0.2356319 0.8436310 0.0314248 3.7083159 -0.4386101 0.1115200 0.3946763 3.4357199 11 P 3.5747709 0.2356319 0.8436310 -0.0314248 3.7083159 0.4386101 0.1115200 -0.3946763 3.4357199 12 P 3.6579274 0.2356295 -0.1509203 0.2365936 3.7810482 -0.3596291 0.7114236 0.0264399 3.4821753 13 O -1.0209921 -0.0943573 -0.1265182 -0.1775589 -1.6504529 0.6796438 0.0410697 0.7337446 -2.1586424 14 O -2.4172034 -0.0991876 0.5956555 -0.1445976 -1.0959112 0.0061995 0.4240345 -0.0273286 -1.2374155 15 O -1.0871386 0.2456259 0.0798870 0.3981320 -3.0332237 -0.4284367 0.0855986 -0.2322420 -1.0230315 16 O -2.2801574 0.4520997 -1.1060771 0.6201621 -1.0976298 0.4688270 -1.1018579 0.2675670 -1.9763478 17 O -1.0209921 -0.0943573 -0.1265182 -0.1775589 -1.6504529 0.6796438 0.0410697 0.7337446 -2.1586424 18 O -2.2801574 -0.4520997 -1.1060771 -0.6201621 -1.0976298 -0.4688270 -1.1018579 -0.2675670 -1.9763478 19 O -2.2801574 -0.4520997 -1.1060771 -0.6201621 -1.0976298 -0.4688270 -1.1018579 -0.2675670 -1.9763478 20 O -2.4172034 0.0991876 0.5956555 0.1445976 -1.0959112 -0.0061995 0.4240345 0.0273286 -1.2374155 21 O -2.1583869 -0.4732280 0.1973092 -0.3370082 -1.4682522 0.0598354 0.2272421 0.1564537 -1.0882788 22 O -2.1583869 -0.4732280 0.1973092 -0.3370082 -1.4682522 0.0598354 0.2272421 0.1564537 -1.0882788 23 O -1.0871386 -0.2456259 0.0798870 -0.3981320 -3.0332237 0.4284367 0.0855986 0.2322420 -1.0230315 24 O -0.9858171 0.0395291 -0.0759838 0.0437461 -1.7163104 0.6573028 -0.1853040 0.5220288 -2.2390503 25 O -0.9858171 -0.0395291 -0.0759838 -0.0437461 -1.7163104 -0.6573028 -0.1853040 -0.5220288 -2.2390503 26 O -0.9858171 0.0395291 -0.0759838 0.0437461 -1.7163104 0.6573028 -0.1853040 0.5220288 -2.2390503 27 O -2.2801574 0.4520997 -1.1060771 0.6201621 -1.0976298 0.4688270 -1.1018579 0.2675670 -1.9763478 28 O -2.1583869 0.4732280 0.1973092 0.3370082 -1.4682522 -0.0598354 0.2272421 -0.1564537 -1.0882788 29 O -2.4172034 0.0991876 0.5956555 0.1445976 -1.0959112 -0.0061995 0.4240345 0.0273286 -1.2374155 30 O -1.0209921 0.0943573 -0.1265182 0.1775589 -1.6504529 -0.6796438 0.0410697 -0.7337446 -2.1586424 31 O -1.0209921 0.0943573 -0.1265182 0.1775589 -1.6504529 -0.6796438 0.0410697 -0.7337446 -2.1586424 32 O -0.9858171 -0.0395291 -0.0759838 -0.0437461 -1.7163104 -0.6573028 -0.1853040 -0.5220288 -2.2390503 33 O -1.0871386 0.2456259 0.0798870 0.3981320 -3.0332237 -0.4284367 0.0855986 -0.2322420 -1.0230315 34 O -2.1583869 0.4732280 0.1973092 0.3370082 -1.4682522 -0.0598354 0.2272421 -0.1564537 -1.0882788 35 O -1.0871386 -0.2456259 0.0798870 -0.3981320 -3.0332237 0.4284367 0.0855986 0.2322420 -1.0230315 36 O -2.4172034 -0.0991876 0.5956555 -0.1445976 -1.0959112 0.0061995 0.4240345 -0.0273286 -1.2374155 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 265 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 265 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 31), data: (1280, 47) @ (47, 31) |-- (280, 265), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (1280, 1264), data: False |-- (1280, 31), data: (1280, 47) @ (47, 31) |-- (280, 265), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.249 Solver_block: 200 / 1120 - Time: 2.071 Solver_block: 300 / 1120 - Time: 1.938 Solver_block: 400 / 1120 - Time: 1.979 Solver_block: 500 / 1120 - Time: 1.797 Solver_block: 600 / 1120 - Time: 1.807 Solver_block: 700 / 1120 - Time: 1.806 Solver_block: 800 / 1120 - Time: 1.982 Solver_block: 900 / 1120 - Time: 1.951 Solver_block: 1000 / 1120 - Time: 2.082 Solver_block: 1100 / 1120 - Time: 1.979 Solver_block: 1120 / 1120 - Time: 0.556 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 23.000 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 29268/29268 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 6002 Number of blocks in projector: 6002 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1312 Use submatrix version of eigh solver. (1) Block: 500 / 1312 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 1000 / 1312 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1312 / 1312 (1) 303 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 265 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1280 Use submatrix version of eigh solver. (1) Block: 500 / 1280 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1000 / 1280 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1280 / 1280 (1) 265 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 31 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 710 Use submatrix version of eigh solver. (1) Block: 500 / 710 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 18 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 710 / 710 (1) 202 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 8 eigenvectors found. Tree of FC basis block matrices: - (6002, 5921), data: False |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (710, 700), data: False |-- (710, 8), data: (710, 18) @ (18, 8) |-- (210, 202), data: True |-- (500, 490), data: False |-- (500, 8), data: (500, 18) @ (18, 8) |-- (250, 242), data: True |-- (250, 240), data: True |-- (1280, 1264), data: False |-- (1280, 31), data: (1280, 47) @ (47, 31) |-- (280, 265), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (1280, 1264), data: False |-- (1280, 31), data: (1280, 47) @ (47, 31) |-- (280, 265), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 234), data: True |-- (250, 236), data: True |-- (1312, 1293), data: False |-- (1312, 24), data: (1312, 43) @ (43, 24) |-- (312, 303), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 481), data: False |-- (500, 17), data: (500, 36) @ (36, 17) |-- (250, 233), data: True |-- (250, 231), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 16:33:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:33:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.288272735910081 -3.548037080000000 0.000000000000000 b 8.288272735910081 3.548037080000000 0.000000000000000 c -5.900917789469388 0.000000000000000 7.965974584400549 Atomic positions (fractional): 1 Li 0.20007662780349 0.79992337219651 0.75000000000000 6.941 2 Li 0.79992337219651 0.20007662780349 0.25000000000000 6.941 3 La 0.30136091464187 0.69863908535813 0.25000000000000 138.905 4 La 0.69863908535813 0.30136091464187 0.75000000000000 138.905 5 P 0.81042778585947 0.48780419080745 0.59598513324353 30.974 6 P 0.07797568185320 0.19820712761927 0.16395957336134 30.974 7 P 0.48780419080745 0.81042778585947 0.09598513324353 30.974 8 P 0.51219580919255 0.18957221414053 0.90401486675647 30.974 9 P 0.19820712761927 0.07797568185320 0.66395957336134 30.974 10 P 0.80179287238073 0.92202431814680 0.33604042663866 30.974 11 P 0.92202431814680 0.80179287238073 0.83604042663866 30.974 12 P 0.18957221414053 0.51219580919255 0.40401486675647 30.974 13 O 0.89057454842489 0.33800808135875 0.05083732906647 15.999 14 O 0.25454264169296 0.48571748488077 0.27839088153579 15.999 15 O 0.27508098119079 0.04651488587574 0.08909704657545 15.999 16 O 0.33295421022500 0.15333349491956 0.84501690663401 15.999 17 O 0.10942545157511 0.66199191864125 0.94916267093354 15.999 18 O 0.15333349491956 0.33295421022500 0.34501690663401 15.999 19 O 0.84666650508044 0.66704578977500 0.65498309336599 15.999 20 O 0.48571748488077 0.25454264169296 0.77839088153579 15.999 21 O 0.05773517513325 0.07214170194750 0.20087910685946 15.999 22 O 0.94226482486675 0.92785829805250 0.79912089314054 15.999 23 O 0.95348511412426 0.72491901880921 0.41090295342455 15.999 24 O 0.32258489594055 0.52695050202422 0.58377645222547 15.999 25 O 0.52695050202422 0.32258489594055 0.08377645222547 15.999 26 O 0.67741510405945 0.47304949797578 0.41622354777453 15.999 27 O 0.66704578977500 0.84666650508044 0.15498309336599 15.999 28 O 0.92785829805250 0.94226482486675 0.29912089314054 15.999 29 O 0.51428251511923 0.74545735830704 0.22160911846421 15.999 30 O 0.66199191864125 0.10942545157511 0.44916267093354 15.999 31 O 0.33800808135875 0.89057454842489 0.55083732906646 15.999 32 O 0.47304949797578 0.67741510405945 0.91622354777453 15.999 33 O 0.72491901880921 0.95348511412426 0.91090295342455 15.999 34 O 0.07214170194750 0.05773517513325 0.70087910685946 15.999 35 O 0.04651488587574 0.27508098119079 0.58909704657545 15.999 36 O 0.74545735830704 0.51428251511923 0.72160911846421 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.576545471820161 0.000000000000000 0.000000000000000 b 0.000000000000000 14.192148319999999 0.000000000000000 c -5.900917789469388 0.000000000000000 7.965974584400549 Atomic positions (fractional): 1 Li 0.00000000000000 0.39996168609825 0.75000000000000 6.941 > 1 2 Li 0.00000000000000 0.89996168609825 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.10003831390175 0.25000000000000 6.941 > 3 4 Li 0.00000000000000 0.60003831390175 0.25000000000000 6.941 > 3 5 Li 0.50000000000000 0.14996168609825 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.64996168609825 0.75000000000000 6.941 > 1 7 Li 0.50000000000000 0.35003831390175 0.25000000000000 6.941 > 3 8 Li 0.50000000000000 0.85003831390175 0.25000000000000 6.941 > 3 9 La 0.00000000000000 0.34931954267906 0.25000000000000 138.905 > 9 10 La 0.00000000000000 0.84931954267906 0.25000000000000 138.905 > 9 11 La 0.00000000000000 0.15068045732094 0.75000000000000 138.905 > 11 12 La 0.00000000000000 0.65068045732094 0.75000000000000 138.905 > 11 13 La 0.50000000000000 0.09931954267906 0.25000000000000 138.905 > 9 14 La 0.50000000000000 0.59931954267906 0.25000000000000 138.905 > 9 15 La 0.50000000000000 0.40068045732094 0.75000000000000 138.905 > 11 16 La 0.50000000000000 0.90068045732094 0.75000000000000 138.905 > 11 17 P 0.14911598833346 0.16934410123700 0.59598513324353 30.974 > 17 18 P 0.14911598833346 0.66934410123700 0.59598513324353 30.974 > 17 19 P 0.63809140473624 0.28005786144152 0.16395957336134 30.974 > 19 20 P 0.63809140473624 0.78005786144152 0.16395957336134 30.974 > 19 21 P 0.64911598833346 0.08065589876300 0.09598513324353 30.974 > 21 22 P 0.64911598833346 0.58065589876300 0.09598513324353 30.974 > 21 23 P 0.35088401166654 0.41934410123700 0.90401486675647 30.974 > 23 24 P 0.35088401166654 0.91934410123700 0.90401486675647 30.974 > 23 25 P 0.13809140473623 0.46994213855848 0.66395957336134 30.974 > 25 26 P 0.13809140473623 0.96994213855848 0.66395957336134 30.974 > 25 27 P 0.86190859526376 0.03005786144152 0.33604042663866 30.974 > 27 28 P 0.86190859526376 0.53005786144152 0.33604042663866 30.974 > 27 29 P 0.36190859526377 0.21994213855848 0.83604042663866 30.974 > 29 30 P 0.36190859526377 0.71994213855848 0.83604042663866 30.974 > 29 31 P 0.85088401166654 0.33065589876300 0.40401486675647 30.974 > 31 32 P 0.85088401166654 0.83065589876300 0.40401486675647 30.974 > 31 33 P 0.64911598833346 0.41934410123700 0.59598513324353 30.974 > 17 34 P 0.64911598833346 0.91934410123700 0.59598513324353 30.974 > 17 35 P 0.13809140473623 0.03005786144152 0.16395957336134 30.974 > 19 36 P 0.13809140473623 0.53005786144152 0.16395957336134 30.974 > 19 37 P 0.14911598833346 0.33065589876300 0.09598513324353 30.974 > 21 38 P 0.14911598833346 0.83065589876300 0.09598513324353 30.974 > 21 39 P 0.85088401166654 0.16934410123700 0.90401486675647 30.974 > 23 40 P 0.85088401166654 0.66934410123700 0.90401486675647 30.974 > 23 41 P 0.63809140473624 0.21994213855848 0.66395957336134 30.974 > 25 42 P 0.63809140473624 0.71994213855848 0.66395957336134 30.974 > 25 43 P 0.36190859526377 0.28005786144152 0.33604042663866 30.974 > 27 44 P 0.36190859526377 0.78005786144152 0.33604042663866 30.974 > 27 45 P 0.86190859526376 0.46994213855848 0.83604042663866 30.974 > 29 46 P 0.86190859526376 0.96994213855848 0.83604042663866 30.974 > 29 47 P 0.35088401166654 0.08065589876300 0.40401486675647 30.974 > 31 48 P 0.35088401166654 0.58065589876300 0.40401486675647 30.974 > 31 49 O 0.61429131489182 0.36185838323346 0.05083732906647 15.999 > 49 50 O 0.61429131489182 0.86185838323346 0.05083732906647 15.999 > 49 51 O 0.87013006328686 0.30779371079695 0.27839088153579 15.999 > 51 52 O 0.87013006328686 0.80779371079695 0.27839088153579 15.999 > 51 53 O 0.66079793353326 0.19285847617124 0.08909704657545 15.999 > 53 54 O 0.66079793353326 0.69285847617124 0.08909704657545 15.999 > 53 55 O 0.24314385257228 0.45509482117364 0.84501690663401 15.999 > 55 56 O 0.24314385257228 0.95509482117364 0.84501690663401 15.999 > 55 57 O 0.38570868510818 0.13814161676654 0.94916267093354 15.999 > 57 58 O 0.38570868510818 0.63814161676654 0.94916267093354 15.999 > 57 59 O 0.74314385257228 0.29490517882636 0.34501690663401 15.999 > 59 60 O 0.74314385257228 0.79490517882636 0.34501690663401 15.999 > 59 61 O 0.25685614742772 0.20509482117364 0.65498309336599 15.999 > 61 62 O 0.25685614742772 0.70509482117364 0.65498309336599 15.999 > 61 63 O 0.37013006328686 0.44220628920305 0.77839088153579 15.999 > 63 64 O 0.37013006328686 0.94220628920305 0.77839088153579 15.999 > 63 65 O 0.06493843854037 0.00360163170356 0.20087910685946 15.999 > 65 66 O 0.06493843854037 0.50360163170356 0.20087910685946 15.999 > 65 67 O 0.93506156145963 0.49639836829644 0.79912089314054 15.999 > 67 68 O 0.93506156145963 0.99639836829644 0.79912089314054 15.999 > 67 69 O 0.83920206646674 0.44285847617124 0.41090295342455 15.999 > 69 70 O 0.83920206646674 0.94285847617124 0.41090295342455 15.999 > 69 71 O 0.92476769898238 0.30109140152092 0.58377645222547 15.999 > 71 72 O 0.92476769898238 0.80109140152092 0.58377645222547 15.999 > 71 73 O 0.92476769898238 0.19890859847908 0.08377645222547 15.999 > 73 74 O 0.92476769898238 0.69890859847908 0.08377645222547 15.999 > 73 75 O 0.07523230101761 0.19890859847908 0.41622354777453 15.999 > 75 76 O 0.07523230101761 0.69890859847908 0.41622354777453 15.999 > 75 77 O 0.75685614742772 0.04490517882636 0.15498309336599 15.999 > 77 78 O 0.75685614742772 0.54490517882636 0.15498309336599 15.999 > 77 79 O 0.93506156145963 0.00360163170356 0.29912089314054 15.999 > 79 80 O 0.93506156145963 0.50360163170356 0.29912089314054 15.999 > 79 81 O 0.62986993671314 0.05779371079695 0.22160911846421 15.999 > 81 82 O 0.62986993671314 0.55779371079695 0.22160911846421 15.999 > 81 83 O 0.88570868510818 0.11185838323346 0.44916267093354 15.999 > 83 84 O 0.88570868510818 0.61185838323346 0.44916267093354 15.999 > 83 85 O 0.11429131489182 0.38814161676654 0.55083732906646 15.999 > 85 86 O 0.11429131489182 0.88814161676654 0.55083732906646 15.999 > 85 87 O 0.07523230101761 0.30109140152092 0.91622354777453 15.999 > 87 88 O 0.07523230101761 0.80109140152092 0.91622354777453 15.999 > 87 89 O 0.33920206646674 0.30714152382876 0.91090295342455 15.999 > 89 90 O 0.33920206646674 0.80714152382876 0.91090295342455 15.999 > 89 91 O 0.06493843854037 0.49639836829644 0.70087910685946 15.999 > 91 92 O 0.06493843854037 0.99639836829644 0.70087910685946 15.999 > 91 93 O 0.16079793353326 0.05714152382876 0.58909704657545 15.999 > 93 94 O 0.16079793353326 0.55714152382876 0.58909704657545 15.999 > 93 95 O 0.12986993671314 0.19220628920305 0.72160911846421 15.999 > 95 96 O 0.12986993671314 0.69220628920305 0.72160911846421 15.999 > 95 97 O 0.11429131489182 0.11185838323346 0.05083732906647 15.999 > 49 98 O 0.11429131489182 0.61185838323346 0.05083732906647 15.999 > 49 99 O 0.37013006328686 0.05779371079695 0.27839088153579 15.999 > 51 100 O 0.37013006328686 0.55779371079695 0.27839088153579 15.999 > 51 101 O 0.16079793353326 0.44285847617124 0.08909704657545 15.999 > 53 102 O 0.16079793353326 0.94285847617124 0.08909704657545 15.999 > 53 103 O 0.74314385257228 0.20509482117364 0.84501690663401 15.999 > 55 104 O 0.74314385257228 0.70509482117364 0.84501690663401 15.999 > 55 105 O 0.88570868510818 0.38814161676654 0.94916267093354 15.999 > 57 106 O 0.88570868510818 0.88814161676654 0.94916267093354 15.999 > 57 107 O 0.24314385257228 0.04490517882636 0.34501690663401 15.999 > 59 108 O 0.24314385257228 0.54490517882636 0.34501690663401 15.999 > 59 109 O 0.75685614742772 0.45509482117364 0.65498309336599 15.999 > 61 110 O 0.75685614742772 0.95509482117364 0.65498309336599 15.999 > 61 111 O 0.87013006328686 0.19220628920305 0.77839088153579 15.999 > 63 112 O 0.87013006328686 0.69220628920305 0.77839088153579 15.999 > 63 113 O 0.56493843854037 0.25360163170356 0.20087910685946 15.999 > 65 114 O 0.56493843854037 0.75360163170356 0.20087910685946 15.999 > 65 115 O 0.43506156145963 0.24639836829644 0.79912089314054 15.999 > 67 116 O 0.43506156145963 0.74639836829644 0.79912089314054 15.999 > 67 117 O 0.33920206646674 0.19285847617124 0.41090295342455 15.999 > 69 118 O 0.33920206646674 0.69285847617124 0.41090295342455 15.999 > 69 119 O 0.42476769898238 0.05109140152092 0.58377645222547 15.999 > 71 120 O 0.42476769898238 0.55109140152092 0.58377645222547 15.999 > 71 121 O 0.42476769898238 0.44890859847908 0.08377645222547 15.999 > 73 122 O 0.42476769898238 0.94890859847908 0.08377645222547 15.999 > 73 123 O 0.57523230101762 0.44890859847908 0.41622354777453 15.999 > 75 124 O 0.57523230101762 0.94890859847908 0.41622354777453 15.999 > 75 125 O 0.25685614742772 0.29490517882636 0.15498309336599 15.999 > 77 126 O 0.25685614742772 0.79490517882636 0.15498309336599 15.999 > 77 127 O 0.43506156145963 0.25360163170356 0.29912089314054 15.999 > 79 128 O 0.43506156145963 0.75360163170356 0.29912089314054 15.999 > 79 129 O 0.12986993671314 0.30779371079695 0.22160911846421 15.999 > 81 130 O 0.12986993671314 0.80779371079695 0.22160911846421 15.999 > 81 131 O 0.38570868510818 0.36185838323346 0.44916267093354 15.999 > 83 132 O 0.38570868510818 0.86185838323346 0.44916267093354 15.999 > 83 133 O 0.61429131489182 0.13814161676654 0.55083732906646 15.999 > 85 134 O 0.61429131489182 0.63814161676654 0.55083732906646 15.999 > 85 135 O 0.57523230101762 0.05109140152092 0.91622354777453 15.999 > 87 136 O 0.57523230101762 0.55109140152092 0.91622354777453 15.999 > 87 137 O 0.83920206646674 0.05714152382876 0.91090295342455 15.999 > 89 138 O 0.83920206646674 0.55714152382876 0.91090295342455 15.999 > 89 139 O 0.56493843854037 0.24639836829644 0.70087910685946 15.999 > 91 140 O 0.56493843854037 0.74639836829644 0.70087910685946 15.999 > 91 141 O 0.66079793353326 0.30714152382876 0.58909704657545 15.999 > 93 142 O 0.66079793353326 0.80714152382876 0.58909704657545 15.999 > 93 143 O 0.62986993671314 0.44220628920305 0.72160911846421 15.999 > 95 144 O 0.62986993671314 0.94220628920305 0.72160911846421 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.7613953 0.0000000 0.0155430 0.0000000 2.7577286 0.0000000 0.0155194 0.0000000 2.7556945 -------------------------- Born effective charges -------------------------- 1 Li 1.0224116 -0.0000000 -0.0906038 0.0000000 1.0743859 0.0000000 -0.0567362 -0.0000000 1.1769090 2 Li 1.0224116 -0.0000000 -0.0906038 0.0000000 1.0743859 0.0000000 -0.0567362 -0.0000000 1.1769090 3 La 4.4115829 -0.0000000 -0.4233626 0.0000000 4.0704464 0.0000000 -0.5707172 -0.0000000 4.4328332 4 La 4.4115829 -0.0000000 -0.4233626 0.0000000 4.0704464 0.0000000 -0.5707172 -0.0000000 4.4328332 5 P 3.6579274 0.2356295 -0.1509203 0.2365936 3.7810482 -0.3596291 0.7114236 0.0264399 3.4821753 6 P 3.5747709 0.2356319 0.8436310 -0.0314248 3.7083159 0.4386101 0.1115200 -0.3946763 3.4357199 7 P 3.6579274 -0.2356295 -0.1509203 -0.2365936 3.7810482 0.3596291 0.7114236 -0.0264399 3.4821753 8 P 3.6579274 -0.2356295 -0.1509203 -0.2365936 3.7810482 0.3596291 0.7114236 -0.0264399 3.4821753 9 P 3.5747709 -0.2356319 0.8436310 0.0314248 3.7083159 -0.4386101 0.1115200 0.3946763 3.4357199 10 P 3.5747709 -0.2356319 0.8436310 0.0314248 3.7083159 -0.4386101 0.1115200 0.3946763 3.4357199 11 P 3.5747709 0.2356319 0.8436310 -0.0314248 3.7083159 0.4386101 0.1115200 -0.3946763 3.4357199 12 P 3.6579274 0.2356295 -0.1509203 0.2365936 3.7810482 -0.3596291 0.7114236 0.0264399 3.4821753 13 O -1.0209921 -0.0943573 -0.1265182 -0.1775589 -1.6504529 0.6796438 0.0410697 0.7337446 -2.1586424 14 O -2.4172034 -0.0991876 0.5956555 -0.1445976 -1.0959112 0.0061995 0.4240345 -0.0273286 -1.2374155 15 O -1.0871386 0.2456259 0.0798870 0.3981320 -3.0332237 -0.4284367 0.0855986 -0.2322420 -1.0230315 16 O -2.2801574 0.4520997 -1.1060771 0.6201621 -1.0976298 0.4688270 -1.1018579 0.2675670 -1.9763478 17 O -1.0209921 -0.0943573 -0.1265182 -0.1775589 -1.6504529 0.6796438 0.0410697 0.7337446 -2.1586424 18 O -2.2801574 -0.4520997 -1.1060771 -0.6201621 -1.0976298 -0.4688270 -1.1018579 -0.2675670 -1.9763478 19 O -2.2801574 -0.4520997 -1.1060771 -0.6201621 -1.0976298 -0.4688270 -1.1018579 -0.2675670 -1.9763478 20 O -2.4172034 0.0991876 0.5956555 0.1445976 -1.0959112 -0.0061995 0.4240345 0.0273286 -1.2374155 21 O -2.1583869 -0.4732280 0.1973092 -0.3370082 -1.4682522 0.0598354 0.2272421 0.1564537 -1.0882788 22 O -2.1583869 -0.4732280 0.1973092 -0.3370082 -1.4682522 0.0598354 0.2272421 0.1564537 -1.0882788 23 O -1.0871386 -0.2456259 0.0798870 -0.3981320 -3.0332237 0.4284367 0.0855986 0.2322420 -1.0230315 24 O -0.9858171 0.0395291 -0.0759838 0.0437461 -1.7163104 0.6573028 -0.1853040 0.5220288 -2.2390503 25 O -0.9858171 -0.0395291 -0.0759838 -0.0437461 -1.7163104 -0.6573028 -0.1853040 -0.5220288 -2.2390503 26 O -0.9858171 0.0395291 -0.0759838 0.0437461 -1.7163104 0.6573028 -0.1853040 0.5220288 -2.2390503 27 O -2.2801574 0.4520997 -1.1060771 0.6201621 -1.0976298 0.4688270 -1.1018579 0.2675670 -1.9763478 28 O -2.1583869 0.4732280 0.1973092 0.3370082 -1.4682522 -0.0598354 0.2272421 -0.1564537 -1.0882788 29 O -2.4172034 0.0991876 0.5956555 0.1445976 -1.0959112 -0.0061995 0.4240345 0.0273286 -1.2374155 30 O -1.0209921 0.0943573 -0.1265182 0.1775589 -1.6504529 -0.6796438 0.0410697 -0.7337446 -2.1586424 31 O -1.0209921 0.0943573 -0.1265182 0.1775589 -1.6504529 -0.6796438 0.0410697 -0.7337446 -2.1586424 32 O -0.9858171 -0.0395291 -0.0759838 -0.0437461 -1.7163104 -0.6573028 -0.1853040 -0.5220288 -2.2390503 33 O -1.0871386 0.2456259 0.0798870 0.3981320 -3.0332237 -0.4284367 0.0855986 -0.2322420 -1.0230315 34 O -2.1583869 0.4732280 0.1973092 0.3370082 -1.4682522 -0.0598354 0.2272421 -0.1564537 -1.0882788 35 O -1.0871386 -0.2456259 0.0798870 -0.3981320 -3.0332237 0.4284367 0.0855986 0.2322420 -1.0230315 36 O -2.4172034 -0.0991876 0.5956555 -0.1445976 -1.0959112 0.0061995 0.4240345 -0.0273286 -1.2374155 ---------------------------------------------------------------------------- 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 19, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 55, 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] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Computing fc3[ 71, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0060 0.0000 0.0080] [ 0.0060 0.0000 -0.0080] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (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): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:34:08]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 16:34:09]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.288272735910081 -3.548037080000000 0.000000000000000 b 8.288272735910081 3.548037080000000 0.000000000000000 c -5.900917789469388 0.000000000000000 7.965974584400549 Atomic positions (fractional): 1 Li 0.20007662780349 0.79992337219651 0.75000000000000 6.941 2 Li 0.79992337219651 0.20007662780349 0.25000000000000 6.941 3 La 0.30136091464187 0.69863908535813 0.25000000000000 138.905 4 La 0.69863908535813 0.30136091464187 0.75000000000000 138.905 5 P 0.81042778585947 0.48780419080745 0.59598513324353 30.974 6 P 0.07797568185320 0.19820712761927 0.16395957336134 30.974 7 P 0.48780419080745 0.81042778585947 0.09598513324353 30.974 8 P 0.51219580919255 0.18957221414053 0.90401486675647 30.974 9 P 0.19820712761927 0.07797568185320 0.66395957336134 30.974 10 P 0.80179287238073 0.92202431814680 0.33604042663866 30.974 11 P 0.92202431814680 0.80179287238073 0.83604042663866 30.974 12 P 0.18957221414053 0.51219580919255 0.40401486675647 30.974 13 O 0.89057454842489 0.33800808135875 0.05083732906647 15.999 14 O 0.25454264169296 0.48571748488077 0.27839088153579 15.999 15 O 0.27508098119079 0.04651488587574 0.08909704657545 15.999 16 O 0.33295421022500 0.15333349491956 0.84501690663401 15.999 17 O 0.10942545157511 0.66199191864125 0.94916267093354 15.999 18 O 0.15333349491956 0.33295421022500 0.34501690663401 15.999 19 O 0.84666650508044 0.66704578977500 0.65498309336599 15.999 20 O 0.48571748488077 0.25454264169296 0.77839088153579 15.999 21 O 0.05773517513325 0.07214170194750 0.20087910685946 15.999 22 O 0.94226482486675 0.92785829805250 0.79912089314054 15.999 23 O 0.95348511412426 0.72491901880921 0.41090295342455 15.999 24 O 0.32258489594055 0.52695050202422 0.58377645222547 15.999 25 O 0.52695050202422 0.32258489594055 0.08377645222547 15.999 26 O 0.67741510405945 0.47304949797578 0.41622354777453 15.999 27 O 0.66704578977500 0.84666650508044 0.15498309336599 15.999 28 O 0.92785829805250 0.94226482486675 0.29912089314054 15.999 29 O 0.51428251511923 0.74545735830704 0.22160911846421 15.999 30 O 0.66199191864125 0.10942545157511 0.44916267093354 15.999 31 O 0.33800808135875 0.89057454842489 0.55083732906646 15.999 32 O 0.47304949797578 0.67741510405945 0.91622354777453 15.999 33 O 0.72491901880921 0.95348511412426 0.91090295342455 15.999 34 O 0.07214170194750 0.05773517513325 0.70087910685946 15.999 35 O 0.04651488587574 0.27508098119079 0.58909704657545 15.999 36 O 0.74545735830704 0.51428251511923 0.72160911846421 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.576545471820161 0.000000000000000 0.000000000000000 b 0.000000000000000 14.192148319999999 0.000000000000000 c -5.900917789469388 0.000000000000000 7.965974584400549 Atomic positions (fractional): 1 Li 0.00000000000000 0.39996168609825 0.75000000000000 6.941 > 1 2 Li 0.00000000000000 0.89996168609825 0.75000000000000 6.941 > 1 3 Li 0.00000000000000 0.10003831390175 0.25000000000000 6.941 > 3 4 Li 0.00000000000000 0.60003831390175 0.25000000000000 6.941 > 3 5 Li 0.50000000000000 0.14996168609825 0.75000000000000 6.941 > 1 6 Li 0.50000000000000 0.64996168609825 0.75000000000000 6.941 > 1 7 Li 0.50000000000000 0.35003831390175 0.25000000000000 6.941 > 3 8 Li 0.50000000000000 0.85003831390175 0.25000000000000 6.941 > 3 9 La 0.00000000000000 0.34931954267906 0.25000000000000 138.905 > 9 10 La 0.00000000000000 0.84931954267906 0.25000000000000 138.905 > 9 11 La 0.00000000000000 0.15068045732094 0.75000000000000 138.905 > 11 12 La 0.00000000000000 0.65068045732094 0.75000000000000 138.905 > 11 13 La 0.50000000000000 0.09931954267906 0.25000000000000 138.905 > 9 14 La 0.50000000000000 0.59931954267906 0.25000000000000 138.905 > 9 15 La 0.50000000000000 0.40068045732094 0.75000000000000 138.905 > 11 16 La 0.50000000000000 0.90068045732094 0.75000000000000 138.905 > 11 17 P 0.14911598833346 0.16934410123700 0.59598513324353 30.974 > 17 18 P 0.14911598833346 0.66934410123700 0.59598513324353 30.974 > 17 19 P 0.63809140473624 0.28005786144152 0.16395957336134 30.974 > 19 20 P 0.63809140473624 0.78005786144152 0.16395957336134 30.974 > 19 21 P 0.64911598833346 0.08065589876300 0.09598513324353 30.974 > 21 22 P 0.64911598833346 0.58065589876300 0.09598513324353 30.974 > 21 23 P 0.35088401166654 0.41934410123700 0.90401486675647 30.974 > 23 24 P 0.35088401166654 0.91934410123700 0.90401486675647 30.974 > 23 25 P 0.13809140473623 0.46994213855848 0.66395957336134 30.974 > 25 26 P 0.13809140473623 0.96994213855848 0.66395957336134 30.974 > 25 27 P 0.86190859526376 0.03005786144152 0.33604042663866 30.974 > 27 28 P 0.86190859526376 0.53005786144152 0.33604042663866 30.974 > 27 29 P 0.36190859526377 0.21994213855848 0.83604042663866 30.974 > 29 30 P 0.36190859526377 0.71994213855848 0.83604042663866 30.974 > 29 31 P 0.85088401166654 0.33065589876300 0.40401486675647 30.974 > 31 32 P 0.85088401166654 0.83065589876300 0.40401486675647 30.974 > 31 33 P 0.64911598833346 0.41934410123700 0.59598513324353 30.974 > 17 34 P 0.64911598833346 0.91934410123700 0.59598513324353 30.974 > 17 35 P 0.13809140473623 0.03005786144152 0.16395957336134 30.974 > 19 36 P 0.13809140473623 0.53005786144152 0.16395957336134 30.974 > 19 37 P 0.14911598833346 0.33065589876300 0.09598513324353 30.974 > 21 38 P 0.14911598833346 0.83065589876300 0.09598513324353 30.974 > 21 39 P 0.85088401166654 0.16934410123700 0.90401486675647 30.974 > 23 40 P 0.85088401166654 0.66934410123700 0.90401486675647 30.974 > 23 41 P 0.63809140473624 0.21994213855848 0.66395957336134 30.974 > 25 42 P 0.63809140473624 0.71994213855848 0.66395957336134 30.974 > 25 43 P 0.36190859526377 0.28005786144152 0.33604042663866 30.974 > 27 44 P 0.36190859526377 0.78005786144152 0.33604042663866 30.974 > 27 45 P 0.86190859526376 0.46994213855848 0.83604042663866 30.974 > 29 46 P 0.86190859526376 0.96994213855848 0.83604042663866 30.974 > 29 47 P 0.35088401166654 0.08065589876300 0.40401486675647 30.974 > 31 48 P 0.35088401166654 0.58065589876300 0.40401486675647 30.974 > 31 49 O 0.61429131489182 0.36185838323346 0.05083732906647 15.999 > 49 50 O 0.61429131489182 0.86185838323346 0.05083732906647 15.999 > 49 51 O 0.87013006328686 0.30779371079695 0.27839088153579 15.999 > 51 52 O 0.87013006328686 0.80779371079695 0.27839088153579 15.999 > 51 53 O 0.66079793353326 0.19285847617124 0.08909704657545 15.999 > 53 54 O 0.66079793353326 0.69285847617124 0.08909704657545 15.999 > 53 55 O 0.24314385257228 0.45509482117364 0.84501690663401 15.999 > 55 56 O 0.24314385257228 0.95509482117364 0.84501690663401 15.999 > 55 57 O 0.38570868510818 0.13814161676654 0.94916267093354 15.999 > 57 58 O 0.38570868510818 0.63814161676654 0.94916267093354 15.999 > 57 59 O 0.74314385257228 0.29490517882636 0.34501690663401 15.999 > 59 60 O 0.74314385257228 0.79490517882636 0.34501690663401 15.999 > 59 61 O 0.25685614742772 0.20509482117364 0.65498309336599 15.999 > 61 62 O 0.25685614742772 0.70509482117364 0.65498309336599 15.999 > 61 63 O 0.37013006328686 0.44220628920305 0.77839088153579 15.999 > 63 64 O 0.37013006328686 0.94220628920305 0.77839088153579 15.999 > 63 65 O 0.06493843854037 0.00360163170356 0.20087910685946 15.999 > 65 66 O 0.06493843854037 0.50360163170356 0.20087910685946 15.999 > 65 67 O 0.93506156145963 0.49639836829644 0.79912089314054 15.999 > 67 68 O 0.93506156145963 0.99639836829644 0.79912089314054 15.999 > 67 69 O 0.83920206646674 0.44285847617124 0.41090295342455 15.999 > 69 70 O 0.83920206646674 0.94285847617124 0.41090295342455 15.999 > 69 71 O 0.92476769898238 0.30109140152092 0.58377645222547 15.999 > 71 72 O 0.92476769898238 0.80109140152092 0.58377645222547 15.999 > 71 73 O 0.92476769898238 0.19890859847908 0.08377645222547 15.999 > 73 74 O 0.92476769898238 0.69890859847908 0.08377645222547 15.999 > 73 75 O 0.07523230101761 0.19890859847908 0.41622354777453 15.999 > 75 76 O 0.07523230101761 0.69890859847908 0.41622354777453 15.999 > 75 77 O 0.75685614742772 0.04490517882636 0.15498309336599 15.999 > 77 78 O 0.75685614742772 0.54490517882636 0.15498309336599 15.999 > 77 79 O 0.93506156145963 0.00360163170356 0.29912089314054 15.999 > 79 80 O 0.93506156145963 0.50360163170356 0.29912089314054 15.999 > 79 81 O 0.62986993671314 0.05779371079695 0.22160911846421 15.999 > 81 82 O 0.62986993671314 0.55779371079695 0.22160911846421 15.999 > 81 83 O 0.88570868510818 0.11185838323346 0.44916267093354 15.999 > 83 84 O 0.88570868510818 0.61185838323346 0.44916267093354 15.999 > 83 85 O 0.11429131489182 0.38814161676654 0.55083732906646 15.999 > 85 86 O 0.11429131489182 0.88814161676654 0.55083732906646 15.999 > 85 87 O 0.07523230101761 0.30109140152092 0.91622354777453 15.999 > 87 88 O 0.07523230101761 0.80109140152092 0.91622354777453 15.999 > 87 89 O 0.33920206646674 0.30714152382876 0.91090295342455 15.999 > 89 90 O 0.33920206646674 0.80714152382876 0.91090295342455 15.999 > 89 91 O 0.06493843854037 0.49639836829644 0.70087910685946 15.999 > 91 92 O 0.06493843854037 0.99639836829644 0.70087910685946 15.999 > 91 93 O 0.16079793353326 0.05714152382876 0.58909704657545 15.999 > 93 94 O 0.16079793353326 0.55714152382876 0.58909704657545 15.999 > 93 95 O 0.12986993671314 0.19220628920305 0.72160911846421 15.999 > 95 96 O 0.12986993671314 0.69220628920305 0.72160911846421 15.999 > 95 97 O 0.11429131489182 0.11185838323346 0.05083732906647 15.999 > 49 98 O 0.11429131489182 0.61185838323346 0.05083732906647 15.999 > 49 99 O 0.37013006328686 0.05779371079695 0.27839088153579 15.999 > 51 100 O 0.37013006328686 0.55779371079695 0.27839088153579 15.999 > 51 101 O 0.16079793353326 0.44285847617124 0.08909704657545 15.999 > 53 102 O 0.16079793353326 0.94285847617124 0.08909704657545 15.999 > 53 103 O 0.74314385257228 0.20509482117364 0.84501690663401 15.999 > 55 104 O 0.74314385257228 0.70509482117364 0.84501690663401 15.999 > 55 105 O 0.88570868510818 0.38814161676654 0.94916267093354 15.999 > 57 106 O 0.88570868510818 0.88814161676654 0.94916267093354 15.999 > 57 107 O 0.24314385257228 0.04490517882636 0.34501690663401 15.999 > 59 108 O 0.24314385257228 0.54490517882636 0.34501690663401 15.999 > 59 109 O 0.75685614742772 0.45509482117364 0.65498309336599 15.999 > 61 110 O 0.75685614742772 0.95509482117364 0.65498309336599 15.999 > 61 111 O 0.87013006328686 0.19220628920305 0.77839088153579 15.999 > 63 112 O 0.87013006328686 0.69220628920305 0.77839088153579 15.999 > 63 113 O 0.56493843854037 0.25360163170356 0.20087910685946 15.999 > 65 114 O 0.56493843854037 0.75360163170356 0.20087910685946 15.999 > 65 115 O 0.43506156145963 0.24639836829644 0.79912089314054 15.999 > 67 116 O 0.43506156145963 0.74639836829644 0.79912089314054 15.999 > 67 117 O 0.33920206646674 0.19285847617124 0.41090295342455 15.999 > 69 118 O 0.33920206646674 0.69285847617124 0.41090295342455 15.999 > 69 119 O 0.42476769898238 0.05109140152092 0.58377645222547 15.999 > 71 120 O 0.42476769898238 0.55109140152092 0.58377645222547 15.999 > 71 121 O 0.42476769898238 0.44890859847908 0.08377645222547 15.999 > 73 122 O 0.42476769898238 0.94890859847908 0.08377645222547 15.999 > 73 123 O 0.57523230101762 0.44890859847908 0.41622354777453 15.999 > 75 124 O 0.57523230101762 0.94890859847908 0.41622354777453 15.999 > 75 125 O 0.25685614742772 0.29490517882636 0.15498309336599 15.999 > 77 126 O 0.25685614742772 0.79490517882636 0.15498309336599 15.999 > 77 127 O 0.43506156145963 0.25360163170356 0.29912089314054 15.999 > 79 128 O 0.43506156145963 0.75360163170356 0.29912089314054 15.999 > 79 129 O 0.12986993671314 0.30779371079695 0.22160911846421 15.999 > 81 130 O 0.12986993671314 0.80779371079695 0.22160911846421 15.999 > 81 131 O 0.38570868510818 0.36185838323346 0.44916267093354 15.999 > 83 132 O 0.38570868510818 0.86185838323346 0.44916267093354 15.999 > 83 133 O 0.61429131489182 0.13814161676654 0.55083732906646 15.999 > 85 134 O 0.61429131489182 0.63814161676654 0.55083732906646 15.999 > 85 135 O 0.57523230101762 0.05109140152092 0.91622354777453 15.999 > 87 136 O 0.57523230101762 0.55109140152092 0.91622354777453 15.999 > 87 137 O 0.83920206646674 0.05714152382876 0.91090295342455 15.999 > 89 138 O 0.83920206646674 0.55714152382876 0.91090295342455 15.999 > 89 139 O 0.56493843854037 0.24639836829644 0.70087910685946 15.999 > 91 140 O 0.56493843854037 0.74639836829644 0.70087910685946 15.999 > 91 141 O 0.66079793353326 0.30714152382876 0.58909704657545 15.999 > 93 142 O 0.66079793353326 0.80714152382876 0.58909704657545 15.999 > 93 143 O 0.62986993671314 0.44220628920305 0.72160911846421 15.999 > 95 144 O 0.62986993671314 0.94220628920305 0.72160911846421 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.7613953 0.0000000 0.0155430 0.0000000 2.7577286 0.0000000 0.0155194 0.0000000 2.7556945 -------------------------- Born effective charges -------------------------- 1 Li 1.0224116 -0.0000000 -0.0906038 0.0000000 1.0743859 0.0000000 -0.0567362 -0.0000000 1.1769090 2 Li 1.0224116 -0.0000000 -0.0906038 0.0000000 1.0743859 0.0000000 -0.0567362 -0.0000000 1.1769090 3 La 4.4115829 -0.0000000 -0.4233626 0.0000000 4.0704464 0.0000000 -0.5707172 -0.0000000 4.4328332 4 La 4.4115829 -0.0000000 -0.4233626 0.0000000 4.0704464 0.0000000 -0.5707172 -0.0000000 4.4328332 5 P 3.6579274 0.2356295 -0.1509203 0.2365936 3.7810482 -0.3596291 0.7114236 0.0264399 3.4821753 6 P 3.5747709 0.2356319 0.8436310 -0.0314248 3.7083159 0.4386101 0.1115200 -0.3946763 3.4357199 7 P 3.6579274 -0.2356295 -0.1509203 -0.2365936 3.7810482 0.3596291 0.7114236 -0.0264399 3.4821753 8 P 3.6579274 -0.2356295 -0.1509203 -0.2365936 3.7810482 0.3596291 0.7114236 -0.0264399 3.4821753 9 P 3.5747709 -0.2356319 0.8436310 0.0314248 3.7083159 -0.4386101 0.1115200 0.3946763 3.4357199 10 P 3.5747709 -0.2356319 0.8436310 0.0314248 3.7083159 -0.4386101 0.1115200 0.3946763 3.4357199 11 P 3.5747709 0.2356319 0.8436310 -0.0314248 3.7083159 0.4386101 0.1115200 -0.3946763 3.4357199 12 P 3.6579274 0.2356295 -0.1509203 0.2365936 3.7810482 -0.3596291 0.7114236 0.0264399 3.4821753 13 O -1.0209921 -0.0943573 -0.1265182 -0.1775589 -1.6504529 0.6796438 0.0410697 0.7337446 -2.1586424 14 O -2.4172034 -0.0991876 0.5956555 -0.1445976 -1.0959112 0.0061995 0.4240345 -0.0273286 -1.2374155 15 O -1.0871386 0.2456259 0.0798870 0.3981320 -3.0332237 -0.4284367 0.0855986 -0.2322420 -1.0230315 16 O -2.2801574 0.4520997 -1.1060771 0.6201621 -1.0976298 0.4688270 -1.1018579 0.2675670 -1.9763478 17 O -1.0209921 -0.0943573 -0.1265182 -0.1775589 -1.6504529 0.6796438 0.0410697 0.7337446 -2.1586424 18 O -2.2801574 -0.4520997 -1.1060771 -0.6201621 -1.0976298 -0.4688270 -1.1018579 -0.2675670 -1.9763478 19 O -2.2801574 -0.4520997 -1.1060771 -0.6201621 -1.0976298 -0.4688270 -1.1018579 -0.2675670 -1.9763478 20 O -2.4172034 0.0991876 0.5956555 0.1445976 -1.0959112 -0.0061995 0.4240345 0.0273286 -1.2374155 21 O -2.1583869 -0.4732280 0.1973092 -0.3370082 -1.4682522 0.0598354 0.2272421 0.1564537 -1.0882788 22 O -2.1583869 -0.4732280 0.1973092 -0.3370082 -1.4682522 0.0598354 0.2272421 0.1564537 -1.0882788 23 O -1.0871386 -0.2456259 0.0798870 -0.3981320 -3.0332237 0.4284367 0.0855986 0.2322420 -1.0230315 24 O -0.9858171 0.0395291 -0.0759838 0.0437461 -1.7163104 0.6573028 -0.1853040 0.5220288 -2.2390503 25 O -0.9858171 -0.0395291 -0.0759838 -0.0437461 -1.7163104 -0.6573028 -0.1853040 -0.5220288 -2.2390503 26 O -0.9858171 0.0395291 -0.0759838 0.0437461 -1.7163104 0.6573028 -0.1853040 0.5220288 -2.2390503 27 O -2.2801574 0.4520997 -1.1060771 0.6201621 -1.0976298 0.4688270 -1.1018579 0.2675670 -1.9763478 28 O -2.1583869 0.4732280 0.1973092 0.3370082 -1.4682522 -0.0598354 0.2272421 -0.1564537 -1.0882788 29 O -2.4172034 0.0991876 0.5956555 0.1445976 -1.0959112 -0.0061995 0.4240345 0.0273286 -1.2374155 30 O -1.0209921 0.0943573 -0.1265182 0.1775589 -1.6504529 -0.6796438 0.0410697 -0.7337446 -2.1586424 31 O -1.0209921 0.0943573 -0.1265182 0.1775589 -1.6504529 -0.6796438 0.0410697 -0.7337446 -2.1586424 32 O -0.9858171 -0.0395291 -0.0759838 -0.0437461 -1.7163104 -0.6573028 -0.1853040 -0.5220288 -2.2390503 33 O -1.0871386 0.2456259 0.0798870 0.3981320 -3.0332237 -0.4284367 0.0855986 -0.2322420 -1.0230315 34 O -2.1583869 0.4732280 0.1973092 0.3370082 -1.4682522 -0.0598354 0.2272421 -0.1564537 -1.0882788 35 O -1.0871386 -0.2456259 0.0798870 -0.3981320 -3.0332237 0.4284367 0.0855986 0.2322420 -1.0230315 36 O -2.4172034 -0.0991876 0.5956555 -0.1445976 -1.0959112 0.0061995 0.4240345 -0.0273286 -1.2374155 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.53, Number of G-points: 297, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/114) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.836 ( 0.000 0.000 0.000) 0.000 2.240 ( 0.000 0.000 0.000) 0.000 2.371 ( 0.000 0.000 0.000) 0.000 2.598 ( 0.000 0.000 0.000) 0.000 2.992 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.528 ( 0.000 0.000 0.000) 0.000 3.573 ( 0.000 0.000 0.000) 0.000 3.690 ( 0.000 0.000 0.000) 0.000 3.695 ( 0.000 0.000 0.000) 0.000 4.190 ( 0.000 0.000 0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.235 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.619 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.773 ( 0.000 0.000 0.000) 0.000 4.978 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.167 ( 0.000 0.000 0.000) 0.000 5.329 ( 0.000 0.000 0.000) 0.000 5.541 ( 0.000 0.000 0.000) 0.000 5.670 ( 0.000 0.000 0.000) 0.000 5.743 ( 0.000 0.000 0.000) 0.000 6.034 ( 0.000 0.000 0.000) 0.000 6.142 ( 0.000 0.000 0.000) 0.000 7.433 ( 0.000 0.000 0.000) 0.000 7.832 ( 0.000 0.000 0.000) 0.000 7.838 ( 0.000 0.000 0.000) 0.000 7.847 ( 0.000 0.000 0.000) 0.000 8.714 ( 0.000 0.000 0.000) 0.000 8.767 ( 0.000 0.000 0.000) 0.000 8.973 ( 0.000 0.000 0.000) 0.000 9.055 ( 0.000 0.000 0.000) 0.000 9.136 ( 0.000 0.000 0.000) 0.000 9.450 ( 0.000 0.000 0.000) 0.000 9.499 ( 0.000 0.000 0.000) 0.000 9.512 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 10.242 ( 0.000 0.000 0.000) 0.000 10.254 ( 0.000 0.000 0.000) 0.000 10.907 ( 0.000 0.000 0.000) 0.000 11.045 ( 0.000 0.000 0.000) 0.000 11.337 ( 0.000 0.000 0.000) 0.000 11.389 ( 0.000 0.000 0.000) 0.000 11.398 ( 0.000 0.000 0.000) 0.000 11.478 ( 0.000 0.000 0.000) 0.000 11.558 ( 0.000 0.000 0.000) 0.000 11.930 ( 0.000 0.000 0.000) 0.000 12.348 ( 0.000 0.000 0.000) 0.000 12.368 ( 0.000 0.000 0.000) 0.000 12.439 ( 0.000 0.000 0.000) 0.000 13.141 ( 0.000 0.000 0.000) 0.000 13.198 ( 0.000 0.000 0.000) 0.000 13.224 ( 0.000 0.000 0.000) 0.000 13.496 ( 0.000 0.000 0.000) 0.000 13.566 ( 0.000 0.000 0.000) 0.000 13.697 ( 0.000 0.000 0.000) 0.000 14.170 ( 0.000 0.000 0.000) 0.000 14.625 ( 0.000 0.000 0.000) 0.000 14.676 ( 0.000 0.000 0.000) 0.000 14.927 ( 0.000 0.000 0.000) 0.000 14.966 ( 0.000 0.000 0.000) 0.000 15.298 ( 0.000 0.000 0.000) 0.000 15.393 ( 0.000 0.000 0.000) 0.000 16.048 ( 0.000 0.000 0.000) 0.000 16.334 ( 0.000 0.000 0.000) 0.000 16.505 ( 0.000 0.000 0.000) 0.000 16.967 ( 0.000 0.000 0.000) 0.000 16.997 ( 0.000 0.000 0.000) 0.000 17.077 ( 0.000 0.000 0.000) 0.000 17.104 ( 0.000 0.000 0.000) 0.000 19.557 ( 0.000 0.000 0.000) 0.000 19.910 ( 0.000 0.000 0.000) 0.000 20.924 ( 0.000 0.000 0.000) 0.000 21.064 ( 0.000 0.000 0.000) 0.000 21.606 ( 0.000 0.000 0.000) 0.000 22.064 ( 0.000 0.000 0.000) 0.000 23.141 ( 0.000 0.000 0.000) 0.000 23.394 ( 0.000 0.000 0.000) 0.000 26.839 ( 0.000 0.000 0.000) 0.000 26.850 ( 0.000 0.000 0.000) 0.000 29.281 ( 0.000 0.000 0.000) 0.000 29.434 ( 0.000 0.000 0.000) 0.000 29.953 ( 0.000 0.000 0.000) 0.000 30.300 ( 0.000 0.000 0.000) 0.000 30.655 ( 0.000 0.000 0.000) 0.000 30.657 ( 0.000 0.000 0.000) 0.000 31.279 ( 0.000 0.000 0.000) 0.000 31.329 ( 0.000 0.000 0.000) 0.000 31.746 ( 0.000 0.000 0.000) 0.000 31.888 ( 0.000 0.000 0.000) 0.000 32.137 ( 0.000 0.000 0.000) 0.000 32.372 ( 0.000 0.000 0.000) 0.000 33.325 ( 0.000 0.000 0.000) 0.000 33.800 ( 0.000 0.000 0.000) 0.000 35.160 ( 0.000 0.000 0.000) 0.000 35.250 ( 0.000 0.000 0.000) 0.000 35.385 ( 0.000 0.000 0.000) 0.000 35.696 ( 0.000 0.000 0.000) 0.000 35.778 ( 0.000 0.000 0.000) 0.000 35.802 ( 0.000 0.000 0.000) 0.000 36.050 ( 0.000 0.000 0.000) 0.000 37.971 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/114) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 17.865 -22.298 8.149) 29.712 0.690 ( 20.052 -26.372 12.319) 35.346 1.074 ( 11.739 -46.840 19.731) 52.164 1.959 ( 12.241 -5.150 3.437) 13.718 2.344 ( -1.002 -8.331 0.560) 8.410 2.371 ( -0.316 -3.027 6.469) 7.150 2.582 ( 0.538 1.719 -0.434) 1.853 2.854 ( 0.753 11.611 -2.300) 11.861 3.107 ( 3.636 -1.325 3.530) 5.238 3.373 ( 0.883 1.686 -1.244) 2.274 3.451 ( 0.746 5.890 -0.053) 5.937 3.616 ( -9.848 -1.609 -4.160) 10.811 3.658 ( -0.348 0.451 -1.418) 1.528 3.776 ( 3.502 -2.162 -0.784) 4.190 4.104 ( -3.297 7.230 -1.026) 8.012 4.198 ( -0.921 1.517 -4.425) 4.767 4.264 ( -3.354 -0.751 -1.777) 3.869 4.543 ( -1.471 -1.230 -3.638) 4.112 4.732 ( -4.478 -3.612 -15.046) 16.108 4.785 ( -13.554 -5.762 7.267) 16.423 4.908 ( 0.709 -5.209 3.337) 6.227 4.961 ( 2.644 2.142 -8.115) 8.799 5.107 ( -4.210 -0.147 -5.802) 7.170 5.146 ( -0.953 3.956 10.637) 11.389 5.327 ( 0.714 3.225 1.601) 3.671 5.533 ( 4.612 4.436 4.906) 8.064 5.696 ( -2.810 -0.966 4.450) 5.350 5.788 ( 4.949 0.148 2.733) 5.655 5.988 ( -2.788 2.561 -1.428) 4.047 6.184 ( -1.553 -3.046 -1.152) 3.608 7.477 ( 8.105 -0.435 2.554) 8.509 7.729 ( -2.241 2.502 -3.847) 5.107 7.826 ( 0.189 1.025 -1.712) 2.004 7.984 ( 5.730 -4.167 -1.466) 7.235 8.751 ( 0.697 2.345 4.123) 4.794 8.810 ( 4.105 0.621 6.137) 7.409 8.965 ( 2.447 1.675 -0.464) 3.001 9.057 ( 1.946 1.480 -0.362) 2.471 9.124 ( 0.540 2.610 3.584) 4.466 9.432 ( -6.648 -3.000 -0.487) 7.310 9.558 ( -0.648 -1.998 0.417) 2.142 9.599 ( 3.994 -0.471 7.278) 8.315 9.866 ( 8.498 7.873 -2.408) 11.832 10.147 ( -1.310 7.001 -5.619) 9.072 10.246 ( 2.005 3.349 1.910) 4.346 10.732 ( -5.467 10.036 -3.465) 11.942 11.175 ( -7.652 -9.354 -3.915) 12.703 11.320 ( 6.069 6.711 2.420) 9.366 11.390 ( -0.575 0.883 -1.526) 1.855 11.464 ( 2.426 -3.144 4.296) 5.850 11.525 ( 4.071 0.651 7.439) 8.505 11.612 ( 4.807 -0.349 4.173) 6.375 11.926 ( -0.080 -0.129 2.220) 2.225 12.348 ( 0.473 1.357 -0.620) 1.565 12.365 ( 2.165 1.334 0.727) 2.645 12.572 ( 1.474 -1.327 -1.748) 2.644 13.085 ( 0.010 5.258 -1.688) 5.523 13.187 ( -0.330 4.537 -3.294) 5.616 13.246 ( -1.193 -3.568 3.101) 4.876 13.517 ( 0.763 2.126 0.229) 2.270 13.630 ( -5.299 -6.126 -1.885) 8.316 13.773 ( -1.939 -3.541 -4.044) 5.715 14.205 ( 14.958 13.272 16.372) 25.844 14.580 ( 0.175 4.072 0.483) 4.104 14.770 ( 0.738 -9.700 0.500) 9.741 15.086 ( -0.224 -12.853 -0.601) 12.869 15.356 ( -1.764 -7.346 1.687) 7.741 15.434 ( 0.688 -7.233 -2.592) 7.714 15.819 ( -2.098 6.677 -8.917) 11.336 16.001 ( -0.497 8.135 6.337) 10.324 16.458 ( -1.745 4.283 -0.362) 4.639 16.941 ( -3.695 -1.158 -2.489) 4.603 17.016 ( -3.314 -2.297 -5.989) 7.219 17.102 ( -1.093 -2.827 0.927) 3.170 17.113 ( -1.097 -2.525 3.461) 4.422 17.407 ( -22.413 -14.519 -18.395) 32.427 19.625 ( 1.902 -3.433 -0.987) 4.047 19.955 ( -0.961 -6.015 -2.284) 6.506 20.773 ( 0.856 13.050 -0.118) 13.078 21.036 ( 0.118 6.493 -0.335) 6.502 21.712 ( -1.951 -9.492 6.908) 11.901 22.180 ( 0.785 -11.022 0.650) 11.069 23.082 ( -2.543 4.679 -2.044) 5.704 23.387 ( -1.770 3.952 -1.165) 4.484 26.923 ( -0.029 -9.337 0.049) 9.337 27.920 ( -62.164 -42.657 -42.678) 86.634 29.174 ( 6.639 18.666 -0.452) 19.816 29.311 ( 3.383 15.997 2.163) 16.493 30.394 ( 8.959 -6.118 -2.007) 11.032 30.531 ( 13.562 5.644 19.134) 24.123 30.687 ( -0.487 -3.905 -0.530) 3.971 30.827 ( 16.675 4.384 14.520) 22.541 31.368 ( 0.041 -3.501 1.588) 3.844 31.605 ( -4.140 9.068 -0.260) 9.972 31.761 ( -0.513 9.271 0.476) 9.297 32.117 ( -7.012 -10.222 3.214) 12.805 32.467 ( 2.267 -6.706 4.255) 8.259 32.714 ( 59.279 27.529 19.478) 68.200 33.296 ( -0.888 2.601 -0.782) 2.857 33.762 ( -0.644 4.233 0.542) 4.316 35.167 ( 0.504 -0.460 0.165) 0.702 35.264 ( 0.302 -1.282 0.106) 1.322 35.395 ( 0.309 -0.956 -0.027) 1.005 35.692 ( 3.390 0.093 -5.774) 6.696 35.769 ( -4.858 0.694 5.887) 7.664 36.015 ( -2.373 2.105 -2.188) 3.854 36.695 ( -19.613 -18.376 -10.630) 28.902 37.997 ( 0.609 6.100 1.487) 6.308 ======================= Grid point 2 (3/114) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 16.568 -22.463 7.471) 28.895 1.357 ( 19.584 -24.774 9.731) 33.045 1.935 ( 2.558 -28.008 9.609) 29.721 2.146 ( 9.473 -5.994 1.089) 11.262 2.432 ( -3.321 -1.694 -3.821) 5.339 2.516 ( 7.091 -9.376 9.218) 14.938 2.674 ( 3.663 -1.786 -0.700) 4.135 2.785 ( 6.501 -11.183 9.074) 15.801 3.177 ( 2.566 0.479 2.524) 3.631 3.284 ( 0.343 6.072 0.126) 6.083 3.384 ( 3.770 6.347 2.249) 7.717 3.524 ( -7.963 0.478 -0.383) 7.986 3.648 ( -0.771 0.198 -1.953) 2.109 3.791 ( -0.001 2.894 -1.219) 3.141 3.951 ( -2.583 4.959 1.899) 5.905 4.091 ( -1.576 5.661 -6.400) 8.688 4.166 ( -10.872 1.918 -8.733) 14.076 4.513 ( -4.013 1.755 -4.214) 6.078 4.637 ( -7.145 0.290 -2.867) 7.704 4.672 ( -6.088 7.586 -6.247) 11.560 4.925 ( -0.183 2.490 2.756) 3.719 4.968 ( -2.449 -0.742 -0.495) 2.606 5.169 ( -5.193 -12.581 -4.643) 14.380 5.215 ( 1.810 -2.643 9.837) 10.346 5.306 ( 0.944 0.440 0.670) 1.239 5.520 ( 9.593 4.638 1.916) 10.826 5.718 ( 0.282 0.389 3.251) 3.286 5.815 ( 1.025 0.763 3.257) 3.499 5.904 ( -1.119 4.128 -1.865) 4.666 6.167 ( -6.215 -0.036 -5.025) 7.993 7.577 ( 10.409 -0.154 3.441) 10.964 7.692 ( 0.588 -0.345 -1.326) 1.491 7.796 ( -2.243 0.531 -0.744) 2.422 8.067 ( 0.827 -3.809 -2.669) 4.724 8.725 ( -0.696 1.503 -0.226) 1.672 8.860 ( 1.594 0.048 2.307) 2.804 8.949 ( 1.475 2.315 0.525) 2.795 9.008 ( 5.559 4.801 -1.795) 7.561 9.116 ( 0.967 2.239 7.011) 7.423 9.425 ( -5.959 0.096 2.108) 6.322 9.560 ( 2.363 4.922 0.868) 5.528 9.693 ( 2.122 -4.838 2.427) 5.813 9.827 ( -0.181 -2.515 -1.717) 3.050 9.944 ( -1.092 9.885 -3.511) 10.546 10.205 ( 2.045 3.783 -0.049) 4.301 10.520 ( -3.206 7.388 -1.277) 8.154 11.226 ( -6.693 -5.219 -2.889) 8.966 11.265 ( 3.337 3.423 0.474) 4.804 11.383 ( 2.158 -0.090 -2.678) 3.440 11.564 ( 4.260 -1.053 3.901) 5.871 11.593 ( -1.111 -2.076 5.499) 5.982 11.668 ( 4.843 -1.257 2.942) 5.804 12.006 ( 1.810 -6.625 3.133) 7.549 12.311 ( -0.327 1.997 -1.527) 2.535 12.367 ( 2.910 1.248 1.249) 3.404 12.544 ( -3.472 2.935 -1.953) 4.949 12.956 ( 0.682 8.509 -1.549) 8.676 13.034 ( -5.637 7.517 -1.983) 9.603 13.337 ( 0.556 -6.012 -1.947) 6.344 13.538 ( 1.991 -2.386 2.538) 4.012 13.669 ( -5.566 -3.148 -0.612) 6.424 13.810 ( -1.746 -5.410 -3.154) 6.501 14.204 ( 13.578 9.650 12.912) 21.076 14.548 ( 0.385 -0.588 -0.913) 1.152 14.962 ( 2.084 -9.135 2.504) 9.699 15.257 ( -5.645 -9.726 -4.143) 11.985 15.475 ( -4.665 -3.320 -3.454) 6.687 15.596 ( -0.489 -9.724 -1.073) 9.795 15.686 ( 3.010 2.549 -1.450) 4.202 15.875 ( 4.093 5.063 4.743) 8.055 16.340 ( -2.291 6.694 0.590) 7.100 16.932 ( -4.400 0.088 -4.555) 6.333 16.941 ( -8.975 -2.388 -4.518) 10.328 17.138 ( -3.488 -2.174 2.126) 4.628 17.212 ( 3.730 -2.988 4.292) 6.424 17.377 ( -4.054 -2.673 -9.956) 11.077 19.724 ( 3.764 -5.884 -0.831) 7.034 20.070 ( -1.417 -9.543 -3.514) 10.268 20.536 ( 0.784 14.206 0.407) 14.233 20.854 ( -0.008 12.630 0.199) 12.631 21.959 ( -1.172 -14.797 4.752) 15.585 22.420 ( 0.936 -14.125 0.789) 14.178 22.930 ( -3.285 8.077 -2.702) 9.129 23.266 ( -0.672 7.785 -0.511) 7.831 27.162 ( 0.795 -17.061 0.381) 17.084 27.983 ( -28.375 -22.663 -18.996) 40.983 28.849 ( 2.414 21.486 0.688) 21.632 29.000 ( 5.767 22.632 1.697) 23.417 30.556 ( 5.614 -5.459 -1.434) 7.960 30.649 ( -4.658 -8.811 1.216) 10.041 30.783 ( -1.416 -8.187 -0.849) 8.351 30.992 ( 9.084 -3.993 7.271) 12.301 31.397 ( -2.196 5.184 -3.905) 6.851 31.473 ( 0.339 -0.058 6.719) 6.728 31.565 ( 2.335 13.007 0.746) 13.236 32.244 ( 0.004 -4.043 5.384) 6.733 32.642 ( 8.492 -4.420 5.644) 11.113 32.823 ( 18.010 0.219 2.822) 18.231 33.219 ( -1.181 4.293 -1.217) 4.616 33.649 ( -1.451 8.019 0.954) 8.205 35.184 ( 0.810 -0.640 0.253) 1.063 35.297 ( 0.025 -1.967 0.593) 2.055 35.421 ( 0.849 -1.463 0.063) 1.693 35.681 ( 5.313 -0.033 -9.370) 10.771 35.754 ( -6.757 0.575 8.920) 11.205 35.927 ( -3.714 3.207 -3.232) 5.876 36.856 ( -10.526 -18.030 -7.087) 22.048 37.856 ( 4.605 14.130 4.946) 15.663 ======================= Grid point 3 (4/114) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.672 ( 11.960 -20.100 5.073) 23.933 1.929 ( 18.821 -16.358 6.961) 25.890 2.129 ( -1.965 -4.470 -2.967) 5.713 2.322 ( 0.631 -4.199 1.776) 4.603 2.481 ( -1.057 -7.446 -4.204) 8.616 2.678 ( 4.821 -0.666 1.518) 5.098 2.967 ( 4.083 -16.150 13.780) 21.619 3.011 ( -2.160 3.623 -0.073) 4.219 3.112 ( -5.364 4.150 -3.017) 7.423 3.230 ( 9.241 -1.456 0.797) 9.389 3.386 ( 9.999 1.282 6.787) 12.153 3.517 ( -3.212 -0.615 2.318) 4.009 3.567 ( -1.539 5.482 -2.924) 6.401 3.722 ( -4.098 -0.136 4.691) 6.231 3.877 ( -9.182 4.360 1.057) 10.220 3.969 ( -7.225 0.772 -11.785) 13.845 4.036 ( 6.506 -1.782 -0.234) 6.750 4.360 ( -8.211 5.662 -6.726) 12.030 4.481 ( -0.539 5.303 1.004) 5.424 4.653 ( -3.536 -3.963 1.873) 5.632 4.895 ( -1.456 0.563 -1.000) 1.855 4.939 ( -1.985 2.520 1.868) 3.712 5.250 ( -6.539 -2.489 -6.196) 9.346 5.269 ( 1.432 1.021 4.166) 4.522 5.313 ( 0.183 1.484 0.980) 1.788 5.579 ( 11.329 -2.169 -0.003) 11.535 5.735 ( 2.673 0.428 4.688) 5.414 5.809 ( -1.214 2.999 0.474) 3.270 5.844 ( 0.781 -0.568 -0.420) 1.053 6.043 ( -9.692 2.713 -7.475) 12.537 7.649 ( 5.882 0.250 0.804) 5.942 7.729 ( 7.052 1.010 3.631) 7.995 7.773 ( -3.871 -1.444 -1.295) 4.330 8.080 ( -4.796 -1.149 -4.275) 6.526 8.719 ( 1.350 -1.559 -0.797) 2.211 8.851 ( 1.639 1.865 -1.164) 2.743 8.897 ( 1.177 4.085 0.653) 4.301 8.986 ( 1.230 0.478 -2.008) 2.403 9.145 ( 1.093 0.151 8.421) 8.493 9.345 ( -0.302 6.833 -0.084) 6.840 9.493 ( -1.416 0.136 -0.207) 1.438 9.693 ( -0.740 8.970 -5.125) 10.357 9.847 ( -0.806 -8.165 4.450) 9.334 9.946 ( 0.463 -3.662 2.353) 4.378 10.127 ( 0.205 5.130 -2.884) 5.889 10.431 ( 0.467 2.404 1.889) 3.093 11.221 ( -1.058 0.189 -0.897) 1.400 11.279 ( 1.014 -1.825 -0.013) 2.088 11.388 ( 1.690 -0.320 -2.323) 2.891 11.602 ( 1.945 0.654 2.403) 3.160 11.616 ( -1.955 -0.242 1.837) 2.693 11.795 ( 5.142 -4.694 4.927) 8.530 12.178 ( 0.150 -8.665 1.100) 8.735 12.268 ( 1.183 0.886 -3.284) 3.601 12.366 ( -0.452 1.458 -0.026) 1.527 12.446 ( -2.555 2.455 1.246) 3.756 12.783 ( -0.346 9.249 -2.158) 9.503 12.845 ( -4.234 8.022 -1.112) 9.139 13.425 ( 0.520 -4.921 -3.746) 6.206 13.613 ( -1.517 -2.912 -1.547) 3.630 13.677 ( -0.499 -0.364 5.714) 5.748 13.913 ( -3.041 -9.606 -0.694) 10.100 14.177 ( 11.117 10.601 7.543) 17.114 14.576 ( 0.536 -2.090 -3.351) 3.985 15.122 ( 0.039 -5.737 0.982) 5.821 15.283 ( -5.536 -3.131 -2.882) 6.982 15.456 ( -0.767 -2.117 -2.484) 3.353 15.513 ( -2.679 11.538 2.653) 12.138 15.801 ( -1.855 -12.357 -3.473) 12.969 16.025 ( 9.671 -1.464 3.188) 10.288 16.261 ( 2.346 -0.968 4.846) 5.471 16.768 ( -11.369 4.695 -7.326) 14.317 16.964 ( -2.010 -3.196 -1.084) 3.928 17.143 ( -2.452 0.252 1.729) 3.011 17.288 ( 1.685 -0.663 2.587) 3.158 17.349 ( 0.829 -1.032 -5.402) 5.561 19.875 ( 3.111 -8.872 -1.432) 9.510 20.221 ( -2.517 -10.175 -1.737) 10.625 20.298 ( 1.203 12.645 -0.803) 12.727 20.627 ( 0.050 13.163 1.426) 13.240 22.238 ( -0.504 -14.546 3.321) 14.928 22.672 ( 0.387 -11.194 -1.377) 11.285 22.736 ( -2.192 7.871 -0.521) 8.187 23.105 ( 0.126 10.031 -0.123) 10.032 27.526 ( 2.052 -22.108 0.975) 22.224 28.072 ( -15.241 -14.657 -9.532) 23.194 28.458 ( -1.033 23.234 -1.349) 23.296 28.687 ( 6.569 18.053 2.940) 19.434 30.659 ( 0.462 -5.272 -1.492) 5.499 30.748 ( -2.605 -4.345 -0.742) 5.120 30.940 ( -1.761 -10.781 -0.078) 10.924 31.145 ( 4.182 -3.862 2.319) 6.146 31.263 ( -0.988 5.010 -1.697) 5.382 31.355 ( 1.786 12.031 0.631) 12.179 31.541 ( 0.739 -1.281 4.302) 4.549 32.320 ( 2.260 -0.667 4.141) 4.764 32.786 ( 7.589 -1.854 2.889) 8.329 33.003 ( 3.717 -9.948 -0.514) 10.632 33.129 ( -0.454 3.562 -1.363) 3.841 33.475 ( -2.101 10.601 1.198) 10.874 35.201 ( 0.620 -0.414 0.196) 0.771 35.332 ( -0.114 -1.459 0.547) 1.562 35.455 ( 1.199 -1.217 0.160) 1.716 35.677 ( 4.522 -0.786 -7.151) 8.497 35.745 ( -5.468 0.544 7.349) 9.176 35.825 ( -3.050 2.813 -3.035) 5.141 37.082 ( -7.913 -19.500 -6.513) 22.029 37.633 ( 6.058 18.737 6.148) 20.630 ======================= Grid point 4 (5/114) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( 0.000 -0.000 0.000) 0.000 2.153 ( 0.000 0.000 0.000) 0.000 2.194 ( -0.000 -0.000 -0.000) 0.000 2.386 ( -0.000 -0.000 0.000) 0.000 2.500 ( 0.000 -0.000 0.000) 0.000 2.736 ( 0.000 -0.000 0.000) 0.000 2.887 ( 0.000 -0.000 -0.000) 0.000 3.005 ( 0.000 -0.000 -0.000) 0.000 3.227 ( -0.000 -0.000 0.000) 0.000 3.265 ( 0.000 -0.000 -0.000) 0.000 3.431 ( 0.000 -0.000 0.000) 0.000 3.481 ( -0.000 -0.000 0.000) 0.000 3.535 ( -0.000 -0.000 0.000) 0.000 3.727 ( 0.000 -0.000 0.000) 0.000 3.751 ( 0.000 -0.000 0.000) 0.000 3.941 ( 0.000 -0.000 0.000) 0.000 4.182 ( -0.000 0.000 -0.000) 0.000 4.183 ( 0.000 -0.000 0.000) 0.000 4.454 ( -0.000 -0.000 0.000) 0.000 4.717 ( 0.000 -0.000 0.000) 0.000 4.866 ( 0.000 -0.000 0.000) 0.000 4.889 ( 0.000 -0.000 0.000) 0.000 5.180 ( 0.000 -0.000 0.000) 0.000 5.284 ( -0.000 -0.000 0.000) 0.000 5.295 ( 0.000 -0.000 0.000) 0.000 5.679 ( 0.000 -0.000 0.000) 0.000 5.754 ( 0.000 -0.000 0.000) 0.000 5.794 ( 0.000 -0.000 0.000) 0.000 5.871 ( 0.000 -0.000 0.000) 0.000 5.902 ( -0.000 -0.000 -0.000) 0.000 7.675 ( 0.000 -0.000 0.000) 0.000 7.753 ( 0.000 -0.000 0.000) 0.000 7.781 ( -0.000 -0.000 -0.000) 0.000 8.038 ( 0.000 -0.000 0.000) 0.000 8.758 ( 0.000 -0.000 0.000) 0.000 8.829 ( 0.000 -0.000 -0.000) 0.000 8.859 ( 0.000 -0.000 0.000) 0.000 8.979 ( 0.000 -0.000 0.000) 0.000 9.209 ( -0.000 -0.000 0.000) 0.000 9.238 ( 0.000 0.000 -0.000) 0.000 9.537 ( 0.000 -0.000 0.000) 0.000 9.545 ( 0.000 0.000 -0.000) 0.000 9.974 ( 0.000 -0.000 0.000) 0.000 10.009 ( 0.000 -0.000 0.000) 0.000 10.012 ( 0.000 0.000 -0.000) 0.000 10.423 ( 0.000 -0.000 0.000) 0.000 11.212 ( 0.000 -0.000 0.000) 0.000 11.307 ( 0.000 -0.000 0.000) 0.000 11.389 ( 0.000 -0.000 0.000) 0.000 11.609 ( -0.000 -0.000 -0.000) 0.000 11.613 ( 0.000 0.000 0.000) 0.000 11.890 ( 0.000 -0.000 0.000) 0.000 12.225 ( 0.000 -0.000 -0.000) 0.000 12.298 ( -0.000 -0.000 0.000) 0.000 12.335 ( 0.000 -0.000 -0.000) 0.000 12.445 ( 0.000 -0.000 0.000) 0.000 12.675 ( 0.000 -0.000 0.000) 0.000 12.729 ( -0.000 -0.000 -0.000) 0.000 13.465 ( -0.000 -0.000 0.000) 0.000 13.610 ( 0.000 -0.000 0.000) 0.000 13.707 ( 0.000 -0.000 0.000) 0.000 14.056 ( 0.000 -0.000 -0.000) 0.000 14.090 ( 0.000 -0.000 0.000) 0.000 14.578 ( 0.000 -0.000 0.000) 0.000 15.172 ( 0.000 -0.000 0.000) 0.000 15.334 ( 0.000 0.000 0.000) 0.000 15.351 ( 0.000 -0.000 -0.000) 0.000 15.467 ( 0.000 -0.000 0.000) 0.000 15.938 ( 0.000 0.000 0.000) 0.000 16.000 ( 0.000 -0.000 -0.000) 0.000 16.430 ( 0.000 -0.000 0.000) 0.000 16.575 ( -0.000 0.000 -0.000) 0.000 16.988 ( 0.000 -0.000 0.000) 0.000 17.130 ( 0.000 -0.000 0.000) 0.000 17.301 ( 0.000 -0.000 0.000) 0.000 17.354 ( 0.000 -0.000 -0.000) 0.000 20.048 ( -0.000 0.000 0.000) 0.000 20.088 ( 0.000 -0.000 -0.000) 0.000 20.381 ( 0.000 -0.000 -0.000) 0.000 20.441 ( 0.000 0.000 0.000) 0.000 22.469 ( 0.000 -0.000 0.000) 0.000 22.525 ( 0.000 0.000 -0.000) 0.000 22.901 ( -0.000 -0.000 0.000) 0.000 22.923 ( 0.000 -0.000 0.000) 0.000 27.898 ( 0.000 -0.000 0.000) 0.000 28.043 ( 0.000 -0.000 0.000) 0.000 28.166 ( 0.000 -0.000 0.000) 0.000 28.546 ( 0.000 -0.000 0.000) 0.000 30.722 ( 0.000 -0.000 0.000) 0.000 30.756 ( 0.000 0.000 0.000) 0.000 31.096 ( 0.000 0.000 0.000) 0.000 31.153 ( 0.000 -0.000 0.000) 0.000 31.217 ( 0.000 -0.000 0.000) 0.000 31.233 ( -0.000 0.000 -0.000) 0.000 31.568 ( 0.000 -0.000 0.000) 0.000 32.347 ( 0.000 -0.000 0.000) 0.000 32.842 ( 0.000 -0.000 0.000) 0.000 33.072 ( 0.000 -0.000 0.000) 0.000 33.187 ( 0.000 -0.000 -0.000) 0.000 33.309 ( 0.000 0.000 -0.000) 0.000 35.207 ( 0.000 -0.000 0.000) 0.000 35.347 ( 0.000 -0.000 0.000) 0.000 35.473 ( 0.000 -0.000 0.000) 0.000 35.693 ( -0.000 -0.000 0.000) 0.000 35.729 ( 0.000 -0.000 -0.000) 0.000 35.777 ( -0.000 -0.000 0.000) 0.000 37.298 ( 0.000 0.000 0.000) 0.000 37.415 ( -0.000 -0.000 -0.000) 0.000 ======================= Grid point 10 (6/114) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 21.885 -0.000 23.729) 32.280 0.607 ( 23.559 -0.000 21.163) 31.668 1.116 ( 42.858 -0.000 37.742) 57.107 2.105 ( 24.120 -0.000 9.265) 25.838 2.221 ( -7.248 0.000 6.186) 9.529 2.426 ( 1.942 -0.000 6.278) 6.572 2.592 ( 0.003 -0.000 -0.638) 0.638 2.966 ( -1.620 0.000 -2.713) 3.160 3.168 ( 6.277 -0.000 5.609) 8.418 3.392 ( 1.590 -0.000 -1.482) 2.174 3.448 ( 0.465 -0.000 -11.670) 11.679 3.509 ( -5.090 0.000 -2.600) 5.716 3.666 ( -2.572 0.000 -2.550) 3.622 3.727 ( 0.908 -0.000 -2.369) 2.538 4.122 ( -1.118 0.000 -12.255) 12.306 4.170 ( -2.389 0.000 -0.769) 2.509 4.223 ( -8.449 0.000 0.032) 8.449 4.484 ( -1.898 0.000 -2.711) 3.309 4.530 ( -3.189 0.000 -2.373) 3.975 4.725 ( -2.360 0.000 6.497) 6.912 4.930 ( 2.120 -0.000 -13.781) 13.943 4.930 ( -0.114 0.000 -6.743) 6.744 4.979 ( -6.374 0.000 8.261) 10.434 5.210 ( -10.980 0.000 12.973) 16.996 5.368 ( -1.861 0.000 -1.987) 2.722 5.647 ( -0.467 0.000 8.713) 8.726 5.696 ( -1.321 0.000 5.393) 5.552 5.848 ( 3.867 -0.000 3.818) 5.434 5.945 ( -4.291 0.000 -3.751) 5.699 6.176 ( 3.042 -0.000 0.954) 3.188 7.566 ( 11.653 -0.000 2.372) 11.892 7.728 ( -1.250 0.000 -8.835) 8.923 7.801 ( -0.703 0.000 -1.727) 1.864 8.009 ( 7.185 -0.000 -1.650) 7.372 8.769 ( -1.378 0.000 2.212) 2.607 8.946 ( -2.000 0.000 5.017) 5.401 9.007 ( 4.762 -0.000 -0.653) 4.806 9.080 ( 3.122 -0.000 1.771) 3.589 9.194 ( 2.355 -0.000 5.875) 6.329 9.355 ( -7.872 0.000 -0.698) 7.903 9.493 ( -3.019 0.000 4.398) 5.335 9.670 ( 3.094 -0.000 7.273) 7.904 10.037 ( 1.683 -0.000 -15.956) 16.045 10.161 ( -1.442 0.000 -7.470) 7.608 10.309 ( 3.036 -0.000 0.295) 3.050 10.749 ( -8.223 0.000 -6.309) 10.365 11.001 ( -5.312 0.000 0.424) 5.329 11.373 ( -3.817 0.000 -3.094) 4.914 11.423 ( 0.364 -0.000 4.811) 4.825 11.474 ( 4.009 -0.000 1.029) 4.139 11.592 ( 6.190 -0.000 -2.015) 6.510 11.935 ( -1.307 0.000 2.302) 2.648 11.941 ( 3.827 -0.000 22.157) 22.485 12.374 ( 1.407 -0.000 -0.544) 1.509 12.474 ( 4.287 -0.000 -11.678) 12.440 12.503 ( 3.998 -0.000 4.222) 5.814 13.098 ( -2.615 0.000 -4.302) 5.035 13.210 ( 4.642 -0.000 -5.194) 6.966 13.340 ( -6.669 0.000 3.546) 7.553 13.433 ( -5.935 0.000 -1.673) 6.166 13.553 ( -0.394 0.000 -1.837) 1.879 13.703 ( -0.094 0.000 1.149) 1.153 14.634 ( 0.327 -0.000 1.515) 1.550 14.640 ( -0.190 0.000 2.580) 2.587 14.830 ( -3.004 0.000 -5.559) 6.319 14.993 ( -2.438 0.000 2.364) 3.396 15.094 ( 4.957 -0.000 5.640) 7.509 15.291 ( -2.046 0.000 1.772) 2.707 15.844 ( -9.985 0.000 -14.002) 17.197 16.067 ( 5.026 -0.000 -2.753) 5.730 16.413 ( 1.252 -0.000 5.733) 5.868 16.480 ( -4.607 0.000 2.341) 5.167 16.914 ( -2.206 0.000 -1.160) 2.492 17.053 ( -1.332 0.000 -2.236) 2.603 17.081 ( -3.460 0.000 0.849) 3.563 17.140 ( 4.794 -0.000 6.532) 8.102 19.608 ( 6.228 -0.000 0.421) 6.242 19.887 ( -0.373 0.000 -3.542) 3.562 20.935 ( 1.053 -0.000 0.471) 1.153 21.060 ( 0.150 -0.000 -0.978) 0.989 21.650 ( -6.269 0.000 7.914) 10.096 22.075 ( 0.839 -0.000 0.788) 1.152 23.142 ( -0.198 0.000 0.513) 0.550 23.390 ( -0.328 0.000 -0.039) 0.330 26.838 ( -0.085 0.000 -0.075) 0.113 26.848 ( -0.126 0.000 -0.061) 0.140 29.394 ( 4.175 -0.000 0.325) 4.188 29.451 ( 0.984 -0.000 1.524) 1.814 30.231 ( -4.614 0.000 -5.529) 7.201 30.624 ( -2.744 0.000 -1.667) 3.210 30.631 ( -2.239 0.000 -1.605) 2.755 31.239 ( -3.066 0.000 -1.694) 3.503 31.268 ( -3.387 0.000 -4.833) 5.902 31.713 ( -6.464 0.000 11.187) 12.921 31.803 ( 4.381 -0.000 2.994) 5.306 32.018 ( 2.050 -0.000 1.815) 2.738 32.383 ( 0.416 -0.000 1.322) 1.386 33.302 ( -1.829 0.000 -1.570) 2.411 33.797 ( -0.959 0.000 0.641) 1.154 34.418 ( 25.080 -0.000 -34.290) 42.483 35.168 ( 0.343 -0.000 0.813) 0.882 35.267 ( 6.897 -0.000 -9.079) 11.401 35.390 ( 1.247 -0.000 -0.748) 1.454 35.704 ( -23.155 0.000 30.120) 37.992 35.768 ( -3.652 0.000 -0.919) 3.766 35.774 ( -2.407 0.000 2.590) 3.536 36.000 ( -2.316 0.000 -4.887) 5.407 38.074 ( 7.575 -0.000 6.909) 10.252 ======================= Grid point 11 (7/114) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.991 ( 17.950 -14.443 14.975) 27.478 1.125 ( 20.500 -19.339 11.651) 30.496 1.788 ( 30.842 -16.568 32.033) 47.454 2.176 ( -0.504 0.799 5.151) 5.237 2.417 ( 13.293 -1.982 -1.226) 13.496 2.502 ( 4.765 -5.308 12.068) 14.019 2.603 ( 1.679 -2.152 2.919) 3.996 2.852 ( 3.034 5.320 -0.903) 6.190 3.230 ( 3.922 0.686 2.746) 4.836 3.355 ( -1.458 3.539 -4.072) 5.589 3.412 ( -2.781 -2.492 -5.234) 6.430 3.499 ( 2.196 -1.398 -0.099) 2.605 3.618 ( -2.070 0.251 -1.924) 2.837 3.778 ( 0.243 -3.738 -1.829) 4.169 4.018 ( -3.298 0.447 -17.050) 17.372 4.046 ( -11.523 7.497 3.169) 14.108 4.141 ( -5.137 2.365 -2.634) 6.238 4.475 ( -2.532 -0.364 -3.185) 4.085 4.504 ( -10.360 -2.438 -1.838) 10.800 4.683 ( -7.227 3.857 -6.269) 10.316 4.859 ( -5.626 -3.070 -8.846) 10.923 4.935 ( 0.503 -6.527 1.746) 6.775 5.030 ( 0.900 2.888 7.307) 7.908 5.240 ( -0.759 -3.305 9.866) 10.432 5.345 ( 1.040 1.788 1.188) 2.385 5.657 ( 1.103 2.535 5.580) 6.227 5.718 ( -1.438 -0.598 1.080) 1.896 5.831 ( -8.027 -1.498 0.364) 8.174 5.940 ( 5.690 3.108 0.652) 6.517 6.171 ( 1.553 3.549 -1.440) 4.133 7.632 ( 2.973 -0.038 -0.099) 2.975 7.698 ( 2.252 -1.165 -1.973) 3.213 7.812 ( 6.466 1.268 1.395) 6.735 8.043 ( 3.048 -0.153 -2.007) 3.652 8.745 ( -1.975 2.274 1.009) 3.176 8.916 ( -0.239 2.905 2.932) 4.134 9.007 ( 3.551 2.680 -0.238) 4.455 9.128 ( 6.594 2.783 0.482) 7.173 9.213 ( 1.550 2.239 8.136) 8.580 9.330 ( -7.888 -4.196 0.614) 8.955 9.556 ( -2.028 -4.762 6.959) 8.672 9.750 ( 1.022 -3.311 3.791) 5.135 9.832 ( 1.682 10.947 -10.152) 15.024 10.073 ( 0.586 5.947 -6.426) 8.775 10.291 ( 2.546 3.639 -1.063) 4.567 10.602 ( -3.406 6.295 -2.804) 7.687 11.031 ( -6.376 -6.927 -1.302) 9.505 11.307 ( -4.046 1.150 -2.306) 4.797 11.427 ( 5.039 2.631 0.518) 5.708 11.544 ( 0.835 -3.165 4.520) 5.581 11.634 ( 5.500 0.240 0.381) 5.518 11.870 ( 11.291 9.899 1.570) 15.098 11.992 ( 1.227 1.435 15.913) 16.025 12.349 ( 0.575 2.886 -0.831) 3.058 12.419 ( 2.559 1.170 -0.176) 2.819 12.558 ( -1.123 1.478 -0.262) 1.874 13.023 ( -4.208 2.358 -5.231) 7.115 13.116 ( -1.299 8.589 -4.305) 9.695 13.264 ( 0.463 -1.891 0.723) 2.077 13.496 ( -6.142 -5.627 -0.856) 8.374 13.558 ( -0.163 -3.545 1.975) 4.061 13.728 ( -0.892 -1.099 -1.582) 2.123 14.569 ( 5.311 8.923 5.070) 11.556 14.583 ( 3.348 8.593 4.719) 10.359 14.792 ( 0.852 -11.648 0.774) 11.704 15.054 ( -3.028 -7.828 -1.710) 8.565 15.284 ( -3.681 -9.143 -3.784) 10.557 15.422 ( -5.990 -9.090 -0.138) 10.887 15.694 ( 2.892 -0.857 -8.487) 9.007 16.041 ( -0.134 6.943 3.489) 7.771 16.408 ( -3.883 3.668 -0.168) 5.345 16.659 ( -14.110 -13.826 -8.196) 21.388 16.900 ( -0.203 -0.430 -1.146) 1.241 17.059 ( -3.464 -3.134 -0.667) 4.719 17.140 ( -2.646 -8.340 -1.859) 8.945 17.243 ( 4.589 -3.227 3.527) 6.626 19.690 ( 7.074 -2.449 -0.081) 7.487 19.904 ( -0.657 -5.184 -4.495) 6.893 20.789 ( 1.147 13.026 0.269) 13.079 21.032 ( 0.118 6.296 -0.541) 6.321 21.740 ( -3.455 -10.458 5.433) 12.281 22.201 ( 0.838 -11.187 0.793) 11.246 23.047 ( -0.304 8.368 0.070) 8.373 23.361 ( -0.567 3.602 -0.221) 3.653 26.924 ( 0.158 -9.995 0.165) 9.997 27.191 ( -13.000 -30.740 -9.468) 34.693 29.226 ( 1.355 18.700 0.063) 18.749 29.371 ( 3.883 12.204 2.488) 13.046 30.322 ( -4.402 -14.867 -5.081) 16.316 30.580 ( -3.454 0.118 -1.329) 3.703 30.644 ( -3.121 -4.499 -2.172) 5.890 31.093 ( 3.791 4.777 0.691) 6.138 31.306 ( -5.278 -4.735 -4.195) 8.238 31.618 ( -0.550 8.433 5.903) 10.308 31.790 ( 2.450 8.850 1.456) 9.298 32.139 ( 0.964 -8.912 4.375) 9.974 32.501 ( 0.744 -10.186 1.920) 10.392 33.251 ( -2.461 2.894 -2.034) 4.309 33.656 ( 31.539 46.568 4.451) 56.419 33.763 ( 0.793 8.623 3.531) 9.352 35.182 ( 0.961 -0.482 0.263) 1.106 35.272 ( 0.628 -1.146 -0.186) 1.320 35.404 ( 0.880 -1.044 0.177) 1.377 35.665 ( 5.498 0.146 -10.703) 12.033 35.762 ( -8.700 0.388 11.363) 14.316 35.909 ( -5.934 0.851 -4.073) 7.248 36.283 ( -15.868 -30.739 -7.274) 35.349 38.125 ( 8.045 7.088 7.721) 13.213 ======================= Grid point 12 (8/114) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( 13.713 -18.143 8.047) 24.125 1.633 ( 12.399 -19.521 -0.397) 23.129 2.165 ( 1.308 -1.465 3.678) 4.170 2.329 ( 12.005 -3.473 16.978) 21.082 2.421 ( 6.208 1.812 -6.681) 9.299 2.723 ( 6.945 -4.613 3.947) 9.225 2.781 ( 6.674 -13.531 8.427) 17.281 2.987 ( 3.619 -6.793 10.865) 13.315 3.163 ( -4.827 8.096 -3.946) 10.219 3.252 ( 1.284 0.051 -4.235) 4.425 3.453 ( -0.086 -3.018 3.455) 4.589 3.547 ( 4.454 1.394 5.081) 6.899 3.613 ( 2.027 -0.955 -3.770) 4.385 3.781 ( -2.171 4.695 4.922) 7.140 3.834 ( -12.461 1.228 -6.142) 13.946 3.894 ( -3.963 2.464 -8.521) 9.715 4.076 ( 2.914 1.423 1.123) 3.432 4.344 ( -12.689 4.568 -4.294) 14.153 4.488 ( -6.200 -2.969 -5.858) 9.032 4.566 ( -1.278 0.365 1.137) 1.749 4.834 ( -5.495 -2.959 -4.881) 7.923 4.965 ( 1.077 1.572 -0.435) 1.955 5.101 ( -3.162 -4.406 0.404) 5.438 5.319 ( 0.340 2.009 3.138) 3.741 5.368 ( 3.362 -1.612 6.491) 7.485 5.647 ( 1.013 0.942 0.805) 1.600 5.729 ( 0.225 -2.935 -0.499) 2.986 5.833 ( -3.182 -1.897 2.080) 4.249 5.885 ( 1.613 6.258 1.711) 6.685 6.049 ( -1.124 7.969 -5.043) 9.497 7.670 ( 2.538 -1.051 1.503) 3.131 7.701 ( -3.171 -0.828 -2.547) 4.151 7.871 ( 12.017 2.445 3.458) 12.742 8.025 ( -2.295 0.421 -3.791) 4.452 8.704 ( -0.329 0.563 -0.396) 0.763 8.875 ( -0.914 1.669 -2.018) 2.774 8.976 ( 2.296 3.133 0.205) 3.890 9.071 ( 4.280 6.283 0.268) 7.607 9.223 ( -0.660 3.213 6.099) 6.925 9.355 ( -6.186 -2.808 1.317) 6.920 9.594 ( 3.497 8.354 -4.710) 10.207 9.723 ( -2.209 -7.317 6.945) 10.328 9.838 ( 1.685 -0.341 3.979) 4.334 9.905 ( 0.321 7.285 -3.387) 8.040 10.220 ( 2.177 5.429 -2.312) 6.289 10.495 ( 0.627 3.807 0.655) 3.914 11.110 ( -4.157 -6.959 -1.823) 8.308 11.277 ( -1.210 -1.275 -0.910) 1.979 11.417 ( 5.887 2.884 -1.893) 6.823 11.614 ( -0.350 -1.186 4.199) 4.377 11.651 ( 1.616 1.583 1.965) 2.997 11.869 ( 10.267 1.521 5.210) 11.613 12.088 ( 2.479 -3.003 6.986) 7.998 12.293 ( 0.082 2.823 -1.482) 3.190 12.396 ( -2.395 3.112 -1.288) 4.133 12.484 ( -0.796 2.757 1.510) 3.243 12.895 ( -7.410 4.910 -3.804) 9.668 12.932 ( -0.356 8.216 -4.071) 9.176 13.324 ( 1.918 -3.873 -4.302) 6.098 13.542 ( -3.644 -4.259 1.335) 5.762 13.672 ( 1.022 -4.121 6.163) 7.484 13.741 ( -2.915 -5.076 -2.631) 6.417 14.469 ( 1.028 4.949 -1.371) 5.237 14.542 ( 6.197 6.052 3.578) 9.371 15.000 ( -0.717 -8.834 2.203) 9.133 15.153 ( -3.409 -6.073 -2.463) 7.387 15.363 ( -4.376 -6.337 -1.802) 7.909 15.482 ( -8.200 -9.959 -4.614) 13.700 15.756 ( 6.444 4.884 0.541) 8.104 16.033 ( 8.873 -5.524 4.087) 11.222 16.301 ( -4.070 4.012 1.518) 5.913 16.634 ( -14.501 -3.062 -8.537) 17.104 16.918 ( 1.788 -1.405 -0.666) 2.369 17.089 ( -4.573 -3.428 0.706) 5.758 17.235 ( -1.628 -5.266 -3.496) 6.527 17.331 ( 3.638 -1.491 1.455) 4.192 19.790 ( 5.760 -3.783 -0.790) 6.936 20.005 ( -0.978 -9.534 -4.434) 10.560 20.554 ( 0.709 14.431 0.673) 14.464 20.856 ( -0.136 12.060 0.393) 12.067 21.984 ( -1.806 -15.278 3.731) 15.830 22.437 ( 0.496 -13.762 0.314) 13.775 22.881 ( -0.669 9.565 -0.375) 9.596 23.260 ( 0.113 7.328 0.156) 7.331 27.185 ( 1.484 -18.250 0.696) 18.323 27.520 ( -13.226 -24.578 -9.631) 29.526 28.845 ( -1.479 22.724 -2.101) 22.869 29.141 ( 7.947 19.978 5.367) 22.161 30.531 ( -2.073 -11.321 -3.299) 11.972 30.583 ( -4.184 -5.700 -0.619) 7.098 30.727 ( -3.902 -9.699 -2.092) 10.661 31.123 ( 4.011 -2.708 0.024) 4.839 31.297 ( -4.108 -0.637 -4.332) 6.004 31.514 ( -1.274 5.465 2.770) 6.258 31.623 ( 1.891 11.515 2.083) 11.853 32.319 ( 1.365 -6.665 5.226) 8.579 32.726 ( 1.625 -12.055 2.207) 12.363 33.134 ( 0.998 8.461 -1.042) 8.584 33.293 ( 19.470 21.231 4.452) 29.149 33.635 ( -2.394 8.526 1.814) 9.039 35.199 ( 0.765 -0.465 -0.006) 0.895 35.304 ( 0.026 -1.912 0.403) 1.954 35.437 ( 0.667 -1.577 0.182) 1.722 35.654 ( 5.151 -0.745 -8.803) 10.227 35.754 ( -6.569 0.391 8.983) 11.135 35.822 ( -3.964 1.803 -3.485) 5.578 36.597 ( -11.079 -23.209 -7.585) 26.813 38.025 ( 7.457 15.299 7.307) 18.522 ======================= Grid point 13 (9/114) ======================= q-point: ( 0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.866 ( 6.714 -12.158 1.362) 13.955 1.963 ( 1.177 -11.907 -5.537) 13.184 2.255 ( -2.771 -7.939 -2.150) 8.679 2.393 ( 10.781 3.841 7.156) 13.498 2.524 ( 5.438 -0.413 3.941) 6.728 2.735 ( 2.198 5.099 -5.319) 7.689 2.941 ( -3.903 3.189 -0.147) 5.042 2.974 ( -6.374 1.451 5.325) 8.431 3.170 ( 0.553 -6.598 4.944) 8.263 3.258 ( 0.801 0.794 -10.777) 10.836 3.490 ( -0.111 0.676 0.461) 0.826 3.579 ( -0.634 2.910 6.390) 7.050 3.587 ( 3.960 4.128 2.760) 6.351 3.737 ( 1.275 0.779 -1.568) 2.166 3.762 ( 2.398 0.932 1.689) 3.078 3.889 ( 0.164 -6.220 7.576) 9.804 4.153 ( -10.211 3.957 -2.547) 11.243 4.168 ( 5.046 -5.698 4.010) 8.603 4.439 ( -2.876 0.217 -5.401) 6.123 4.663 ( 2.273 -6.815 2.312) 7.547 4.829 ( -4.065 -3.230 -0.425) 5.209 4.910 ( -1.058 5.141 -4.753) 7.081 5.076 ( -5.968 -1.665 -5.170) 8.070 5.303 ( 0.366 0.580 0.175) 0.708 5.399 ( 4.450 4.162 4.859) 7.793 5.671 ( 1.541 -2.427 -1.389) 3.193 5.757 ( -5.173 5.054 -1.220) 7.334 5.845 ( 0.353 0.716 -3.902) 3.983 5.864 ( 0.635 1.921 -0.147) 2.029 5.878 ( 1.983 -2.493 6.960) 7.654 7.649 ( -6.177 0.714 -2.319) 6.637 7.700 ( 0.566 -0.061 -0.767) 0.956 7.870 ( 1.084 3.851 -2.412) 4.672 8.049 ( 7.570 -2.298 3.782) 8.769 8.717 ( 0.123 -1.770 -1.561) 2.363 8.827 ( -1.597 0.435 -3.255) 3.652 8.937 ( 2.326 4.636 1.845) 5.505 9.007 ( 2.809 3.389 -0.320) 4.413 9.187 ( -3.912 0.653 4.315) 5.861 9.289 ( -3.176 4.152 -5.695) 7.730 9.539 ( 4.027 1.247 4.486) 6.156 9.691 ( 1.888 9.585 2.102) 9.993 9.910 ( -6.008 -4.881 -0.199) 7.743 9.914 ( 1.704 -5.982 4.345) 7.588 10.112 ( 2.560 6.973 -2.529) 7.847 10.458 ( 1.297 2.695 0.530) 3.037 11.167 ( -2.430 -3.273 -1.451) 4.327 11.320 ( 0.746 -2.543 1.435) 3.014 11.388 ( 2.786 2.198 -3.028) 4.665 11.618 ( 3.279 3.427 1.149) 4.880 11.654 ( -0.854 -0.327 3.299) 3.423 11.952 ( 4.415 2.398 4.421) 6.693 12.179 ( -1.493 -3.456 0.483) 3.796 12.265 ( 3.146 -1.829 -3.483) 5.037 12.323 ( -2.440 0.764 3.446) 4.291 12.485 ( 2.351 0.174 2.004) 3.094 12.722 ( -3.921 5.702 -2.162) 7.250 12.776 ( -2.208 6.757 -2.673) 7.595 13.375 ( 0.713 -5.120 -5.945) 7.878 13.607 ( -2.472 -2.946 3.659) 5.309 13.739 ( 2.141 -0.149 3.089) 3.761 13.828 ( -5.547 -7.592 -2.041) 9.621 14.368 ( 7.042 13.724 1.393) 15.488 14.496 ( -4.348 -4.358 -4.542) 7.650 15.113 ( -1.455 -5.576 2.787) 6.402 15.214 ( -1.674 -4.607 -2.257) 5.396 15.416 ( -3.389 0.082 0.668) 3.456 15.545 ( 0.855 -1.131 1.154) 1.828 15.757 ( 3.730 -4.691 -1.704) 6.231 16.133 ( 2.032 4.400 1.215) 4.996 16.381 ( 2.218 -7.397 3.186) 8.354 16.500 ( -9.443 -2.088 -5.487) 11.119 16.962 ( 2.119 -2.224 -0.880) 3.195 17.114 ( -3.775 -1.993 2.122) 4.767 17.268 ( 0.294 -1.748 -3.906) 4.290 17.368 ( 1.195 0.040 1.412) 1.850 19.910 ( 3.322 -6.841 -1.337) 7.722 20.167 ( -1.202 -11.711 -2.564) 12.048 20.307 ( 0.304 14.024 0.270) 14.030 20.644 ( -0.038 12.119 1.487) 12.210 22.266 ( -0.280 -15.193 2.667) 15.428 22.652 ( 1.254 -2.402 -2.409) 3.626 22.723 ( -1.625 -0.094 1.488) 2.206 23.109 ( 0.317 10.117 0.225) 10.124 27.575 ( 2.414 -22.814 1.235) 22.974 27.780 ( -9.765 -20.762 -7.065) 24.007 28.400 ( -2.665 24.094 -2.650) 24.386 28.894 ( 10.496 19.053 7.580) 23.035 30.625 ( -1.829 -6.121 -1.579) 6.581 30.695 ( -2.585 -6.809 -1.423) 7.421 30.905 ( -2.695 -13.022 0.000) 13.297 31.195 ( 1.273 -1.853 -1.258) 2.576 31.239 ( 0.320 2.373 -0.639) 2.479 31.385 ( 0.690 10.277 0.141) 10.301 31.490 ( -5.803 1.882 -2.130) 6.462 32.432 ( 3.210 -0.023 5.671) 6.516 32.903 ( 2.425 0.973 3.236) 4.159 33.055 ( 2.364 -5.430 -2.518) 6.435 33.153 ( 6.810 8.804 0.245) 11.133 33.451 ( -2.960 10.751 1.413) 11.241 35.207 ( 0.135 -0.087 -0.216) 0.269 35.336 ( 0.231 -1.312 -0.100) 1.336 35.461 ( -0.687 -0.915 -0.228) 1.167 35.675 ( 3.879 -1.625 -4.749) 6.344 35.740 ( -4.240 0.996 4.984) 6.619 35.773 ( -0.537 -0.075 -0.481) 0.725 36.884 ( -7.639 -22.136 -6.417) 24.281 37.800 ( 5.977 19.551 5.871) 21.270 ======================= Grid point 14 (10/114) ======================= q-point: (-0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.827 ( -14.882 9.185 -11.318) 20.832 1.975 ( 0.531 9.740 0.171) 9.756 2.334 ( -0.902 7.620 5.210) 9.275 2.384 ( 2.021 5.599 -0.293) 5.960 2.554 ( 1.409 -11.871 3.455) 12.443 2.724 ( 1.533 5.837 -0.924) 6.105 2.850 ( 2.320 -5.820 -4.498) 7.712 3.066 ( -1.762 0.230 -0.576) 1.868 3.112 ( 1.767 0.861 -4.126) 4.570 3.207 ( -8.337 0.084 -1.431) 8.460 3.397 ( -5.358 15.331 2.707) 16.465 3.491 ( 2.149 -0.680 1.176) 2.543 3.617 ( 5.217 1.042 3.582) 6.414 3.738 ( 3.088 0.355 -3.148) 4.424 3.882 ( 9.233 -3.301 2.966) 10.244 4.011 ( -11.011 1.543 -0.312) 11.123 4.056 ( 6.477 -2.059 8.111) 10.582 4.330 ( 0.637 -6.388 2.567) 6.914 4.389 ( 2.295 -2.186 -4.963) 5.888 4.679 ( -1.310 2.154 -4.402) 5.073 4.846 ( -1.756 -4.062 -0.404) 4.444 4.916 ( 2.696 -1.670 -1.049) 3.341 5.115 ( -2.574 -9.860 -1.440) 10.292 5.281 ( 0.326 2.033 -0.404) 2.098 5.419 ( 6.275 1.266 4.411) 7.774 5.585 ( -7.491 6.709 -0.225) 10.059 5.707 ( 1.045 1.397 -5.838) 6.093 5.746 ( -4.263 -2.194 1.490) 5.020 5.871 ( -0.097 1.370 1.241) 1.851 6.080 ( 7.889 -6.321 6.238) 11.878 7.567 ( -7.557 0.295 -3.177) 8.203 7.692 ( -0.628 -0.017 0.072) 0.632 7.805 ( -1.164 1.145 -2.821) 3.259 8.178 ( 9.223 0.069 5.586) 10.783 8.708 ( -3.045 -0.254 -3.539) 4.675 8.829 ( -0.340 -1.943 0.729) 2.103 8.867 ( 0.191 3.619 1.446) 3.902 8.998 ( 1.429 0.119 0.750) 1.618 9.132 ( -3.225 5.020 -5.198) 7.913 9.238 ( -0.607 -4.337 1.312) 4.572 9.572 ( 3.879 3.980 0.551) 5.585 9.626 ( 1.665 -2.010 6.668) 7.160 9.912 ( -5.526 -1.680 -4.426) 7.277 9.986 ( 2.264 6.299 -0.226) 6.697 10.059 ( 0.694 -4.749 2.542) 5.431 10.407 ( -0.440 2.341 -2.504) 3.456 11.185 ( -2.198 -1.606 -0.725) 2.817 11.322 ( 1.256 2.589 1.020) 3.053 11.397 ( 0.594 -1.641 -0.932) 1.978 11.582 ( 1.732 2.921 0.641) 3.456 11.666 ( 1.959 1.281 0.999) 2.545 11.855 ( -4.365 7.118 -1.368) 8.461 12.224 ( -0.173 -2.329 -0.764) 2.457 12.294 ( -1.251 -0.876 1.460) 2.113 12.407 ( 7.082 -2.777 2.335) 7.958 12.442 ( -0.152 8.434 -0.279) 8.440 12.671 ( -1.546 -3.449 0.851) 3.874 12.726 ( 0.324 -6.093 -0.822) 6.156 13.455 ( 2.042 -3.934 -2.253) 4.972 13.631 ( -2.798 -1.325 3.107) 4.386 13.727 ( 1.407 5.266 0.765) 5.504 13.892 ( -6.795 -8.063 -6.544) 12.410 14.138 ( 1.792 13.848 -0.376) 13.968 14.560 ( -2.765 -4.458 -0.129) 5.247 15.188 ( -0.290 1.593 0.928) 1.866 15.288 ( -1.742 -7.876 -0.401) 8.076 15.373 ( 3.781 -0.602 -0.504) 3.862 15.570 ( 4.761 3.411 4.903) 7.638 15.877 ( -1.470 -5.915 -2.788) 6.703 16.044 ( 1.077 8.062 2.295) 8.451 16.235 ( -10.739 4.578 -6.842) 13.531 16.733 ( 7.632 -11.222 5.205) 14.535 17.009 ( 2.292 -1.576 -1.308) 3.074 17.129 ( -1.490 -0.759 2.568) 3.064 17.259 ( -0.585 0.352 -3.993) 4.051 17.378 ( -0.194 -0.068 2.416) 2.425 20.054 ( -0.258 5.467 1.248) 5.614 20.085 ( 0.474 -3.171 -1.286) 3.454 20.372 ( 0.225 -11.619 -1.459) 11.712 20.454 ( -0.072 9.409 1.709) 9.563 22.464 ( 0.193 11.196 -0.688) 11.219 22.547 ( 1.310 -12.138 1.077) 12.256 22.901 ( 0.419 0.847 -0.416) 1.032 22.918 ( -0.949 -0.056 0.459) 1.056 27.896 ( -0.418 14.865 0.537) 14.881 28.041 ( -2.955 -11.678 -3.923) 12.669 28.060 ( -1.858 -21.978 -1.269) 22.093 28.733 ( 10.689 13.178 8.614) 19.030 30.695 ( -2.722 -2.178 -0.380) 3.507 30.759 ( 0.709 -3.084 -0.697) 3.240 31.093 ( -0.244 -5.060 0.433) 5.084 31.141 ( -1.070 4.490 0.425) 4.635 31.226 ( 0.479 5.409 0.148) 5.432 31.252 ( 1.537 -0.567 0.182) 1.648 31.415 ( -9.320 -4.073 -8.261) 13.103 32.414 ( 3.439 7.548 3.559) 9.025 32.828 ( -1.277 6.217 -0.121) 6.348 33.093 ( 2.732 1.070 -0.827) 3.048 33.194 ( -0.152 5.791 1.384) 5.956 33.296 ( -0.982 -6.130 -0.803) 6.260 35.202 ( -0.347 0.317 -0.275) 0.545 35.347 ( 0.361 0.216 -0.563) 0.703 35.456 ( -1.470 0.176 -0.121) 1.486 35.686 ( -1.760 -0.031 1.856) 2.558 35.740 ( 2.344 -0.207 -2.208) 3.227 35.807 ( 1.613 -2.781 2.121) 3.852 37.189 ( -4.553 -20.894 -4.444) 21.841 37.518 ( 4.270 19.164 4.018) 20.040 ======================= Grid point 15 (11/114) ======================= q-point: (-0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -12.709 20.721 -6.999) 25.295 1.613 ( -6.228 22.950 -4.911) 24.282 2.207 ( -3.124 9.446 3.071) 10.413 2.332 ( 4.356 2.306 3.271) 5.915 2.604 ( 1.284 7.388 3.293) 8.190 2.674 ( 9.297 9.801 5.008) 14.407 2.738 ( -6.080 23.051 -9.298) 25.588 2.963 ( -11.008 17.647 -7.348) 22.059 3.038 ( -0.395 -14.260 -2.188) 14.432 3.181 ( -4.718 0.316 -3.034) 5.618 3.251 ( 0.552 -6.729 2.878) 7.339 3.552 ( 4.169 -3.319 -2.242) 5.781 3.618 ( 0.301 -0.130 1.892) 1.920 3.764 ( 3.911 -1.309 -0.339) 4.138 3.880 ( -3.956 -1.941 -1.207) 4.569 4.034 ( 1.744 -3.561 3.130) 5.052 4.255 ( 11.391 -3.775 6.784) 13.785 4.449 ( -0.423 -9.436 -0.595) 9.465 4.536 ( 0.767 -9.806 3.037) 10.294 4.668 ( 0.683 -1.782 0.291) 1.930 4.888 ( -0.892 -0.021 -0.906) 1.271 4.927 ( 1.210 -3.895 -4.311) 5.935 5.229 ( 4.201 2.039 -4.794) 6.692 5.282 ( -0.409 -4.632 0.892) 4.735 5.392 ( -10.513 2.638 1.204) 10.906 5.457 ( 5.413 9.292 5.215) 11.952 5.658 ( -1.978 -1.798 -3.462) 4.374 5.811 ( 0.168 -4.863 -0.443) 4.886 5.836 ( -1.178 2.010 0.832) 2.474 6.239 ( 5.572 -2.026 3.779) 7.030 7.494 ( -5.980 0.379 -2.799) 6.614 7.706 ( 0.803 -0.470 2.679) 2.836 7.783 ( -0.912 -1.052 -2.358) 2.738 8.192 ( 3.193 6.165 2.592) 7.412 8.691 ( -1.274 -1.652 -1.153) 2.384 8.855 ( -0.232 -0.913 2.598) 2.764 8.878 ( 0.517 -3.279 -1.665) 3.713 8.966 ( -4.458 4.342 -0.209) 6.227 9.048 ( 0.626 -2.039 -3.060) 3.730 9.345 ( 0.122 -6.781 -0.112) 6.783 9.548 ( 3.033 1.740 0.908) 3.613 9.764 ( -0.984 -4.546 6.700) 8.156 9.833 ( 1.230 1.424 -6.525) 6.790 9.894 ( -0.536 5.133 1.081) 5.273 10.136 ( -0.958 -2.666 -0.526) 2.882 10.407 ( 0.030 -5.642 -1.193) 5.767 11.188 ( -2.431 -1.494 -0.746) 2.949 11.311 ( 1.717 0.659 1.328) 2.268 11.403 ( 0.406 0.812 0.404) 0.993 11.552 ( 0.712 2.335 0.588) 2.511 11.646 ( 2.351 2.829 -2.134) 4.252 11.690 ( -4.596 5.175 -1.810) 7.155 12.176 ( 0.589 13.160 0.441) 13.181 12.276 ( -1.347 -2.204 0.418) 2.616 12.329 ( -1.301 -0.880 -0.570) 1.671 12.528 ( 3.993 -3.317 1.493) 5.401 12.793 ( -0.501 -9.227 0.658) 9.264 12.904 ( 1.849 -10.817 0.332) 10.979 13.452 ( 0.407 4.756 1.320) 4.953 13.597 ( -0.684 6.947 -2.476) 7.407 13.716 ( 4.105 -4.183 4.126) 7.167 13.911 ( -9.720 -3.880 -7.905) 13.116 13.957 ( 1.476 6.651 0.387) 6.824 14.569 ( -1.470 0.917 0.111) 1.736 15.074 ( -1.786 7.502 -1.705) 7.898 15.447 ( 3.298 -7.419 7.084) 10.775 15.530 ( 7.370 -8.658 -4.151) 12.104 15.537 ( 3.307 6.299 4.333) 8.330 15.768 ( -10.650 7.902 -4.899) 14.137 15.878 ( -1.174 11.601 0.730) 11.683 16.206 ( -0.592 -7.873 -1.701) 8.077 16.962 ( 4.789 -4.885 5.102) 8.533 17.031 ( 3.892 0.779 -0.583) 4.012 17.150 ( -0.029 -0.835 0.487) 0.967 17.201 ( -2.919 1.827 -4.079) 5.338 17.415 ( 0.626 -2.482 3.638) 4.449 19.853 ( -1.212 10.244 0.638) 10.335 20.270 ( 3.889 6.886 -2.229) 8.217 20.289 ( -3.131 -9.585 3.428) 10.650 20.613 ( -0.076 -13.967 -0.599) 13.980 22.212 ( 0.133 15.098 -1.721) 15.196 22.664 ( -0.480 14.344 -0.269) 14.354 22.792 ( 1.884 -11.681 1.445) 11.919 23.108 ( 0.118 -10.557 0.269) 10.561 27.497 ( -0.742 21.662 -0.336) 21.678 28.319 ( 4.338 -15.410 1.115) 16.048 28.476 ( 2.228 -22.099 0.799) 22.226 28.689 ( 2.686 2.234 5.396) 6.428 30.622 ( -4.035 6.964 -0.894) 8.098 30.793 ( 2.413 2.336 0.193) 3.364 30.955 ( -0.523 10.334 0.198) 10.349 31.022 ( -4.156 7.944 -4.363) 9.971 31.293 ( 0.764 -4.874 0.756) 4.991 31.338 ( -0.061 -10.496 0.690) 10.519 31.419 ( -3.866 -4.599 -4.730) 7.647 32.297 ( 0.723 7.219 0.029) 7.255 32.669 ( -3.663 9.100 -1.111) 9.872 32.976 ( -0.819 13.280 0.111) 13.306 33.149 ( 0.391 -4.371 0.569) 4.426 33.487 ( 0.734 -10.833 -0.488) 10.868 35.189 ( -0.380 0.617 -0.170) 0.744 35.328 ( 0.105 1.645 -0.418) 1.701 35.437 ( -0.725 0.936 0.010) 1.184 35.688 ( -2.449 -0.142 3.954) 4.653 35.746 ( 2.944 -0.316 -3.826) 4.838 35.895 ( 1.736 -3.997 1.582) 4.636 37.229 ( 3.498 16.755 2.845) 17.351 37.513 ( -2.517 -18.748 -2.652) 19.102 ======================= Grid point 16 (12/114) ======================= q-point: (-0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.899 ( -0.000 24.954 -0.000) 24.954 1.103 ( -0.000 28.976 -0.000) 28.976 1.910 ( -0.000 49.887 -0.000) 49.887 2.040 ( -0.000 8.372 -0.000) 8.372 2.384 ( -0.000 2.614 -0.000) 2.614 2.549 ( -0.000 2.481 -0.000) 2.481 2.605 ( -0.000 15.272 -0.000) 15.272 2.681 ( 0.000 -6.361 0.000) 6.361 3.121 ( -0.000 2.373 -0.000) 2.373 3.275 ( 0.000 -11.756 0.000) 11.756 3.341 ( 0.000 -2.948 0.000) 2.948 3.632 ( 0.000 -1.595 0.000) 1.595 3.664 ( 0.000 -3.959 0.000) 3.959 3.781 ( -0.000 0.576 -0.000) 0.576 3.969 ( 0.000 -8.388 0.000) 8.388 4.134 ( 0.000 -5.635 0.000) 5.635 4.321 ( -0.000 1.461 -0.000) 1.461 4.585 ( 0.000 -0.433 0.000) 0.433 4.708 ( 0.000 -7.217 0.000) 7.217 4.785 ( 0.000 -12.204 0.000) 12.204 4.911 ( 0.000 -3.741 0.000) 3.741 4.976 ( 0.000 -0.459 0.000) 0.459 5.103 ( -0.000 10.511 -0.000) 10.511 5.263 ( -0.000 6.241 -0.000) 6.241 5.314 ( -0.000 5.465 -0.000) 5.465 5.410 ( 0.000 -5.805 0.000) 5.805 5.684 ( 0.000 -1.941 0.000) 1.941 5.785 ( -0.000 2.388 -0.000) 2.388 5.919 ( 0.000 -5.814 0.000) 5.814 6.263 ( -0.000 2.686 -0.000) 2.686 7.448 ( -0.000 0.744 -0.000) 0.744 7.727 ( 0.000 -0.388 0.000) 0.388 7.799 ( 0.000 -1.709 0.000) 1.709 8.085 ( -0.000 7.086 -0.000) 7.086 8.705 ( 0.000 -0.627 0.000) 0.627 8.834 ( -0.000 3.326 -0.000) 3.326 8.922 ( 0.000 -1.812 0.000) 1.812 8.970 ( 0.000 -6.383 0.000) 6.383 9.082 ( 0.000 -1.713 0.000) 1.713 9.461 ( 0.000 -5.556 0.000) 5.556 9.546 ( -0.000 1.087 -0.000) 1.087 9.658 ( -0.000 8.299 -0.000) 8.299 9.811 ( -0.000 1.683 -0.000) 1.683 10.001 ( 0.000 -11.026 0.000) 11.026 10.173 ( 0.000 -3.103 0.000) 3.103 10.567 ( 0.000 -10.884 0.000) 10.884 11.210 ( 0.000 -2.935 0.000) 2.935 11.316 ( -0.000 1.598 -0.000) 1.598 11.393 ( -0.000 0.546 -0.000) 0.546 11.503 ( -0.000 3.534 -0.000) 3.534 11.555 ( -0.000 5.073 -0.000) 5.073 11.627 ( -0.000 2.123 -0.000) 2.123 11.973 ( -0.000 7.633 -0.000) 7.633 12.320 ( 0.000 -2.546 0.000) 2.546 12.340 ( 0.000 -0.657 0.000) 0.657 12.583 ( 0.000 -0.589 0.000) 0.589 12.958 ( 0.000 -8.874 0.000) 8.874 13.090 ( 0.000 -8.506 0.000) 8.506 13.347 ( -0.000 6.854 -0.000) 6.854 13.501 ( -0.000 1.910 -0.000) 1.910 13.762 ( -0.000 5.600 -0.000) 5.600 13.873 ( -0.000 4.162 -0.000) 4.162 13.926 ( 0.000 -8.651 0.000) 8.651 14.546 ( -0.000 0.250 -0.000) 0.250 14.923 ( -0.000 8.172 -0.000) 8.172 15.366 ( -0.000 15.814 -0.000) 15.814 15.486 ( -0.000 7.796 -0.000) 7.796 15.598 ( -0.000 10.571 -0.000) 10.571 15.690 ( 0.000 -11.113 0.000) 11.113 15.815 ( 0.000 -9.040 0.000) 9.040 16.353 ( 0.000 -8.039 0.000) 8.039 17.000 ( -0.000 2.087 -0.000) 2.087 17.047 ( -0.000 0.840 -0.000) 0.840 17.139 ( -0.000 1.468 -0.000) 1.468 17.147 ( -0.000 1.649 -0.000) 1.649 17.510 ( 0.000 -5.386 0.000) 5.386 19.701 ( -0.000 6.461 -0.000) 6.461 20.107 ( -0.000 9.256 -0.000) 9.256 20.526 ( 0.000 -14.057 0.000) 14.057 20.853 ( 0.000 -12.886 0.000) 12.886 21.934 ( -0.000 15.336 -0.000) 15.336 22.405 ( -0.000 14.349 -0.000) 14.349 22.986 ( 0.000 -8.546 0.000) 8.546 23.280 ( 0.000 -8.471 0.000) 8.471 27.154 ( -0.000 16.591 -0.000) 16.591 28.622 ( -0.000 4.045 -0.000) 4.045 28.709 ( 0.000 -21.307 0.000) 21.307 28.904 ( 0.000 -22.774 0.000) 22.774 30.388 ( -0.000 14.789 -0.000) 14.789 30.682 ( -0.000 11.220 -0.000) 11.220 30.789 ( -0.000 7.528 -0.000) 7.528 30.849 ( -0.000 7.242 -0.000) 7.242 31.416 ( -0.000 1.874 -0.000) 1.874 31.437 ( 0.000 -10.243 0.000) 10.243 31.547 ( 0.000 -12.576 0.000) 12.576 32.215 ( -0.000 1.596 -0.000) 1.596 32.459 ( -0.000 11.531 -0.000) 11.531 32.730 ( -0.000 13.805 -0.000) 13.805 33.237 ( 0.000 -4.536 0.000) 4.536 33.655 ( 0.000 -7.921 0.000) 7.921 35.175 ( -0.000 0.696 -0.000) 0.696 35.293 ( -0.000 2.015 -0.000) 2.015 35.414 ( -0.000 1.287 -0.000) 1.287 35.694 ( 0.000 -0.131 0.000) 0.131 35.757 ( 0.000 -0.762 0.000) 0.762 35.977 ( 0.000 -3.684 0.000) 3.684 36.992 ( -0.000 12.661 -0.000) 12.661 37.795 ( 0.000 -14.595 0.000) 14.595 ======================= Grid point 19 (13/114) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( 20.444 -0.000 16.854) 26.496 1.183 ( 20.980 -0.000 23.628) 31.599 2.051 ( 19.932 -0.000 25.052) 32.014 2.193 ( 4.212 -0.000 10.640) 11.444 2.516 ( 10.980 -0.000 -2.064) 11.172 2.613 ( 14.136 -0.000 14.701) 20.395 2.618 ( 1.162 -0.000 3.213) 3.417 2.880 ( -4.073 0.000 -4.079) 5.764 3.215 ( 3.512 -0.000 -12.277) 12.769 3.346 ( -1.943 0.000 -5.697) 6.019 3.389 ( -1.916 0.000 -10.247) 10.425 3.447 ( 7.986 -0.000 2.105) 8.259 3.614 ( -3.149 0.000 4.884) 5.811 3.727 ( 2.374 -0.000 -1.611) 2.870 3.874 ( -8.993 0.000 -16.188) 18.518 4.049 ( -13.125 0.000 0.213) 13.127 4.121 ( -4.623 0.000 1.117) 4.756 4.404 ( -14.252 0.000 0.963) 14.285 4.410 ( -2.485 0.000 -5.477) 6.014 4.715 ( -3.229 0.000 -2.815) 4.284 4.733 ( 0.046 -0.000 -3.059) 3.060 4.866 ( -1.060 0.000 2.790) 2.984 5.164 ( -5.059 0.000 2.754) 5.760 5.213 ( 7.963 -0.000 11.639) 14.103 5.384 ( 1.292 -0.000 3.369) 3.608 5.656 ( -9.848 0.000 -6.374) 11.731 5.690 ( -3.047 0.000 4.168) 5.162 5.773 ( -2.306 0.000 3.659) 4.325 6.050 ( 8.953 -0.000 2.244) 9.230 6.221 ( 1.564 -0.000 -0.449) 1.627 7.654 ( 0.548 -0.000 0.149) 0.568 7.666 ( 1.488 -0.000 -1.730) 2.282 7.917 ( 11.465 -0.000 3.157) 11.891 8.054 ( 2.125 -0.000 -2.944) 3.631 8.771 ( -1.821 0.000 2.515) 3.105 8.950 ( -1.751 0.000 0.954) 1.994 9.084 ( 5.098 -0.000 -0.038) 5.098 9.165 ( -10.119 0.000 2.562) 10.439 9.222 ( 3.396 -0.000 -0.216) 3.403 9.294 ( 1.636 -0.000 4.020) 4.340 9.541 ( -1.061 0.000 10.204) 10.259 9.715 ( -1.645 0.000 -2.685) 3.149 9.927 ( 3.907 -0.000 -5.773) 6.971 10.062 ( 1.493 -0.000 -7.381) 7.530 10.340 ( 2.157 -0.000 -1.902) 2.876 10.630 ( -1.469 0.000 -2.161) 2.613 10.930 ( -4.073 0.000 0.920) 4.176 11.259 ( -5.415 0.000 -3.046) 6.212 11.498 ( 0.874 -0.000 6.731) 6.788 11.547 ( 3.549 -0.000 1.459) 3.837 11.685 ( 7.108 -0.000 -0.560) 7.130 11.916 ( -0.528 0.000 -3.446) 3.486 12.260 ( 7.673 -0.000 15.117) 16.953 12.394 ( -2.916 0.000 -2.867) 4.089 12.396 ( 1.893 -0.000 -1.252) 2.269 12.586 ( -0.168 0.000 1.971) 1.979 12.981 ( -3.498 0.000 -6.370) 7.267 13.189 ( 2.633 -0.000 -8.175) 8.589 13.306 ( -5.416 0.000 7.072) 8.907 13.336 ( -2.946 0.000 -0.986) 3.107 13.518 ( -0.747 0.000 -2.294) 2.412 13.715 ( -0.426 0.000 1.227) 1.299 14.654 ( -1.834 0.000 -3.188) 3.678 14.663 ( 1.613 -0.000 0.782) 1.793 14.702 ( -6.781 0.000 -1.322) 6.909 14.972 ( -0.787 0.000 -1.683) 1.858 15.110 ( -9.416 0.000 -1.070) 9.477 15.282 ( -1.982 0.000 2.021) 2.831 15.643 ( 5.780 -0.000 -7.424) 9.409 16.121 ( 5.393 -0.000 -1.990) 5.748 16.434 ( -5.670 0.000 3.659) 6.748 16.446 ( -3.531 0.000 2.800) 4.507 16.887 ( 0.113 -0.000 -1.119) 1.125 17.001 ( -1.499 0.000 -2.483) 2.901 17.029 ( -4.214 0.000 0.824) 4.294 17.284 ( 5.225 -0.000 4.966) 7.208 19.737 ( 9.058 -0.000 0.906) 9.103 19.828 ( -0.590 0.000 -5.066) 5.100 20.963 ( 1.529 -0.000 0.706) 1.684 21.049 ( 0.061 -0.000 -1.131) 1.132 21.644 ( -3.211 0.000 3.871) 5.029 22.103 ( 1.171 -0.000 1.151) 1.642 23.144 ( -0.409 0.000 0.599) 0.725 23.388 ( 0.087 -0.000 0.294) 0.306 26.836 ( -0.116 0.000 -0.102) 0.155 26.845 ( -0.160 0.000 -0.112) 0.195 29.481 ( 0.764 -0.000 0.317) 0.827 29.484 ( 4.606 -0.000 3.354) 5.698 30.068 ( -6.920 0.000 -5.712) 8.973 30.543 ( -4.409 0.000 -2.576) 5.107 30.557 ( -3.973 0.000 -2.901) 4.920 31.156 ( -2.934 0.000 -5.333) 6.086 31.176 ( -2.126 0.000 -2.067) 2.965 31.734 ( -2.760 0.000 4.928) 5.648 31.914 ( 4.931 -0.000 3.193) 5.875 32.078 ( 2.398 -0.000 2.150) 3.221 32.411 ( 0.551 -0.000 2.180) 2.249 33.241 ( -2.898 0.000 -2.500) 3.827 33.787 ( -1.350 0.000 0.805) 1.572 34.412 ( 10.345 -0.000 -14.534) 17.840 35.183 ( 0.125 -0.000 0.906) 0.914 35.268 ( 3.438 -0.000 -4.740) 5.856 35.408 ( 2.337 -0.000 -0.713) 2.443 35.681 ( -9.622 0.000 10.006) 13.882 35.688 ( -4.603 0.000 -1.017) 4.714 35.768 ( -3.690 0.000 4.746) 6.011 35.896 ( -2.655 0.000 -6.234) 6.776 38.310 ( 10.120 -0.000 9.191) 13.671 ======================= Grid point 20 (14/114) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.405 ( 14.717 -5.165 13.679) 20.745 1.563 ( 18.020 -7.719 11.477) 22.716 2.129 ( -7.922 -1.927 6.186) 10.234 2.435 ( 5.729 1.065 4.484) 7.353 2.569 ( 16.078 2.260 8.419) 18.289 2.642 ( 2.646 -5.444 8.673) 10.576 2.779 ( 13.756 -2.340 -2.729) 14.218 2.967 ( 3.166 -8.010 9.219) 12.616 3.208 ( 0.535 -1.541 -10.021) 10.153 3.253 ( -1.500 4.270 -2.859) 5.353 3.336 ( -2.425 -3.420 -7.268) 8.390 3.578 ( 7.194 -4.970 -0.800) 8.780 3.611 ( -0.446 1.484 3.671) 3.985 3.705 ( -4.758 -0.417 -16.862) 17.525 3.793 ( -3.225 -2.793 2.199) 4.800 3.890 ( -10.512 4.816 3.045) 11.957 4.084 ( -8.961 -0.824 2.609) 9.369 4.301 ( -8.843 2.377 1.520) 9.283 4.380 ( -1.428 -1.451 -6.501) 6.812 4.611 ( 0.116 4.919 0.940) 5.009 4.746 ( -1.864 -1.118 -0.493) 2.229 4.940 ( -0.956 -4.277 -2.302) 4.951 5.091 ( -1.056 3.386 2.389) 4.277 5.375 ( 3.640 -2.163 6.990) 8.173 5.401 ( 2.974 1.049 5.114) 6.008 5.557 ( -9.333 -2.505 -6.228) 11.496 5.696 ( -2.676 -1.453 2.612) 4.012 5.801 ( -0.713 -1.808 3.607) 4.097 6.060 ( 6.492 7.067 1.743) 9.753 6.163 ( -0.154 6.243 -2.940) 6.902 7.673 ( -0.103 -0.042 -0.002) 0.112 7.688 ( 4.123 -0.715 2.594) 4.924 8.004 ( 10.027 0.825 2.250) 10.309 8.017 ( -1.372 2.506 -4.266) 5.134 8.734 ( -1.228 2.866 1.294) 3.376 8.899 ( -1.765 3.472 -2.064) 4.408 9.033 ( -3.584 1.651 -0.127) 3.948 9.157 ( -4.426 -1.510 -2.152) 5.148 9.265 ( 3.114 1.602 2.917) 4.558 9.298 ( -0.368 1.046 2.054) 2.334 9.639 ( -1.255 -4.373 9.282) 10.337 9.684 ( 2.151 1.291 -4.041) 4.756 9.872 ( 2.386 4.239 1.157) 5.000 10.054 ( 6.059 3.393 -3.039) 7.580 10.296 ( 0.587 3.780 -1.686) 4.181 10.584 ( 1.541 3.775 0.310) 4.090 10.962 ( -2.285 -5.412 0.404) 5.889 11.216 ( -3.838 -1.425 -2.552) 4.824 11.525 ( 5.313 2.773 2.467) 6.481 11.592 ( -0.964 -1.619 4.991) 5.335 11.729 ( 5.472 1.158 1.683) 5.841 11.899 ( 1.057 -1.720 -4.379) 4.822 12.249 ( 5.115 6.560 2.777) 8.769 12.364 ( 1.541 4.892 9.014) 10.372 12.402 ( -3.946 0.626 -1.855) 4.405 12.539 ( -1.398 2.733 0.161) 3.074 12.884 ( -3.969 3.620 -5.514) 7.698 13.049 ( -1.444 10.197 -5.863) 11.851 13.266 ( 0.889 -2.171 -2.915) 3.742 13.424 ( -3.298 -5.112 3.983) 7.272 13.598 ( 1.425 -8.362 2.608) 8.875 13.700 ( -0.451 1.497 -1.519) 2.180 14.457 ( -9.386 5.746 -7.366) 13.243 14.764 ( 5.716 0.411 1.745) 5.991 14.809 ( -2.078 -11.087 5.537) 12.565 14.977 ( -2.619 -9.086 -1.877) 9.640 15.181 ( -8.834 -12.290 -5.982) 16.275 15.241 ( -4.436 1.459 -1.427) 4.882 15.784 ( 11.979 -8.188 -0.930) 14.540 16.099 ( 3.028 4.644 2.253) 5.985 16.355 ( -3.632 4.379 1.140) 5.802 16.446 ( -9.283 -1.763 -2.477) 9.769 16.902 ( 1.149 -1.625 -1.014) 2.233 17.004 ( -2.018 -2.556 -0.804) 3.354 17.081 ( -2.953 -7.380 -0.744) 7.984 17.354 ( 3.895 -0.767 3.329) 5.181 19.809 ( 7.368 -0.248 0.345) 7.380 19.843 ( -0.381 -5.136 -4.439) 6.799 20.810 ( 0.946 13.185 0.427) 13.226 21.028 ( 0.115 6.149 -0.401) 6.163 21.743 ( -2.101 -11.117 2.873) 11.672 22.223 ( 0.837 -10.565 0.796) 10.628 23.054 ( 0.144 8.855 0.757) 8.888 23.361 ( 0.353 3.670 0.406) 3.709 26.931 ( 0.422 -11.030 0.217) 11.041 27.022 ( -3.740 -17.963 -2.906) 18.577 29.208 ( -1.440 20.927 -2.437) 21.117 29.494 ( 5.837 9.710 4.908) 12.347 30.199 ( -5.073 -17.863 -2.639) 18.756 30.498 ( -3.735 -1.158 -2.588) 4.689 30.553 ( -4.575 -4.510 -3.056) 7.114 31.106 ( 0.724 -0.716 -2.761) 2.943 31.192 ( -3.259 -3.387 -2.966) 5.558 31.658 ( -0.714 7.583 2.886) 8.145 31.849 ( 2.354 10.433 1.778) 10.842 32.207 ( 1.850 -8.625 3.153) 9.368 32.537 ( 1.004 -10.591 1.934) 10.813 33.182 ( -2.884 2.586 -2.403) 4.559 33.735 ( -0.812 5.312 0.161) 5.376 34.028 ( 12.756 33.086 0.028) 35.460 35.194 ( 0.403 -0.538 -0.246) 0.716 35.276 ( 0.478 -1.214 -0.556) 1.418 35.421 ( 0.758 -0.554 0.326) 0.994 35.633 ( 4.225 -0.368 -7.427) 8.553 35.759 ( -7.880 -0.063 10.009) 12.738 35.788 ( -3.332 -0.655 -3.173) 4.647 36.045 ( -8.302 -23.963 -4.803) 25.811 38.350 ( 8.421 9.260 7.776) 14.735 ======================= Grid point 21 (15/114) ======================= q-point: ( 0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 7.232 -11.008 2.891) 13.485 1.802 ( 7.496 -7.270 0.348) 10.448 2.146 ( -5.905 -1.633 1.649) 6.345 2.484 ( 12.629 -3.471 -3.341) 13.517 2.664 ( 6.925 2.801 11.855) 14.012 2.820 ( 1.444 -3.551 1.188) 4.013 2.883 ( -3.572 1.830 2.607) 4.786 3.049 ( 0.043 4.828 -2.009) 5.230 3.133 ( 2.115 -0.421 2.886) 3.602 3.197 ( -2.314 0.710 -5.388) 5.907 3.434 ( -1.774 -8.397 -2.390) 8.909 3.615 ( 0.807 -1.193 3.370) 3.665 3.624 ( 0.078 -0.051 -4.880) 4.881 3.709 ( -0.163 -1.640 0.142) 1.654 3.739 ( 3.278 -4.937 -6.596) 8.867 3.915 ( -3.387 -0.925 13.491) 13.940 4.051 ( -9.723 -3.778 0.361) 10.438 4.222 ( -0.764 3.685 4.450) 5.828 4.374 ( 3.175 -1.185 -5.697) 6.629 4.594 ( 1.853 -2.418 1.021) 3.213 4.761 ( -2.328 -1.568 2.707) 3.900 4.926 ( -1.724 1.378 -7.805) 8.111 5.028 ( -3.917 2.354 -1.691) 4.872 5.354 ( 0.982 4.345 2.119) 4.933 5.478 ( 1.609 -0.673 2.837) 3.330 5.568 ( -4.479 -5.627 -0.242) 7.197 5.772 ( 2.096 -6.378 3.312) 7.486 5.850 ( 0.217 -0.699 2.520) 2.624 5.928 ( 1.618 11.084 0.627) 11.219 5.990 ( -0.685 8.862 -4.288) 9.869 7.640 ( -1.437 2.836 -1.154) 3.382 7.724 ( 0.960 1.508 1.837) 2.563 7.897 ( -3.729 4.253 -5.065) 7.592 8.112 ( 10.682 -2.262 4.200) 11.699 8.708 ( 0.348 0.525 0.548) 0.835 8.801 ( -3.133 2.244 -4.961) 6.282 9.009 ( 0.631 0.516 1.487) 1.696 9.114 ( -0.703 2.605 -0.619) 2.768 9.205 ( -2.415 4.940 1.116) 5.611 9.279 ( -2.273 1.490 -1.839) 3.282 9.658 ( 4.605 2.799 1.403) 5.569 9.733 ( -2.612 -1.872 1.367) 3.492 9.857 ( -1.961 -1.170 3.744) 4.386 9.972 ( 5.613 9.034 1.778) 10.783 10.231 ( 2.466 4.389 -1.649) 5.298 10.538 ( 2.035 3.928 2.000) 4.855 11.060 ( -1.279 -6.097 -0.560) 6.255 11.234 ( -1.642 -4.423 -1.514) 4.955 11.496 ( 3.939 5.469 0.647) 6.771 11.639 ( -0.785 -1.773 3.321) 3.846 11.740 ( 5.718 3.444 3.534) 7.553 11.965 ( 1.601 -4.929 -2.347) 5.689 12.194 ( -1.679 4.538 0.598) 4.876 12.267 ( -1.565 2.935 -2.472) 4.144 12.381 ( 3.618 2.967 7.818) 9.111 12.526 ( 1.773 1.377 3.471) 4.134 12.752 ( -5.827 4.202 -3.243) 7.882 12.843 ( -2.782 5.623 -8.014) 10.178 13.292 ( 0.826 -2.284 -4.019) 4.696 13.491 ( -6.172 -4.075 0.494) 7.412 13.681 ( 0.262 -3.104 -1.401) 3.415 13.804 ( 6.313 -4.499 7.383) 10.705 14.304 ( -9.705 -3.272 -8.435) 13.268 14.700 ( 5.457 13.303 2.394) 14.577 15.015 ( -1.917 -8.704 4.161) 9.836 15.087 ( -2.266 -5.052 -1.781) 5.816 15.287 ( -4.004 -12.071 -0.961) 12.754 15.335 ( -3.111 -12.179 -3.716) 13.108 15.898 ( 10.265 5.734 2.020) 11.930 16.189 ( 6.161 -4.731 1.136) 7.851 16.264 ( -3.993 -2.644 3.385) 5.865 16.354 ( -11.136 0.202 -6.337) 12.814 16.937 ( 0.714 -1.908 -1.228) 2.379 17.046 ( -1.178 -3.316 0.887) 3.629 17.181 ( -1.560 -6.051 -1.682) 6.471 17.392 ( 1.825 0.478 1.416) 2.359 19.864 ( 4.271 -1.345 -0.431) 4.498 19.950 ( -0.493 -9.711 -3.042) 10.188 20.569 ( 0.420 14.674 0.523) 14.689 20.858 ( -0.146 11.534 0.349) 11.540 21.993 ( -0.925 -15.980 1.785) 16.106 22.447 ( 0.459 -13.179 0.230) 13.189 22.882 ( 0.108 10.697 0.467) 10.708 23.270 ( 0.491 7.311 0.439) 7.340 27.216 ( 1.280 -19.527 0.586) 19.577 27.315 ( -5.080 -20.707 -3.895) 21.674 28.786 ( -1.985 23.187 -2.471) 23.403 29.324 ( 6.773 16.960 5.343) 19.028 30.474 ( -2.001 -13.452 0.226) 13.602 30.519 ( -1.978 -6.503 -1.937) 7.068 30.622 ( -5.413 -10.952 -3.407) 12.683 31.138 ( -0.379 -3.170 -2.229) 3.894 31.217 ( -0.777 -2.781 -1.543) 3.273 31.518 ( -0.579 8.750 0.720) 8.799 31.659 ( 0.641 12.640 1.186) 12.712 32.387 ( 1.163 -7.935 2.965) 8.551 32.771 ( 1.505 -12.993 1.625) 13.181 33.084 ( -2.230 4.699 -1.972) 5.563 33.566 ( 10.431 20.812 -1.455) 23.325 33.630 ( -1.283 14.881 4.595) 15.627 35.202 ( 0.118 -0.359 -0.509) 0.634 35.306 ( -0.010 -1.957 0.002) 1.957 35.437 ( -0.441 -0.863 -0.244) 0.999 35.650 ( 3.638 -1.516 -4.370) 5.885 35.748 ( -3.530 0.426 3.520) 5.003 35.763 ( -1.427 -0.117 0.740) 1.612 36.384 ( -7.035 -24.106 -4.996) 25.604 38.201 ( 5.385 17.046 5.105) 18.591 ======================= Grid point 22 (16/114) ======================= q-point: ( 0.62 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -3.028 3.306 -4.159) 6.115 2.044 ( 6.678 -12.810 2.165) 14.607 2.160 ( -4.561 -11.831 -1.752) 12.800 2.524 ( -0.482 12.329 -3.473) 12.818 2.618 ( 2.328 13.744 4.524) 14.656 2.775 ( 11.118 -5.752 -0.572) 12.531 2.895 ( -4.220 3.223 1.021) 5.407 2.970 ( -6.712 -1.219 5.703) 8.892 3.121 ( -0.270 3.179 -8.197) 8.796 3.169 ( -1.167 -2.072 0.661) 2.468 3.501 ( -0.131 -1.660 0.640) 1.784 3.605 ( -1.340 6.328 2.828) 7.059 3.666 ( 7.035 -1.490 -0.685) 7.223 3.733 ( 3.440 -3.315 -3.299) 5.806 3.875 ( -7.782 -7.133 0.621) 10.575 3.944 ( 2.157 0.047 5.080) 5.519 4.119 ( -0.136 -2.410 10.975) 11.237 4.206 ( -1.268 -1.980 -1.432) 2.753 4.381 ( 4.068 1.291 -5.857) 7.247 4.680 ( -0.985 -0.177 -3.145) 3.300 4.792 ( -1.574 -0.582 1.498) 2.249 4.839 ( -0.709 -7.244 -0.702) 7.312 4.978 ( -1.713 -0.051 -2.547) 3.070 5.302 ( -0.203 2.090 -0.262) 2.116 5.510 ( 3.400 -0.633 2.014) 4.002 5.639 ( -1.675 -3.352 1.134) 3.915 5.692 ( -1.606 10.712 -2.292) 11.072 5.785 ( -1.418 6.956 -1.485) 7.253 5.894 ( 0.711 0.086 1.233) 1.426 6.000 ( 2.764 -9.659 2.883) 10.453 7.549 ( -2.819 3.694 -1.490) 4.880 7.704 ( 0.154 1.050 1.407) 1.762 7.789 ( -2.809 2.093 -4.083) 5.380 8.258 ( 7.821 -2.031 4.190) 9.102 8.671 ( -1.894 1.600 -3.118) 3.984 8.783 ( -0.732 -3.066 -0.293) 3.166 8.989 ( 1.424 5.922 1.281) 6.224 9.047 ( 2.450 4.958 0.167) 5.533 9.160 ( -3.044 -4.315 -0.069) 5.281 9.194 ( -1.857 5.149 -1.042) 5.571 9.648 ( 2.487 2.632 2.474) 4.386 9.697 ( -1.798 2.437 -1.015) 3.194 9.844 ( -1.299 3.141 0.977) 3.536 9.963 ( 0.416 -4.832 1.200) 4.997 10.144 ( 2.443 6.933 -0.417) 7.362 10.474 ( 0.195 5.340 0.191) 5.347 11.129 ( -0.920 -3.183 -0.619) 3.370 11.317 ( -0.468 -5.500 -0.317) 5.529 11.416 ( 1.609 5.486 0.068) 5.718 11.668 ( 0.208 0.468 1.602) 1.682 11.738 ( 6.950 4.733 3.183) 8.991 11.924 ( -6.805 5.484 -2.776) 9.170 12.164 ( -0.371 -2.852 -0.078) 2.877 12.257 ( 0.312 -1.775 -1.222) 2.177 12.433 ( 6.445 -0.453 4.046) 7.623 12.550 ( 1.262 -0.543 4.571) 4.773 12.641 ( -2.713 1.316 -1.987) 3.612 12.698 ( -3.061 5.939 -4.399) 8.000 13.363 ( 4.269 -6.177 -0.835) 7.555 13.502 ( -9.551 -5.971 -3.321) 11.744 13.753 ( -0.623 -3.160 -0.348) 3.239 13.859 ( 4.590 4.990 3.377) 7.574 14.373 ( -4.326 -12.187 -2.991) 13.273 14.439 ( 1.593 18.109 0.238) 18.180 15.134 ( -0.671 -6.524 2.391) 6.980 15.179 ( -0.049 -4.648 -1.479) 4.878 15.394 ( -0.241 -1.016 0.536) 1.174 15.509 ( -2.427 -10.736 -1.463) 11.104 15.913 ( 11.818 3.480 4.688) 13.182 16.148 ( -3.002 2.455 -0.096) 3.880 16.178 ( -10.242 4.482 -6.153) 12.761 16.552 ( 3.583 -15.933 2.447) 16.513 16.967 ( -0.111 -2.190 -1.133) 2.468 17.101 ( -0.536 -2.691 1.295) 3.034 17.244 ( 0.190 -2.069 -1.258) 2.429 17.386 ( 0.022 0.970 0.467) 1.077 19.937 ( 1.413 -5.381 -0.547) 5.591 20.134 ( -0.318 -12.523 -1.114) 12.576 20.312 ( 0.040 14.739 0.215) 14.741 20.656 ( -0.028 11.375 0.642) 11.394 22.286 ( 0.051 -16.301 1.024) 16.333 22.667 ( 2.982 -0.556 -1.174) 3.252 22.703 ( -2.910 -0.778 0.964) 3.163 23.116 ( 0.164 10.561 0.166) 10.564 27.602 ( -0.681 -21.905 -0.752) 21.928 27.642 ( -1.326 -22.344 -1.010) 22.407 28.343 ( -1.306 24.406 -1.303) 24.475 29.099 ( 5.459 16.123 4.094) 17.508 30.586 ( -1.303 -6.263 -0.529) 6.419 30.653 ( -0.888 -7.086 -0.882) 7.196 30.865 ( -1.811 -17.805 -0.281) 17.899 31.166 ( -1.371 -2.109 -1.377) 2.868 31.253 ( 0.952 -1.233 -0.071) 1.559 31.348 ( -1.747 9.243 -1.739) 9.566 31.440 ( -0.369 12.408 0.403) 12.420 32.511 ( 1.135 -2.351 2.131) 3.370 32.945 ( 0.034 5.212 1.620) 5.458 33.042 ( 0.388 -11.953 -1.623) 12.068 33.262 ( 4.846 16.511 -0.011) 17.208 33.423 ( -2.070 11.251 0.910) 11.476 35.203 ( -0.117 0.059 -0.271) 0.301 35.337 ( 0.180 -1.308 -0.273) 1.348 35.442 ( -0.809 -0.510 -0.129) 0.965 35.673 ( 0.489 -0.923 -1.111) 1.525 35.746 ( 0.149 0.165 0.688) 0.723 35.779 ( 0.029 -2.071 1.187) 2.387 36.742 ( -3.292 -23.459 -2.803) 23.854 37.915 ( 2.467 20.277 2.380) 20.565 ======================= Grid point 23 (17/114) ======================= q-point: (-0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -0.000 13.497 -0.000) 13.497 1.983 ( -0.000 19.437 -0.000) 19.437 2.341 ( -0.000 0.636 -0.000) 0.636 2.408 ( -0.000 12.786 -0.000) 12.786 2.575 ( 0.000 -26.619 0.000) 26.619 2.721 ( -0.000 8.629 -0.000) 8.629 2.940 ( -0.000 2.997 -0.000) 2.997 2.970 ( -0.000 3.429 -0.000) 3.429 3.062 ( 0.000 -2.469 0.000) 2.469 3.174 ( 0.000 -1.704 0.000) 1.704 3.371 ( -0.000 19.620 -0.000) 19.620 3.527 ( -0.000 1.056 -0.000) 1.056 3.680 ( -0.000 3.262 -0.000) 3.262 3.788 ( -0.000 0.695 -0.000) 0.695 3.824 ( -0.000 0.596 -0.000) 0.596 4.031 ( 0.000 -0.303 0.000) 0.303 4.194 ( 0.000 -9.458 0.000) 9.458 4.295 ( 0.000 -5.461 0.000) 5.461 4.383 ( 0.000 -5.485 0.000) 5.485 4.651 ( 0.000 -0.377 0.000) 0.377 4.835 ( 0.000 -4.007 0.000) 4.007 4.912 ( -0.000 1.863 -0.000) 1.863 5.094 ( 0.000 -13.214 0.000) 13.214 5.277 ( -0.000 1.293 -0.000) 1.293 5.472 ( -0.000 8.694 -0.000) 8.694 5.583 ( 0.000 -2.925 0.000) 2.925 5.650 ( -0.000 7.253 -0.000) 7.253 5.718 ( 0.000 -4.597 0.000) 4.597 5.879 ( -0.000 1.998 -0.000) 1.998 6.186 ( 0.000 -7.629 0.000) 7.629 7.483 ( -0.000 1.760 -0.000) 1.760 7.713 ( 0.000 -0.517 0.000) 0.517 7.745 ( 0.000 -0.379 0.000) 0.379 8.301 ( -0.000 2.484 -0.000) 2.484 8.649 ( 0.000 -1.282 0.000) 1.282 8.835 ( 0.000 -2.453 0.000) 2.453 8.880 ( -0.000 4.493 -0.000) 4.493 9.020 ( 0.000 -0.096 0.000) 0.096 9.065 ( -0.000 7.402 -0.000) 7.402 9.247 ( 0.000 -5.035 0.000) 5.035 9.617 ( -0.000 3.822 -0.000) 3.822 9.678 ( 0.000 -3.301 0.000) 3.301 9.824 ( 0.000 -1.080 0.000) 1.080 10.021 ( -0.000 7.581 -0.000) 7.581 10.069 ( 0.000 -5.317 0.000) 5.317 10.380 ( -0.000 3.624 -0.000) 3.624 11.159 ( 0.000 -1.127 0.000) 1.127 11.346 ( -0.000 2.803 -0.000) 2.803 11.389 ( 0.000 -2.610 0.000) 2.610 11.632 ( -0.000 4.200 -0.000) 4.200 11.704 ( -0.000 3.109 -0.000) 3.109 11.764 ( -0.000 6.916 -0.000) 6.916 12.214 ( 0.000 -3.128 0.000) 3.128 12.294 ( 0.000 -2.026 0.000) 2.026 12.438 ( -0.000 11.477 -0.000) 11.477 12.511 ( -0.000 0.986 -0.000) 0.986 12.651 ( 0.000 -6.530 0.000) 6.530 12.720 ( 0.000 -9.344 0.000) 9.344 13.492 ( 0.000 -1.519 0.000) 1.519 13.577 ( 0.000 -10.727 0.000) 10.727 13.713 ( -0.000 5.973 -0.000) 5.973 13.839 ( -0.000 0.291 -0.000) 0.291 14.150 ( -0.000 14.106 -0.000) 14.106 14.524 ( 0.000 -5.952 0.000) 5.952 15.180 ( -0.000 4.416 -0.000) 4.416 15.285 ( 0.000 -9.848 0.000) 9.848 15.414 ( 0.000 -4.075 0.000) 4.075 15.633 ( 0.000 -3.477 0.000) 3.477 15.881 ( -0.000 10.707 -0.000) 10.707 16.065 ( -0.000 7.816 -0.000) 7.816 16.072 ( 0.000 -4.581 0.000) 4.581 16.839 ( 0.000 -13.046 0.000) 13.046 17.004 ( 0.000 -2.532 0.000) 2.532 17.143 ( 0.000 -1.672 0.000) 1.672 17.226 ( -0.000 3.159 -0.000) 3.159 17.390 ( 0.000 -1.232 0.000) 1.232 20.062 ( -0.000 13.378 -0.000) 13.378 20.078 ( 0.000 -10.130 0.000) 10.130 20.364 ( 0.000 -13.817 0.000) 13.817 20.465 ( -0.000 10.638 -0.000) 10.638 22.462 ( -0.000 13.490 -0.000) 13.490 22.567 ( 0.000 -14.766 0.000) 14.766 22.907 ( -0.000 13.116 -0.000) 13.116 22.907 ( 0.000 -12.150 0.000) 12.150 27.901 ( -0.000 24.295 -0.000) 24.295 27.962 ( 0.000 -20.940 0.000) 20.940 28.062 ( 0.000 -24.355 0.000) 24.355 28.890 ( -0.000 11.698 -0.000) 11.698 30.662 ( 0.000 -1.617 0.000) 1.617 30.760 ( 0.000 -5.450 0.000) 5.450 31.101 ( 0.000 -2.708 0.000) 2.708 31.146 ( -0.000 10.556 -0.000) 10.556 31.209 ( 0.000 -4.690 0.000) 4.690 31.268 ( 0.000 -0.221 0.000) 0.221 31.276 ( -0.000 0.572 -0.000) 0.572 32.467 ( -0.000 8.423 -0.000) 8.423 32.816 ( -0.000 8.467 -0.000) 8.467 33.113 ( -0.000 1.701 -0.000) 1.701 33.205 ( -0.000 12.699 -0.000) 12.699 33.278 ( 0.000 -12.826 0.000) 12.826 35.197 ( -0.000 0.411 -0.000) 0.411 35.346 ( -0.000 0.312 -0.000) 0.312 35.443 ( -0.000 0.086 -0.000) 0.086 35.684 ( 0.000 -0.498 0.000) 0.498 35.746 ( -0.000 0.102 -0.000) 0.102 35.837 ( 0.000 -3.617 0.000) 3.617 37.125 ( 0.000 -21.963 0.000) 21.963 37.577 ( -0.000 19.397 -0.000) 19.397 ======================= Grid point 28 (18/114) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.560 ( 12.100 -0.000 9.109) 15.145 1.738 ( 17.594 -0.000 22.906) 28.883 2.078 ( -7.267 0.000 5.466) 9.093 2.540 ( -5.053 0.000 -6.718) 8.406 2.645 ( 1.852 -0.000 4.906) 5.244 2.730 ( 2.558 -0.000 -6.127) 6.639 2.768 ( 14.810 -0.000 14.170) 20.497 2.895 ( 3.025 -0.000 0.633) 3.090 3.174 ( 9.390 -0.000 -9.973) 13.698 3.266 ( -1.426 0.000 -2.015) 2.469 3.290 ( 3.553 -0.000 -6.412) 7.330 3.491 ( -0.027 0.000 -15.475) 15.476 3.629 ( -2.844 0.000 -0.190) 2.850 3.659 ( -0.736 0.000 5.886) 5.932 3.743 ( -2.574 0.000 -1.602) 3.032 3.901 ( -6.137 0.000 5.663) 8.351 3.965 ( -16.307 0.000 1.891) 16.417 4.280 ( -4.865 0.000 -0.707) 4.916 4.367 ( 4.306 -0.000 1.815) 4.673 4.678 ( -1.308 0.000 4.415) 4.604 4.764 ( 3.059 -0.000 -1.138) 3.264 4.853 ( -1.721 0.000 -2.227) 2.815 5.118 ( -3.237 0.000 -0.738) 3.320 5.384 ( -4.333 0.000 -4.741) 6.423 5.462 ( 1.924 -0.000 3.863) 4.316 5.475 ( 2.489 -0.000 7.025) 7.453 5.669 ( -2.897 0.000 1.128) 3.108 5.792 ( -0.991 0.000 2.243) 2.452 6.189 ( 5.780 -0.000 1.850) 6.069 6.201 ( -1.498 0.000 -2.691) 3.079 7.704 ( 3.548 -0.000 3.182) 4.766 7.732 ( 5.568 -0.000 2.942) 6.298 8.015 ( -1.037 0.000 -5.074) 5.179 8.071 ( 4.478 -0.000 1.468) 4.712 8.774 ( -0.817 0.000 1.443) 1.658 8.876 ( -9.751 0.000 -6.581) 11.763 8.957 ( -5.227 0.000 1.379) 5.405 9.140 ( 2.151 -0.000 0.319) 2.175 9.284 ( -3.586 0.000 -2.511) 4.377 9.355 ( 4.704 -0.000 3.393) 5.800 9.658 ( 0.850 -0.000 8.517) 8.560 9.691 ( 2.736 -0.000 -0.725) 2.830 9.941 ( 1.151 -0.000 -1.812) 2.147 10.114 ( 10.577 -0.000 0.007) 10.577 10.335 ( -0.837 0.000 -0.765) 1.134 10.626 ( 1.244 -0.000 0.134) 1.251 10.906 ( -0.942 0.000 1.034) 1.399 11.160 ( -3.595 0.000 -1.883) 4.059 11.592 ( 1.573 -0.000 6.006) 6.209 11.619 ( 2.411 -0.000 3.266) 4.060 11.786 ( 5.745 -0.000 1.759) 6.008 11.849 ( -1.136 0.000 -5.436) 5.554 12.281 ( -3.085 0.000 -3.444) 4.624 12.345 ( -5.915 0.000 -3.582) 6.915 12.515 ( -5.343 0.000 -5.112) 7.395 12.531 ( 4.422 -0.000 11.175) 12.018 12.908 ( 1.641 -0.000 -3.241) 3.633 13.132 ( -0.402 0.000 -4.528) 4.546 13.311 ( -1.578 0.000 2.960) 3.355 13.360 ( 4.650 -0.000 2.497) 5.278 13.492 ( -0.307 0.000 -0.960) 1.008 13.701 ( -1.874 0.000 -1.434) 2.360 14.386 ( -15.381 0.000 -8.328) 17.490 14.693 ( -0.946 0.000 2.013) 2.224 14.695 ( 1.324 -0.000 0.680) 1.488 14.938 ( -0.458 0.000 -2.290) 2.336 14.951 ( -5.253 0.000 -1.731) 5.531 15.276 ( -1.048 0.000 0.997) 1.447 15.772 ( 11.655 -0.000 -0.342) 11.660 16.184 ( 4.468 -0.000 -0.345) 4.481 16.378 ( -6.859 0.000 0.402) 6.871 16.389 ( -4.756 0.000 2.213) 5.246 16.885 ( 0.616 -0.000 -0.646) 0.893 16.965 ( -0.197 0.000 -1.596) 1.608 16.983 ( -2.858 0.000 0.675) 2.936 17.393 ( 3.112 -0.000 2.860) 4.226 19.769 ( -0.455 0.000 -3.618) 3.646 19.872 ( 6.538 -0.000 0.815) 6.588 20.991 ( 1.112 -0.000 0.530) 1.232 21.039 ( 0.050 -0.000 -0.769) 0.770 21.641 ( -1.505 0.000 1.905) 2.428 22.130 ( 0.818 -0.000 0.852) 1.181 23.143 ( -0.377 0.000 0.339) 0.507 23.399 ( 0.572 -0.000 0.526) 0.777 26.833 ( -0.079 0.000 -0.069) 0.105 26.842 ( -0.096 0.000 -0.101) 0.139 29.459 ( -1.341 0.000 -3.217) 3.485 29.589 ( 3.623 -0.000 3.262) 4.875 29.951 ( -3.638 0.000 0.052) 3.639 30.450 ( -3.505 0.000 -2.478) 4.293 30.462 ( -3.601 0.000 -2.772) 4.544 31.075 ( -1.308 0.000 -3.149) 3.410 31.133 ( -0.720 0.000 -1.697) 1.843 31.741 ( -1.287 0.000 1.992) 2.372 32.007 ( 3.244 -0.000 1.965) 3.793 32.127 ( 1.385 -0.000 1.325) 1.917 32.442 ( 0.372 -0.000 1.842) 1.879 33.172 ( -2.343 0.000 -2.048) 3.112 33.776 ( -0.949 0.000 0.495) 1.070 34.406 ( 4.259 -0.000 -6.119) 7.455 35.187 ( -0.470 0.000 0.190) 0.507 35.265 ( 1.600 -0.000 -2.456) 2.931 35.441 ( 2.482 -0.000 -0.367) 2.509 35.633 ( -1.982 0.000 0.627) 2.078 35.643 ( -4.923 0.000 3.255) 5.901 35.768 ( -2.415 0.000 3.353) 4.132 35.793 ( -2.206 0.000 -4.989) 5.455 38.536 ( 6.940 -0.000 6.283) 9.362 ======================= Grid point 29 (19/114) ======================= q-point: ( 0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.691 ( 6.460 -2.381 6.099) 9.198 1.858 ( 6.893 10.077 5.182) 13.263 2.085 ( -3.544 -2.569 2.428) 5.005 2.427 ( 0.982 -8.285 -2.576) 8.732 2.691 ( -2.238 0.309 2.639) 3.474 2.822 ( 5.280 1.521 3.965) 6.776 2.980 ( 0.489 -9.108 -3.012) 9.605 3.029 ( 5.573 -9.870 8.027) 13.889 3.143 ( 2.757 9.235 -6.278) 11.502 3.176 ( -0.305 -3.375 -9.049) 9.662 3.281 ( -1.285 1.821 2.315) 3.213 3.516 ( 1.150 -6.695 -6.831) 9.634 3.615 ( -4.647 -3.536 -2.247) 6.257 3.653 ( 0.857 2.251 0.932) 2.583 3.713 ( 0.766 0.825 0.540) 1.248 3.889 ( -7.765 -2.536 4.600) 9.374 3.941 ( -2.930 -3.129 2.199) 4.818 4.239 ( -2.844 0.463 -0.837) 3.000 4.421 ( 5.456 0.491 3.196) 6.342 4.637 ( 0.694 4.809 1.229) 5.012 4.767 ( 0.121 0.096 4.797) 4.799 4.864 ( -1.079 -1.967 -7.089) 7.435 5.052 ( -2.693 3.442 -1.557) 4.639 5.365 ( -3.529 -5.406 -2.931) 7.090 5.487 ( 0.159 3.980 4.924) 6.333 5.523 ( 2.834 -0.597 1.873) 3.449 5.696 ( 0.131 -4.645 1.786) 4.978 5.823 ( -0.484 -2.657 1.524) 3.101 6.102 ( -1.582 7.412 -2.865) 8.102 6.152 ( 2.639 8.763 0.702) 9.178 7.707 ( 2.754 3.781 1.173) 4.822 7.780 ( 1.811 1.984 2.636) 3.764 7.930 ( -2.366 4.274 -3.726) 6.144 8.136 ( 4.378 -3.663 1.471) 5.895 8.713 ( -2.484 1.425 -0.969) 3.023 8.826 ( -2.074 2.513 -2.421) 4.059 8.937 ( -3.642 -3.221 0.299) 4.871 9.137 ( 0.695 2.152 -0.137) 2.266 9.256 ( -2.565 -1.030 -1.235) 3.028 9.342 ( 2.002 5.728 0.945) 6.141 9.675 ( -0.301 1.360 1.878) 2.338 9.751 ( 3.755 -2.533 1.978) 4.942 9.893 ( -0.783 4.015 -0.064) 4.091 10.173 ( 7.827 5.510 1.145) 9.640 10.279 ( -1.955 2.181 -0.007) 2.929 10.618 ( 1.278 2.125 0.648) 2.563 10.953 ( -0.218 -4.793 0.421) 4.817 11.150 ( -1.687 -2.372 -1.080) 3.105 11.613 ( 2.173 4.010 1.603) 4.834 11.636 ( 0.240 -0.454 3.314) 3.354 11.818 ( 1.919 -0.503 -0.083) 1.985 11.877 ( 2.723 -3.717 -0.041) 4.607 12.221 ( -5.039 2.731 -2.829) 6.391 12.271 ( -2.351 0.656 -1.888) 3.086 12.467 ( -1.857 -1.245 -2.642) 3.461 12.601 ( 3.729 0.370 8.978) 9.728 12.811 ( -0.047 8.171 -2.208) 8.464 12.938 ( -2.874 14.976 -5.993) 16.385 13.244 ( -0.038 -0.328 -0.983) 1.037 13.465 ( 0.906 0.294 2.660) 2.826 13.635 ( -0.250 -3.078 0.928) 3.224 13.709 ( 3.572 -12.766 -0.050) 13.256 14.199 ( -10.097 4.593 -5.189) 12.246 14.797 ( 0.721 -11.530 -0.149) 11.554 14.877 ( -0.360 -1.796 5.797) 6.079 14.941 ( 0.450 -14.669 -2.761) 14.933 15.018 ( -3.710 -7.131 -2.852) 8.529 15.208 ( -0.529 3.761 -0.563) 3.840 15.954 ( 8.788 -9.540 0.274) 12.974 16.165 ( 2.393 3.465 1.705) 4.543 16.285 ( -8.122 4.611 -1.133) 9.408 16.328 ( -1.387 3.711 0.125) 3.963 16.897 ( -0.219 -1.395 -0.689) 1.571 16.995 ( 0.843 -3.092 0.009) 3.205 17.037 ( -1.919 -6.886 -0.279) 7.154 17.421 ( 1.423 0.333 1.269) 1.935 19.798 ( -0.231 -5.362 -1.859) 5.680 19.900 ( 3.187 1.328 0.219) 3.460 20.824 ( 0.365 13.258 0.188) 13.264 21.027 ( 0.059 6.157 -0.130) 6.159 21.743 ( -0.642 -11.286 0.937) 11.343 22.239 ( 0.368 -10.134 0.365) 10.147 23.062 ( 0.012 8.316 0.312) 8.322 23.373 ( 0.387 3.721 0.326) 3.755 26.939 ( 0.244 -11.872 0.099) 11.875 26.970 ( -0.956 -13.520 -0.760) 13.575 29.157 ( -1.168 21.327 -1.769) 21.432 29.615 ( 2.994 7.903 2.720) 8.878 30.130 ( -1.935 -19.003 -0.162) 19.102 30.430 ( -1.566 -1.974 -1.533) 2.950 30.463 ( -2.640 -3.632 -1.712) 4.805 31.074 ( -0.606 -2.091 -1.516) 2.653 31.151 ( -0.157 -3.012 -0.866) 3.138 31.669 ( -0.294 7.259 0.790) 7.308 31.889 ( 0.862 11.699 0.760) 11.755 32.253 ( 0.850 -8.577 1.138) 8.694 32.567 ( 0.491 -10.996 0.932) 11.046 33.126 ( -1.353 2.544 -1.149) 3.102 33.726 ( -0.449 5.163 0.123) 5.184 34.139 ( 3.568 25.259 -0.540) 25.515 35.190 ( -0.135 -0.610 -0.393) 0.738 35.275 ( 0.150 -1.288 -0.292) 1.329 35.431 ( 0.188 0.653 0.114) 0.690 35.629 ( 2.050 -0.979 -2.531) 3.402 35.739 ( -0.923 -1.164 1.433) 2.064 35.760 ( -2.507 0.104 2.470) 3.520 35.909 ( -3.482 -20.847 -2.819) 21.322 38.509 ( 3.478 10.466 3.181) 11.478 ======================= Grid point 30 (20/114) ======================= q-point: ( 0.62 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 0.000 -6.290 0.000) 6.290 1.808 ( 0.000 -3.803 0.000) 3.803 2.104 ( 0.000 -0.171 0.000) 0.171 2.649 ( 0.000 -5.556 0.000) 5.556 2.708 ( 0.000 -5.053 0.000) 5.053 2.805 ( -0.000 0.804 -0.000) 0.804 2.904 ( -0.000 15.001 -0.000) 15.001 3.047 ( -0.000 2.086 -0.000) 2.086 3.101 ( 0.000 -2.902 0.000) 2.902 3.185 ( -0.000 6.581 -0.000) 6.581 3.390 ( 0.000 -11.204 0.000) 11.204 3.627 ( 0.000 -7.330 0.000) 7.330 3.654 ( 0.000 -2.020 0.000) 2.020 3.664 ( 0.000 -2.111 0.000) 2.111 3.737 ( 0.000 -3.233 0.000) 3.233 3.926 ( 0.000 -3.181 0.000) 3.181 4.019 ( 0.000 -5.916 0.000) 5.916 4.225 ( 0.000 -0.150 0.000) 0.150 4.436 ( -0.000 2.138 -0.000) 2.138 4.616 ( 0.000 -2.847 0.000) 2.847 4.787 ( 0.000 -0.132 0.000) 0.132 4.808 ( -0.000 3.671 -0.000) 3.671 4.987 ( -0.000 1.771 -0.000) 1.771 5.390 ( -0.000 6.825 -0.000) 6.825 5.454 ( 0.000 -5.337 0.000) 5.337 5.570 ( 0.000 -3.269 0.000) 3.269 5.837 ( 0.000 -9.343 0.000) 9.343 5.861 ( -0.000 0.673 -0.000) 0.673 5.931 ( -0.000 8.984 -0.000) 8.984 5.954 ( -0.000 12.429 -0.000) 12.429 7.626 ( -0.000 5.953 -0.000) 5.953 7.739 ( -0.000 2.402 -0.000) 2.402 7.827 ( -0.000 4.722 -0.000) 4.722 8.246 ( 0.000 -4.361 0.000) 4.361 8.715 ( -0.000 0.356 -0.000) 0.356 8.724 ( -0.000 2.281 -0.000) 2.281 9.027 ( 0.000 -6.934 0.000) 6.934 9.080 ( -0.000 3.901 -0.000) 3.901 9.211 ( -0.000 9.295 -0.000) 9.295 9.246 ( -0.000 1.541 -0.000) 1.541 9.655 ( -0.000 0.352 -0.000) 0.352 9.790 ( -0.000 6.252 -0.000) 6.252 9.841 ( 0.000 -4.258 0.000) 4.258 10.032 ( -0.000 10.410 -0.000) 10.410 10.246 ( -0.000 3.288 -0.000) 3.288 10.569 ( -0.000 4.438 -0.000) 4.438 11.048 ( 0.000 -5.334 0.000) 5.334 11.211 ( 0.000 -5.406 0.000) 5.406 11.529 ( -0.000 6.150 -0.000) 6.150 11.660 ( 0.000 -1.100 0.000) 1.100 11.857 ( -0.000 0.043 -0.000) 0.043 11.918 ( -0.000 0.522 -0.000) 0.522 12.135 ( -0.000 0.934 -0.000) 0.934 12.253 ( -0.000 1.099 -0.000) 1.099 12.480 ( 0.000 -0.270 0.000) 0.270 12.641 ( -0.000 9.584 -0.000) 9.584 12.674 ( -0.000 5.756 -0.000) 5.756 12.698 ( 0.000 -2.565 0.000) 2.565 13.279 ( 0.000 -4.552 0.000) 4.552 13.422 ( -0.000 2.726 -0.000) 2.726 13.683 ( 0.000 -4.282 0.000) 4.282 14.016 ( -0.000 7.699 -0.000) 7.699 14.059 ( 0.000 -18.019 0.000) 18.019 14.754 ( -0.000 14.855 -0.000) 14.855 15.027 ( 0.000 -11.807 0.000) 11.807 15.051 ( 0.000 -3.107 0.000) 3.107 15.263 ( 0.000 -14.686 0.000) 14.686 15.284 ( 0.000 -11.177 0.000) 11.177 16.076 ( -0.000 2.117 -0.000) 2.117 16.123 ( -0.000 6.131 -0.000) 6.131 16.239 ( -0.000 5.227 -0.000) 5.227 16.286 ( 0.000 -15.152 0.000) 15.152 16.925 ( 0.000 -2.116 0.000) 2.116 17.054 ( 0.000 -2.885 0.000) 2.885 17.157 ( 0.000 -6.725 0.000) 6.725 17.414 ( -0.000 1.370 -0.000) 1.370 19.895 ( 0.000 -0.260 0.000) 0.260 19.929 ( 0.000 -9.890 0.000) 9.890 20.576 ( -0.000 14.780 -0.000) 14.780 20.859 ( -0.000 11.324 -0.000) 11.324 21.997 ( 0.000 -16.255 0.000) 16.255 22.453 ( 0.000 -13.040 0.000) 13.040 22.886 ( -0.000 11.067 -0.000) 11.067 23.277 ( -0.000 7.414 -0.000) 7.414 27.228 ( 0.000 -19.695 0.000) 19.695 27.260 ( 0.000 -19.546 0.000) 19.546 28.754 ( -0.000 23.113 -0.000) 23.113 29.414 ( -0.000 15.563 -0.000) 15.563 30.480 ( 0.000 -4.721 0.000) 4.721 30.494 ( 0.000 -21.629 0.000) 21.629 30.531 ( 0.000 -5.897 0.000) 5.897 31.112 ( 0.000 -2.717 0.000) 2.717 31.211 ( 0.000 -3.487 0.000) 3.487 31.517 ( -0.000 9.723 -0.000) 9.723 31.671 ( -0.000 13.156 -0.000) 13.156 32.413 ( 0.000 -8.283 0.000) 8.283 32.795 ( 0.000 -13.654 0.000) 13.654 33.052 ( -0.000 4.824 -0.000) 4.824 33.598 ( -0.000 8.966 -0.000) 8.966 33.682 ( -0.000 26.448 -0.000) 26.448 35.198 ( 0.000 -0.405 0.000) 0.405 35.305 ( 0.000 -1.978 0.000) 1.978 35.430 ( 0.000 -0.394 0.000) 0.394 35.652 ( 0.000 -1.341 0.000) 1.341 35.753 ( 0.000 -1.036 0.000) 1.036 35.754 ( -0.000 0.276 -0.000) 0.276 36.298 ( 0.000 -24.216 0.000) 24.216 38.274 ( -0.000 17.795 -0.000) 17.795 ======================= Grid point 39 (21/114) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 66 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( 0.000 -0.000 0.000) 0.000 2.053 ( 0.000 -0.000 0.000) 0.000 2.160 ( 0.000 -0.000 0.000) 0.000 2.280 ( -0.000 0.000 -0.000) 0.000 2.668 ( 0.000 -0.000 0.000) 0.000 2.739 ( 0.000 -0.000 0.000) 0.000 2.892 ( 0.000 -0.000 0.000) 0.000 2.990 ( 0.000 -0.000 0.000) 0.000 3.175 ( 0.000 -0.000 0.000) 0.000 3.255 ( 0.000 -0.000 0.000) 0.000 3.298 ( 0.000 -0.000 0.000) 0.000 3.415 ( 0.000 -0.000 0.000) 0.000 3.548 ( -0.000 0.000 0.000) 0.000 3.690 ( 0.000 -0.000 -0.000) 0.000 3.729 ( 0.000 -0.000 0.000) 0.000 3.828 ( 0.000 -0.000 0.000) 0.000 3.914 ( 0.000 -0.000 0.000) 0.000 4.228 ( 0.000 -0.000 0.000) 0.000 4.457 ( 0.000 -0.000 0.000) 0.000 4.738 ( 0.000 -0.000 0.000) 0.000 4.770 ( 0.000 -0.000 0.000) 0.000 4.795 ( 0.000 -0.000 0.000) 0.000 5.076 ( 0.000 -0.000 -0.000) 0.000 5.272 ( 0.000 -0.000 0.000) 0.000 5.543 ( 0.000 -0.000 0.000) 0.000 5.553 ( 0.000 -0.000 0.000) 0.000 5.648 ( 0.000 -0.000 0.000) 0.000 5.794 ( 0.000 -0.000 0.000) 0.000 6.160 ( 0.000 -0.000 0.000) 0.000 6.247 ( 0.000 -0.000 0.000) 0.000 7.768 ( 0.000 -0.000 0.000) 0.000 7.833 ( 0.000 -0.000 0.000) 0.000 7.944 ( 0.000 -0.000 0.000) 0.000 8.104 ( 0.000 -0.000 0.000) 0.000 8.732 ( 0.000 -0.000 0.000) 0.000 8.775 ( 0.000 -0.000 0.000) 0.000 8.940 ( 0.000 -0.000 0.000) 0.000 9.164 ( -0.000 0.000 0.000) 0.000 9.216 ( 0.000 -0.000 0.000) 0.000 9.408 ( 0.000 -0.000 0.000) 0.000 9.717 ( 0.000 -0.000 0.000) 0.000 9.730 ( 0.000 -0.000 0.000) 0.000 9.927 ( 0.000 -0.000 0.000) 0.000 10.255 ( -0.000 0.000 0.000) 0.000 10.296 ( 0.000 -0.000 0.000) 0.000 10.640 ( 0.000 -0.000 0.000) 0.000 10.908 ( 0.000 -0.000 0.000) 0.000 11.120 ( 0.000 -0.000 0.000) 0.000 11.647 ( 0.000 -0.000 0.000) 0.000 11.669 ( 0.000 -0.000 -0.000) 0.000 11.795 ( 0.000 -0.000 0.000) 0.000 11.865 ( 0.000 -0.000 0.000) 0.000 12.232 ( 0.000 -0.000 0.000) 0.000 12.239 ( 0.000 -0.000 0.000) 0.000 12.412 ( 0.000 -0.000 -0.000) 0.000 12.635 ( 0.000 -0.000 -0.000) 0.000 12.917 ( 0.000 -0.000 0.000) 0.000 13.096 ( 0.000 -0.000 0.000) 0.000 13.319 ( 0.000 -0.000 0.000) 0.000 13.453 ( 0.000 -0.000 0.000) 0.000 13.484 ( -0.000 0.000 0.000) 0.000 13.645 ( 0.000 -0.000 0.000) 0.000 14.197 ( 0.000 -0.000 0.000) 0.000 14.697 ( 0.000 -0.000 0.000) 0.000 14.710 ( 0.000 -0.000 0.000) 0.000 14.908 ( 0.000 -0.000 0.000) 0.000 14.919 ( 0.000 -0.000 0.000) 0.000 15.273 ( 0.000 -0.000 0.000) 0.000 15.880 ( 0.000 -0.000 0.000) 0.000 16.226 ( 0.000 -0.000 0.000) 0.000 16.308 ( 0.000 -0.000 0.000) 0.000 16.356 ( 0.000 -0.000 0.000) 0.000 16.887 ( 0.000 -0.000 0.000) 0.000 16.957 ( 0.000 -0.000 0.000) 0.000 16.963 ( 0.000 -0.000 0.000) 0.000 17.434 ( 0.000 -0.000 0.000) 0.000 19.744 ( 0.000 -0.000 0.000) 0.000 19.929 ( 0.000 -0.000 0.000) 0.000 21.003 ( 0.000 -0.000 0.000) 0.000 21.035 ( 0.000 -0.000 0.000) 0.000 21.640 ( 0.000 -0.000 0.000) 0.000 22.142 ( 0.000 -0.000 0.000) 0.000 23.142 ( 0.000 -0.000 0.000) 0.000 23.408 ( 0.000 -0.000 0.000) 0.000 26.832 ( 0.000 -0.000 0.000) 0.000 26.840 ( 0.000 -0.000 0.000) 0.000 29.419 ( 0.000 -0.000 0.000) 0.000 29.639 ( 0.000 -0.000 0.000) 0.000 29.933 ( 0.000 -0.000 0.000) 0.000 30.405 ( 0.000 -0.000 0.000) 0.000 30.414 ( 0.000 -0.000 0.000) 0.000 31.048 ( 0.000 -0.000 0.000) 0.000 31.118 ( 0.000 -0.000 0.000) 0.000 31.742 ( 0.000 -0.000 0.000) 0.000 32.045 ( 0.000 -0.000 0.000) 0.000 32.146 ( 0.000 -0.000 0.000) 0.000 32.456 ( 0.000 -0.000 0.000) 0.000 33.140 ( 0.000 -0.000 0.000) 0.000 33.771 ( 0.000 -0.000 0.000) 0.000 34.404 ( 0.000 -0.000 0.000) 0.000 35.182 ( 0.000 -0.000 0.000) 0.000 35.263 ( 0.000 -0.000 0.000) 0.000 35.461 ( 0.000 -0.000 0.000) 0.000 35.620 ( 0.000 -0.000 -0.000) 0.000 35.630 ( 0.000 -0.000 0.000) 0.000 35.740 ( 0.000 -0.000 0.000) 0.000 35.769 ( -0.000 0.000 0.000) 0.000 38.627 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 69 (22/114) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 11.244 -0.000 28.725) 30.847 0.697 ( 0.212 -0.000 31.223) 31.224 1.132 ( 10.834 -0.000 50.321) 51.474 1.958 ( 0.702 -0.000 4.656) 4.708 2.334 ( 2.655 -0.000 8.396) 8.806 2.397 ( 11.473 -0.000 7.258) 13.576 2.608 ( -2.379 0.000 -0.604) 2.455 2.970 ( -1.663 0.000 -2.115) 2.690 3.147 ( 1.599 -0.000 2.885) 3.298 3.295 ( 0.069 -0.000 -15.965) 15.965 3.315 ( 2.107 -0.000 -7.540) 7.829 3.537 ( -1.529 0.000 -3.963) 4.247 3.663 ( 0.813 -0.000 -0.824) 1.158 3.716 ( -0.547 0.000 1.743) 1.827 4.055 ( -1.950 0.000 -8.433) 8.656 4.186 ( -1.793 0.000 -1.829) 2.561 4.385 ( -7.975 0.000 5.568) 9.726 4.458 ( 0.614 -0.000 -5.220) 5.256 4.533 ( 0.459 -0.000 -0.044) 0.461 4.721 ( 6.025 -0.000 -12.340) 13.732 4.875 ( 1.308 -0.000 -2.027) 2.412 4.976 ( -13.289 0.000 6.984) 15.012 5.139 ( -5.299 0.000 5.004) 7.289 5.351 ( 1.490 -0.000 3.630) 3.924 5.406 ( -4.050 0.000 -4.883) 6.344 5.709 ( 9.970 -0.000 -1.062) 10.026 5.778 ( -0.437 0.000 5.219) 5.238 5.827 ( -2.550 0.000 5.844) 6.376 6.034 ( -5.067 0.000 -0.539) 5.095 6.155 ( 0.635 -0.000 0.872) 1.079 7.465 ( 3.691 -0.000 3.104) 4.823 7.754 ( -10.243 0.000 -4.714) 11.276 7.818 ( -3.105 0.000 -1.365) 3.392 7.975 ( -4.881 0.000 3.249) 5.863 8.810 ( 0.075 -0.000 3.487) 3.488 8.940 ( 6.639 -0.000 1.547) 6.817 8.941 ( 1.912 -0.000 -0.907) 2.116 9.049 ( -0.291 0.000 -0.614) 0.679 9.255 ( -1.043 0.000 8.309) 8.374 9.428 ( -0.947 0.000 -1.768) 2.005 9.512 ( 5.336 -0.000 1.450) 5.529 9.739 ( -1.426 0.000 0.796) 1.633 9.850 ( 0.681 -0.000 -2.808) 2.889 10.129 ( -4.196 0.000 -6.964) 8.130 10.315 ( -2.232 0.000 2.610) 3.434 10.771 ( -6.518 0.000 -10.475) 12.338 11.051 ( 0.583 -0.000 0.739) 0.942 11.361 ( -0.144 0.000 0.429) 0.452 11.442 ( 2.097 -0.000 -2.826) 3.519 11.474 ( 1.305 -0.000 7.377) 7.492 11.541 ( -3.437 0.000 -1.503) 3.751 11.806 ( 2.685 -0.000 -3.464) 4.382 12.191 ( 11.099 -0.000 10.805) 15.490 12.354 ( 0.300 -0.000 -0.909) 0.958 12.435 ( -14.575 0.000 4.592) 15.281 12.456 ( 5.724 -0.000 1.548) 5.929 13.016 ( 6.602 -0.000 -11.690) 13.426 13.085 ( -1.859 0.000 -5.241) 5.561 13.417 ( 2.253 -0.000 2.132) 3.102 13.457 ( -0.063 0.000 -3.379) 3.380 13.596 ( -4.753 0.000 3.477) 5.889 13.716 ( 0.401 -0.000 1.938) 1.979 14.619 ( 4.313 -0.000 -0.529) 4.345 14.653 ( 0.832 -0.000 0.846) 1.186 14.830 ( 32.281 -0.000 1.811) 32.332 14.838 ( -3.112 0.000 -2.891) 4.248 15.059 ( 4.741 -0.000 4.854) 6.786 15.314 ( 1.170 -0.000 1.129) 1.626 15.494 ( 28.211 -0.000 -0.935) 28.227 15.914 ( -13.231 0.000 -9.094) 16.055 16.448 ( 2.365 -0.000 6.965) 7.356 16.531 ( 1.829 -0.000 2.192) 2.855 16.935 ( -2.250 0.000 -1.918) 2.957 16.996 ( 2.010 -0.000 -3.429) 3.974 17.105 ( 6.061 -0.000 3.992) 7.257 17.205 ( -5.701 0.000 4.995) 7.580 19.547 ( 1.428 -0.000 -0.765) 1.620 19.849 ( -3.354 0.000 -5.436) 6.388 20.937 ( -0.170 0.000 1.167) 1.180 21.114 ( -3.639 0.000 -1.325) 3.873 21.881 ( -8.518 0.000 1.052) 8.583 22.045 ( 2.578 -0.000 -1.736) 3.108 23.152 ( -1.373 0.000 1.107) 1.764 23.374 ( 1.138 -0.000 -1.811) 2.139 26.840 ( -0.058 0.000 0.073) 0.093 26.849 ( -0.022 0.000 -0.059) 0.063 29.324 ( 5.571 -0.000 2.740) 6.208 29.460 ( 0.197 -0.000 2.125) 2.134 30.318 ( -8.484 0.000 1.655) 8.644 30.633 ( -0.289 0.000 -2.270) 2.288 30.654 ( -2.873 0.000 0.183) 2.879 30.945 ( 107.084 -0.000 -3.324) 107.136 31.293 ( -4.893 0.000 1.375) 5.083 31.327 ( 20.126 -0.000 0.123) 20.127 31.778 ( 2.575 -0.000 2.737) 3.758 31.892 ( -0.938 0.000 0.289) 0.981 32.200 ( 11.496 -0.000 3.506) 12.018 32.386 ( 0.732 -0.000 1.189) 1.396 33.318 ( -1.544 0.000 -0.323) 1.578 33.773 ( 3.352 -0.000 -3.023) 4.514 35.191 ( -0.912 0.000 2.716) 2.865 35.278 ( 0.022 -0.000 1.579) 1.579 35.385 ( -0.428 0.000 0.684) 0.807 35.763 ( -0.512 0.000 -1.316) 1.413 35.766 ( 1.056 -0.000 -3.306) 3.470 36.015 ( -4.831 0.000 -3.404) 5.910 37.939 ( -83.439 0.000 -0.161) 83.439 37.954 ( 12.120 -0.000 -1.407) 12.201 ======================= Grid point 70 (23/114) ======================= q-point: ( 0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 12.256 -12.568 20.707) 27.147 1.027 ( 5.669 -15.170 23.020) 28.146 1.730 ( 18.069 -19.887 32.289) 42.006 2.031 ( 10.345 -2.048 1.697) 10.681 2.399 ( 2.904 0.658 5.082) 5.890 2.522 ( -0.220 -1.547 3.307) 3.657 2.608 ( 0.989 0.923 0.883) 1.616 2.787 ( 7.006 3.236 2.032) 7.980 3.207 ( 1.798 -2.619 2.335) 3.942 3.297 ( 0.689 -1.033 -7.209) 7.315 3.372 ( 1.087 -7.042 -4.781) 8.581 3.498 ( -4.268 -1.199 -6.992) 8.279 3.625 ( 0.523 3.395 0.231) 3.442 3.767 ( 0.716 -2.917 1.930) 3.570 3.936 ( -3.046 3.154 -10.645) 11.513 4.128 ( -2.272 4.527 -2.404) 5.607 4.295 ( -11.385 3.634 2.590) 12.228 4.449 ( 0.077 -1.115 -5.656) 5.765 4.593 ( -3.117 -3.852 -0.475) 4.978 4.670 ( 1.095 2.592 -6.751) 7.314 4.841 ( -4.695 -2.801 -8.576) 10.170 5.041 ( -5.515 -5.948 9.531) 12.516 5.077 ( -1.157 6.868 0.567) 6.988 5.311 ( -1.267 -1.925 2.064) 3.093 5.389 ( -0.324 2.306 7.248) 7.613 5.667 ( 6.108 9.424 4.169) 11.979 5.744 ( -1.338 0.943 -0.007) 1.637 5.886 ( 1.458 -0.021 4.149) 4.398 5.961 ( -5.191 1.602 -0.520) 5.458 6.149 ( -1.851 1.248 -2.244) 3.166 7.557 ( 8.294 -1.552 4.355) 9.495 7.674 ( -3.526 -0.017 -1.415) 3.799 7.801 ( -3.121 -0.827 -1.066) 3.400 7.981 ( 2.907 -0.056 -0.105) 2.910 8.791 ( -1.863 3.159 1.920) 4.140 8.935 ( 1.908 3.803 1.868) 4.647 8.958 ( 2.908 1.100 1.499) 3.452 9.024 ( 4.236 3.311 -1.966) 5.724 9.280 ( -0.507 1.728 7.864) 8.068 9.429 ( -3.599 -4.134 -0.032) 5.481 9.602 ( 4.400 -2.003 3.569) 6.009 9.713 ( 5.619 6.977 -0.730) 8.988 9.783 ( -3.471 -1.481 -0.455) 3.801 10.028 ( -3.805 3.541 -5.613) 7.650 10.271 ( -0.649 4.201 0.970) 4.360 10.612 ( -3.535 5.856 -6.396) 9.365 11.116 ( -5.134 -6.657 -1.167) 8.487 11.324 ( -3.438 0.990 -4.440) 5.702 11.369 ( 3.180 5.908 2.460) 7.146 11.551 ( 4.228 -1.304 -0.514) 4.454 11.584 ( 1.612 -4.359 5.904) 7.514 11.752 ( 5.401 5.187 2.117) 7.782 12.135 ( 1.495 7.437 13.709) 15.668 12.363 ( -0.177 1.423 1.112) 1.814 12.388 ( 0.429 2.492 2.576) 3.610 12.537 ( 3.005 -0.737 -0.442) 3.126 12.960 ( 4.038 3.255 -9.568) 10.883 13.046 ( -1.563 -0.213 -7.127) 7.299 13.341 ( -5.316 2.192 1.905) 6.057 13.505 ( 1.475 -2.121 -1.863) 3.185 13.635 ( -3.872 -5.280 3.196) 7.286 13.735 ( -0.783 -1.077 0.755) 1.531 14.487 ( 12.859 12.995 7.976) 19.946 14.580 ( -0.420 5.312 -1.256) 5.475 14.828 ( -0.572 -10.431 4.942) 11.557 15.068 ( -0.652 -8.925 -1.263) 9.037 15.310 ( -5.646 -9.448 -4.979) 12.080 15.430 ( 4.899 -9.993 1.417) 11.219 15.623 ( -0.648 3.347 -6.400) 7.251 15.994 ( 2.309 -5.821 -9.521) 11.395 16.452 ( -1.458 3.624 1.066) 4.049 16.690 ( -2.150 -14.762 -11.099) 18.594 16.906 ( -2.358 -0.076 -1.641) 2.873 17.027 ( 2.981 -4.745 -5.135) 7.601 17.201 ( 2.959 -2.038 3.482) 5.003 17.207 ( -2.539 -2.666 4.268) 5.636 19.599 ( 4.005 -3.327 -0.853) 5.276 19.823 ( 1.097 -3.723 -7.720) 8.641 20.805 ( -0.890 12.261 2.510) 12.547 21.028 ( -0.253 7.590 -1.193) 7.687 21.898 ( -7.252 -8.381 6.017) 12.611 22.170 ( 2.730 -11.167 -1.486) 11.591 23.074 ( -2.491 6.824 1.396) 7.398 23.345 ( 0.949 3.741 -2.512) 4.605 26.927 ( -0.039 -9.736 0.442) 9.746 27.242 ( -9.738 -34.430 -17.685) 39.913 29.203 ( 4.672 17.316 2.949) 18.176 29.331 ( 2.126 15.858 0.628) 16.012 30.373 ( -3.185 -10.208 1.375) 10.782 30.642 ( -5.359 -2.356 0.984) 5.937 30.654 ( -1.675 -4.763 -2.469) 5.620 31.023 ( 10.255 5.726 2.317) 11.971 31.332 ( -3.088 -3.646 -3.723) 6.057 31.635 ( 7.975 7.449 1.647) 11.036 31.773 ( 0.454 10.056 0.654) 10.087 32.000 ( 33.980 -8.576 -10.701) 36.643 32.456 ( 29.385 -4.110 -4.250) 29.974 32.530 ( 13.822 -9.346 -2.614) 16.889 33.280 ( -2.515 2.329 -0.194) 3.433 33.741 ( 2.755 4.235 -3.111) 5.933 35.209 ( -1.010 -0.850 3.059) 3.332 35.298 ( 0.019 -1.061 2.046) 2.305 35.400 ( -0.234 -1.215 1.781) 2.169 35.607 ( -0.588 5.040 -1.631) 5.330 35.927 ( -6.035 -1.918 -2.579) 6.837 35.953 ( -0.499 -5.996 -3.266) 6.846 37.139 ( -58.365 15.489 24.211) 65.058 38.015 ( 11.781 6.377 0.277) 13.399 ======================= Grid point 71 (24/114) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.423 ( 9.527 -15.787 16.219) 24.557 1.489 ( 7.185 -20.942 5.825) 22.894 2.071 ( 12.664 -1.822 -0.369) 12.800 2.269 ( 3.402 3.332 -3.474) 5.894 2.321 ( 6.830 -5.321 7.999) 11.787 2.629 ( 2.532 -6.271 -1.243) 6.876 2.808 ( 9.197 -17.866 15.114) 25.144 3.000 ( 5.507 -7.090 7.092) 11.440 3.176 ( -4.640 7.100 -7.984) 11.648 3.253 ( -1.640 1.014 3.497) 3.993 3.444 ( 7.310 1.705 2.869) 8.035 3.489 ( -1.394 -4.143 -6.430) 7.775 3.579 ( 0.873 1.695 -2.274) 2.968 3.740 ( -6.345 0.770 -12.098) 13.682 3.892 ( 1.489 -1.089 5.765) 6.053 4.017 ( 2.181 5.018 1.413) 5.651 4.138 ( -13.160 4.889 3.514) 14.472 4.384 ( -2.590 3.748 -7.758) 8.997 4.555 ( -5.115 2.665 -2.079) 6.131 4.625 ( -4.541 -2.705 0.503) 5.309 4.849 ( -3.909 -4.669 -6.074) 8.601 4.930 ( 0.459 2.584 -4.662) 5.350 5.172 ( -5.434 -4.238 1.920) 7.154 5.366 ( -0.876 2.730 5.031) 5.791 5.411 ( 0.013 -2.586 8.133) 8.534 5.574 ( 9.000 8.594 1.751) 12.567 5.713 ( -0.937 -0.835 -2.973) 3.227 5.862 ( 2.766 4.149 -0.429) 5.005 5.930 ( -1.206 2.006 5.084) 5.597 6.053 ( -7.408 2.513 -5.230) 9.410 7.638 ( 3.729 -0.090 2.327) 4.397 7.697 ( 3.507 -1.960 0.354) 4.034 7.788 ( -0.119 0.655 1.180) 1.355 8.003 ( 0.428 -1.603 -3.690) 4.046 8.720 ( -1.750 2.744 0.435) 3.283 8.867 ( -0.218 3.804 -2.047) 4.325 8.944 ( 1.471 2.295 -0.048) 2.727 8.991 ( 5.695 4.369 0.161) 7.180 9.289 ( -0.098 1.742 6.686) 6.910 9.462 ( -6.750 1.092 -0.128) 6.839 9.511 ( 2.130 5.737 -3.041) 6.834 9.728 ( 8.107 1.812 -0.162) 8.308 9.851 ( -0.083 -2.378 5.401) 5.902 9.938 ( -5.084 -1.904 1.341) 5.592 10.183 ( 0.249 5.683 -1.046) 5.784 10.487 ( -0.021 3.891 -1.812) 4.292 11.176 ( -6.127 -5.743 -1.382) 8.510 11.277 ( 0.323 0.032 -0.631) 0.709 11.339 ( 2.254 1.455 0.360) 2.707 11.595 ( 3.604 0.685 0.223) 3.675 11.681 ( -0.236 -2.591 2.603) 3.681 11.778 ( 7.996 -0.540 4.789) 9.336 12.129 ( 0.700 1.080 6.590) 6.714 12.300 ( -1.011 4.460 0.512) 4.601 12.380 ( 2.023 1.432 0.119) 2.481 12.518 ( -1.339 2.157 0.665) 2.625 12.860 ( 2.211 5.882 -7.167) 9.532 12.950 ( -4.950 4.003 -5.495) 8.410 13.311 ( -3.985 -2.521 -1.010) 4.823 13.547 ( 2.330 -1.412 -1.291) 3.015 13.743 ( -0.672 -5.154 6.498) 8.321 13.783 ( -3.818 -6.831 0.895) 7.877 14.409 ( 9.429 11.621 5.325) 15.884 14.494 ( -0.742 1.780 -3.924) 4.372 15.037 ( 0.420 -8.881 4.205) 9.836 15.184 ( -3.894 -6.965 -2.691) 8.421 15.386 ( -2.295 -5.401 -2.295) 6.301 15.577 ( -7.333 -8.050 -0.976) 10.933 15.656 ( 5.332 -3.327 -2.278) 6.685 15.959 ( 5.643 1.809 2.098) 6.286 16.366 ( -2.291 4.335 2.146) 5.352 16.725 ( -10.004 -3.309 -11.657) 15.714 16.904 ( -1.273 -2.121 -1.013) 2.673 17.123 ( 1.242 -6.981 -7.084) 10.023 17.215 ( -2.248 0.053 1.767) 2.860 17.309 ( 3.458 -2.344 4.146) 5.886 19.702 ( 4.276 -5.383 -0.921) 6.937 19.914 ( 3.311 -9.355 -8.849) 13.296 20.582 ( -1.448 13.436 3.352) 13.923 20.844 ( 1.129 11.921 -1.302) 12.045 22.089 ( -4.937 -13.441 5.611) 15.379 22.408 ( 2.271 -13.710 -1.709) 14.001 22.919 ( -3.270 8.830 1.819) 9.590 23.238 ( 1.545 7.558 -2.123) 8.001 27.182 ( 0.739 -17.848 1.774) 17.951 27.588 ( -11.581 -25.907 -16.146) 32.649 28.862 ( -2.267 22.159 0.079) 22.275 29.038 ( 10.246 21.943 2.423) 24.338 30.544 ( -0.549 -7.845 1.402) 7.989 30.678 ( -6.690 -6.470 0.874) 9.348 30.762 ( -4.386 -11.240 -0.983) 12.106 31.076 ( 2.965 -3.696 1.342) 4.925 31.309 ( -3.124 1.211 -4.036) 5.245 31.557 ( -1.378 6.447 1.735) 6.817 31.588 ( 5.332 10.537 0.925) 11.845 32.230 ( 18.541 -1.989 -6.006) 19.591 32.677 ( 15.036 -4.648 -0.853) 15.761 32.763 ( 13.558 -6.595 -4.398) 15.706 33.203 ( -3.171 3.727 0.514) 4.920 33.635 ( 1.632 7.656 -2.803) 8.315 35.234 ( -1.635 -0.857 3.707) 4.141 35.334 ( -0.431 -1.726 1.888) 2.594 35.438 ( -0.744 -1.750 2.853) 3.429 35.555 ( 1.308 0.272 -2.367) 2.718 35.842 ( -4.304 1.588 -2.821) 5.386 36.029 ( -8.135 -1.358 7.176) 10.932 36.847 ( -25.696 -6.003 6.121) 27.088 37.920 ( 12.422 14.938 1.309) 19.472 ======================= Grid point 72 (25/114) ======================= q-point: ( 0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.831 ( 5.493 -13.830 9.635) 17.728 1.893 ( 1.537 -18.185 -4.248) 18.738 2.175 ( 7.348 -2.877 -0.763) 7.928 2.296 ( 5.986 -6.274 -4.069) 9.578 2.486 ( 6.511 -2.388 6.770) 9.691 2.721 ( -3.439 2.352 -0.937) 4.271 2.928 ( 1.103 1.898 -4.620) 5.115 3.050 ( -1.457 5.858 -2.775) 6.643 3.190 ( -0.943 3.805 -0.227) 3.927 3.231 ( -0.482 -9.172 5.476) 10.693 3.467 ( 1.970 1.932 -1.164) 2.995 3.501 ( 5.828 4.340 -0.497) 7.283 3.543 ( 6.487 -0.275 -0.833) 6.546 3.673 ( -1.039 -2.750 -5.629) 6.351 3.873 ( -10.892 5.100 -0.501) 12.038 4.026 ( 2.577 1.468 11.506) 11.882 4.104 ( 6.473 -5.179 7.181) 10.968 4.236 ( -5.135 4.633 -4.255) 8.120 4.456 ( -5.401 2.219 -3.960) 7.055 4.698 ( -4.037 -6.070 1.408) 7.424 4.853 ( 0.714 -2.378 -1.832) 3.085 4.880 ( -2.262 3.544 -5.894) 7.240 5.127 ( -8.328 -0.703 -4.550) 9.516 5.330 ( -1.826 1.426 2.883) 3.698 5.399 ( 2.987 7.370 5.072) 9.432 5.592 ( 4.564 -2.593 -0.331) 5.260 5.771 ( 4.053 -3.194 -2.536) 5.749 5.815 ( 3.892 2.477 2.013) 5.034 5.885 ( -5.760 3.830 1.641) 7.110 5.952 ( -4.332 -0.234 1.274) 4.522 7.674 ( 2.413 -0.221 0.518) 2.478 7.724 ( -5.333 -1.959 -1.922) 5.998 7.800 ( 5.606 2.272 1.912) 6.344 8.005 ( 0.455 -1.822 -1.860) 2.644 8.706 ( 0.093 -1.404 -0.148) 1.414 8.808 ( -0.010 0.535 -2.992) 3.040 8.918 ( 2.248 2.780 1.465) 3.863 8.957 ( 2.837 2.175 -0.774) 3.657 9.264 ( -1.384 5.315 -1.560) 5.709 9.293 ( -3.681 3.733 1.061) 5.349 9.546 ( 1.129 -2.096 3.756) 4.447 9.639 ( 4.963 9.161 -0.282) 10.423 9.959 ( -0.137 -3.646 4.047) 5.449 9.989 ( -4.339 -4.575 1.164) 6.412 10.070 ( 0.585 5.945 -0.399) 5.987 10.429 ( 1.332 2.980 -2.051) 3.855 11.209 ( -3.814 -3.038 -0.249) 4.882 11.313 ( 3.611 0.205 3.281) 4.883 11.350 ( -1.304 -2.938 -0.977) 3.360 11.584 ( 1.288 2.221 -0.328) 2.588 11.704 ( -0.920 0.894 2.422) 2.741 11.890 ( 7.947 -0.621 3.188) 8.584 12.173 ( 1.468 -3.081 -1.391) 3.685 12.222 ( -0.780 2.218 -1.456) 2.765 12.371 ( -0.351 -0.172 0.818) 0.906 12.497 ( -1.090 0.425 3.669) 3.851 12.706 ( 0.571 7.495 -4.859) 8.950 12.807 ( -3.665 5.424 -2.464) 6.994 13.342 ( -2.731 -5.281 -3.148) 6.728 13.604 ( 4.724 -2.458 0.500) 5.348 13.794 ( -3.616 0.675 4.184) 5.571 13.915 ( -6.402 -8.454 0.359) 10.610 14.278 ( 6.708 12.565 2.032) 14.388 14.473 ( 0.708 -3.884 -4.996) 6.368 15.168 ( -1.415 -4.561 3.594) 5.977 15.239 ( -3.711 -4.812 -1.660) 6.299 15.458 ( 0.309 -1.169 1.099) 1.634 15.532 ( 0.852 9.230 0.176) 9.271 15.737 ( -4.240 -12.114 -2.344) 13.047 16.094 ( 6.612 -0.951 3.258) 7.432 16.365 ( 3.673 -4.195 4.845) 7.387 16.582 ( -10.266 2.832 -10.007) 14.613 16.936 ( -0.516 -2.750 -1.180) 3.037 17.186 ( 3.710 1.939 -2.152) 4.707 17.205 ( -4.711 -4.733 -0.712) 6.716 17.377 ( 1.460 -1.049 3.041) 3.533 19.844 ( 3.097 -8.338 -1.197) 8.975 20.081 ( 4.114 -10.832 -7.674) 13.898 20.357 ( -2.887 11.748 3.660) 12.640 20.634 ( 1.571 11.900 -0.867) 12.035 22.330 ( -3.097 -13.754 4.471) 14.790 22.620 ( 0.537 -5.745 -2.205) 6.177 22.766 ( -1.954 3.417 2.316) 4.567 23.085 ( 2.009 10.141 -1.771) 10.489 27.568 ( 1.559 -22.651 3.425) 22.961 27.839 ( -9.460 -21.049 -11.133) 25.622 28.425 ( -3.854 23.679 -1.744) 24.054 28.767 ( 13.127 20.111 3.767) 24.310 30.659 ( -2.360 -6.449 1.430) 7.014 30.755 ( -5.253 -5.666 0.745) 7.762 30.943 ( -2.970 -11.554 0.348) 11.935 31.172 ( 1.029 -3.706 0.414) 3.868 31.234 ( -0.474 2.755 -0.987) 2.964 31.369 ( 2.151 12.166 0.868) 12.385 31.519 ( -2.741 1.512 -5.042) 5.935 32.307 ( 16.171 4.243 -5.489) 17.596 32.817 ( 9.307 -1.016 0.488) 9.375 32.967 ( 3.378 -11.769 -2.440) 12.485 33.116 ( -3.158 3.614 0.686) 4.848 33.472 ( 0.201 9.866 -1.823) 10.035 35.251 ( -2.533 -0.416 3.897) 4.666 35.364 ( -1.441 -1.259 1.345) 2.339 35.469 ( -0.371 -0.484 1.688) 1.795 35.580 ( 2.403 -2.283 -1.552) 3.660 35.799 ( -3.016 -0.577 1.798) 3.559 35.980 ( -11.041 3.176 11.303) 16.117 36.934 ( -9.104 -16.664 -6.783) 20.164 37.707 ( 10.843 19.198 0.907) 22.067 ======================= Grid point 73 (26/114) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.939 ( -13.410 2.653 -10.364) 17.154 2.017 ( -2.441 2.280 3.996) 5.208 2.285 ( 3.464 -3.334 -5.732) 7.481 2.391 ( 0.439 9.407 2.027) 9.633 2.519 ( 7.521 -1.784 3.085) 8.323 2.678 ( -3.658 -9.259 -2.059) 10.167 2.876 ( -3.156 0.675 -3.134) 4.498 3.035 ( -1.698 4.633 -6.254) 7.967 3.074 ( 5.672 2.964 6.507) 9.127 3.289 ( -1.475 -1.701 -0.534) 2.314 3.417 ( 2.800 5.698 -4.101) 7.558 3.463 ( 1.426 1.585 0.006) 2.132 3.631 ( -3.517 7.717 1.860) 8.682 3.653 ( 5.313 2.151 -2.002) 6.071 3.724 ( 6.862 -3.502 -0.866) 7.752 4.102 ( -2.489 2.160 4.258) 5.384 4.159 ( -2.625 1.339 5.263) 6.032 4.286 ( 9.635 -4.529 3.772) 11.294 4.346 ( -5.747 -3.717 -5.355) 8.690 4.658 ( -1.062 4.230 -2.614) 5.085 4.802 ( 0.535 -1.680 -6.671) 6.901 4.913 ( 1.236 0.261 2.197) 2.534 5.132 ( -4.916 -7.530 -4.207) 9.928 5.302 ( -1.332 1.118 2.541) 3.079 5.394 ( 4.214 1.098 6.497) 7.821 5.632 ( 1.197 -0.975 -5.058) 5.288 5.737 ( -9.927 1.752 1.092) 10.139 5.806 ( -0.345 0.758 3.008) 3.121 5.859 ( 2.089 1.334 -1.032) 2.685 6.029 ( 6.433 -4.330 6.283) 9.981 7.669 ( -9.803 -2.177 -5.415) 11.409 7.694 ( 0.332 0.249 1.344) 1.406 7.790 ( 1.080 1.372 -0.232) 1.761 8.090 ( 7.909 -1.750 4.008) 9.038 8.723 ( -3.017 -1.940 -2.724) 4.504 8.819 ( 0.193 -2.298 -1.759) 2.900 8.894 ( 0.291 1.832 3.136) 3.643 8.966 ( 2.067 -1.491 -1.093) 2.773 9.130 ( -1.147 5.236 -1.954) 5.705 9.278 ( -1.467 -1.367 1.082) 2.279 9.517 ( 2.892 4.863 0.268) 5.664 9.659 ( 3.052 -3.741 6.330) 7.961 9.903 ( -2.091 4.970 -5.936) 8.020 9.988 ( -0.069 2.511 1.037) 2.717 10.099 ( -1.787 -4.338 4.050) 6.198 10.371 ( 0.217 1.655 -4.345) 4.654 11.231 ( -2.672 -1.843 1.604) 3.621 11.320 ( 0.157 1.421 1.722) 2.238 11.410 ( -1.182 -3.310 1.509) 3.825 11.543 ( 1.292 2.500 -1.705) 3.290 11.676 ( -0.560 2.519 1.546) 3.008 11.868 ( 0.311 6.877 -2.082) 7.192 12.214 ( 0.741 -0.312 -0.806) 1.139 12.257 ( 5.802 -5.040 -1.241) 7.785 12.386 ( -1.685 -1.160 0.515) 2.109 12.456 ( -1.378 7.691 2.825) 8.308 12.660 ( 2.402 -4.799 -1.789) 5.657 12.725 ( -0.925 -1.564 -0.386) 1.857 13.426 ( -0.367 -6.351 -1.010) 6.442 13.672 ( 4.895 1.279 2.306) 5.561 13.719 ( -2.615 6.449 2.208) 7.301 13.949 ( -8.386 -4.965 -7.945) 12.574 14.114 ( -0.111 8.137 1.050) 8.205 14.576 ( 1.056 -5.562 -0.568) 5.690 15.222 ( -1.312 2.740 3.029) 4.291 15.282 ( -1.970 -5.781 -3.406) 6.993 15.352 ( 0.823 3.274 1.192) 3.580 15.533 ( 6.513 2.612 4.851) 8.531 15.896 ( -4.453 -10.099 -2.308) 11.276 16.070 ( 0.666 6.867 4.855) 8.436 16.316 ( -9.341 7.651 -7.941) 14.451 16.633 ( 10.652 -9.292 2.924) 14.435 16.967 ( 0.638 -1.154 -1.583) 2.060 17.154 ( 2.379 3.045 1.396) 4.108 17.242 ( -3.141 -2.870 -2.449) 4.909 17.410 ( -0.094 -0.640 2.508) 2.590 20.024 ( 2.282 -10.058 -1.772) 10.464 20.092 ( -0.902 10.095 -0.131) 10.136 20.340 ( 0.965 -11.339 -2.139) 11.579 20.450 ( 1.286 9.013 -0.554) 9.121 22.484 ( -1.947 12.483 2.124) 12.811 22.571 ( -1.252 -12.482 3.400) 12.998 22.873 ( 1.373 4.380 -2.438) 5.197 22.915 ( 1.197 -2.915 -0.796) 3.250 27.918 ( -1.300 11.447 1.369) 11.601 28.042 ( -1.568 -7.044 -1.049) 7.292 28.090 ( -3.976 -20.177 -3.450) 20.852 28.595 ( 13.473 11.779 2.204) 18.031 30.760 ( -2.153 -4.991 2.039) 5.806 30.770 ( -3.474 0.957 2.225) 4.235 31.089 ( 0.207 -0.445 -0.949) 1.069 31.154 ( 0.220 0.638 -0.005) 0.675 31.217 ( -0.924 1.613 -0.985) 2.103 31.263 ( 0.430 -0.215 4.322) 4.349 31.421 ( -5.120 -0.373 -11.833) 12.899 32.271 ( 12.707 7.872 -7.314) 16.641 32.853 ( -0.657 2.438 1.051) 2.735 33.056 ( -0.783 0.424 -0.848) 1.230 33.170 ( 3.107 -5.998 -1.490) 6.917 33.302 ( -0.536 4.347 -0.813) 4.455 35.252 ( -3.117 0.210 3.500) 4.691 35.368 ( -2.010 0.110 1.023) 2.258 35.467 ( 0.762 1.184 -0.237) 1.428 35.632 ( 0.785 -2.102 -0.577) 2.317 35.837 ( -3.084 -3.044 6.698) 7.977 35.919 ( -7.952 1.570 11.060) 13.712 37.166 ( -1.978 -18.354 -9.542) 20.781 37.446 ( 8.099 17.916 0.447) 19.667 ======================= Grid point 74 (27/114) ======================= q-point: (-0.38 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -22.287 12.435 -6.502) 26.337 1.699 ( -10.440 22.240 -4.571) 24.990 2.285 ( 1.324 2.411 -0.833) 2.874 2.296 ( -0.037 6.691 6.192) 9.117 2.520 ( 10.625 11.923 0.709) 15.986 2.647 ( -5.768 6.656 -2.350) 9.116 2.778 ( -4.819 10.326 -1.420) 11.483 2.984 ( -2.978 15.621 -11.677) 19.729 3.056 ( -1.022 -8.898 2.476) 9.292 3.240 ( -5.670 2.597 -2.003) 6.551 3.303 ( -1.676 -1.200 2.986) 3.628 3.427 ( 5.881 -1.053 -3.709) 7.033 3.575 ( 5.197 -3.268 -1.852) 6.413 3.686 ( 4.907 -3.210 -1.004) 5.949 3.883 ( 2.781 -1.434 1.983) 3.704 4.053 ( -2.266 -2.155 1.536) 3.484 4.203 ( 3.713 -6.382 4.371) 8.580 4.440 ( 1.032 -5.581 2.100) 6.052 4.512 ( 8.855 -8.238 3.088) 12.482 4.636 ( 3.702 -0.835 1.943) 4.263 4.796 ( 3.449 -1.438 -8.472) 9.260 4.921 ( -0.136 -1.187 1.105) 1.628 5.150 ( -2.312 -0.272 -6.098) 6.527 5.319 ( -2.075 -1.476 2.206) 3.370 5.416 ( 5.957 6.937 7.099) 11.576 5.613 ( -9.462 0.766 1.353) 9.589 5.635 ( -2.136 0.398 -2.752) 3.506 5.796 ( -0.134 1.813 -1.974) 2.683 5.862 ( -0.368 -2.670 1.176) 2.940 6.180 ( 7.134 -2.141 4.517) 8.711 7.595 ( -10.842 -1.728 -4.065) 11.708 7.710 ( 1.204 -0.235 1.099) 1.647 7.786 ( -0.179 -0.685 0.718) 1.008 8.155 ( 4.111 2.591 2.360) 5.402 8.716 ( -2.904 -1.476 -0.641) 3.320 8.844 ( -0.971 -2.774 -3.856) 4.849 8.893 ( -1.325 0.430 2.275) 2.667 9.011 ( -0.130 -2.178 -2.683) 3.458 9.057 ( -2.126 0.397 4.420) 4.920 9.323 ( 2.922 -2.845 -0.919) 4.180 9.502 ( 2.097 -0.163 -0.022) 2.103 9.760 ( 1.352 5.303 -3.809) 6.667 9.836 ( 0.572 -8.177 5.321) 9.773 9.917 ( -0.449 4.542 1.226) 4.726 10.159 ( -3.050 -2.838 -0.070) 4.167 10.375 ( 1.015 -5.118 -2.612) 5.835 11.247 ( -3.243 -1.361 1.411) 3.789 11.304 ( 0.235 1.543 2.049) 2.576 11.441 ( -3.258 -0.809 2.919) 4.449 11.514 ( 3.897 1.711 -1.962) 4.686 11.618 ( -1.569 3.853 -1.677) 4.485 11.721 ( -1.788 5.340 -1.387) 5.800 12.166 ( 0.820 8.572 0.472) 8.624 12.328 ( -4.000 1.203 -0.655) 4.228 12.353 ( -1.889 -1.998 0.807) 2.865 12.439 ( 7.940 -3.459 0.466) 8.674 12.787 ( 0.816 -8.439 -1.977) 8.706 12.857 ( 3.534 -9.293 0.149) 9.944 13.496 ( -1.794 0.991 3.884) 4.391 13.565 ( 0.470 6.838 -3.351) 7.630 13.691 ( 4.401 1.361 4.041) 6.128 13.910 ( 1.575 2.468 -3.695) 4.714 14.018 ( -11.583 -2.459 -4.558) 12.688 14.599 ( -2.241 1.409 -0.448) 2.685 15.099 ( -3.043 7.381 -1.131) 8.063 15.369 ( 9.820 -1.629 2.403) 10.240 15.447 ( 2.197 -5.818 -0.540) 6.242 15.542 ( 2.305 1.596 4.213) 5.061 15.866 ( -4.195 9.514 1.908) 10.571 15.961 ( -10.108 6.046 -2.186) 11.979 16.183 ( 1.244 -5.461 -2.161) 6.003 16.875 ( 12.680 -5.409 2.389) 13.991 16.965 ( 2.143 1.363 -1.083) 2.761 17.135 ( 2.618 2.079 0.606) 3.398 17.222 ( -4.309 0.490 -2.420) 4.966 17.425 ( 0.301 0.335 0.380) 0.589 19.894 ( -3.337 9.448 0.290) 10.025 20.137 ( 4.793 2.365 -6.427) 8.359 20.373 ( -1.900 -5.311 3.125) 6.449 20.586 ( 1.816 -14.311 -2.217) 14.595 22.238 ( -1.985 14.911 3.760) 15.506 22.637 ( 1.526 13.358 -3.304) 13.845 22.809 ( 0.143 -10.095 4.569) 11.081 23.089 ( 1.540 -9.965 -1.689) 10.223 27.515 ( -2.138 21.819 -0.236) 21.924 28.194 ( 14.528 3.302 2.204) 15.061 28.480 ( -1.528 -21.828 0.828) 21.898 28.637 ( 2.364 -11.481 -3.437) 12.215 30.678 ( -2.248 6.938 -0.641) 7.321 30.812 ( -2.654 1.436 4.330) 5.278 30.954 ( 1.647 9.386 1.858) 9.708 31.050 ( -7.500 7.544 -7.644) 13.099 31.296 ( 0.783 -4.643 0.877) 4.790 31.347 ( -0.588 -9.853 0.404) 9.878 31.382 ( -0.519 -3.226 -6.246) 7.050 32.150 ( 9.248 9.225 -11.152) 17.176 32.729 ( -4.998 7.955 -1.314) 9.486 32.985 ( -1.280 9.405 -1.609) 9.627 33.164 ( -0.417 -2.556 1.856) 3.186 33.433 ( 4.083 -10.054 -2.660) 11.173 35.238 ( -3.032 0.777 2.912) 4.275 35.345 ( -1.646 1.486 0.969) 2.420 35.443 ( 0.996 1.961 -0.261) 2.215 35.638 ( -1.898 0.180 -1.229) 2.268 35.905 ( 0.124 -2.561 3.970) 4.726 35.962 ( -8.412 -4.060 15.874) 18.418 37.201 ( 5.078 13.142 5.337) 15.066 37.457 ( 1.121 -17.834 -10.391) 20.671 ======================= Grid point 75 (28/114) ======================= q-point: (-0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -18.726 19.884 -4.543) 27.688 1.201 ( -13.979 22.792 11.209) 28.992 1.929 ( 1.928 43.832 9.210) 44.831 2.172 ( -12.502 3.349 0.910) 12.975 2.375 ( -3.030 10.821 -6.524) 12.993 2.460 ( 12.085 9.198 2.703) 15.426 2.591 ( -4.527 1.280 -4.107) 6.245 2.713 ( -3.518 -0.953 -2.228) 4.272 3.151 ( -2.773 2.127 1.048) 3.649 3.275 ( 0.188 -10.653 -0.491) 10.666 3.345 ( -0.218 -1.735 -0.440) 1.803 3.541 ( 7.517 -3.331 0.235) 8.226 3.627 ( 2.886 -1.484 -3.513) 4.783 3.794 ( 0.407 -2.144 -1.997) 2.958 3.904 ( 3.636 -4.620 -1.602) 6.094 4.138 ( -0.911 -5.422 0.085) 5.499 4.347 ( 2.073 -1.911 4.394) 5.221 4.546 ( 1.807 -1.692 -3.050) 3.928 4.642 ( 5.990 -1.962 -5.219) 8.183 4.736 ( 2.669 -7.568 -2.731) 8.476 4.890 ( 6.343 -2.790 6.849) 9.743 4.996 ( 2.943 -5.940 4.036) 7.761 5.049 ( -0.398 5.698 -5.401) 7.861 5.299 ( -2.876 5.090 1.420) 6.016 5.330 ( 0.829 4.888 4.486) 6.686 5.520 ( -9.036 -0.311 1.673) 9.195 5.655 ( 3.436 -0.981 0.387) 3.594 5.760 ( 1.251 0.907 -2.501) 2.940 5.932 ( -1.436 -4.970 0.024) 5.173 6.239 ( 3.478 1.942 1.613) 4.298 7.523 ( -9.323 -0.603 -1.388) 9.445 7.725 ( 0.508 -0.562 0.120) 0.767 7.830 ( -0.373 -3.426 3.516) 4.923 8.097 ( -2.710 4.390 -1.057) 5.266 8.721 ( -0.555 -0.436 2.077) 2.194 8.847 ( -0.386 2.238 1.854) 2.932 8.893 ( -1.275 -3.340 -3.893) 5.285 9.018 ( -4.217 -3.243 -1.632) 5.564 9.116 ( -0.161 -2.345 5.843) 6.298 9.399 ( 6.753 -1.475 0.253) 6.917 9.527 ( 3.120 -1.007 -1.545) 3.625 9.629 ( -1.172 6.904 -3.232) 7.712 9.853 ( -4.386 -1.795 0.560) 4.772 10.076 ( -1.359 -10.782 7.492) 13.200 10.170 ( -2.853 -2.646 -3.073) 4.958 10.526 ( 3.978 -9.798 -1.055) 10.627 11.249 ( -1.631 -0.621 0.019) 1.745 11.292 ( 1.193 1.881 2.067) 3.038 11.451 ( -3.076 -1.495 4.796) 5.891 11.492 ( 2.539 4.222 -3.798) 6.221 11.519 ( -0.703 2.969 1.158) 3.263 11.660 ( -1.978 1.488 1.388) 2.838 11.997 ( -2.461 7.167 1.310) 7.690 12.325 ( -0.906 -1.925 -1.322) 2.505 12.368 ( -1.885 -1.014 2.717) 3.459 12.539 ( 3.429 -2.202 -3.068) 5.101 12.928 ( 1.407 -7.811 -4.413) 9.081 13.034 ( 4.235 -6.815 -1.159) 8.107 13.394 ( -1.455 6.191 2.525) 6.843 13.511 ( -1.891 0.387 0.917) 2.137 13.727 ( 6.568 4.476 4.378) 9.074 13.849 ( 0.107 3.198 -3.965) 5.095 13.975 ( -7.518 -5.798 -3.125) 9.995 14.555 ( -1.077 0.749 0.184) 1.325 14.947 ( -1.974 7.616 1.154) 7.952 15.341 ( 4.936 13.686 3.049) 14.865 15.444 ( 2.031 7.072 -3.767) 8.266 15.627 ( -0.790 -8.648 -7.673) 11.588 15.649 ( -1.763 11.648 2.338) 12.011 15.894 ( -3.950 -7.015 6.122) 10.114 16.334 ( 2.526 -7.829 -0.083) 8.227 16.948 ( 4.016 1.732 -0.940) 4.474 17.020 ( 10.319 1.096 -0.313) 10.382 17.125 ( 3.618 1.697 -2.079) 4.504 17.139 ( -2.742 3.696 -1.093) 4.731 17.373 ( 3.068 6.143 -8.030) 10.566 19.724 ( -3.566 6.558 -0.967) 7.527 20.007 ( 3.735 8.140 -7.301) 11.554 20.566 ( -2.272 -13.451 2.615) 13.890 20.838 ( 1.276 -13.598 -1.404) 13.729 21.995 ( -1.712 13.740 8.034) 16.008 22.380 ( 1.508 14.297 -2.828) 14.651 23.001 ( 0.092 -8.229 3.236) 8.842 23.253 ( 2.145 -7.949 -1.967) 8.464 27.160 ( -0.755 16.863 0.145) 16.880 28.187 ( 34.336 18.474 -5.085) 39.321 28.798 ( -8.307 -21.517 -7.242) 24.175 28.942 ( -3.660 -21.737 -0.231) 22.044 30.444 ( -9.613 12.855 -8.038) 17.952 30.712 ( -0.950 8.354 2.479) 8.765 30.827 ( 0.913 8.199 -2.268) 8.555 30.830 ( -3.623 8.405 4.159) 10.053 31.335 ( 3.335 0.967 -4.172) 5.428 31.462 ( -0.082 -8.344 1.965) 8.573 31.560 ( -1.147 -13.135 0.366) 13.190 31.957 ( 10.104 12.474 -17.336) 23.627 32.513 ( -5.173 10.574 -2.073) 11.953 32.758 ( -2.846 12.626 -1.442) 13.023 33.242 ( -0.129 -4.254 1.073) 4.389 33.607 ( 4.218 -7.604 -2.864) 9.155 35.215 ( -2.290 1.138 2.446) 3.539 35.308 ( -0.976 1.919 1.056) 2.398 35.415 ( 0.289 1.676 0.430) 1.755 35.610 ( -1.382 -0.352 -2.176) 2.602 35.974 ( 1.219 -2.071 2.290) 3.320 36.043 ( -8.164 -1.819 11.778) 14.446 37.156 ( -6.779 -4.182 20.150) 21.667 37.719 ( 4.705 -14.694 -7.422) 17.122 ======================= Grid point 76 (29/114) ======================= q-point: (-0.12 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -3.707 22.224 14.834) 26.976 0.815 ( -15.219 18.998 21.434) 32.434 1.219 ( -1.168 39.669 29.651) 49.540 2.001 ( -12.068 4.089 5.076) 13.716 2.258 ( 8.105 1.559 -2.882) 8.742 2.385 ( 9.807 10.647 7.165) 16.152 2.597 ( -3.466 -3.540 0.137) 4.956 2.821 ( -1.215 -13.496 -5.960) 14.803 3.123 ( -0.251 1.286 4.853) 5.027 3.341 ( 0.254 0.184 -3.833) 3.846 3.418 ( 1.505 -2.235 -3.619) 4.512 3.592 ( 4.174 2.032 -4.707) 6.611 3.640 ( 0.531 -1.300 -3.676) 3.935 3.752 ( -1.911 2.295 -0.966) 3.139 4.033 ( 2.925 -5.552 -5.768) 8.524 4.195 ( -1.263 -2.450 -1.523) 3.149 4.376 ( -3.986 -0.762 4.774) 6.266 4.499 ( 1.217 1.852 -6.058) 6.451 4.643 ( 1.283 4.699 -6.345) 7.999 4.747 ( 5.618 1.601 -11.243) 12.670 4.883 ( 2.782 5.882 1.988) 6.803 5.108 ( -10.737 -5.081 0.470) 11.887 5.161 ( -7.808 1.463 -3.152) 8.546 5.202 ( 10.254 -6.923 14.660) 19.183 5.343 ( -0.244 -5.446 0.714) 5.498 5.547 ( 1.050 -5.016 4.303) 6.692 5.722 ( 7.969 0.881 5.484) 9.713 5.762 ( -0.228 -1.910 2.111) 2.856 6.007 ( -0.743 -4.282 0.224) 4.352 6.197 ( -0.361 3.920 -0.078) 3.937 7.470 ( -4.023 0.672 1.091) 4.222 7.755 ( -1.556 -3.466 -0.635) 3.852 7.928 ( 0.901 -0.688 3.034) 3.238 7.964 ( -15.688 -2.502 -3.493) 16.266 8.784 ( 2.086 -2.568 5.848) 6.719 8.811 ( 2.196 1.126 5.351) 5.893 8.927 ( -0.083 -2.174 -1.820) 2.836 9.033 ( -0.202 -1.339 -1.913) 2.344 9.191 ( -0.728 -2.396 7.965) 8.350 9.453 ( 4.940 3.363 -0.789) 6.028 9.510 ( 3.720 2.861 -0.562) 4.726 9.594 ( 3.803 -4.773 3.462) 7.016 9.869 ( -9.364 -4.145 -0.618) 10.259 10.163 ( -5.563 -3.605 -5.070) 8.346 10.260 ( -1.269 -5.791 4.300) 7.323 10.720 ( 1.382 -10.095 -3.945) 10.927 11.190 ( 1.331 9.101 -3.233) 9.749 11.306 ( -0.792 -3.156 2.752) 4.262 11.413 ( -1.545 -0.432 -2.711) 3.150 11.485 ( 1.450 3.069 4.460) 5.605 11.538 ( -2.014 -5.080 5.048) 7.439 11.642 ( 0.066 -1.188 7.859) 7.948 11.956 ( 2.236 -0.859 5.942) 6.406 12.347 ( 0.478 -1.185 -0.754) 1.483 12.396 ( -2.374 -1.971 3.834) 4.922 12.536 ( -2.833 -0.664 -4.946) 5.738 13.006 ( 3.415 -2.797 -8.937) 9.968 13.111 ( 0.772 -1.173 -3.534) 3.802 13.351 ( -1.316 0.068 5.215) 5.379 13.509 ( -0.668 -0.628 -1.070) 1.409 13.669 ( -0.501 5.528 1.817) 5.840 13.754 ( -1.408 2.797 -4.741) 5.682 14.134 ( 11.221 -8.867 10.538) 17.765 14.580 ( 0.343 -3.898 0.252) 3.921 14.798 ( -1.547 9.470 3.051) 10.069 15.085 ( -0.642 13.828 -0.744) 13.863 15.339 ( 4.770 5.895 0.379) 7.593 15.457 ( -5.758 5.883 -0.875) 8.278 15.653 ( 9.567 8.443 -17.271) 21.473 16.047 ( -1.084 -4.066 2.609) 4.951 16.457 ( 1.157 -4.126 -0.622) 4.330 16.839 ( 16.494 33.343 -28.685) 46.975 16.959 ( 0.380 1.202 -2.334) 2.653 17.009 ( 5.169 2.895 -3.840) 7.060 17.103 ( 4.685 5.233 0.059) 7.024 17.224 ( -4.448 2.076 4.363) 6.567 19.600 ( -1.547 4.326 -2.192) 5.090 19.890 ( -0.421 1.747 -4.482) 4.829 20.800 ( -1.794 -12.542 1.814) 12.799 21.047 ( -0.365 -9.635 -0.902) 9.684 21.871 ( -0.946 4.002 12.205) 12.880 22.148 ( 2.238 11.056 -2.165) 11.486 23.117 ( -2.529 -4.479 0.992) 5.238 23.361 ( 1.824 -3.562 -3.113) 5.071 26.924 ( 0.005 9.384 0.187) 9.386 27.732 ( 16.544 50.676 -47.727) 71.552 29.080 ( -1.945 -19.138 0.013) 19.237 29.298 ( 0.391 -17.462 3.092) 17.738 30.149 ( 17.021 11.659 10.816) 23.295 30.566 ( 2.613 12.431 9.153) 15.657 30.692 ( -0.772 6.246 1.099) 6.389 30.712 ( 1.633 4.678 -1.172) 5.092 31.309 ( 4.668 2.398 -2.415) 5.777 31.619 ( 3.149 12.304 -15.256) 19.850 31.654 ( 10.401 0.341 2.009) 10.598 31.786 ( -1.940 -11.046 -1.212) 11.281 32.281 ( -2.998 10.565 1.024) 11.030 32.509 ( -1.226 12.088 -0.009) 12.150 33.305 ( -0.676 -2.491 0.232) 2.591 33.725 ( 3.729 -4.124 -2.890) 6.267 35.194 ( -1.325 1.022 2.394) 2.921 35.281 ( -0.397 1.123 1.226) 1.709 35.394 ( -0.595 0.866 0.562) 1.192 35.632 ( -0.418 -4.810 -1.498) 5.055 35.955 ( 1.270 8.427 0.167) 8.524 36.041 ( -4.346 -1.786 -0.355) 4.712 37.559 ( -24.498 -36.742 26.483) 51.492 37.973 ( -2.007 -16.145 0.656) 16.282 ======================= Grid point 78 (30/114) ======================= q-point: ( 0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.115 ( 11.768 -0.000 23.987) 26.718 1.148 ( 17.504 -0.000 28.273) 33.252 1.917 ( 24.907 -0.000 34.252) 42.351 2.136 ( 20.238 -0.000 -4.513) 20.735 2.363 ( -8.855 0.000 4.598) 9.978 2.637 ( 2.560 -0.000 5.196) 5.793 2.659 ( 5.266 -0.000 9.300) 10.687 2.899 ( -2.698 0.000 -3.515) 4.431 2.992 ( 2.531 -0.000 -21.674) 21.821 3.237 ( 1.912 -0.000 -10.434) 10.608 3.345 ( 6.755 -0.000 1.017) 6.831 3.406 ( -5.854 0.000 -7.284) 9.344 3.697 ( -0.482 0.000 5.647) 5.668 3.729 ( -2.952 0.000 1.086) 3.145 3.872 ( -5.812 0.000 -7.002) 9.100 4.155 ( 0.718 -0.000 0.804) 1.078 4.264 ( -12.074 0.000 2.675) 12.366 4.390 ( -1.813 0.000 -5.799) 6.076 4.576 ( -3.514 0.000 4.616) 5.801 4.688 ( 2.408 -0.000 -3.642) 4.366 4.722 ( -6.072 0.000 -7.150) 9.381 4.988 ( -6.205 0.000 9.072) 10.991 5.207 ( -2.769 0.000 -7.699) 8.182 5.239 ( 2.812 -0.000 10.460) 10.831 5.438 ( -1.592 0.000 6.677) 6.865 5.726 ( -5.098 0.000 -3.465) 6.164 5.809 ( -6.043 0.000 4.506) 7.538 5.861 ( -3.435 0.000 -1.507) 3.751 5.936 ( 5.144 -0.000 3.235) 6.077 6.182 ( 2.231 -0.000 -1.124) 2.498 7.618 ( 5.971 -0.000 2.220) 6.371 7.641 ( -0.916 0.000 -1.297) 1.588 7.812 ( 5.408 -0.000 3.213) 6.291 7.995 ( 1.605 -0.000 -2.272) 2.781 8.832 ( -2.333 0.000 3.169) 3.936 8.987 ( -2.504 0.000 -0.449) 2.544 9.003 ( 5.621 -0.000 0.743) 5.670 9.103 ( 9.403 -0.000 0.757) 9.433 9.319 ( -0.145 0.000 4.208) 4.210 9.342 ( -8.228 0.000 -0.214) 8.231 9.637 ( 3.319 -0.000 9.139) 9.723 9.711 ( -5.934 0.000 -8.297) 10.201 9.824 ( 5.998 -0.000 1.555) 6.197 9.984 ( -2.589 0.000 -8.817) 9.190 10.310 ( -0.241 0.000 0.361) 0.434 10.615 ( -1.152 0.000 -5.195) 5.321 11.023 ( -5.303 0.000 2.015) 5.673 11.275 ( -3.864 0.000 -5.795) 6.965 11.509 ( 4.906 -0.000 2.354) 5.442 11.518 ( 2.469 -0.000 0.256) 2.482 11.611 ( 4.428 -0.000 6.713) 8.042 11.830 ( 4.085 -0.000 -4.752) 6.266 12.332 ( -0.517 0.000 7.814) 7.831 12.362 ( 1.458 -0.000 0.090) 1.461 12.447 ( -1.015 0.000 7.615) 7.682 12.570 ( 4.455 -0.000 1.487) 4.696 12.964 ( -3.731 0.000 -7.958) 8.789 12.994 ( 7.594 -0.000 -11.932) 14.144 13.377 ( -4.093 0.000 -2.882) 5.006 13.412 ( -2.589 0.000 -0.481) 2.633 13.571 ( -4.319 0.000 4.665) 6.357 13.741 ( -0.595 0.000 2.060) 2.144 14.637 ( -0.923 0.000 -3.851) 3.960 14.638 ( 1.711 -0.000 -0.552) 1.798 14.795 ( -3.975 0.000 2.607) 4.754 14.954 ( 0.490 -0.000 -2.991) 3.031 15.186 ( 2.563 -0.000 3.295) 4.175 15.315 ( -0.986 0.000 0.009) 0.986 15.578 ( -11.208 0.000 -10.639) 15.453 15.880 ( 21.054 -0.000 -5.496) 21.759 16.514 ( -1.538 0.000 3.406) 3.737 16.553 ( -3.271 0.000 3.121) 4.521 16.886 ( -1.556 0.000 -1.051) 1.878 16.976 ( 0.178 -0.000 -2.745) 2.751 17.144 ( -7.319 0.000 2.429) 7.711 17.250 ( 5.997 -0.000 5.060) 7.847 19.617 ( 7.507 -0.000 0.764) 7.545 19.754 ( 0.644 -0.000 -7.649) 7.676 20.957 ( 0.701 -0.000 1.557) 1.707 21.064 ( -1.974 0.000 -0.305) 1.998 21.774 ( -7.912 0.000 3.720) 8.742 22.073 ( 2.905 -0.000 -0.938) 3.052 23.157 ( -0.182 0.000 1.099) 1.114 23.371 ( 1.255 -0.000 -1.716) 2.126 26.838 ( -0.241 0.000 0.074) 0.252 26.847 ( -0.166 0.000 -0.081) 0.184 29.442 ( 5.267 -0.000 3.500) 6.324 29.480 ( -0.195 0.000 0.378) 0.425 30.177 ( -10.801 0.000 0.691) 10.823 30.578 ( -2.637 0.000 -3.266) 4.197 30.589 ( -4.532 0.000 -1.638) 4.819 31.124 ( -0.356 0.000 -7.984) 7.992 31.210 ( -5.050 0.000 -1.335) 5.223 31.800 ( 0.015 -0.000 1.302) 1.302 31.872 ( 4.576 -0.000 3.161) 5.562 32.024 ( 10.826 -0.000 -1.761) 10.968 32.414 ( 1.088 -0.000 1.228) 1.641 32.908 ( 82.770 -0.000 -37.509) 90.872 33.277 ( -3.358 0.000 -0.075) 3.359 33.784 ( 3.686 -0.000 -4.334) 5.690 35.209 ( -0.988 0.000 2.768) 2.939 35.303 ( 0.162 -0.000 2.505) 2.510 35.401 ( 0.144 -0.000 2.658) 2.662 35.717 ( -1.893 0.000 -3.905) 4.340 35.736 ( -1.057 0.000 -1.207) 1.605 35.887 ( -4.304 0.000 -5.561) 7.032 36.916 ( -70.193 0.000 30.422) 76.502 38.190 ( 15.171 -0.000 4.543) 15.836 ======================= Grid point 79 (31/114) ======================= q-point: ( 0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( 9.717 -6.698 20.713) 23.839 1.430 ( 16.395 -1.940 16.759) 23.524 2.175 ( 11.809 3.122 -3.976) 12.846 2.379 ( 2.104 0.650 6.985) 7.324 2.406 ( 14.874 -4.005 14.545) 21.186 2.514 ( 6.405 -0.612 -11.194) 12.912 2.692 ( 4.684 -5.492 7.986) 10.765 2.972 ( 5.107 -6.488 3.815) 9.096 3.133 ( -3.465 -11.569 -9.533) 15.386 3.196 ( -0.057 -0.072 -8.000) 8.000 3.348 ( -3.252 -2.897 -4.052) 5.948 3.420 ( 5.493 -5.322 -8.278) 11.270 3.627 ( -3.483 4.661 -2.452) 6.314 3.683 ( -3.714 3.230 -0.505) 4.948 3.889 ( -1.009 -3.926 6.204) 7.411 4.133 ( -10.881 5.319 4.318) 12.858 4.159 ( 1.054 2.581 5.531) 6.194 4.350 ( -3.319 -0.435 -5.809) 6.704 4.492 ( -13.996 1.618 -2.380) 14.289 4.616 ( -0.124 3.839 0.881) 3.940 4.750 ( 1.653 -2.807 -0.200) 3.264 4.960 ( -5.632 2.049 -5.102) 7.871 5.122 ( -0.479 1.171 3.380) 3.609 5.385 ( 2.709 -4.913 5.812) 8.078 5.448 ( -0.510 2.500 7.013) 7.463 5.632 ( -8.565 -0.763 -6.452) 10.750 5.756 ( -0.561 3.236 1.770) 3.731 5.861 ( -2.669 -1.651 2.401) 3.952 5.986 ( 4.551 2.530 2.750) 5.889 6.121 ( 1.226 6.980 -3.384) 7.853 7.650 ( 1.833 -0.676 0.334) 1.982 7.676 ( 1.803 -1.858 1.304) 2.899 7.881 ( 9.407 1.889 4.198) 10.473 7.980 ( 0.550 0.505 -4.097) 4.165 8.781 ( -2.470 4.322 2.108) 5.406 8.911 ( -2.931 4.296 -2.794) 5.904 9.016 ( 4.071 2.881 0.939) 5.075 9.135 ( 7.845 4.541 0.359) 9.071 9.321 ( -5.931 -2.769 -0.184) 6.548 9.345 ( -5.742 -2.367 1.776) 6.459 9.604 ( 0.959 3.895 -5.410) 6.734 9.750 ( 1.268 -4.156 9.760) 10.684 9.860 ( 1.360 -0.191 1.614) 2.120 9.931 ( 3.431 2.178 -5.213) 6.609 10.276 ( 0.607 4.021 0.522) 4.100 10.556 ( 1.587 3.799 -1.292) 4.315 11.035 ( -5.327 -4.307 1.773) 7.076 11.222 ( -2.704 -1.079 -5.110) 5.881 11.468 ( 5.738 5.262 3.197) 8.416 11.618 ( 4.157 -2.882 -0.022) 5.059 11.683 ( 2.642 0.420 5.765) 6.355 11.824 ( 3.919 -0.660 -2.574) 4.734 12.250 ( -0.857 6.598 4.251) 7.896 12.402 ( 1.384 1.032 1.280) 2.149 12.429 ( 1.024 5.542 5.647) 7.978 12.564 ( -0.560 2.642 1.048) 2.897 12.876 ( -2.849 1.478 -8.507) 9.093 12.940 ( 2.201 3.709 -10.260) 11.129 13.272 ( -3.679 1.576 -0.388) 4.021 13.495 ( -0.731 -5.906 0.285) 5.958 13.641 ( -2.310 -7.441 5.236) 9.388 13.718 ( -2.571 1.652 0.398) 3.082 14.505 ( -5.332 7.036 -5.017) 10.154 14.668 ( 6.902 2.198 -0.246) 7.248 14.888 ( 0.016 -9.935 6.083) 11.649 15.009 ( -3.788 -8.506 -2.801) 9.723 15.218 ( -3.066 -5.642 -1.332) 6.558 15.358 ( -13.773 -5.680 -5.651) 15.934 15.593 ( 10.436 -8.190 -2.108) 13.432 16.016 ( 8.588 -1.334 -2.853) 9.148 16.433 ( -4.060 5.365 2.456) 7.162 16.551 ( -6.907 -0.970 -2.466) 7.398 16.879 ( 0.200 -0.709 -0.663) 0.991 17.002 ( 0.041 -4.010 -2.779) 4.879 17.149 ( -5.460 -4.288 1.102) 7.029 17.332 ( 4.443 -1.132 4.517) 6.436 19.694 ( 8.026 -1.083 0.837) 8.142 19.763 ( 2.451 -4.844 -7.279) 9.081 20.823 ( -0.553 12.368 2.557) 12.641 21.015 ( 0.494 6.585 -1.336) 6.738 21.845 ( -6.308 -10.956 3.824) 13.208 22.195 ( 2.523 -10.636 -1.105) 10.987 23.076 ( -0.852 8.307 2.323) 8.667 23.340 ( 1.614 3.804 -1.679) 4.461 26.934 ( -0.004 -10.841 0.835) 10.874 27.040 ( -3.551 -19.633 -4.962) 20.559 29.218 ( -2.510 20.192 -1.248) 20.386 29.431 ( 7.438 11.720 2.931) 14.187 30.293 ( -8.241 -16.697 1.671) 18.695 30.543 ( -5.464 -1.838 -2.242) 6.185 30.585 ( -3.490 -4.281 -2.964) 6.269 31.064 ( 1.541 0.016 -2.591) 3.014 31.216 ( -4.396 -3.705 -3.611) 6.789 31.698 ( -1.089 8.465 2.007) 8.768 31.819 ( 3.426 9.880 1.084) 10.513 32.185 ( 5.566 -8.718 0.025) 10.343 32.530 ( 1.481 -9.886 0.482) 10.008 33.124 ( 54.449 12.205 -27.843) 62.361 33.233 ( -2.208 2.080 -0.113) 3.035 33.742 ( 3.485 4.819 -4.781) 7.630 35.224 ( -1.521 -0.909 2.704) 3.233 35.322 ( -0.371 -0.481 2.603) 2.673 35.428 ( -0.264 -0.916 3.684) 3.805 35.582 ( -0.402 3.677 -1.165) 3.878 35.809 ( -3.986 -0.065 -3.188) 5.105 35.903 ( -1.519 -9.211 -3.048) 9.820 36.607 ( -45.704 -0.402 23.333) 51.317 38.249 ( 13.315 9.074 4.414) 16.707 ======================= Grid point 80 (32/114) ======================= q-point: ( 0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.633 ( 5.443 -8.533 4.518) 11.084 1.728 ( 8.461 -10.376 11.399) 17.583 2.181 ( 2.946 0.046 -5.647) 6.369 2.274 ( 8.420 1.507 -3.225) 9.142 2.595 ( 9.689 0.019 2.859) 10.102 2.694 ( 9.273 -4.270 2.978) 10.634 2.986 ( 0.201 4.605 -6.443) 7.922 3.016 ( -2.047 -14.521 2.108) 14.815 3.075 ( -0.226 1.017 -2.893) 3.075 3.268 ( -2.605 1.406 5.707) 6.430 3.423 ( -2.274 -10.317 -5.142) 11.749 3.464 ( 1.431 -1.226 -11.441) 11.595 3.584 ( 8.409 -1.635 0.059) 8.567 3.624 ( 0.490 0.058 -0.210) 0.536 3.904 ( -8.956 3.895 3.336) 10.321 4.073 ( -2.565 -3.274 8.709) 9.652 4.166 ( 3.053 2.308 5.341) 6.571 4.285 ( -1.536 4.373 3.937) 6.081 4.348 ( -13.573 -1.095 -7.812) 15.698 4.594 ( -0.048 -2.078 1.730) 2.704 4.807 ( -0.110 -1.646 1.172) 2.024 4.867 ( -0.215 0.829 -6.348) 6.406 5.085 ( -6.037 2.241 -1.251) 6.560 5.388 ( -2.128 5.232 3.027) 6.408 5.492 ( 0.800 -2.047 3.963) 4.532 5.617 ( -2.663 -0.953 -1.725) 3.313 5.732 ( 5.338 -0.943 -0.185) 5.424 5.878 ( -1.552 0.694 2.485) 3.011 5.942 ( 0.972 5.540 -3.333) 6.538 5.963 ( -1.895 5.835 2.830) 6.757 7.644 ( -1.419 0.575 -2.398) 2.845 7.732 ( 1.718 0.527 3.560) 3.988 7.880 ( 0.526 3.650 -4.062) 5.486 7.997 ( 7.936 -1.738 2.800) 8.593 8.719 ( -0.380 2.280 1.566) 2.793 8.800 ( -2.626 2.365 -4.043) 5.370 8.992 ( 3.086 2.999 1.046) 4.429 9.083 ( 4.834 6.634 0.585) 8.229 9.283 ( -8.391 0.127 -4.808) 9.671 9.315 ( -3.420 1.983 2.947) 4.931 9.583 ( 6.187 1.251 2.291) 6.716 9.801 ( -4.193 1.979 -6.528) 8.007 9.884 ( 4.641 -0.525 4.534) 6.509 9.930 ( -0.319 -0.675 4.842) 4.899 10.195 ( 1.557 6.244 1.307) 6.566 10.508 ( 3.359 3.906 0.305) 5.161 11.099 ( -3.497 -5.297 0.439) 6.363 11.237 ( -1.696 -4.845 -1.925) 5.482 11.444 ( 5.768 5.031 4.015) 8.643 11.671 ( 5.185 1.639 0.171) 5.441 11.691 ( -0.855 0.152 2.183) 2.349 11.908 ( 4.547 -4.491 -0.022) 6.391 12.179 ( 0.849 2.625 1.293) 3.047 12.296 ( -2.319 7.227 -1.328) 7.705 12.405 ( 1.198 2.336 2.289) 3.483 12.531 ( 1.073 2.360 3.769) 4.574 12.785 ( -1.074 4.949 -8.490) 9.885 12.807 ( -5.414 1.080 -4.304) 7.000 13.257 ( -0.962 -1.510 -1.490) 2.329 13.593 ( 0.365 -4.681 2.980) 5.561 13.663 ( -5.231 -1.794 -2.903) 6.246 13.831 ( -0.064 -7.082 6.493) 9.608 14.337 ( -5.940 1.008 -7.965) 9.987 14.612 ( 7.981 11.128 1.326) 13.758 15.087 ( -1.260 -8.926 4.337) 10.004 15.112 ( -2.195 -3.752 -0.918) 4.443 15.338 ( -3.208 -11.036 -0.980) 11.535 15.390 ( -10.361 -12.299 -3.931) 16.555 15.750 ( 10.178 2.029 -0.391) 10.386 16.104 ( 7.883 -4.496 2.241) 9.348 16.344 ( -3.638 0.626 2.466) 4.440 16.462 ( -10.706 0.447 -6.839) 12.711 16.904 ( 1.442 -1.462 -0.668) 2.159 17.070 ( -1.178 -5.404 -2.015) 5.887 17.191 ( -1.821 -2.802 -0.041) 3.342 17.391 ( 1.770 -0.328 3.087) 3.574 19.780 ( 6.082 -2.520 0.052) 6.583 19.879 ( 3.434 -9.697 -6.088) 11.954 20.596 ( -1.441 13.952 2.920) 14.327 20.844 ( 1.097 11.350 -1.625) 11.518 22.063 ( -4.553 -15.179 3.310) 16.189 22.421 ( 1.930 -12.922 -1.572) 13.160 22.915 ( -1.786 10.003 3.156) 10.640 23.246 ( 2.029 7.342 -1.423) 7.749 27.219 ( 0.564 -19.470 2.717) 19.667 27.342 ( -5.206 -21.592 -6.822) 23.235 28.799 ( -3.025 22.853 -2.298) 23.167 29.233 ( 10.221 18.902 2.688) 21.656 30.533 ( -3.094 -8.729 2.507) 9.595 30.566 ( -7.244 -9.947 -0.853) 12.335 30.661 ( -4.527 -11.406 -4.061) 12.926 31.117 ( 1.670 -4.045 0.163) 4.379 31.221 ( -2.372 -1.955 -2.682) 4.080 31.540 ( -1.712 8.859 0.290) 9.027 31.644 ( 2.121 12.085 -0.218) 12.272 32.359 ( 5.548 -6.047 -1.570) 8.355 32.748 ( 2.454 -12.530 -0.219) 12.769 33.069 ( 22.248 12.571 -9.730) 27.343 33.175 ( 5.073 5.188 -3.298) 7.971 33.621 ( 1.595 8.135 -3.953) 9.184 35.242 ( -2.343 -0.818 2.954) 3.858 35.341 ( -1.173 -0.919 1.526) 2.132 35.464 ( -1.241 -1.124 4.132) 4.459 35.562 ( 2.221 -0.597 -1.154) 2.573 35.774 ( -2.237 -0.499 -0.107) 2.295 35.980 ( -8.025 -1.502 6.627) 10.516 36.550 ( -19.991 -12.773 4.081) 24.071 38.120 ( 10.255 17.168 1.874) 20.085 ======================= Grid point 81 (33/114) ======================= q-point: ( 0.50 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.823 ( -1.830 -3.753 -4.443) 6.097 2.004 ( 4.317 -10.297 7.096) 13.229 2.168 ( -0.023 -5.201 -5.384) 7.486 2.389 ( 9.891 -5.614 -3.211) 11.818 2.581 ( -1.654 9.648 -7.270) 12.194 2.697 ( 5.539 3.992 6.236) 9.247 2.887 ( -1.315 3.952 -6.798) 7.973 3.047 ( 2.816 -0.533 0.319) 2.883 3.164 ( -7.386 -1.090 5.165) 9.078 3.236 ( -1.900 -0.439 4.876) 5.251 3.429 ( 5.930 -1.466 -11.000) 12.583 3.512 ( 0.137 -1.172 0.523) 1.290 3.671 ( 2.586 -2.383 -1.015) 3.660 3.747 ( 5.977 -1.640 -1.470) 6.370 3.756 ( 1.477 4.396 4.389) 6.385 4.104 ( -6.524 1.142 -0.208) 6.626 4.188 ( -10.158 -1.380 -10.901) 14.964 4.252 ( -1.205 -2.290 4.621) 5.297 4.292 ( 8.782 1.404 12.167) 15.071 4.674 ( -0.851 -2.102 -0.557) 2.335 4.765 ( -1.334 2.208 -7.365) 7.803 4.890 ( -0.645 -5.476 3.924) 6.768 4.992 ( -3.822 0.962 -1.844) 4.352 5.328 ( -1.806 1.778 2.141) 3.317 5.488 ( 1.961 3.566 2.713) 4.891 5.597 ( 1.909 -1.693 -4.826) 5.459 5.736 ( -3.700 5.371 -0.671) 6.556 5.852 ( -2.085 3.383 4.912) 6.318 5.881 ( 1.364 -0.311 0.526) 1.495 5.984 ( 1.878 -6.780 1.994) 7.313 7.586 ( -4.433 1.709 -2.791) 5.510 7.715 ( -0.371 1.590 0.765) 1.803 7.795 ( -2.386 1.714 -2.746) 4.022 8.148 ( 11.238 -2.850 4.385) 12.395 8.674 ( -1.854 1.144 -2.060) 2.998 8.788 ( 0.077 -2.084 0.041) 2.085 8.973 ( 2.318 3.660 1.142) 4.480 8.999 ( 3.226 4.646 -0.574) 5.685 9.194 ( -2.671 2.547 -1.308) 3.916 9.262 ( -4.690 1.626 2.515) 5.565 9.619 ( 3.827 1.964 1.186) 4.462 9.700 ( 0.231 2.534 -1.741) 3.083 9.867 ( -3.013 2.049 -2.574) 4.461 9.999 ( -2.214 -4.394 2.919) 5.720 10.112 ( 2.164 5.734 2.563) 6.643 10.442 ( 2.656 5.891 -2.124) 6.802 11.162 ( -2.724 -3.946 0.928) 4.884 11.317 ( -0.997 -4.813 -0.549) 4.946 11.414 ( 2.353 4.127 4.403) 6.477 11.649 ( 6.577 5.207 0.806) 8.427 11.698 ( -1.480 0.007 0.929) 1.748 11.952 ( -1.692 3.079 -3.991) 5.316 12.180 ( -0.496 -1.110 0.186) 1.230 12.218 ( 2.957 -2.299 -0.875) 3.846 12.395 ( 2.597 1.558 2.220) 3.755 12.546 ( 2.462 -0.748 3.078) 4.012 12.637 ( -2.184 3.928 -5.400) 7.025 12.732 ( -3.463 3.664 -1.004) 5.140 13.314 ( 1.720 -5.797 0.811) 6.101 13.639 ( -12.235 -6.388 -3.166) 14.161 13.726 ( 6.142 -3.582 1.397) 7.247 13.858 ( -2.316 5.265 2.055) 6.108 14.309 ( 1.346 2.316 -7.207) 7.688 14.477 ( 0.600 2.825 3.132) 4.261 15.146 ( -2.283 -4.608 -1.989) 5.514 15.224 ( -1.949 -4.218 4.526) 6.486 15.405 ( -1.419 0.364 -1.299) 1.958 15.548 ( -4.150 -10.686 -0.723) 11.486 15.783 ( 10.407 1.477 3.791) 11.174 16.169 ( 0.249 1.924 2.035) 2.811 16.294 ( -11.754 4.109 -7.550) 14.561 16.502 ( 5.352 -13.180 2.237) 14.400 16.937 ( 1.456 -1.718 -1.377) 2.639 17.136 ( -2.872 -4.285 -0.648) 5.199 17.217 ( 1.944 0.022 0.090) 1.946 17.408 ( -0.726 -0.040 1.834) 1.973 19.889 ( 3.732 -6.128 -0.504) 7.192 20.071 ( 3.848 -11.501 -4.795) 13.041 20.354 ( -2.578 13.009 3.010) 13.599 20.640 ( 1.171 11.340 -1.865) 11.552 22.325 ( -2.682 -15.422 2.668) 15.879 22.621 ( 1.964 -4.812 -1.001) 5.293 22.760 ( -2.672 3.529 2.364) 5.019 23.096 ( 1.716 10.395 -1.417) 10.630 27.617 ( -1.271 -22.157 0.842) 22.209 27.659 ( -2.451 -22.475 -1.798) 22.680 28.354 ( -2.226 23.996 -1.671) 24.157 28.991 ( 11.199 17.936 0.846) 21.162 30.628 ( -3.119 -7.061 1.369) 7.840 30.684 ( -4.086 -6.674 0.045) 7.826 30.885 ( -2.733 -16.171 -2.157) 16.541 31.174 ( -1.008 -1.526 -0.735) 1.971 31.240 ( 1.417 -1.186 0.953) 2.079 31.365 ( -2.805 8.561 -1.479) 9.129 31.434 ( 0.258 11.537 -1.845) 11.687 32.438 ( 8.353 1.687 -5.349) 10.061 32.960 ( 6.344 7.707 0.403) 9.990 32.994 ( 3.391 -12.502 -1.969) 13.103 33.091 ( 3.164 5.033 -3.251) 6.776 33.445 ( -0.537 9.960 -2.385) 10.256 35.249 ( -2.823 -0.224 3.180) 4.258 35.354 ( -1.131 -0.795 0.652) 1.529 35.486 ( -1.371 0.071 3.585) 3.839 35.597 ( 1.761 -1.865 -1.391) 2.919 35.796 ( -2.194 -2.447 3.979) 5.161 35.945 ( -9.382 1.731 10.412) 14.122 36.754 ( -4.787 -19.644 -5.216) 20.880 37.849 ( 7.210 20.331 -1.139) 21.602 ======================= Grid point 82 (34/114) ======================= q-point: (-0.38 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( -6.991 11.059 -4.706) 13.904 2.025 ( -1.907 17.126 3.784) 17.642 2.257 ( 5.574 -1.417 -8.370) 10.155 2.384 ( -2.144 3.846 -1.743) 4.735 2.605 ( 0.075 -13.425 -1.196) 13.478 2.708 ( 1.170 0.003 -2.241) 2.528 2.809 ( 4.560 0.113 1.425) 4.779 2.984 ( 0.912 9.177 2.675) 9.602 3.197 ( -1.630 -0.074 3.680) 4.025 3.220 ( -8.326 -1.874 3.219) 9.121 3.390 ( 1.534 11.255 -2.019) 11.537 3.497 ( -0.379 10.198 -2.473) 10.500 3.589 ( 5.466 -0.822 -4.820) 7.334 3.692 ( 4.848 1.044 0.277) 4.967 3.904 ( -0.233 1.609 -1.517) 2.224 4.010 ( -2.802 -2.693 -0.679) 3.945 4.117 ( 5.517 -5.974 -2.350) 8.464 4.355 ( -3.753 -5.602 2.030) 7.042 4.424 ( 1.291 -4.094 6.378) 7.688 4.652 ( 0.192 0.092 0.582) 0.619 4.750 ( 5.060 -2.772 -5.728) 8.130 4.938 ( -0.650 1.899 2.148) 2.940 5.048 ( 0.786 -8.120 -4.214) 9.182 5.304 ( -1.637 0.498 2.539) 3.062 5.520 ( 3.171 -1.156 4.135) 5.337 5.595 ( 0.490 2.355 -2.553) 3.508 5.616 ( -6.924 1.816 0.091) 7.159 5.798 ( -4.488 1.867 3.215) 5.828 5.872 ( 0.744 1.501 -0.687) 1.810 6.161 ( 3.573 -7.252 0.682) 8.113 7.512 ( -4.373 0.932 -1.396) 4.684 7.705 ( -0.469 -0.507 -1.920) 2.040 7.766 ( -1.138 -0.575 1.843) 2.241 8.251 ( 6.233 1.600 0.892) 6.497 8.660 ( -1.325 -1.722 0.009) 2.172 8.812 ( 1.207 0.348 -1.751) 2.155 8.902 ( -1.908 1.822 0.896) 2.786 8.993 ( 1.928 0.328 -1.105) 2.247 9.114 ( -1.897 4.887 3.734) 6.436 9.261 ( -1.899 -3.500 0.042) 3.982 9.579 ( 3.702 4.173 -0.085) 5.579 9.716 ( -3.232 -3.462 -0.108) 4.738 9.805 ( 0.161 -0.370 -2.829) 2.858 10.025 ( 1.556 5.985 2.910) 6.834 10.088 ( -2.592 -4.264 0.524) 5.017 10.348 ( 2.242 3.428 -2.482) 4.789 11.198 ( -3.285 -1.748 1.899) 4.177 11.338 ( 0.055 1.194 0.340) 1.242 11.423 ( -0.944 -1.294 3.807) 4.131 11.613 ( 6.632 4.624 0.924) 8.138 11.663 ( -1.262 3.180 -1.271) 3.650 11.797 ( -4.098 6.094 -3.142) 7.987 12.220 ( 0.192 -2.445 0.948) 2.629 12.294 ( -0.044 -2.953 -0.889) 3.084 12.394 ( 3.346 4.756 -2.769) 6.441 12.509 ( 1.760 6.250 4.412) 7.850 12.647 ( -0.342 -6.223 -2.994) 6.915 12.713 ( 0.146 -7.171 -0.515) 7.191 13.471 ( 3.825 -5.748 3.967) 7.963 13.643 ( -8.345 -4.577 -2.524) 9.847 13.723 ( -1.185 6.620 -0.752) 6.767 13.814 ( 2.420 -1.637 0.116) 2.924 14.126 ( 1.428 11.646 -1.697) 11.855 14.548 ( -2.478 -4.718 -0.161) 5.331 15.202 ( -1.961 5.133 0.950) 5.577 15.239 ( 1.368 -7.408 -4.153) 8.602 15.437 ( 1.953 -4.396 5.502) 7.308 15.646 ( 0.100 -1.647 1.632) 2.321 15.854 ( 2.463 2.391 0.399) 3.456 16.097 ( -3.627 6.986 0.180) 7.873 16.108 ( -5.239 1.029 -1.892) 5.665 16.790 ( 6.285 -12.573 -0.372) 14.061 16.969 ( 2.170 -1.399 -1.912) 3.212 17.165 ( -3.334 -1.964 -1.254) 4.068 17.212 ( 2.574 2.946 1.435) 4.167 17.413 ( -1.874 -0.670 0.751) 2.127 20.043 ( 2.417 -6.977 -1.995) 7.649 20.074 ( -0.872 9.876 0.093) 9.915 20.345 ( 1.746 -12.532 -0.730) 12.674 20.448 ( 0.495 9.553 -2.156) 9.805 22.487 ( -1.453 11.502 2.889) 11.948 22.591 ( -1.164 -12.647 2.686) 12.981 22.870 ( 1.872 1.521 -2.335) 3.357 22.914 ( -0.049 -0.354 -0.824) 0.898 27.906 ( -0.730 22.328 0.010) 22.340 27.964 ( -1.575 -18.994 -2.260) 19.192 28.086 ( -0.851 -24.082 3.566) 24.359 28.787 ( 9.540 13.494 -4.397) 17.101 30.713 ( -5.007 -1.552 1.097) 5.356 30.766 ( 0.067 -5.724 2.005) 6.065 31.079 ( 0.854 -2.679 -2.956) 4.079 31.146 ( -1.215 10.460 -1.370) 10.619 31.201 ( 1.156 -3.380 -0.565) 3.616 31.248 ( -0.897 -1.374 -3.842) 4.178 31.312 ( -1.823 1.234 4.486) 4.997 32.354 ( 8.769 9.906 -9.134) 16.076 32.848 ( -2.080 8.049 1.970) 8.544 33.051 ( 2.521 0.194 -2.443) 3.516 33.210 ( 2.718 -0.785 -0.035) 2.829 33.273 ( -1.332 -1.693 -1.355) 2.545 35.243 ( -2.834 0.409 3.320) 4.384 35.356 ( -0.528 0.252 0.549) 0.802 35.482 ( -1.091 1.398 2.998) 3.483 35.617 ( -0.506 -0.475 -1.891) 2.015 35.857 ( -2.982 -3.447 4.284) 6.255 35.936 ( -7.178 -1.386 11.652) 13.755 37.073 ( 2.373 -20.536 -6.095) 21.552 37.532 ( 4.039 18.437 -2.604) 19.053 ======================= Grid point 83 (35/114) ======================= q-point: (-0.25 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.369 ( -0.981 16.909 5.878) 17.928 1.635 ( -2.154 23.985 6.576) 24.963 2.165 ( -2.035 7.261 -6.206) 9.767 2.358 ( -4.620 -2.352 -1.941) 5.535 2.562 ( 0.121 4.570 -7.250) 8.571 2.662 ( 4.861 14.547 0.900) 15.364 2.802 ( -2.828 29.456 -0.554) 29.596 2.873 ( 7.890 9.094 10.469) 15.954 3.067 ( 0.585 -10.783 3.338) 11.303 3.178 ( -1.031 0.803 2.476) 2.799 3.288 ( -5.186 -4.813 0.712) 7.111 3.508 ( 6.222 -4.623 -1.881) 7.976 3.611 ( 1.183 0.996 -2.051) 2.568 3.760 ( 6.534 -2.562 -1.520) 7.181 3.849 ( -3.357 -1.164 -0.590) 3.602 4.032 ( -1.965 -3.704 -3.015) 5.164 4.341 ( 2.822 -2.976 0.313) 4.113 4.422 ( -3.306 -9.759 -0.881) 10.341 4.532 ( -0.814 -8.948 -3.791) 9.752 4.641 ( 0.900 0.441 -3.690) 3.824 4.871 ( 2.033 -4.140 1.786) 4.946 4.962 ( 3.104 -3.339 5.116) 6.853 5.127 ( 8.649 -0.481 -3.578) 9.372 5.318 ( -0.750 -0.660 2.210) 2.425 5.466 ( -11.283 3.950 4.592) 12.806 5.494 ( -3.368 7.455 -1.714) 8.358 5.640 ( 3.523 -3.733 1.819) 5.445 5.773 ( 1.052 -0.235 -2.778) 2.980 5.857 ( -1.256 -0.708 1.319) 1.954 6.257 ( -0.381 -2.400 -2.168) 3.257 7.482 ( -1.071 0.242 1.697) 2.021 7.695 ( -1.548 -0.951 -2.997) 3.505 7.806 ( 0.270 -1.675 3.662) 4.036 8.186 ( -0.142 6.878 -3.195) 7.585 8.703 ( -0.442 -2.603 2.369) 3.547 8.813 ( 1.268 -2.300 -3.669) 4.512 8.889 ( -1.026 -0.014 0.775) 1.286 8.958 ( -1.724 1.782 -0.355) 2.505 9.107 ( -0.606 -1.455 6.795) 6.976 9.341 ( 0.531 -6.388 -0.222) 6.414 9.542 ( 2.083 1.728 -1.666) 3.178 9.708 ( -1.142 0.969 -4.664) 4.899 9.851 ( 1.525 0.079 0.034) 1.528 9.959 ( -4.024 -0.552 6.069) 7.303 10.129 ( 0.481 -1.356 0.210) 1.454 10.387 ( 2.765 -6.141 -0.837) 6.786 11.207 ( -2.533 -1.038 2.432) 3.662 11.321 ( -0.743 0.390 -0.191) 0.861 11.437 ( -2.742 0.948 2.384) 3.755 11.558 ( -1.415 3.562 -1.719) 4.201 11.611 ( 6.778 2.843 0.983) 7.416 11.700 ( -1.299 3.014 2.292) 4.003 12.174 ( -0.590 12.320 -0.745) 12.356 12.279 ( -0.421 -2.518 0.322) 2.573 12.333 ( -1.496 -1.289 0.069) 1.976 12.524 ( 2.171 -1.280 -1.089) 2.745 12.763 ( 0.791 -8.811 -3.644) 9.568 12.894 ( 1.755 -10.438 -1.066) 10.638 13.492 ( -3.983 4.810 1.794) 6.497 13.581 ( 3.219 6.061 0.590) 6.888 13.739 ( -4.256 -6.231 -4.150) 8.611 13.857 ( 6.736 0.191 6.310) 9.232 13.967 ( -0.193 4.984 0.134) 4.989 14.562 ( -1.163 0.497 -0.728) 1.459 15.079 ( 0.332 7.410 2.096) 7.708 15.389 ( 1.112 -10.103 -5.861) 11.733 15.550 ( -1.520 3.136 -1.861) 3.951 15.638 ( 5.560 7.053 3.699) 9.713 15.712 ( -5.884 -1.263 2.080) 6.367 15.900 ( -3.268 12.025 1.473) 12.548 16.202 ( 1.872 -8.500 1.370) 8.811 16.954 ( -0.847 -3.067 -4.653) 5.636 17.043 ( 6.111 -3.924 0.382) 7.273 17.126 ( -1.747 0.589 -3.856) 4.275 17.198 ( 2.505 2.357 3.479) 4.892 17.391 ( -2.263 1.419 -3.800) 4.644 19.851 ( -1.821 10.507 -0.779) 10.692 20.133 ( 5.559 4.587 -8.527) 11.165 20.370 ( -2.941 -6.250 3.119) 7.579 20.595 ( 1.895 -14.020 -1.100) 14.190 22.269 ( -1.636 13.704 6.245) 15.149 22.631 ( 2.089 13.334 -2.552) 13.735 22.832 ( -2.488 -10.602 1.993) 11.070 23.088 ( 1.132 -10.482 -2.200) 10.770 27.498 ( -0.299 21.545 0.458) 21.552 28.334 ( 2.273 -21.347 1.139) 21.498 28.508 ( 2.907 -18.051 0.192) 18.285 28.569 ( -0.901 7.200 -14.360) 16.089 30.615 ( -1.392 9.153 0.921) 9.304 30.835 ( -0.241 2.317 2.378) 3.328 30.946 ( 0.146 9.076 -0.721) 9.105 31.003 ( 2.482 6.377 3.418) 7.649 31.313 ( -1.502 -2.617 1.169) 3.236 31.328 ( -0.206 -7.766 -2.279) 8.096 31.367 ( 3.580 -7.831 1.194) 8.693 32.163 ( 8.237 11.222 -11.507) 18.061 32.675 ( -2.127 10.342 1.835) 10.716 32.959 ( 0.146 11.268 -1.619) 11.385 33.169 ( -1.440 -3.217 1.437) 3.806 33.461 ( 3.038 -10.439 -1.944) 11.045 35.231 ( -2.380 0.846 3.316) 4.169 35.342 ( -0.098 1.521 0.948) 1.795 35.457 ( -1.080 2.140 2.633) 3.560 35.593 ( -0.446 0.675 -2.956) 3.065 35.911 ( -2.848 -3.735 0.479) 4.721 36.005 ( -8.843 -3.792 14.668) 17.542 37.256 ( -2.368 11.436 0.216) 11.681 37.429 ( 6.721 -18.436 -5.091) 20.273 ======================= Grid point 84 (36/114) ======================= q-point: (-0.12 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 3.971 19.428 16.989) 26.112 1.275 ( 3.525 24.020 13.399) 27.729 1.960 ( 0.161 16.105 -0.257) 16.108 2.119 ( -2.286 20.448 9.241) 22.555 2.391 ( 2.881 4.647 -6.851) 8.765 2.491 ( 4.954 3.590 6.493) 8.922 2.642 ( 1.280 -2.334 -1.701) 3.159 2.766 ( 8.426 15.254 12.207) 21.277 3.179 ( 1.389 0.169 4.521) 4.733 3.295 ( -0.695 -5.085 1.848) 5.454 3.345 ( 2.104 -6.257 -1.311) 6.730 3.588 ( -1.444 -1.121 -3.361) 3.826 3.594 ( 1.821 -0.849 -5.951) 6.281 3.781 ( 1.397 1.346 1.124) 2.242 3.912 ( 1.543 -5.715 -5.135) 7.837 4.079 ( -3.705 -5.551 -4.738) 8.184 4.320 ( -10.247 -1.819 0.142) 10.408 4.484 ( 0.314 -1.397 -7.697) 7.829 4.636 ( 2.045 -1.245 -2.676) 3.591 4.677 ( -2.518 -5.937 -7.474) 9.872 4.939 ( -0.990 -4.479 -0.689) 4.639 4.990 ( -1.551 3.026 -2.108) 4.001 5.222 ( -4.605 10.256 0.101) 11.242 5.259 ( 9.378 -2.656 9.940) 13.921 5.341 ( -2.934 3.528 4.115) 6.163 5.455 ( -1.515 -7.123 3.176) 7.945 5.738 ( 0.185 -1.588 0.806) 1.790 5.791 ( 5.581 -2.395 1.711) 6.310 5.907 ( -0.701 -4.623 0.115) 4.678 6.221 ( -5.212 1.467 -3.723) 6.571 7.503 ( 4.198 0.768 4.350) 6.094 7.688 ( -2.081 -1.416 -1.840) 3.118 7.846 ( -3.628 -1.381 2.134) 4.430 8.024 ( 0.056 6.655 -4.278) 7.912 8.755 ( -2.141 -2.671 1.312) 3.666 8.855 ( 0.886 -2.388 -0.039) 2.548 8.906 ( 4.706 -0.419 1.575) 4.980 8.957 ( -1.454 -3.294 -1.126) 3.772 9.189 ( -0.152 -2.707 8.806) 9.214 9.492 ( 3.241 -8.221 1.564) 8.974 9.521 ( -2.234 1.386 -1.413) 2.985 9.634 ( 5.787 4.342 -1.972) 7.498 9.826 ( -0.158 2.057 1.131) 2.353 10.008 ( -7.918 -4.913 1.550) 9.447 10.184 ( 1.171 -4.087 0.474) 4.277 10.528 ( -0.303 -8.411 -3.185) 8.999 11.235 ( 0.398 -1.080 0.728) 1.362 11.296 ( -3.467 1.152 -0.175) 3.658 11.371 ( -4.092 1.573 -2.481) 5.038 11.538 ( 3.495 1.057 2.157) 4.241 11.618 ( 4.973 4.035 4.064) 7.585 11.661 ( -1.788 0.811 3.339) 3.874 12.025 ( 1.889 3.751 5.779) 7.144 12.325 ( -0.232 -2.432 0.374) 2.471 12.347 ( -1.152 -1.611 0.362) 2.014 12.538 ( 1.024 -0.322 -2.602) 2.815 12.896 ( 2.274 -6.974 -5.976) 9.462 13.042 ( 0.097 -5.802 -3.778) 6.924 13.379 ( -4.521 3.646 1.721) 6.058 13.523 ( 1.888 2.765 0.680) 3.417 13.720 ( -2.630 1.594 -1.940) 3.636 13.809 ( -0.302 6.434 0.800) 6.491 14.128 ( 11.853 -9.017 10.756) 18.371 14.541 ( -0.737 -0.423 -0.879) 1.223 14.973 ( 1.038 8.107 4.213) 9.195 15.297 ( -4.963 12.396 -4.549) 14.106 15.486 ( -3.612 -2.134 -7.099) 8.246 15.547 ( 7.944 10.513 3.174) 13.554 15.645 ( -1.122 6.704 -1.354) 6.930 15.916 ( -1.907 -10.485 3.901) 11.349 16.361 ( 0.515 -6.907 0.969) 6.994 16.937 ( -2.035 -0.060 -5.474) 5.840 16.990 ( -5.096 4.182 -4.375) 7.912 17.174 ( 9.217 3.834 -9.724) 13.935 17.192 ( 2.901 1.072 2.462) 3.953 17.262 ( -4.198 5.647 -3.605) 7.907 19.682 ( 0.142 6.938 -1.456) 7.090 19.967 ( 3.645 8.856 -9.575) 13.543 20.568 ( -1.823 -13.166 3.310) 13.698 20.841 ( 1.121 -12.867 -1.230) 12.975 22.068 ( -2.722 11.848 8.902) 15.067 22.387 ( 2.681 14.164 -1.648) 14.509 22.979 ( -4.619 -7.999 -0.048) 9.237 23.247 ( 1.022 -7.972 -2.774) 8.502 27.160 ( 0.175 16.818 0.762) 16.836 28.072 ( -13.429 23.925 -32.799) 42.760 28.783 ( 9.657 -21.014 3.415) 23.378 28.939 ( 0.494 -23.622 1.805) 23.696 30.474 ( 7.120 9.045 4.663) 12.420 30.734 ( -1.250 6.398 0.693) 6.555 30.804 ( -2.186 7.962 1.966) 8.488 30.940 ( 6.539 8.219 8.902) 13.768 31.364 ( 3.659 -1.533 -3.174) 5.081 31.465 ( 2.953 -6.998 0.490) 7.612 31.558 ( -0.461 -11.905 1.191) 11.973 32.002 ( 20.232 9.640 -13.926) 26.386 32.494 ( 2.698 10.998 2.776) 11.659 32.730 ( -0.200 13.149 -0.205) 13.152 33.237 ( -1.682 -4.142 0.381) 4.486 33.631 ( 2.763 -7.584 -2.431) 8.429 35.217 ( -1.626 0.986 3.248) 3.764 35.316 ( -0.002 1.933 1.495) 2.444 35.424 ( -0.845 2.097 1.993) 3.014 35.573 ( 0.243 -0.802 -2.829) 2.951 35.944 ( -4.233 -3.375 -2.348) 5.901 36.051 ( -7.024 0.873 9.503) 11.849 37.122 ( -20.785 -3.534 11.501) 24.016 37.762 ( 8.792 -14.444 -3.031) 17.179 ======================= Grid point 87 (37/114) ======================= q-point: ( 0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.525 ( 10.522 -0.000 16.689) 19.729 1.726 ( 16.778 -0.000 27.770) 32.445 2.212 ( -9.043 0.000 -4.669) 10.177 2.392 ( 20.882 -0.000 -8.161) 22.420 2.552 ( 16.990 -0.000 10.606) 20.029 2.608 ( -7.926 0.000 -10.647) 13.274 2.714 ( 6.655 -0.000 5.361) 8.546 2.859 ( 0.947 -0.000 -3.839) 3.954 2.929 ( 9.320 -0.000 -6.072) 11.123 3.186 ( 0.885 -0.000 -3.621) 3.727 3.258 ( -0.460 0.000 -7.749) 7.763 3.340 ( 0.208 -0.000 -11.912) 11.914 3.617 ( -2.019 0.000 -1.984) 2.831 3.738 ( -2.789 0.000 4.583) 5.365 3.852 ( -4.835 0.000 5.929) 7.651 4.115 ( -11.741 0.000 5.052) 12.782 4.222 ( 0.024 -0.000 2.927) 2.927 4.276 ( -10.573 0.000 -1.854) 10.734 4.419 ( -5.489 0.000 1.503) 5.691 4.715 ( 1.558 -0.000 3.048) 3.423 4.718 ( 2.372 -0.000 1.239) 2.676 4.888 ( -6.708 0.000 -4.264) 7.948 5.156 ( -2.616 0.000 -0.259) 2.629 5.383 ( 3.286 -0.000 3.965) 5.150 5.503 ( -9.476 0.000 -6.683) 11.596 5.523 ( 1.765 -0.000 8.859) 9.033 5.738 ( -6.105 0.000 -0.959) 6.180 5.842 ( -1.704 0.000 2.552) 3.069 6.100 ( 8.690 -0.000 2.935) 9.173 6.181 ( 0.569 -0.000 -2.929) 2.983 7.675 ( 4.633 -0.000 1.418) 4.845 7.685 ( 2.876 -0.000 2.442) 3.773 7.964 ( 0.696 -0.000 -4.976) 5.024 8.000 ( 8.426 -0.000 4.438) 9.524 8.820 ( -2.696 0.000 2.061) 3.393 8.912 ( -4.186 0.000 -4.441) 6.103 9.092 ( 4.362 -0.000 0.518) 4.393 9.133 ( -13.777 0.000 -0.791) 13.799 9.267 ( 7.779 -0.000 0.051) 7.780 9.318 ( -3.303 0.000 -1.170) 3.504 9.623 ( 3.570 -0.000 -2.168) 4.177 9.743 ( -3.071 0.000 4.614) 5.543 9.915 ( 2.466 -0.000 1.610) 2.945 9.965 ( 10.199 -0.000 1.159) 10.264 10.327 ( 1.318 -0.000 1.356) 1.891 10.600 ( 2.095 -0.000 -0.444) 2.142 10.975 ( -4.665 0.000 3.577) 5.878 11.159 ( -2.306 0.000 -5.973) 6.403 11.580 ( 4.274 -0.000 0.001) 4.274 11.621 ( 3.553 -0.000 5.543) 6.584 11.751 ( 4.180 -0.000 6.607) 7.818 11.803 ( 0.927 -0.000 -5.592) 5.668 12.309 ( -4.701 0.000 -1.421) 4.911 12.380 ( -1.403 0.000 0.223) 1.421 12.545 ( -5.136 0.000 -5.833) 7.772 12.589 ( 3.015 -0.000 10.903) 11.312 12.844 ( 0.414 -0.000 -5.915) 5.930 12.963 ( 6.761 -0.000 -13.641) 15.224 13.334 ( 1.136 -0.000 1.258) 1.695 13.361 ( -2.524 0.000 -0.761) 2.636 13.565 ( -4.308 0.000 5.479) 6.970 13.733 ( -2.521 0.000 0.438) 2.559 14.517 ( -10.227 0.000 -5.856) 11.785 14.664 ( 2.457 -0.000 -0.601) 2.529 14.726 ( -4.797 0.000 -1.914) 5.164 14.914 ( -0.166 0.000 -2.911) 2.916 15.071 ( -11.108 0.000 -0.542) 11.121 15.293 ( -1.031 0.000 -0.980) 1.423 15.570 ( 13.064 -0.000 -0.759) 13.087 16.068 ( 10.220 -0.000 -1.000) 10.269 16.479 ( -5.620 0.000 0.418) 5.636 16.508 ( -6.484 0.000 2.356) 6.898 16.868 ( 0.176 -0.000 -0.479) 0.510 16.952 ( -0.114 0.000 -1.383) 1.388 17.057 ( -5.896 0.000 0.572) 5.923 17.380 ( 3.760 -0.000 4.262) 5.683 19.702 ( 2.594 -0.000 -5.835) 6.386 19.767 ( 9.050 -0.000 2.267) 9.329 20.987 ( 0.773 -0.000 1.611) 1.786 21.042 ( -0.660 0.000 -0.133) 0.674 21.714 ( -5.125 0.000 2.626) 5.759 22.105 ( 2.475 -0.000 -0.909) 2.637 23.163 ( -0.875 0.000 1.304) 1.570 23.378 ( 1.823 -0.000 -1.204) 2.185 26.836 ( -0.233 0.000 0.087) 0.249 26.843 ( -0.183 0.000 -0.085) 0.201 29.448 ( -1.585 0.000 -3.093) 3.476 29.555 ( 4.567 -0.000 2.837) 5.377 30.042 ( -8.182 0.000 1.371) 8.296 30.491 ( -3.669 0.000 -3.050) 4.772 30.493 ( -4.786 0.000 -1.869) 5.138 31.048 ( 0.128 -0.000 -4.529) 4.531 31.138 ( -2.055 0.000 -1.200) 2.379 31.784 ( -2.373 0.000 0.606) 2.449 31.969 ( 4.147 -0.000 1.866) 4.548 32.112 ( 2.970 -0.000 0.731) 3.059 32.438 ( 1.087 -0.000 -0.277) 1.122 33.225 ( -4.462 0.000 1.763) 4.797 33.465 ( 47.249 -0.000 -34.855) 58.714 33.798 ( 9.820 -0.000 -10.452) 14.341 35.214 ( -1.781 0.000 1.718) 2.475 35.337 ( 0.096 -0.000 3.109) 3.111 35.442 ( -0.524 0.000 4.443) 4.474 35.647 ( -1.274 0.000 -3.101) 3.352 35.712 ( -1.576 0.000 1.292) 2.038 35.781 ( -2.335 0.000 -4.140) 4.753 36.403 ( -44.535 0.000 28.062) 52.638 38.459 ( 11.366 -0.000 5.425) 12.594 ======================= Grid point 88 (38/114) ======================= q-point: ( 0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 5.121 -4.367 12.652) 14.331 1.808 ( 9.605 13.792 11.646) 20.447 2.134 ( -3.125 -1.593 -7.650) 8.415 2.363 ( 2.078 2.084 -1.372) 3.247 2.575 ( 14.673 -5.868 -11.304) 19.430 2.774 ( 1.113 -0.971 1.341) 1.995 2.895 ( 15.643 -0.007 8.815) 17.956 2.963 ( 0.832 -17.628 -5.417) 18.461 3.006 ( 1.587 -2.786 -6.157) 6.942 3.146 ( -0.039 -0.020 -1.521) 1.521 3.267 ( -1.077 -3.979 -6.857) 8.001 3.362 ( 4.527 -6.533 -6.204) 10.083 3.612 ( 3.861 -0.543 -0.505) 3.932 3.671 ( -3.386 5.085 2.015) 6.433 3.850 ( -10.513 -1.754 3.228) 11.137 4.058 ( -6.814 0.083 7.151) 9.877 4.167 ( -16.846 -1.026 -3.011) 17.144 4.199 ( -0.408 1.188 -4.242) 4.424 4.426 ( 3.614 2.779 9.205) 10.272 4.650 ( 0.926 4.630 4.433) 6.477 4.810 ( -2.987 1.375 -5.263) 6.206 4.817 ( 1.617 -2.978 2.011) 3.940 5.092 ( -4.358 3.085 -0.315) 5.349 5.403 ( -6.568 -2.956 -3.329) 7.935 5.477 ( 3.054 -1.185 -0.433) 3.304 5.572 ( -1.004 0.929 7.909) 8.026 5.705 ( -2.548 -2.663 -3.123) 4.831 5.861 ( -1.772 -1.993 1.576) 3.098 6.076 ( 2.449 8.243 -2.258) 8.891 6.120 ( 2.774 6.884 2.274) 7.763 7.671 ( 2.666 2.856 -0.207) 3.912 7.769 ( 3.697 -1.148 3.546) 5.250 7.914 ( -0.371 3.309 -3.817) 5.065 8.066 ( 6.974 -0.240 2.863) 7.542 8.756 ( -3.513 2.605 0.187) 4.378 8.833 ( -1.941 4.134 -2.140) 5.044 9.043 ( -5.900 -0.357 0.905) 5.980 9.122 ( -2.365 -0.610 -1.276) 2.756 9.269 ( 4.528 3.366 -2.138) 6.034 9.306 ( -3.064 -0.361 -0.071) 3.086 9.649 ( 4.909 0.388 -0.308) 4.934 9.735 ( -1.953 0.157 -1.105) 2.249 9.922 ( -0.495 0.668 2.808) 2.928 10.048 ( 10.326 3.050 2.617) 11.081 10.308 ( 0.307 4.052 3.266) 5.214 10.595 ( 2.761 2.374 0.677) 3.704 11.000 ( -3.275 -3.743 2.948) 5.782 11.139 ( -1.031 -2.894 -4.100) 5.124 11.582 ( 3.918 2.969 1.595) 5.168 11.667 ( 0.010 -0.131 2.017) 2.022 11.774 ( 4.900 1.339 0.573) 5.112 11.852 ( 2.252 -3.298 2.284) 4.600 12.235 ( -1.605 2.570 -0.673) 3.104 12.327 ( -8.288 2.934 -5.613) 10.430 12.471 ( -0.230 0.154 -0.566) 0.631 12.647 ( 2.712 1.643 9.530) 10.044 12.766 ( 0.776 5.220 -5.121) 7.353 12.836 ( 1.445 8.549 -13.217) 15.807 13.239 ( -0.828 1.456 0.344) 1.710 13.522 ( -0.002 -3.614 4.845) 6.044 13.658 ( 0.796 -7.010 -0.519) 7.074 13.683 ( -3.028 -3.142 3.008) 5.300 14.304 ( -11.167 6.278 -7.021) 14.609 14.732 ( 4.470 -5.008 -2.907) 7.315 14.916 ( -3.132 -9.611 -3.390) 10.661 14.950 ( 0.198 -13.967 3.615) 14.429 15.086 ( -8.293 -7.975 -1.166) 11.564 15.215 ( -1.376 3.858 -0.960) 4.207 15.771 ( 13.522 -8.106 -0.533) 15.775 16.121 ( 5.551 0.409 0.686) 5.609 16.383 ( -5.307 4.704 0.495) 7.109 16.415 ( -8.272 4.393 -0.299) 9.371 16.880 ( 0.697 -1.348 -1.001) 1.818 16.983 ( 0.291 -3.522 -0.591) 3.583 17.083 ( -3.831 -5.769 0.140) 6.926 17.422 ( 1.678 0.161 2.959) 3.406 19.742 ( 3.333 -5.240 -4.071) 7.426 19.831 ( 6.990 1.111 1.807) 7.304 20.841 ( -0.823 12.642 2.282) 12.873 21.012 ( 0.964 6.599 -1.265) 6.788 21.799 ( -4.368 -11.396 2.431) 12.445 22.216 ( 1.924 -10.135 -1.346) 10.403 23.086 ( -1.328 7.887 2.144) 8.281 23.353 ( 1.850 3.780 -1.171) 4.369 26.944 ( -0.158 -12.158 1.104) 12.209 26.973 ( -1.076 -13.855 -1.681) 13.998 29.157 ( -1.654 20.933 -2.184) 21.112 29.566 ( 5.858 9.185 1.249) 10.965 30.181 ( -6.285 -18.194 -1.034) 19.277 30.459 ( -3.131 -2.023 -0.324) 3.742 30.497 ( -3.883 -4.024 -1.775) 5.867 31.058 ( 0.805 -2.876 -1.516) 3.350 31.151 ( -0.794 -2.719 -0.504) 2.877 31.688 ( -1.411 7.809 0.200) 7.938 31.870 ( 2.131 11.313 0.080) 11.513 32.239 ( 2.071 -8.446 -0.272) 8.700 32.551 ( 1.480 -10.574 -0.978) 10.721 33.182 ( -4.406 2.554 2.889) 5.855 33.486 ( 32.595 10.932 -25.661) 42.900 33.747 ( 8.929 6.909 -10.977) 15.746 35.220 ( -1.987 -1.132 1.586) 2.784 35.343 ( -0.773 0.877 2.529) 2.786 35.460 ( -1.788 -0.463 3.871) 4.290 35.583 ( 0.797 1.560 1.258) 2.157 35.750 ( -1.055 -0.483 -0.529) 1.275 35.858 ( -0.738 -9.831 -0.745) 9.887 36.272 ( -31.845 -3.765 20.560) 38.092 38.457 ( 7.515 10.945 2.711) 13.550 ======================= Grid point 89 (39/114) ======================= q-point: ( 0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( 4.930 -2.082 4.302) 6.866 1.872 ( -2.192 -6.193 4.684) 8.069 2.110 ( -1.133 -0.995 -4.397) 4.648 2.427 ( 13.164 -0.921 -1.694) 13.304 2.651 ( 10.084 0.817 -10.196) 14.364 2.841 ( -4.324 3.481 -8.502) 10.154 2.881 ( 0.082 -2.581 2.174) 3.376 3.024 ( 1.331 -0.005 -0.467) 1.410 3.081 ( 1.715 0.761 4.992) 5.333 3.241 ( -4.088 -3.866 -5.687) 8.000 3.350 ( 6.191 -7.922 1.190) 10.125 3.478 ( 3.316 -3.581 -0.173) 4.884 3.611 ( 0.083 -1.926 -3.809) 4.269 3.702 ( 7.529 -5.278 -3.665) 9.899 3.821 ( -7.721 0.108 6.810) 10.296 4.024 ( -12.742 0.887 -3.755) 13.313 4.092 ( -4.839 -2.271 3.629) 6.461 4.163 ( 0.710 -1.511 -6.350) 6.566 4.465 ( 2.735 0.415 7.469) 7.965 4.654 ( 0.677 -0.047 7.899) 7.929 4.738 ( -0.490 0.917 -6.690) 6.770 4.840 ( -2.168 1.391 0.201) 2.583 5.021 ( -2.184 2.044 3.214) 4.390 5.389 ( 0.228 2.338 1.113) 2.599 5.490 ( -4.838 -0.816 -1.051) 5.018 5.551 ( 0.014 -0.992 -3.048) 3.206 5.804 ( 3.330 -7.673 -0.959) 8.419 5.880 ( -1.709 0.921 0.329) 1.969 5.917 ( 0.632 6.886 -2.305) 7.289 5.990 ( -0.917 9.619 5.448) 11.093 7.618 ( 0.577 4.281 -0.820) 4.397 7.747 ( -1.796 3.210 -1.552) 3.993 7.832 ( 0.053 4.128 1.142) 4.284 8.187 ( 8.279 -3.843 2.021) 9.349 8.725 ( -0.175 5.419 0.440) 5.440 8.738 ( -1.878 -2.264 0.544) 2.991 9.047 ( 1.963 0.719 1.502) 2.575 9.088 ( -4.167 -0.559 -1.041) 4.332 9.190 ( 1.041 6.475 -1.403) 6.707 9.278 ( -3.516 1.187 0.732) 3.782 9.639 ( -0.790 0.577 -4.791) 4.889 9.727 ( 5.106 2.000 0.458) 5.503 9.916 ( -5.490 -1.154 1.181) 5.733 10.001 ( 4.089 8.554 0.319) 9.487 10.247 ( 1.379 5.019 3.072) 6.044 10.552 ( 1.790 5.021 -1.119) 5.446 11.072 ( -1.739 -4.903 1.587) 5.439 11.206 ( -0.463 -6.166 -0.488) 6.203 11.538 ( 0.673 5.157 2.189) 5.643 11.674 ( -1.254 -1.356 -0.194) 1.857 11.802 ( 8.976 3.523 2.349) 9.924 11.910 ( -2.265 -1.472 -3.336) 4.293 12.160 ( -4.483 0.950 -3.496) 5.764 12.237 ( 2.374 1.585 1.451) 3.202 12.475 ( 3.168 1.812 1.525) 3.956 12.602 ( -1.304 6.506 -7.055) 9.685 12.645 ( -1.049 3.633 -2.710) 4.652 12.739 ( -0.026 -1.091 4.127) 4.268 13.258 ( 1.518 -3.284 0.920) 3.733 13.495 ( -6.968 1.480 0.977) 7.190 13.697 ( 0.907 -3.715 2.043) 4.335 13.942 ( 8.003 -4.753 5.738) 10.934 14.118 ( -9.711 -3.760 -9.759) 14.272 14.710 ( 4.582 10.729 -0.923) 11.703 15.037 ( -3.233 -6.274 -2.180) 7.387 15.108 ( -4.199 -6.441 2.781) 8.176 15.267 ( -0.114 -14.465 0.460) 14.473 15.296 ( -2.327 -11.700 -0.459) 11.938 15.934 ( 12.409 1.166 1.492) 12.553 16.191 ( 0.071 -1.348 -2.094) 2.492 16.249 ( -6.881 4.433 -2.347) 8.515 16.330 ( -3.113 -5.809 2.717) 7.129 16.908 ( 0.900 -1.871 -1.314) 2.457 17.053 ( 0.017 -3.757 0.021) 3.758 17.168 ( -1.041 -5.529 0.214) 5.630 17.428 ( -0.348 1.139 1.568) 1.969 19.866 ( 4.155 -0.506 0.605) 4.229 19.885 ( 3.674 -9.445 -2.460) 10.429 20.602 ( -1.700 14.462 2.329) 14.747 20.840 ( 1.110 11.439 -2.091) 11.681 22.033 ( -3.357 -15.979 2.051) 16.456 22.429 ( 1.651 -12.725 -1.933) 12.976 22.920 ( -2.237 10.380 2.938) 11.017 23.259 ( 1.487 7.425 -1.416) 7.704 27.240 ( -0.744 -19.289 0.259) 19.305 27.262 ( -0.750 -20.486 0.510) 20.506 28.752 ( -0.268 22.928 -0.648) 22.939 29.362 ( 5.226 16.742 -2.098) 17.664 30.474 ( -1.851 -14.494 -2.720) 14.863 30.524 ( -1.867 -8.879 3.502) 9.726 30.561 ( -3.654 -8.703 -1.193) 9.514 31.116 ( -0.530 -3.247 -0.165) 3.294 31.212 ( 0.841 -3.536 1.695) 4.010 31.521 ( -0.752 9.778 -0.189) 9.809 31.656 ( 0.909 13.209 -1.477) 13.322 32.386 ( 2.041 -6.987 -3.425) 8.045 32.774 ( 1.818 -13.293 -1.372) 13.487 33.102 ( -3.567 5.055 3.691) 7.204 33.329 ( 21.853 15.123 -17.937) 32.062 33.595 ( 2.364 9.048 -6.275) 11.262 35.236 ( -1.947 -0.967 2.438) 3.266 35.338 ( -0.934 -0.291 1.051) 1.436 35.479 ( -3.222 -1.277 3.899) 5.217 35.594 ( 2.128 0.070 1.038) 2.369 35.766 ( -0.963 -1.515 2.439) 3.028 35.945 ( -7.911 -0.675 8.269) 11.464 36.365 ( -9.996 -17.117 4.825) 20.401 38.235 ( 4.127 18.633 -1.908) 19.180 ======================= Grid point 90 (40/114) ======================= q-point: (-0.38 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 4.255 7.168 1.853) 8.540 2.108 ( 0.751 -20.843 2.202) 20.973 2.136 ( -1.289 -3.737 1.513) 4.232 2.467 ( 6.944 11.043 -1.392) 13.119 2.536 ( 2.691 8.589 -8.281) 12.231 2.745 ( 6.154 0.091 -6.589) 9.017 2.828 ( -0.325 2.961 -3.254) 4.412 3.044 ( -11.436 -6.768 2.521) 13.526 3.115 ( 2.403 0.378 1.162) 2.696 3.259 ( -2.547 1.927 8.090) 8.698 3.503 ( 2.132 -4.996 -1.334) 5.594 3.519 ( 6.376 2.652 -1.085) 6.990 3.648 ( -0.885 1.020 -7.167) 7.293 3.715 ( 1.424 0.037 -5.057) 5.254 3.892 ( 3.677 -5.466 -3.168) 7.310 3.900 ( -8.129 1.498 0.500) 8.281 4.086 ( 1.666 -0.665 -0.691) 1.922 4.199 ( -4.612 -5.663 -3.194) 7.971 4.494 ( -2.626 1.582 5.004) 5.868 4.682 ( 2.626 1.503 -1.450) 3.355 4.730 ( 3.756 -0.087 4.727) 6.038 4.859 ( -1.369 -8.036 -0.831) 8.194 4.992 ( -0.874 2.555 2.466) 3.657 5.330 ( -1.623 2.425 2.837) 4.070 5.518 ( 1.026 -3.388 -0.452) 3.568 5.571 ( 1.467 -1.973 -4.701) 5.305 5.711 ( -0.877 10.936 2.814) 11.326 5.848 ( -3.954 3.651 2.503) 5.935 5.894 ( -0.571 2.089 1.287) 2.519 5.997 ( -0.435 -10.440 -2.920) 10.849 7.538 ( -0.027 3.766 0.523) 3.802 7.692 ( -0.142 1.191 -1.498) 1.919 7.794 ( 1.328 1.845 3.512) 4.183 8.278 ( 1.111 -1.608 -2.345) 3.052 8.675 ( 2.030 2.197 3.616) 4.693 8.784 ( -0.803 -2.985 0.108) 3.093 8.989 ( -0.085 6.670 -0.961) 6.739 9.043 ( 2.432 5.034 -0.910) 5.664 9.161 ( -3.480 -5.081 -0.326) 6.167 9.210 ( -1.523 4.304 2.357) 5.138 9.626 ( 2.034 -1.008 -2.577) 3.434 9.698 ( -0.529 4.123 0.346) 4.171 9.818 ( -1.536 4.516 -3.772) 6.081 9.978 ( -1.998 -4.415 0.286) 4.855 10.174 ( 0.720 6.871 2.937) 7.507 10.446 ( 1.861 5.803 -2.698) 6.665 11.149 ( -1.385 -3.416 2.424) 4.412 11.308 ( 0.153 -4.692 0.003) 4.695 11.461 ( -1.653 3.968 3.182) 5.348 11.679 ( -2.087 0.416 -0.481) 2.182 11.775 ( 3.992 6.698 -0.451) 7.811 11.819 ( -0.131 3.304 -5.749) 6.633 12.177 ( -0.748 -3.211 1.012) 3.449 12.259 ( 1.354 -0.868 1.065) 1.929 12.469 ( 3.380 -0.346 -6.404) 7.250 12.496 ( -4.525 0.099 -0.916) 4.618 12.619 ( 1.396 -1.487 -0.372) 2.073 12.716 ( 0.730 7.138 3.943) 8.187 13.399 ( 3.055 -8.423 2.024) 9.186 13.478 ( -3.524 -3.574 3.417) 6.072 13.764 ( -1.491 -1.960 0.838) 2.601 13.872 ( -0.525 5.985 -2.524) 6.517 14.261 ( 5.959 -4.473 -4.446) 8.677 14.511 ( -2.294 8.406 3.877) 9.537 15.098 ( -0.264 -6.113 -3.028) 6.827 15.232 ( -2.502 -4.114 3.881) 6.184 15.393 ( -0.995 -2.585 -0.795) 2.882 15.500 ( 0.156 -10.686 0.846) 10.721 16.019 ( 10.472 3.665 4.000) 11.794 16.044 ( -9.054 2.274 -4.181) 10.229 16.176 ( -0.946 3.270 1.636) 3.777 16.556 ( 0.075 -15.005 -2.011) 15.139 16.947 ( 2.203 -1.990 -0.659) 3.041 17.099 ( -1.610 -2.413 -1.094) 3.100 17.249 ( 1.213 -2.312 1.430) 2.977 17.405 ( -1.568 1.076 1.026) 2.161 19.935 ( 2.144 -4.871 0.406) 5.338 20.088 ( 3.684 -10.545 -2.591) 11.466 20.348 ( -2.248 13.008 2.567) 13.448 20.629 ( 0.986 11.571 -3.022) 11.999 22.308 ( -2.599 -16.084 1.246) 16.340 22.645 ( 2.844 -8.486 -1.850) 9.139 22.741 ( -3.673 6.781 3.298) 8.388 23.100 ( 1.039 10.571 -1.690) 10.755 27.593 ( 1.500 -20.593 0.232) 20.649 27.662 ( -2.200 -23.849 2.445) 24.075 28.338 ( 0.803 24.268 0.988) 24.302 29.068 ( 2.255 16.741 -6.790) 18.206 30.607 ( -1.803 -6.915 2.254) 7.493 30.661 ( -0.077 -7.032 1.731) 7.242 30.838 ( 0.289 -17.509 -1.953) 17.620 31.160 ( 0.876 -1.893 0.614) 2.174 31.275 ( -0.265 -0.605 2.643) 2.724 31.343 ( 0.591 9.602 0.802) 9.654 31.422 ( 0.021 11.850 -1.834) 11.991 32.443 ( 3.421 0.094 -9.217) 9.832 32.964 ( -2.370 0.949 -0.481) 2.598 33.045 ( 1.453 -7.122 2.300) 7.624 33.139 ( 9.769 9.249 -8.873) 16.115 33.406 ( -0.319 10.093 -2.978) 10.528 35.246 ( -2.160 -0.073 3.272) 3.922 35.352 ( 0.061 -0.880 0.660) 1.102 35.493 ( -4.087 -0.670 4.113) 5.837 35.609 ( 2.032 0.375 -0.819) 2.222 35.807 ( -2.521 -2.170 4.107) 5.285 35.924 ( -8.989 -0.019 9.987) 13.436 36.703 ( 2.617 -21.166 -0.355) 21.330 37.881 ( 1.765 20.626 -5.694) 21.471 ======================= Grid point 91 (41/114) ======================= q-point: (-0.25 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.722 ( 11.904 11.820 8.653) 18.876 2.032 ( -3.543 16.152 3.687) 16.942 2.291 ( 9.580 5.752 -4.750) 12.142 2.299 ( -4.165 4.293 -4.467) 7.465 2.593 ( -4.041 -15.048 0.905) 15.608 2.648 ( 4.844 6.806 -3.597) 9.095 2.941 ( 5.932 -6.985 -5.210) 10.541 3.061 ( -5.169 2.031 7.774) 9.554 3.122 ( -0.076 -3.889 -0.923) 3.998 3.229 ( -1.479 4.615 10.535) 11.596 3.327 ( -1.708 19.510 -3.454) 19.887 3.482 ( 0.552 -0.001 -3.561) 3.604 3.587 ( 0.040 -1.912 -7.303) 7.549 3.764 ( 3.178 -3.952 -5.903) 7.782 3.870 ( 5.348 3.580 5.109) 8.217 3.937 ( -3.200 -3.284 -3.081) 5.524 4.172 ( -12.011 -7.301 -2.318) 14.246 4.281 ( 4.342 -7.074 -1.046) 8.366 4.456 ( -2.599 0.885 0.213) 2.754 4.673 ( 5.648 2.272 2.925) 6.755 4.818 ( 1.489 -3.893 2.012) 4.628 4.966 ( -1.391 -0.463 0.478) 1.542 5.042 ( 5.275 -10.831 -2.426) 12.289 5.317 ( -1.425 0.682 3.219) 3.586 5.500 ( -7.352 1.138 -2.458) 7.835 5.552 ( -0.904 7.389 3.777) 8.348 5.647 ( 6.571 -1.592 -0.170) 6.763 5.775 ( -1.918 2.398 2.079) 3.708 5.867 ( -1.020 0.887 0.547) 1.458 6.122 ( -4.610 -7.606 -5.284) 10.345 7.515 ( 3.098 0.993 2.681) 4.215 7.676 ( 0.978 0.586 -0.201) 1.158 7.815 ( 1.501 -0.006 3.546) 3.850 8.234 ( -4.913 2.097 -5.866) 7.934 8.699 ( 2.644 0.435 3.598) 4.486 8.801 ( 0.708 1.007 -2.328) 2.633 8.875 ( -1.653 1.773 -0.362) 2.451 8.993 ( 0.295 2.160 -1.397) 2.589 9.151 ( -0.077 0.805 4.158) 4.236 9.238 ( -0.068 -3.295 0.924) 3.423 9.589 ( -0.802 4.384 -3.861) 5.896 9.627 ( -4.626 -1.902 -1.675) 5.275 9.842 ( 5.629 -3.865 0.278) 6.834 10.041 ( -2.504 3.481 2.366) 4.898 10.063 ( -1.652 -1.579 -0.851) 2.439 10.391 ( 3.808 1.968 0.587) 4.327 11.194 ( -0.912 -1.196 2.966) 3.326 11.330 ( -0.811 1.446 -0.281) 1.681 11.444 ( -2.358 -0.201 3.414) 4.154 11.592 ( -2.369 3.499 -2.011) 4.679 11.695 ( -0.292 2.766 -1.024) 2.964 11.773 ( 5.162 3.441 -0.091) 6.204 12.233 ( -0.315 -2.696 0.735) 2.812 12.263 ( -0.735 0.435 -3.205) 3.317 12.416 ( 2.529 8.168 -1.322) 8.653 12.495 ( -5.127 -3.068 -0.013) 5.975 12.635 ( 1.278 -1.204 -1.515) 2.319 12.722 ( 1.393 -7.968 -0.037) 8.089 13.526 ( -3.759 -0.747 2.794) 4.743 13.572 ( 1.948 -5.895 -1.229) 6.329 13.722 ( 0.933 4.286 0.179) 4.390 13.870 ( 3.338 -5.096 3.108) 6.839 14.143 ( 2.469 12.953 0.913) 13.217 14.531 ( 0.038 -3.320 -0.320) 3.336 15.194 ( -1.070 -2.452 -0.234) 2.685 15.241 ( 3.494 0.059 0.115) 3.497 15.457 ( -4.751 -8.285 1.347) 9.645 15.591 ( -4.179 1.263 -3.783) 5.777 15.889 ( 0.874 3.341 1.862) 3.923 16.070 ( -3.718 8.367 0.604) 9.176 16.140 ( 8.940 -1.375 5.131) 10.399 16.763 ( -3.720 -11.528 -6.484) 13.739 17.017 ( 4.080 -3.564 0.484) 5.439 17.096 ( -2.402 -0.013 -3.139) 3.952 17.276 ( 2.049 1.385 3.207) 4.050 17.380 ( -2.341 0.945 -0.375) 2.553 20.034 ( -0.055 8.093 -1.721) 8.275 20.085 ( 1.580 -4.024 -0.306) 4.334 20.369 ( 1.392 -10.167 0.036) 10.262 20.423 ( 0.484 8.283 -2.914) 8.794 22.497 ( -1.724 5.717 2.843) 6.613 22.587 ( -2.777 -7.479 2.056) 8.239 22.878 ( 2.361 -4.715 -2.152) 5.695 22.899 ( -0.036 5.090 -1.268) 5.246 27.893 ( -0.339 17.432 0.023) 17.436 27.999 ( 5.141 -17.833 2.728) 18.758 28.099 ( -2.737 -20.246 3.083) 20.662 28.726 ( -2.861 15.451 -13.687) 20.839 30.698 ( -0.195 -0.649 3.516) 3.581 30.792 ( -1.141 -5.829 2.636) 6.498 31.058 ( 2.384 -7.545 -2.799) 8.394 31.128 ( 0.218 9.222 -0.073) 9.225 31.227 ( 0.065 3.828 -0.364) 3.846 31.298 ( 1.306 -1.725 1.722) 2.765 31.324 ( 4.535 -1.949 4.554) 6.716 32.320 ( 4.016 8.319 -13.396) 16.272 32.841 ( -1.683 8.074 2.168) 8.528 33.068 ( 3.561 1.221 -3.166) 4.919 33.207 ( -2.888 8.570 -0.287) 9.048 33.273 ( 2.705 -11.124 -0.457) 11.457 35.245 ( -2.220 0.468 3.682) 4.325 35.366 ( 0.566 0.292 1.016) 1.199 35.486 ( -3.790 0.538 3.847) 5.427 35.598 ( 1.895 1.389 -2.464) 3.405 35.839 ( -3.642 -2.006 2.171) 4.690 35.947 ( -8.883 -3.268 11.672) 15.028 37.111 ( 7.603 -20.553 -1.215) 21.948 37.501 ( -0.879 18.133 -6.992) 19.454 ======================= Grid point 92 (42/114) ======================= q-point: (-0.12 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 9.739 19.427 12.232) 24.938 1.769 ( 9.144 18.306 7.554) 21.813 2.114 ( 1.496 8.127 -3.891) 9.134 2.269 ( 1.179 1.902 -3.143) 3.858 2.449 ( -2.034 10.645 -5.788) 12.286 2.680 ( 1.112 3.444 3.636) 5.130 2.958 ( 6.860 9.568 1.536) 11.873 3.052 ( 3.010 7.992 9.470) 12.752 3.144 ( -1.833 0.291 0.032) 1.856 3.179 ( -1.002 -8.624 0.888) 8.727 3.296 ( 7.796 -2.465 6.845) 10.664 3.527 ( 1.271 -4.947 -4.190) 6.606 3.552 ( -1.970 -0.364 -4.910) 5.303 3.796 ( -3.890 -1.898 -2.482) 4.990 3.887 ( 8.428 3.813 3.014) 9.729 3.950 ( -1.578 -2.331 -1.536) 3.207 4.144 ( -15.592 -6.021 -3.109) 17.001 4.372 ( -3.348 -4.340 -6.286) 8.340 4.491 ( -0.307 -5.812 -0.580) 5.849 4.694 ( 2.699 2.994 2.835) 4.928 4.876 ( 1.262 -1.875 -3.151) 3.878 4.980 ( -3.577 -1.693 -1.406) 4.200 5.262 ( 3.806 -7.156 0.700) 8.135 5.331 ( -0.623 -3.055 1.331) 3.390 5.349 ( -8.368 5.066 -1.897) 9.964 5.466 ( 3.307 5.675 7.495) 9.966 5.714 ( 3.558 -1.021 1.411) 3.961 5.771 ( 3.504 -1.512 -3.944) 5.488 5.872 ( -1.145 -1.457 4.407) 4.780 6.126 ( -8.822 -2.567 -6.050) 11.001 7.570 ( 6.025 -0.697 3.682) 7.095 7.680 ( 2.849 0.754 0.867) 3.072 7.825 ( -2.898 0.611 1.120) 3.166 8.095 ( -3.449 4.516 -6.125) 8.355 8.707 ( -0.644 -0.061 -0.133) 0.661 8.807 ( 2.518 -2.277 -1.422) 3.681 8.886 ( 0.460 -2.432 0.259) 2.488 8.953 ( 0.383 1.088 -1.401) 1.815 9.211 ( 1.540 -1.312 8.814) 9.044 9.335 ( -0.347 -8.879 -1.184) 8.965 9.518 ( -0.852 1.229 -1.043) 1.823 9.645 ( -0.679 -4.196 -4.046) 5.869 9.897 ( 2.087 3.839 2.087) 4.843 9.973 ( -1.707 1.562 6.386) 6.793 10.112 ( -1.552 -4.121 -2.695) 5.163 10.428 ( 1.868 -2.665 -0.052) 3.255 11.226 ( 0.571 -1.364 2.540) 2.939 11.291 ( -2.526 1.942 -0.520) 3.228 11.383 ( -2.823 3.289 -0.965) 4.441 11.584 ( 2.056 0.479 0.838) 2.272 11.663 ( -0.305 -0.635 2.403) 2.504 11.756 ( 4.446 3.919 2.727) 6.524 12.163 ( 0.885 7.238 -0.471) 7.307 12.262 ( -1.847 -2.178 -1.487) 3.219 12.347 ( 2.141 0.554 1.054) 2.450 12.501 ( -2.724 -1.311 0.602) 3.082 12.738 ( 1.679 -8.776 -4.426) 9.971 12.878 ( -1.619 -9.012 -2.099) 9.394 13.429 ( -4.381 5.515 -1.418) 7.184 13.589 ( 0.733 2.871 -3.995) 4.974 13.734 ( 1.126 -1.300 6.276) 6.507 13.953 ( -1.206 10.152 1.969) 10.411 14.094 ( 9.746 -9.788 7.308) 15.627 14.532 ( -0.210 1.033 -4.048) 4.183 15.138 ( 1.202 6.178 3.802) 7.353 15.322 ( -2.867 -2.318 -3.263) 4.923 15.431 ( -2.128 4.538 -3.904) 6.353 15.600 ( -5.139 -9.818 0.225) 11.084 15.829 ( -3.781 13.199 0.213) 13.732 15.908 ( 9.915 5.089 4.271) 11.935 16.268 ( 2.546 -4.682 4.111) 6.731 16.823 ( -6.576 -4.927 -8.489) 11.815 17.001 ( -4.731 3.536 -2.621) 6.461 17.146 ( 5.082 -4.502 -2.435) 7.213 17.277 ( -0.039 3.054 0.282) 3.067 17.313 ( -0.458 3.363 0.623) 3.451 19.829 ( 0.741 10.121 -1.368) 10.240 20.111 ( 4.925 8.387 -9.374) 13.508 20.361 ( -3.222 -9.311 3.811) 10.564 20.616 ( 1.862 -12.974 -0.565) 13.120 22.312 ( -2.377 12.695 6.260) 14.352 22.635 ( 1.737 11.000 -2.590) 11.434 22.789 ( -4.138 -7.866 1.211) 8.970 23.080 ( 1.487 -10.284 -2.297) 10.641 27.517 ( 1.105 21.853 1.838) 21.958 28.165 ( -12.217 12.941 -15.027) 23.293 28.481 ( -1.915 -21.861 1.163) 21.975 28.566 ( 9.486 -17.341 -1.311) 19.810 30.651 ( 0.846 6.399 2.232) 6.830 30.815 ( -4.213 3.409 1.411) 5.600 30.959 ( -0.572 9.189 1.253) 9.291 31.121 ( 3.640 3.735 4.356) 6.795 31.273 ( -2.467 -3.418 -1.422) 4.449 31.327 ( 1.940 -11.162 -0.257) 11.332 31.495 ( 8.274 -2.801 1.891) 8.938 32.167 ( 11.682 4.451 -11.048) 16.683 32.706 ( 3.008 8.500 2.379) 9.325 32.953 ( 1.777 11.886 -2.101) 12.200 33.152 ( -2.775 -3.471 1.178) 4.598 33.477 ( 1.586 -10.222 -1.596) 10.467 35.240 ( -1.962 0.726 3.916) 4.439 35.358 ( 0.086 1.620 1.469) 2.188 35.463 ( -2.254 1.506 3.051) 4.081 35.570 ( 2.025 1.417 -3.055) 3.929 35.850 ( -3.956 -2.120 -0.853) 4.569 36.012 ( -10.649 -3.826 12.897) 17.157 37.142 ( -8.471 13.015 -4.729) 16.233 37.534 ( 10.711 -18.277 -0.598) 21.193 ======================= Grid point 96 (43/114) ======================= q-point: ( 0.38 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.680 -0.000 6.223) 6.260 2.033 ( -3.251 0.000 -8.700) 9.287 2.186 ( -1.490 0.000 3.112) 3.450 2.315 ( -1.282 0.000 4.745) 4.915 2.581 ( 15.284 -0.000 -11.303) 19.009 2.607 ( 2.845 -0.000 -6.173) 6.797 2.844 ( 3.641 -0.000 -2.614) 4.482 2.946 ( 0.832 -0.000 -6.019) 6.076 3.100 ( 15.229 -0.000 9.256) 17.821 3.178 ( 4.650 -0.000 -4.301) 6.334 3.214 ( 3.313 -0.000 -4.363) 5.478 3.291 ( 6.732 -0.000 0.844) 6.785 3.620 ( 2.186 -0.000 -1.197) 2.492 3.711 ( -4.489 0.000 0.914) 4.581 3.770 ( -9.690 0.000 4.231) 10.573 4.008 ( -13.529 0.000 -5.445) 14.583 4.036 ( -8.279 0.000 5.006) 9.675 4.194 ( -1.068 0.000 -0.340) 1.121 4.502 ( -1.045 0.000 4.049) 4.182 4.707 ( -2.230 0.000 -6.968) 7.316 4.792 ( 1.780 -0.000 8.537) 8.720 4.828 ( 0.424 -0.000 3.765) 3.789 5.097 ( -3.356 0.000 0.156) 3.360 5.287 ( -4.476 0.000 -2.845) 5.303 5.493 ( 3.893 -0.000 -2.479) 4.615 5.602 ( -6.285 0.000 -2.332) 6.704 5.642 ( 0.935 -0.000 1.578) 1.834 5.828 ( -2.880 0.000 0.711) 2.966 6.156 ( 0.237 -0.000 -0.597) 0.642 6.225 ( 3.729 -0.000 1.538) 4.034 7.764 ( 2.186 -0.000 2.195) 3.098 7.781 ( 6.174 -0.000 0.056) 6.174 7.937 ( 0.900 -0.000 -0.487) 1.023 8.099 ( 1.047 -0.000 0.694) 1.256 8.772 ( -5.543 0.000 -2.453) 6.061 8.801 ( -2.409 0.000 1.229) 2.704 8.987 ( -5.948 0.000 1.332) 6.095 9.141 ( 2.433 -0.000 -0.552) 2.495 9.234 ( -2.967 0.000 -1.009) 3.134 9.350 ( 5.069 -0.000 -3.426) 6.118 9.692 ( 4.267 -0.000 -0.416) 4.287 9.718 ( -1.635 0.000 -2.249) 2.781 9.944 ( -0.200 0.000 2.515) 2.523 10.171 ( 9.328 -0.000 3.217) 9.868 10.363 ( -2.511 0.000 4.066) 4.779 10.633 ( 1.335 -0.000 0.423) 1.400 10.958 ( -3.685 0.000 3.839) 5.321 11.085 ( 0.848 -0.000 -4.818) 4.893 11.610 ( 1.630 -0.000 -4.027) 4.344 11.674 ( -1.561 0.000 -1.273) 2.014 11.813 ( 2.584 -0.000 5.396) 5.983 11.882 ( 2.419 -0.000 5.591) 6.092 12.232 ( -1.768 0.000 -1.504) 2.321 12.258 ( -6.747 0.000 -6.579) 9.424 12.422 ( -1.278 0.000 0.376) 1.332 12.677 ( -4.193 0.000 1.419) 4.427 12.875 ( 5.498 -0.000 0.569) 5.527 12.930 ( 10.670 -0.000 -11.521) 15.702 13.326 ( -1.276 0.000 -0.689) 1.450 13.423 ( 4.998 -0.000 2.772) 5.715 13.559 ( -4.089 0.000 5.000) 6.459 13.683 ( -3.597 0.000 1.019) 3.739 14.246 ( -10.350 0.000 -6.401) 12.169 14.667 ( 0.588 -0.000 -3.513) 3.562 14.688 ( 1.818 -0.000 -1.364) 2.273 14.904 ( 1.501 -0.000 -0.542) 1.596 14.974 ( -5.439 0.000 3.195) 6.308 15.267 ( -0.269 0.000 -1.759) 1.780 15.774 ( 12.095 -0.000 0.285) 12.099 16.180 ( 5.039 -0.000 0.256) 5.045 16.372 ( -7.153 0.000 -0.875) 7.207 16.423 ( -6.413 0.000 0.722) 6.454 16.874 ( 0.955 -0.000 -0.258) 0.989 16.945 ( 0.362 -0.000 -0.199) 0.413 16.993 ( -2.821 0.000 0.161) 2.825 17.446 ( 0.153 -0.000 1.824) 1.830 19.705 ( 3.541 -0.000 -1.967) 4.051 19.904 ( 4.717 -0.000 2.291) 5.244 21.010 ( -0.068 0.000 1.225) 1.227 21.040 ( 0.050 -0.000 0.533) 0.535 21.672 ( -3.469 0.000 1.245) 3.686 22.121 ( 1.552 -0.000 -1.757) 2.344 23.160 ( -1.361 0.000 1.290) 1.875 23.392 ( 1.420 -0.000 -1.222) 1.873 26.834 ( -0.147 0.000 0.136) 0.200 26.841 ( -0.035 0.000 -0.010) 0.036 29.407 ( 0.819 -0.000 -0.847) 1.178 29.622 ( 1.886 -0.000 -0.498) 1.951 29.952 ( -3.828 0.000 -1.692) 4.185 30.425 ( -1.609 0.000 -0.396) 1.657 30.429 ( -2.400 0.000 0.990) 2.596 31.031 ( 1.620 -0.000 -0.971) 1.889 31.123 ( -0.091 0.000 0.996) 1.000 31.751 ( -1.650 0.000 -0.934) 1.896 32.029 ( 2.029 -0.000 0.018) 2.030 32.142 ( 0.717 -0.000 -0.122) 0.727 32.437 ( 0.844 -0.000 -2.491) 2.631 33.192 ( -3.920 0.000 4.093) 5.668 33.637 ( 17.234 -0.000 -17.337) 24.446 33.846 ( 23.273 -0.000 -27.800) 36.256 35.201 ( -1.635 0.000 1.123) 1.984 35.372 ( -0.278 0.000 2.982) 2.995 35.465 ( -1.531 0.000 1.922) 2.457 35.608 ( 0.377 -0.000 -3.585) 3.605 35.741 ( -1.989 0.000 9.436) 9.643 35.742 ( 0.390 -0.000 0.726) 0.824 36.139 ( -30.032 0.000 23.943) 38.408 38.611 ( 3.008 -0.000 0.967) 3.160 ======================= Grid point 97 (44/114) ======================= q-point: (-0.50 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.762 ( -5.494 -0.668 -2.830) 6.216 1.917 ( -3.700 7.864 0.400) 8.700 2.015 ( -1.562 -3.568 -6.720) 7.767 2.427 ( 3.143 -7.063 1.678) 7.911 2.573 ( 4.998 -2.350 -13.855) 14.916 2.786 ( 4.927 4.424 -3.641) 7.556 2.939 ( 1.974 -1.940 -6.966) 7.496 2.971 ( 4.212 -16.492 -1.805) 17.117 3.134 ( 3.543 3.671 -3.963) 6.461 3.176 ( 3.082 3.981 1.842) 5.361 3.270 ( 5.480 -2.311 7.977) 9.950 3.438 ( 8.710 -5.788 -0.134) 10.459 3.636 ( -1.748 3.516 1.370) 4.159 3.659 ( 4.424 -2.347 -4.266) 6.579 3.758 ( -8.828 -2.204 8.914) 12.738 3.930 ( -8.012 -2.594 -1.412) 8.539 4.007 ( -7.838 -1.562 2.716) 8.441 4.177 ( 1.681 1.746 -0.649) 2.509 4.479 ( -2.571 0.600 -0.665) 2.722 4.643 ( -3.278 0.257 -4.784) 5.805 4.774 ( -2.617 3.388 4.046) 5.890 4.897 ( 2.708 -0.302 5.128) 5.807 5.054 ( -1.314 2.134 2.300) 3.402 5.337 ( 2.088 -5.557 0.709) 5.978 5.466 ( -1.508 1.573 -4.704) 5.184 5.541 ( -3.822 0.880 -3.415) 5.201 5.675 ( -0.314 -4.196 -2.296) 4.793 5.827 ( -2.521 -2.027 -1.512) 3.571 6.094 ( 2.513 7.522 1.785) 8.130 6.176 ( -0.103 7.589 1.433) 7.724 7.720 ( 1.312 4.969 0.115) 5.140 7.778 ( -1.601 2.724 -2.150) 3.822 7.925 ( 2.016 3.726 2.501) 4.920 8.150 ( 1.494 -4.464 -0.188) 4.711 8.710 ( -0.786 0.780 1.310) 1.716 8.826 ( 0.487 1.844 1.934) 2.717 8.949 ( -4.504 -2.689 0.760) 5.300 9.127 ( 1.414 2.417 -1.143) 3.025 9.250 ( -0.409 -1.358 0.791) 1.624 9.317 ( 2.245 4.482 -3.277) 5.989 9.645 ( -0.641 2.475 -4.298) 5.001 9.744 ( 1.530 -2.650 -2.689) 4.073 9.923 ( -2.050 3.906 3.167) 5.430 10.185 ( 4.699 7.559 -0.405) 8.910 10.317 ( -4.523 1.895 3.267) 5.892 10.622 ( 0.110 2.475 -0.629) 2.556 10.987 ( -2.855 -3.925 2.587) 5.500 11.109 ( 2.008 -3.954 -2.240) 4.969 11.589 ( -0.095 0.411 -4.336) 4.356 11.640 ( -2.173 0.256 -2.373) 3.228 11.865 ( -1.403 0.296 4.396) 4.624 11.908 ( 1.018 -0.668 1.901) 2.258 12.160 ( 2.316 3.552 -1.543) 4.512 12.263 ( 1.002 -1.427 0.593) 1.841 12.471 ( 1.797 -2.593 2.728) 4.170 12.587 ( -7.203 3.805 -11.201) 13.850 12.796 ( 3.787 9.395 0.878) 10.167 12.870 ( 8.753 8.178 2.216) 12.182 13.243 ( 0.214 0.745 0.910) 1.196 13.526 ( -5.487 2.382 2.164) 6.361 13.652 ( -1.432 -3.508 0.494) 3.821 13.734 ( 1.688 -14.680 2.323) 14.959 14.128 ( 1.006 5.323 -1.102) 5.528 14.741 ( 2.753 -7.779 -5.213) 9.760 14.848 ( -1.083 -11.639 -2.624) 11.981 14.972 ( 0.034 -6.876 1.204) 6.981 15.036 ( -2.204 -8.605 3.727) 9.633 15.206 ( 0.502 2.577 0.203) 2.633 15.946 ( 8.705 -8.789 -1.028) 12.413 16.173 ( 0.298 2.723 -0.890) 2.880 16.264 ( -5.547 4.937 -0.378) 7.436 16.348 ( -2.992 3.796 1.221) 4.986 16.883 ( 1.302 -0.898 -0.503) 1.660 16.990 ( 0.615 -3.720 -0.352) 3.787 17.046 ( -1.440 -6.393 1.034) 6.634 17.442 ( -1.533 0.427 0.325) 1.624 19.772 ( 3.746 -5.126 -0.423) 6.363 19.918 ( 1.563 1.886 1.375) 2.809 20.848 ( -1.432 12.954 1.948) 13.178 21.015 ( 1.099 7.152 -1.086) 7.317 21.765 ( -3.123 -11.720 1.373) 12.206 22.219 ( 1.184 -10.076 -2.305) 10.403 23.083 ( -1.800 7.638 1.672) 8.023 23.359 ( 0.917 3.795 -1.682) 4.251 26.950 ( -0.656 -12.669 0.965) 12.723 26.961 ( 0.579 -12.824 -0.125) 12.837 29.151 ( 1.698 21.297 1.364) 21.408 29.601 ( 0.396 8.552 -3.887) 9.402 30.113 ( -0.160 -18.844 -1.035) 18.873 30.446 ( -0.639 -2.676 2.722) 3.870 30.458 ( -0.284 -3.396 1.232) 3.623 31.068 ( 1.654 -2.451 0.795) 3.062 31.162 ( 0.206 -3.179 1.976) 3.749 31.664 ( -0.921 6.932 -1.296) 7.112 31.882 ( 0.386 12.290 -1.351) 12.370 32.242 ( 0.295 -7.540 -2.448) 7.933 32.549 ( 0.665 -11.499 -2.310) 11.748 33.167 ( -2.919 2.645 4.675) 6.113 33.597 ( 15.482 7.738 -16.497) 23.911 33.745 ( 15.383 10.237 -24.336) 30.556 35.212 ( -1.139 -1.518 1.670) 2.528 35.354 ( -1.170 2.127 2.084) 3.200 35.451 ( -2.495 -0.417 0.604) 2.601 35.618 ( 1.229 -0.872 1.064) 1.844 35.762 ( 0.250 -0.459 3.982) 4.017 35.880 ( -0.497 -6.794 4.745) 8.302 36.105 ( -20.863 -6.578 22.582) 31.440 38.507 ( -0.715 11.437 -3.440) 11.965 ======================= Grid point 98 (45/114) ======================= q-point: (-0.38 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.786 ( -6.317 -12.653 0.677) 14.158 1.911 ( 0.957 -2.521 6.024) 6.600 2.040 ( -1.255 -3.938 -5.819) 7.138 2.556 ( 6.651 -1.473 -7.263) 9.958 2.648 ( -6.511 -9.539 -6.263) 13.138 2.727 ( 7.141 1.821 -4.661) 8.719 2.830 ( -0.568 5.309 -3.878) 6.599 2.982 ( 1.184 8.818 -9.886) 13.300 3.107 ( 0.117 0.229 -2.041) 2.057 3.261 ( 1.800 -6.830 8.142) 10.779 3.425 ( 0.526 -7.019 -0.166) 7.041 3.538 ( 4.562 0.482 -6.120) 7.648 3.614 ( 1.379 1.173 3.197) 3.674 3.704 ( 4.506 0.077 -5.848) 7.383 3.791 ( -3.737 -3.900 2.114) 5.800 3.932 ( -2.878 0.403 9.543) 9.976 4.012 ( -6.459 -3.768 -0.679) 7.508 4.162 ( 3.802 1.434 -0.431) 4.086 4.462 ( -4.007 -1.087 -0.599) 4.195 4.621 ( -2.117 -3.361 -2.621) 4.759 4.734 ( -1.945 -0.369 1.421) 2.437 4.930 ( 6.516 2.800 6.668) 9.735 5.026 ( -2.222 1.646 0.829) 2.887 5.378 ( -3.912 3.155 -0.522) 5.053 5.466 ( 2.979 -3.186 1.252) 4.538 5.504 ( 0.598 -3.111 -4.746) 5.706 5.759 ( -1.933 -8.156 -5.010) 9.765 5.835 ( -1.466 -2.086 -2.991) 3.931 5.944 ( 0.820 12.297 1.457) 12.410 6.037 ( -0.861 8.104 5.240) 9.689 7.630 ( 0.640 4.783 0.402) 4.842 7.722 ( 0.182 2.066 -0.100) 2.076 7.882 ( 3.133 3.965 3.233) 5.999 8.201 ( -4.918 -2.680 -3.096) 6.400 8.722 ( -1.430 -0.836 0.653) 1.780 8.798 ( 4.274 3.214 5.651) 7.780 9.011 ( -2.731 -3.609 -0.941) 4.623 9.090 ( 2.364 1.462 -0.123) 2.782 9.183 ( -0.389 7.859 -2.268) 8.189 9.264 ( 0.824 1.248 0.483) 1.572 9.615 ( 3.276 -1.209 -2.913) 4.548 9.784 ( 2.200 -1.718 -4.082) 4.945 9.801 ( -7.609 6.438 0.229) 9.970 10.008 ( -1.532 9.069 -1.559) 9.329 10.285 ( -1.274 3.408 3.115) 4.789 10.530 ( -0.486 5.292 -3.505) 6.366 11.075 ( -1.108 -5.674 2.501) 6.299 11.213 ( 1.702 -5.989 0.264) 6.231 11.532 ( -1.312 3.700 -0.274) 3.935 11.630 ( -2.795 -2.528 -2.555) 4.553 11.783 ( -5.491 3.452 -4.369) 7.820 11.976 ( 6.504 2.264 3.621) 7.780 12.121 ( 1.795 1.196 -1.547) 2.654 12.283 ( 0.653 0.759 1.361) 1.689 12.379 ( -6.283 2.109 -11.721) 13.465 12.510 ( -0.291 0.538 0.451) 0.760 12.703 ( 5.118 5.841 3.071) 8.352 12.854 ( 3.993 4.295 5.332) 7.926 13.308 ( 2.617 -4.775 2.523) 6.001 13.473 ( -1.314 0.175 3.989) 4.204 13.701 ( -1.218 -3.622 1.406) 4.072 13.851 ( -9.447 -2.223 -9.237) 13.398 14.203 ( 14.064 -5.181 8.217) 17.093 14.715 ( -0.792 9.872 -4.049) 10.699 14.974 ( -0.863 -5.391 -1.957) 5.800 15.100 ( -1.005 -9.818 3.401) 10.439 15.257 ( -0.021 -11.377 -0.819) 11.407 15.331 ( 2.554 -11.134 3.596) 11.976 16.019 ( -9.091 5.345 -3.340) 11.062 16.129 ( 9.219 -0.224 -1.565) 9.354 16.271 ( 3.025 -5.045 1.155) 5.995 16.288 ( -3.567 -2.006 2.157) 4.626 16.926 ( 2.568 -2.218 0.179) 3.398 17.040 ( -1.325 -2.476 -1.270) 3.082 17.178 ( 0.924 -6.781 1.918) 7.108 17.417 ( -2.021 0.715 -0.086) 2.145 19.906 ( -0.352 -0.298 0.835) 0.954 19.927 ( 3.776 -9.022 -0.231) 9.783 20.597 ( -2.029 14.732 1.905) 14.993 20.833 ( 1.352 12.096 -2.374) 12.401 22.006 ( -2.783 -16.173 1.205) 16.455 22.426 ( 1.355 -13.097 -2.666) 13.434 22.914 ( -2.543 10.200 2.545) 10.816 23.255 ( 0.679 7.387 -2.131) 7.718 27.247 ( -1.806 -20.194 1.693) 20.346 27.274 ( 3.078 -19.965 1.223) 20.238 28.781 ( 2.167 23.403 2.601) 23.647 29.328 ( -2.079 16.724 -7.414) 18.412 30.457 ( 1.649 -15.291 1.078) 15.418 30.536 ( -1.162 -7.124 2.451) 7.623 30.578 ( 3.764 -9.102 3.101) 10.326 31.140 ( 2.422 -2.794 2.361) 4.387 31.237 ( -1.151 -3.630 2.383) 4.492 31.508 ( -0.417 8.788 -0.960) 8.850 31.643 ( 0.367 13.439 -2.393) 13.655 32.345 ( 0.517 -6.109 -7.443) 9.643 32.766 ( -0.263 -13.302 -2.126) 13.473 33.110 ( -1.436 4.743 4.382) 6.615 33.380 ( 13.815 15.670 -22.199) 30.482 33.550 ( 2.211 8.284 -6.689) 10.875 35.242 ( -1.459 -0.993 2.754) 3.271 35.339 ( -0.561 -0.522 1.289) 1.500 35.453 ( -3.022 -1.607 0.387) 3.445 35.641 ( 1.619 0.571 1.610) 2.354 35.797 ( -1.285 -0.521 6.070) 6.226 35.911 ( -9.913 0.345 10.148) 14.191 36.383 ( 1.012 -19.005 10.193) 21.589 38.193 ( -2.141 18.269 -7.955) 20.041 ======================= Grid point 99 (46/114) ======================= q-point: (-0.25 -0.62 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.965 ( 4.315 -3.518 8.154) 9.873 2.051 ( -7.352 -3.649 1.267) 8.306 2.164 ( 2.556 -16.326 -0.604) 16.536 2.443 ( -2.981 4.968 -6.805) 8.938 2.562 ( 1.267 11.101 -0.313) 11.177 2.797 ( 7.862 0.084 -4.796) 9.210 2.819 ( 9.101 0.010 -4.511) 10.158 2.878 ( -11.517 -6.434 2.342) 13.399 3.118 ( 0.215 -4.616 -6.180) 7.716 3.395 ( 0.986 2.875 13.549) 13.885 3.473 ( -1.569 0.250 -2.952) 3.352 3.502 ( -2.213 5.746 -4.789) 7.801 3.548 ( 0.819 1.044 -7.335) 7.454 3.605 ( 2.594 -1.289 -17.134) 17.378 3.854 ( -4.080 -3.123 0.888) 5.215 3.992 ( -2.383 -1.390 9.767) 10.149 4.017 ( 3.300 0.432 -0.622) 3.386 4.193 ( -0.136 -3.198 0.984) 3.348 4.446 ( -0.500 -0.348 -1.105) 1.262 4.698 ( -1.871 -7.176 -2.356) 7.781 4.771 ( 1.935 -2.262 1.171) 3.199 4.943 ( -1.748 4.779 0.626) 5.127 5.020 ( 8.108 -1.686 5.639) 10.019 5.336 ( -2.028 0.284 2.775) 3.449 5.437 ( -6.016 0.636 -4.294) 7.419 5.627 ( 6.164 -4.665 1.020) 7.797 5.748 ( 0.340 10.110 2.309) 10.376 5.812 ( 0.643 -0.487 -3.062) 3.167 5.890 ( -2.036 -4.688 0.453) 5.131 5.931 ( -3.936 2.594 1.497) 4.946 7.593 ( 4.273 2.373 2.691) 5.580 7.705 ( 0.931 0.685 1.198) 1.664 7.876 ( 3.497 2.584 3.765) 5.752 8.143 ( -9.762 -0.704 -5.907) 11.431 8.740 ( -0.199 -1.515 2.638) 3.048 8.820 ( 3.577 1.720 3.265) 5.140 8.952 ( -2.113 6.249 -1.914) 6.868 9.040 ( -1.086 4.633 -0.810) 4.827 9.109 ( 0.673 -1.744 -2.853) 3.411 9.274 ( 3.057 0.413 1.857) 3.600 9.593 ( -6.084 5.372 -0.988) 8.176 9.660 ( 1.105 4.160 -3.519) 5.560 9.813 ( 5.705 -3.806 -1.360) 6.992 9.933 ( -3.684 -3.474 -1.730) 5.351 10.180 ( -2.698 7.391 2.514) 8.259 10.448 ( 1.188 2.381 -1.980) 3.317 11.171 ( 0.045 -3.307 3.135) 4.557 11.318 ( 0.355 -3.352 0.266) 3.381 11.461 ( -2.203 2.664 3.230) 4.731 11.621 ( -2.211 1.896 -2.050) 3.562 11.675 ( -4.716 0.027 -2.624) 5.397 11.900 ( 5.225 6.755 -5.389) 10.098 12.170 ( -1.075 -4.553 0.011) 4.678 12.253 ( 0.318 1.026 -3.815) 3.963 12.355 ( -3.373 -4.814 0.615) 5.910 12.492 ( -1.005 0.356 -1.436) 1.789 12.672 ( 4.308 3.838 2.005) 6.109 12.775 ( 1.481 8.246 1.875) 8.586 13.441 ( 1.732 -6.226 5.404) 8.424 13.543 ( 0.573 -2.473 0.748) 2.646 13.740 ( -3.500 0.657 -6.458) 7.375 13.799 ( 1.752 -5.971 2.205) 6.602 14.405 ( 8.648 6.815 2.846) 11.373 14.478 ( -4.154 2.382 0.950) 4.882 15.075 ( 1.022 -7.087 -1.232) 7.265 15.242 ( -1.927 -4.981 3.105) 6.178 15.368 ( 1.169 -1.836 -1.658) 2.736 15.537 ( 1.139 -5.115 0.448) 5.259 15.856 ( -7.598 0.135 0.021) 7.599 16.141 ( -0.045 3.102 -0.402) 3.128 16.313 ( 11.568 2.882 5.471) 13.118 16.465 ( -4.125 -13.368 -5.183) 14.919 16.988 ( 1.372 -2.493 0.853) 2.970 17.055 ( -0.151 -1.535 -2.504) 2.941 17.287 ( 0.862 -2.898 2.230) 3.757 17.390 ( -1.489 1.085 0.717) 1.977 19.955 ( -0.758 -5.401 1.075) 5.559 20.116 ( 3.499 -7.593 -2.473) 8.719 20.347 ( -1.752 10.998 2.871) 11.501 20.607 ( 1.241 12.509 -3.594) 13.074 22.276 ( -2.829 -15.722 0.624) 15.986 22.656 ( 2.214 -12.676 -2.952) 13.202 22.734 ( -2.738 9.666 4.216) 10.895 23.092 ( 0.932 10.161 -2.095) 10.417 27.620 ( -3.659 -22.882 1.058) 23.197 27.696 ( 7.520 -21.187 3.407) 22.739 28.391 ( 2.417 24.377 3.341) 24.723 28.927 ( -5.760 18.963 -10.949) 22.641 30.639 ( 0.299 -6.822 4.308) 8.074 30.699 ( 0.885 -7.297 4.008) 8.372 30.853 ( 3.385 -13.808 -1.094) 14.259 31.215 ( 2.206 -0.056 3.092) 3.799 31.275 ( -3.403 -0.597 2.155) 4.072 31.386 ( 1.470 5.528 0.735) 5.767 31.404 ( 3.559 9.708 -2.978) 10.760 32.343 ( 1.501 0.962 -14.909) 15.015 32.912 ( -2.934 -1.427 -1.633) 3.648 33.077 ( 1.104 -3.446 -0.793) 3.704 33.149 ( 2.413 5.234 -5.282) 7.818 33.383 ( 2.274 9.660 -3.174) 10.420 35.252 ( -2.183 -0.061 3.332) 3.984 35.367 ( -0.175 -1.279 1.545) 2.014 35.461 ( -2.547 -1.453 0.213) 2.940 35.639 ( 1.942 1.739 0.110) 2.609 35.822 ( -3.042 0.088 6.671) 7.332 35.897 ( -9.223 -1.088 10.481) 14.003 36.815 ( 8.155 -20.377 4.533) 22.411 37.781 ( -2.385 19.802 -10.373) 22.481 ======================= Grid point 100 (47/114) ======================= q-point: (-0.12 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.990 ( 0.588 9.348 4.314) 10.312 2.090 ( 11.680 5.161 6.279) 14.229 2.181 ( -4.543 2.132 -3.175) 5.938 2.389 ( 4.032 7.395 -0.580) 8.443 2.506 ( -4.766 -4.345 -1.800) 6.696 2.742 ( 2.373 6.605 1.339) 7.145 2.913 ( 3.849 -6.177 -5.969) 9.413 2.955 ( -5.532 -5.651 1.800) 8.110 3.157 ( 0.432 -2.835 -5.230) 5.964 3.312 ( 1.015 4.441 -3.823) 5.947 3.374 ( 3.738 3.514 5.267) 7.353 3.449 ( 1.426 -0.070 -0.539) 1.526 3.502 ( 2.644 -0.859 -1.678) 3.247 3.695 ( 0.164 -5.887 -6.974) 9.128 3.854 ( -11.107 -5.655 -1.989) 12.622 4.006 ( -0.456 2.050 3.927) 4.453 4.067 ( 9.335 2.605 6.274) 11.545 4.239 ( -5.011 -3.703 -3.392) 7.094 4.451 ( 0.451 -0.515 -0.290) 0.744 4.758 ( -4.891 -3.183 -1.313) 5.982 4.837 ( 2.895 -0.917 -0.521) 3.082 4.882 ( -0.819 -1.682 -3.759) 4.199 5.158 ( 5.248 -3.059 4.288) 7.435 5.315 ( -2.831 1.190 1.149) 3.279 5.347 ( -6.698 1.365 -0.909) 6.896 5.631 ( 2.837 5.757 2.227) 6.793 5.739 ( 5.252 -2.089 0.459) 5.671 5.800 ( 4.262 2.569 -0.036) 4.977 5.857 ( -4.219 -0.042 3.373) 5.402 5.969 ( -5.981 -4.465 -2.416) 7.846 7.631 ( 5.848 0.331 3.081) 6.619 7.724 ( 3.219 -0.295 1.981) 3.791 7.841 ( -3.940 3.522 0.273) 5.292 8.053 ( -5.159 -0.056 -5.164) 7.300 8.759 ( 0.459 3.463 0.609) 3.546 8.811 ( 2.193 1.262 0.145) 2.535 8.861 ( 0.080 -0.259 0.778) 0.824 8.971 ( -0.287 2.371 -1.910) 3.058 9.165 ( 0.583 -5.947 -2.170) 6.357 9.279 ( 0.147 1.315 1.968) 2.372 9.517 ( -1.656 -2.527 -1.522) 3.383 9.574 ( -0.631 3.256 1.502) 3.641 9.944 ( 5.195 -3.095 0.952) 6.122 9.986 ( -2.645 -5.998 -3.815) 7.584 10.066 ( -1.270 5.665 5.086) 7.718 10.417 ( -0.087 0.427 -2.079) 2.124 11.224 ( 0.005 -0.871 2.826) 2.957 11.315 ( -0.988 1.476 0.285) 1.798 11.421 ( -2.747 3.143 1.279) 4.366 11.594 ( -0.445 0.133 -1.350) 1.428 11.645 ( -1.511 -1.755 1.753) 2.904 11.846 ( 4.609 1.140 -1.836) 5.090 12.206 ( 0.463 -0.283 -2.553) 2.610 12.237 ( 1.197 0.358 -2.572) 2.859 12.416 ( -2.539 1.461 0.866) 3.055 12.454 ( -1.856 -1.959 2.373) 3.593 12.640 ( 2.275 0.923 -1.805) 3.047 12.736 ( 0.153 -3.233 -0.047) 3.237 13.483 ( -3.560 4.763 -1.853) 6.228 13.593 ( 2.879 -2.507 0.716) 3.884 13.716 ( -0.755 -3.283 1.163) 3.564 13.994 ( 5.718 -9.724 1.615) 11.395 14.170 ( -4.746 12.139 2.236) 13.224 14.537 ( 3.503 0.976 -1.804) 4.060 15.187 ( -0.217 -2.560 2.130) 3.337 15.331 ( 4.008 -2.013 3.148) 5.479 15.369 ( -5.086 -3.117 -1.905) 6.262 15.473 ( -3.100 2.866 -3.625) 5.565 15.961 ( 0.499 -4.226 4.278) 6.034 16.008 ( -2.112 7.011 -0.456) 7.336 16.364 ( 10.291 4.539 4.964) 12.294 16.591 ( -6.247 -8.869 -7.985) 13.470 17.003 ( -2.971 0.918 -1.662) 3.526 17.099 ( 4.077 -3.400 -0.395) 5.323 17.305 ( -2.067 1.534 -0.563) 2.635 17.369 ( 0.723 1.393 2.662) 3.091 20.020 ( 0.875 10.364 -1.735) 10.544 20.098 ( 0.500 -7.444 -0.297) 7.467 20.361 ( 0.016 6.773 -2.560) 7.241 20.427 ( 1.864 -6.508 -0.118) 6.771 22.495 ( -2.159 -6.141 1.978) 6.804 22.566 ( -2.948 4.886 2.848) 6.377 22.881 ( 1.196 -8.988 -2.246) 9.341 22.900 ( 1.919 8.323 -1.214) 8.628 27.904 ( 0.244 8.018 1.658) 8.191 28.071 ( -2.772 -12.847 0.780) 13.166 28.134 ( 4.861 -5.910 2.123) 7.942 28.513 ( -1.951 10.453 -9.702) 14.395 30.750 ( -0.374 1.638 4.573) 4.872 30.785 ( -2.530 -3.538 1.857) 4.729 31.084 ( 1.905 -8.859 -0.229) 9.065 31.138 ( 1.410 6.615 -0.186) 6.766 31.227 ( 0.100 3.657 0.853) 3.757 31.259 ( -3.889 0.662 0.509) 3.978 31.499 ( 7.267 -3.966 -1.162) 8.360 32.226 ( 6.304 2.239 -13.228) 14.824 32.846 ( -0.433 4.269 1.364) 4.502 33.077 ( 0.762 -0.159 -1.696) 1.866 33.164 ( -0.601 7.004 -1.352) 7.158 33.303 ( 1.298 -7.328 -0.278) 7.448 35.253 ( -2.453 0.182 3.840) 4.560 35.381 ( -1.183 0.230 1.664) 2.055 35.467 ( -0.948 -0.595 0.220) 1.141 35.613 ( 2.261 2.487 -1.037) 3.517 35.819 ( -3.555 0.817 4.748) 5.987 35.931 ( -9.660 -3.547 11.078) 15.120 37.236 ( 7.163 -12.362 -1.000) 14.322 37.382 ( -0.762 11.056 -7.637) 13.459 ======================= Grid point 105 (48/114) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.690 ( -9.833 0.000 -3.591) 10.468 1.805 ( -17.542 0.000 -17.943) 25.093 1.906 ( 2.018 -0.000 -12.763) 12.922 2.473 ( 4.951 -0.000 -11.660) 12.667 2.585 ( 2.064 -0.000 -4.358) 4.822 2.714 ( 6.663 -0.000 8.429) 10.745 2.818 ( -7.066 0.000 -8.735) 11.235 2.897 ( 3.603 -0.000 -1.904) 4.075 3.206 ( 7.144 -0.000 -0.000) 7.144 3.332 ( 8.504 -0.000 4.274) 9.518 3.333 ( 1.669 -0.000 4.601) 4.894 3.438 ( 10.317 -0.000 2.819) 10.695 3.615 ( -0.624 0.000 -2.815) 2.883 3.637 ( -5.079 0.000 -0.702) 5.128 3.806 ( 0.909 -0.000 16.505) 16.530 3.841 ( -0.268 0.000 -2.245) 2.261 3.944 ( -9.446 0.000 2.957) 9.898 4.206 ( 1.777 -0.000 -0.118) 1.781 4.444 ( -5.178 0.000 -0.276) 5.186 4.611 ( 0.832 -0.000 -4.982) 5.051 4.842 ( -5.895 0.000 2.878) 6.560 4.858 ( 0.436 -0.000 0.043) 0.438 5.088 ( 0.347 -0.000 0.639) 0.727 5.350 ( 7.875 -0.000 7.887) 11.146 5.446 ( -2.821 0.000 -8.489) 8.946 5.463 ( -3.809 0.000 -5.755) 6.902 5.633 ( -0.666 0.000 -2.202) 2.301 5.781 ( -1.947 0.000 -1.636) 2.543 6.192 ( 2.449 -0.000 1.903) 3.101 6.236 ( -2.433 0.000 -1.223) 2.723 7.737 ( -4.764 0.000 -2.771) 5.511 7.776 ( -3.459 0.000 -2.658) 4.362 8.018 ( 4.698 -0.000 4.153) 6.270 8.101 ( -0.413 0.000 0.320) 0.523 8.774 ( -1.993 0.000 -0.188) 2.001 8.787 ( 6.282 -0.000 4.328) 7.629 8.943 ( -1.791 0.000 0.307) 1.817 9.142 ( 0.454 -0.000 -2.069) 2.119 9.260 ( 2.864 -0.000 2.867) 4.053 9.339 ( 0.387 -0.000 -6.081) 6.094 9.615 ( -4.308 0.000 -8.148) 9.217 9.702 ( 0.421 -0.000 -2.316) 2.354 9.987 ( -0.420 0.000 4.854) 4.872 10.283 ( -9.838 0.000 0.459) 9.849 10.302 ( 4.148 -0.000 2.596) 4.893 10.636 ( -0.609 0.000 -0.706) 0.933 10.935 ( -3.870 0.000 2.258) 4.480 11.086 ( 4.954 -0.000 -2.651) 5.619 11.539 ( -1.017 0.000 -7.730) 7.797 11.617 ( -1.332 0.000 -3.326) 3.583 11.862 ( -5.205 0.000 -0.949) 5.291 11.917 ( -1.240 0.000 8.801) 8.888 12.255 ( 4.278 -0.000 2.514) 4.961 12.271 ( 8.350 -0.000 3.747) 9.152 12.496 ( 3.438 -0.000 5.020) 6.084 12.511 ( -6.929 0.000 -11.969) 13.830 12.942 ( 0.732 -0.000 2.059) 2.185 13.013 ( 9.914 -0.000 -4.865) 11.043 13.299 ( -1.084 0.000 -0.911) 1.416 13.416 ( -5.362 0.000 -2.514) 5.922 13.558 ( -3.107 0.000 4.692) 5.627 13.709 ( 0.246 -0.000 3.335) 3.344 14.237 ( 12.967 -0.000 5.981) 14.280 14.644 ( 1.289 -0.000 -3.524) 3.752 14.687 ( 0.582 -0.000 -1.865) 1.954 14.938 ( 1.849 -0.000 1.301) 2.261 14.954 ( -1.772 0.000 3.125) 3.592 15.246 ( 0.596 -0.000 -2.566) 2.634 15.877 ( -0.287 0.000 -0.071) 0.295 16.211 ( -0.409 0.000 -1.582) 1.634 16.302 ( 0.815 -0.000 -0.565) 0.991 16.358 ( -1.963 0.000 0.062) 1.964 16.887 ( 0.764 -0.000 0.079) 0.768 16.949 ( 0.437 -0.000 -0.778) 0.892 16.984 ( 0.168 -0.000 2.120) 2.127 17.422 ( -3.313 0.000 -1.626) 3.691 19.758 ( 3.708 -0.000 1.297) 3.928 19.940 ( -2.371 0.000 0.702) 2.473 21.010 ( -1.280 0.000 0.626) 1.425 21.054 ( 0.199 -0.000 1.478) 1.491 21.637 ( -2.261 0.000 0.404) 2.296 22.112 ( 0.784 -0.000 -2.913) 3.016 23.152 ( -1.257 0.000 0.959) 1.581 23.387 ( 0.458 -0.000 -2.066) 2.116 26.834 ( -0.050 0.000 0.207) 0.213 26.842 ( 0.073 -0.000 0.114) 0.136 29.462 ( 2.681 -0.000 3.318) 4.266 29.596 ( -1.754 0.000 -3.638) 4.039 29.915 ( 1.890 -0.000 0.714) 2.020 30.442 ( 0.838 -0.000 2.918) 3.036 30.443 ( 2.132 -0.000 2.385) 3.199 31.070 ( 2.699 -0.000 1.878) 3.288 31.145 ( 0.264 -0.000 2.294) 2.309 31.711 ( -0.729 0.000 -3.360) 3.438 32.025 ( -1.328 0.000 -1.711) 2.166 32.133 ( -0.822 0.000 -1.314) 1.549 32.414 ( 0.674 -0.000 -3.379) 3.446 33.201 ( -1.694 0.000 4.997) 5.276 33.671 ( 8.183 -0.000 -9.285) 12.376 33.826 ( 25.469 -0.000 -43.192) 50.142 35.197 ( -0.916 0.000 1.515) 1.770 35.381 ( -2.452 0.000 1.589) 2.922 35.451 ( 0.016 -0.000 -1.306) 1.306 35.582 ( 2.028 -0.000 -3.202) 3.790 35.802 ( 2.953 -0.000 4.465) 5.353 35.835 ( -3.596 0.000 10.070) 10.693 36.053 ( -21.578 0.000 35.281) 41.357 38.560 ( -5.098 0.000 -6.781) 8.483 ======================= Grid point 106 (49/114) ======================= q-point: (-0.38 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( -14.853 -4.857 -7.989) 17.551 1.742 ( -16.398 -11.285 -6.455) 20.926 1.922 ( 6.541 -5.238 -12.418) 14.980 2.413 ( -0.651 -2.913 -11.330) 11.716 2.516 ( 4.457 -0.182 -7.003) 8.303 2.723 ( -12.743 -0.934 -8.495) 15.343 2.871 ( 3.385 0.881 -2.738) 4.442 2.919 ( -2.080 -5.163 -7.378) 9.242 3.215 ( 5.513 6.423 1.228) 8.553 3.303 ( 0.133 3.779 1.897) 4.230 3.377 ( 4.802 -0.441 11.804) 12.751 3.575 ( 7.360 -0.412 -2.802) 7.886 3.586 ( -1.471 -2.133 -4.147) 4.890 3.680 ( -2.765 -4.839 3.966) 6.841 3.814 ( 3.069 4.064 3.685) 6.286 3.926 ( 3.119 -3.064 0.334) 4.385 3.968 ( -2.216 -2.681 18.744) 19.064 4.209 ( 1.829 0.576 -0.295) 1.940 4.432 ( -1.561 -0.807 2.469) 3.030 4.585 ( 1.610 2.055 -2.092) 3.345 4.745 ( -1.712 2.092 1.125) 2.929 4.949 ( 0.563 -5.395 -0.398) 5.439 5.051 ( -0.723 3.214 -2.612) 4.204 5.363 ( -3.882 -0.269 -7.111) 8.106 5.414 ( -4.347 -0.471 -5.378) 6.931 5.485 ( 8.380 -2.284 7.140) 11.244 5.642 ( 1.189 -2.511 -2.315) 3.617 5.773 ( -1.088 -1.595 -2.956) 3.531 6.124 ( -3.298 7.747 -1.132) 8.495 6.177 ( 0.787 4.799 2.246) 5.356 7.675 ( -1.995 1.224 -1.717) 2.903 7.729 ( -3.505 0.485 -1.456) 3.826 8.014 ( 4.299 4.434 3.760) 7.230 8.115 ( -5.553 -1.087 -0.341) 5.669 8.724 ( -0.587 1.696 0.077) 1.796 8.903 ( 0.949 2.748 2.686) 3.958 8.942 ( 5.790 -4.533 1.199) 7.450 9.134 ( 1.851 0.628 -0.623) 2.051 9.262 ( -0.920 3.651 -2.921) 4.766 9.276 ( -0.416 1.227 -4.097) 4.297 9.561 ( -1.684 -2.925 -6.846) 7.633 9.711 ( 0.354 -1.814 -1.690) 2.505 9.928 ( -3.195 7.853 3.719) 9.258 10.153 ( -4.858 7.993 -0.629) 9.375 10.321 ( 0.164 0.913 3.627) 3.743 10.593 ( -1.073 3.989 -2.076) 4.623 10.969 ( -2.345 -5.400 1.758) 6.144 11.152 ( 5.454 -3.607 -0.434) 6.554 11.518 ( -0.753 -2.883 -6.536) 7.183 11.577 ( -2.007 1.458 -2.091) 3.244 11.793 ( -4.885 3.135 -0.641) 5.840 11.970 ( -2.292 -2.724 6.122) 7.082 12.274 ( 1.886 9.092 -4.684) 10.400 12.306 ( 0.825 1.620 -3.274) 3.745 12.346 ( 1.280 2.496 -0.585) 2.865 12.529 ( -0.084 0.994 0.566) 1.147 12.870 ( 3.442 6.529 3.019) 7.974 13.009 ( 6.399 5.829 0.823) 8.695 13.276 ( 2.750 -2.868 2.076) 4.483 13.428 ( -6.715 -3.241 -1.623) 7.631 13.621 ( -2.947 -5.542 0.042) 6.277 13.721 ( -1.416 -0.442 0.463) 1.554 14.360 ( 14.540 3.555 9.866) 17.927 14.702 ( 1.161 -4.606 -7.452) 8.837 14.827 ( -0.457 -11.416 1.810) 11.568 14.981 ( -1.041 -6.167 1.083) 6.347 15.090 ( 6.123 -8.120 2.537) 10.481 15.226 ( 1.091 -2.450 0.801) 2.799 15.940 ( -6.881 -8.035 -0.643) 10.598 16.107 ( -2.963 5.812 -3.748) 7.523 16.286 ( 4.361 4.202 -0.504) 6.077 16.362 ( 3.833 -0.541 2.294) 4.499 16.909 ( 1.573 -1.809 0.558) 2.461 16.981 ( 0.098 -2.576 -1.287) 2.881 17.070 ( 1.249 -6.924 2.854) 7.592 17.386 ( -3.988 -0.760 -2.704) 4.878 19.836 ( 3.403 -4.557 1.485) 5.878 19.902 ( -4.464 0.758 0.038) 4.528 20.842 ( -2.071 13.114 1.754) 13.392 21.021 ( 1.107 7.729 -0.705) 7.840 21.736 ( -2.375 -11.796 1.009) 12.075 22.203 ( 0.846 -10.427 -3.195) 10.938 23.071 ( -1.823 7.827 1.257) 8.135 23.345 ( 0.567 3.735 -2.341) 4.444 26.944 ( -1.143 -12.142 0.520) 12.207 26.991 ( 2.840 -15.241 1.133) 15.545 29.214 ( 1.823 21.290 3.296) 21.620 29.511 ( -3.593 9.647 -6.291) 12.065 30.175 ( 4.529 -18.299 6.192) 19.842 30.484 ( 1.511 -1.832 2.880) 3.732 30.515 ( 3.818 -4.057 2.837) 6.252 31.127 ( 2.643 -2.306 3.184) 4.737 31.184 ( 0.032 -2.548 1.826) 3.135 31.625 ( -0.794 5.973 -3.964) 7.212 31.856 ( -1.113 11.829 -2.068) 12.060 32.192 ( -1.238 -6.118 -5.265) 8.166 32.524 ( -0.215 -11.604 -2.484) 11.869 33.196 ( -0.392 2.769 4.494) 5.293 33.600 ( 18.747 13.422 -39.133) 45.420 33.649 ( 5.145 5.155 -11.490) 13.603 35.217 ( -1.121 -1.795 1.695) 2.711 35.350 ( -2.565 1.495 1.773) 3.457 35.416 ( -0.650 0.383 -1.584) 1.755 35.643 ( 2.629 -2.755 -1.204) 3.994 35.825 ( -1.839 0.526 5.990) 6.288 35.897 ( -3.530 -2.098 7.854) 8.863 36.214 ( -8.443 -9.407 35.532) 37.714 38.368 ( -6.396 10.434 -10.639) 16.216 ======================= Grid point 107 (50/114) ======================= q-point: (-0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -13.608 -19.378 -0.797) 23.692 1.844 ( -12.965 -15.627 3.403) 20.588 2.037 ( 9.153 -7.522 -7.143) 13.834 2.369 ( -13.008 -2.037 -16.974) 21.482 2.562 ( -5.983 -1.446 2.939) 6.821 2.646 ( 0.198 -8.684 -10.887) 13.928 2.849 ( 1.265 1.347 -1.612) 2.452 2.907 ( 0.732 -3.927 -9.845) 10.625 3.109 ( 3.910 7.919 -1.122) 8.903 3.297 ( 0.542 -3.178 -1.193) 3.438 3.424 ( -0.977 -0.235 -2.530) 2.723 3.527 ( -1.397 3.074 -5.186) 6.189 3.617 ( 4.319 6.282 1.078) 7.699 3.731 ( -6.460 -1.809 0.048) 6.709 3.750 ( 2.743 3.203 3.362) 5.393 4.014 ( 5.662 0.234 5.483) 7.885 4.113 ( 2.475 -0.932 14.179) 14.423 4.205 ( 2.577 2.450 1.857) 4.011 4.461 ( 4.464 0.324 2.832) 5.296 4.561 ( -2.732 -1.818 -1.888) 3.786 4.788 ( 5.648 -1.634 4.020) 7.123 4.965 ( -1.523 2.417 -5.541) 6.234 5.055 ( 3.548 -5.314 2.014) 6.700 5.317 ( -3.626 -1.051 -3.848) 5.391 5.372 ( -3.514 -0.905 -3.604) 5.115 5.612 ( 5.641 -2.611 2.792) 6.814 5.709 ( 1.148 -4.659 -2.556) 5.437 5.785 ( -0.563 -2.503 -2.850) 3.834 5.939 ( -3.217 8.874 2.019) 9.652 6.083 ( 0.250 7.886 3.941) 8.819 7.658 ( 2.166 0.603 0.604) 2.328 7.705 ( -1.196 -0.580 0.077) 1.331 7.997 ( 2.196 4.758 3.902) 6.534 8.038 ( -8.628 0.183 -2.375) 8.951 8.717 ( -0.671 -1.155 1.730) 2.185 8.888 ( 0.177 0.783 2.573) 2.695 8.992 ( 0.062 1.703 -0.367) 1.744 9.110 ( -1.399 5.361 -0.612) 5.574 9.147 ( 2.243 4.848 -4.009) 6.679 9.261 ( 1.855 -2.736 -5.330) 6.272 9.615 ( 0.670 -5.254 -5.366) 7.540 9.724 ( -2.942 7.637 6.786) 10.632 9.780 ( 2.248 -1.025 -4.475) 5.112 9.956 ( -2.352 9.659 0.475) 9.953 10.284 ( -2.864 4.895 2.421) 6.167 10.489 ( -0.151 4.032 -2.390) 4.690 11.097 ( 0.519 -7.347 2.740) 7.859 11.260 ( 2.657 -3.835 1.291) 4.841 11.515 ( -2.272 2.945 1.213) 3.913 11.548 ( -1.206 -4.205 -4.640) 6.377 11.681 ( -3.936 4.127 -1.581) 5.918 11.958 ( -8.571 6.726 -8.471) 13.801 12.069 ( -2.344 -4.752 -2.902) 6.041 12.313 ( 7.867 5.004 0.505) 9.337 12.330 ( -0.185 0.718 4.022) 4.089 12.481 ( -2.221 1.472 -2.436) 3.610 12.827 ( 5.847 5.736 3.534) 8.920 12.937 ( 2.044 7.337 1.305) 7.728 13.404 ( 1.925 -4.543 5.770) 7.592 13.467 ( -0.083 -5.796 -1.173) 5.915 13.653 ( -3.983 -1.939 -5.872) 7.356 13.737 ( 1.538 -3.175 2.407) 4.271 14.468 ( 6.420 -1.103 6.121) 8.939 14.588 ( -6.834 7.528 -7.588) 12.687 14.984 ( 1.427 -5.740 1.976) 6.236 15.140 ( 1.144 -6.921 2.766) 7.541 15.283 ( 5.548 -8.281 -0.531) 9.982 15.431 ( 5.042 -10.985 4.333) 12.840 15.851 ( -8.290 6.427 -2.076) 10.694 16.133 ( -6.739 -11.534 -4.275) 14.025 16.223 ( 2.805 5.107 -0.045) 5.827 16.481 ( 13.633 -1.987 4.946) 14.638 16.953 ( -1.556 -1.763 0.176) 2.358 17.021 ( 2.963 -2.320 -1.068) 3.912 17.228 ( 1.879 -6.219 2.244) 6.874 17.371 ( -2.738 -1.851 -1.024) 3.460 19.875 ( -4.295 -2.334 0.404) 4.905 19.982 ( 3.474 -8.162 -0.375) 8.879 20.586 ( -2.211 14.607 1.912) 14.897 20.830 ( 1.645 12.942 -2.187) 13.228 21.978 ( -2.486 -15.898 1.179) 16.134 22.414 ( 1.397 -13.697 -3.147) 14.123 22.908 ( -1.901 9.370 2.992) 10.018 23.240 ( 1.003 7.232 -2.341) 7.667 27.217 ( -2.946 -19.333 0.453) 19.561 27.404 ( 10.295 -22.731 4.121) 25.291 28.851 ( 1.669 23.291 3.699) 23.642 29.174 ( -5.333 19.122 -8.076) 21.432 30.549 ( 2.238 -14.525 6.494) 16.067 30.563 ( 1.526 -4.474 3.514) 5.890 30.678 ( 4.836 -9.008 1.949) 10.408 31.194 ( -3.618 -2.938 2.343) 5.217 31.262 ( 4.788 -2.938 2.573) 6.179 31.475 ( -0.866 6.498 -4.107) 7.736 31.616 ( -0.350 13.137 -2.334) 13.347 32.236 ( 0.631 -4.123 -13.671) 14.293 32.725 ( -1.677 -12.281 -2.529) 12.650 33.129 ( 0.409 7.108 -5.058) 8.734 33.240 ( 1.987 8.995 -18.025) 20.242 33.543 ( 4.835 7.658 -4.757) 10.230 35.243 ( -2.232 -1.001 2.312) 3.366 35.342 ( -2.043 -1.332 1.961) 3.129 35.416 ( -0.045 -1.522 -2.112) 2.603 35.672 ( 0.951 0.308 -0.111) 1.006 35.838 ( -2.137 -0.234 5.546) 5.948 35.922 ( -6.776 2.190 15.665) 17.208 36.595 ( 5.136 -16.037 18.135) 24.747 38.016 ( -4.713 16.344 -12.781) 21.276 ======================= Grid point 108 (51/114) ======================= q-point: (-0.12 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.855 ( -14.175 -16.066 0.196) 21.427 2.135 ( -7.399 -15.904 3.483) 17.884 2.153 ( -8.805 2.413 -7.902) 12.074 2.233 ( 6.233 -8.016 -1.223) 10.227 2.517 ( -4.612 0.472 -1.777) 4.964 2.753 ( -3.564 -4.915 -3.040) 6.790 2.899 ( 0.357 -10.101 -4.599) 11.105 2.954 ( 7.900 5.125 3.563) 10.069 3.024 ( 4.240 1.576 -4.723) 6.540 3.330 ( -5.382 1.313 -5.244) 7.628 3.409 ( -2.235 -0.187 -8.736) 9.019 3.449 ( 0.659 -7.829 -6.502) 10.198 3.526 ( 3.720 3.680 -2.906) 5.985 3.637 ( 3.294 6.387 5.979) 9.349 3.764 ( 0.218 2.144 0.541) 2.222 4.081 ( 1.658 1.635 11.160) 11.400 4.121 ( -6.484 -2.081 0.708) 6.846 4.246 ( 12.897 4.170 6.262) 14.931 4.463 ( 0.003 3.491 -1.690) 3.879 4.600 ( -0.598 -4.971 -2.732) 5.704 4.852 ( 2.990 -0.224 -2.371) 3.823 4.890 ( 1.727 2.251 -2.804) 3.989 5.223 ( 6.602 -4.060 7.903) 11.069 5.282 ( -5.632 -0.234 -4.887) 7.460 5.336 ( -2.214 1.089 1.725) 3.011 5.686 ( 0.426 0.276 -2.506) 2.557 5.721 ( -3.174 -2.686 -1.647) 4.473 5.820 ( 1.113 -2.321 -1.931) 3.218 5.843 ( -3.188 3.245 3.718) 5.875 6.004 ( 5.403 4.710 7.190) 10.152 7.678 ( 1.705 -0.036 1.229) 2.102 7.736 ( 2.715 -1.507 1.384) 3.399 7.846 ( -12.080 4.189 -3.993) 13.395 8.046 ( 4.320 0.662 3.074) 5.343 8.757 ( -1.884 -1.799 1.938) 3.247 8.879 ( -0.168 1.950 1.799) 2.658 8.907 ( -1.514 5.463 -1.482) 5.859 9.011 ( -0.642 3.021 -0.641) 3.155 9.089 ( 0.266 -0.457 -3.593) 3.632 9.290 ( 3.554 -0.671 -4.332) 5.643 9.521 ( -4.036 5.869 0.507) 7.141 9.687 ( 4.576 4.235 3.252) 7.032 9.838 ( -2.910 -4.278 -2.441) 5.721 9.904 ( 3.786 -4.626 -0.174) 5.980 10.176 ( -2.202 5.452 3.088) 6.642 10.418 ( -1.072 2.447 -3.344) 4.280 11.219 ( 1.317 -2.803 3.167) 4.430 11.309 ( -1.974 -0.748 0.981) 2.328 11.464 ( -2.953 2.488 3.111) 4.959 11.559 ( -2.026 -0.655 -5.416) 5.819 11.623 ( -0.208 -0.814 1.326) 1.570 11.807 ( -3.650 -2.307 -7.314) 8.494 12.159 ( 0.442 -5.744 -0.864) 5.826 12.290 ( 7.157 3.806 -0.116) 8.107 12.349 ( -2.867 -1.781 4.171) 5.366 12.437 ( -2.760 -0.109 -2.863) 3.978 12.759 ( 4.046 8.018 1.077) 9.045 12.808 ( 1.697 7.768 0.497) 7.967 13.499 ( -3.707 -1.476 3.264) 5.155 13.574 ( 5.339 -3.639 2.818) 7.050 13.627 ( -1.443 -3.638 -5.626) 6.853 13.871 ( 3.666 -7.580 0.457) 8.433 14.288 ( -12.035 9.669 -5.594) 16.421 14.589 ( 3.586 -1.119 2.970) 4.789 15.120 ( 1.994 -6.223 3.227) 7.288 15.234 ( 1.510 -3.878 -0.893) 4.257 15.411 ( 4.059 -0.803 1.048) 4.268 15.512 ( -1.797 5.629 -1.184) 6.026 15.837 ( -0.827 -10.220 5.271) 11.529 16.118 ( -3.755 6.451 -0.307) 7.471 16.256 ( -5.870 -10.190 -7.244) 13.812 16.622 ( 14.924 2.795 4.551) 15.851 16.966 ( -1.633 -1.848 -0.567) 2.530 17.084 ( 3.900 -1.918 -0.384) 4.364 17.294 ( -1.911 -0.837 -0.943) 2.289 17.395 ( 0.193 -0.728 2.641) 2.746 19.937 ( -3.044 -7.411 1.060) 8.082 20.133 ( 3.752 -3.681 -4.274) 6.775 20.359 ( -1.427 7.451 3.424) 8.323 20.590 ( 1.649 13.639 -3.229) 14.113 22.245 ( -2.551 -15.258 1.396) 15.533 22.651 ( 1.800 -13.269 -3.369) 13.808 22.755 ( -0.951 9.441 4.935) 10.695 23.086 ( 1.340 9.705 -1.957) 9.990 27.563 ( -3.742 -22.416 -0.133) 22.726 27.915 ( 14.242 -18.799 5.072) 24.124 28.466 ( 1.381 23.780 3.670) 24.101 28.717 ( -5.394 20.358 -8.417) 22.680 30.677 ( 0.043 -6.530 1.995) 6.828 30.775 ( -0.391 -4.204 6.966) 8.146 30.901 ( 3.493 -11.431 0.152) 11.954 31.209 ( -5.969 -2.323 -0.072) 6.406 31.274 ( 0.225 5.468 2.190) 5.895 31.367 ( -0.908 12.207 -1.373) 12.317 31.450 ( 4.306 -3.849 -6.699) 8.845 32.193 ( 4.304 -1.058 -16.494) 17.079 32.832 ( -4.224 -3.682 -3.267) 6.486 33.038 ( -1.523 -4.809 -3.849) 6.345 33.146 ( -0.231 1.408 1.904) 2.379 33.401 ( 4.302 9.558 -3.173) 10.951 35.250 ( -2.844 -0.461 3.063) 4.205 35.364 ( -2.587 -1.460 1.768) 3.457 35.439 ( 1.105 -1.820 -2.075) 2.973 35.660 ( 0.528 1.304 -0.348) 1.449 35.857 ( -2.229 0.560 6.314) 6.719 35.907 ( -7.712 2.186 14.715) 16.757 37.016 ( 9.050 -17.335 6.795) 20.702 37.606 ( -2.763 18.414 -12.500) 22.427 ======================= Grid point 114 (52/114) ======================= q-point: (-0.38 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( -21.777 0.000 -17.162) 27.726 1.357 ( -21.747 0.000 -11.148) 24.438 1.855 ( 9.864 -0.000 -13.792) 16.956 2.329 ( 5.475 -0.000 -24.201) 24.813 2.374 ( -24.460 0.000 -16.093) 29.280 2.637 ( -2.846 0.000 1.967) 3.459 2.817 ( -5.538 0.000 -1.274) 5.682 2.895 ( 0.534 -0.000 4.811) 4.841 3.317 ( -2.642 0.000 -0.814) 2.765 3.353 ( 2.703 -0.000 4.590) 5.326 3.485 ( 5.443 -0.000 7.232) 9.051 3.526 ( -4.223 0.000 -0.431) 4.245 3.549 ( -4.981 0.000 -1.206) 5.125 3.728 ( 15.458 -0.000 5.092) 16.275 3.840 ( -4.545 0.000 1.180) 4.696 3.991 ( 13.871 -0.000 4.686) 14.641 4.056 ( 0.959 -0.000 19.654) 19.677 4.222 ( 4.811 -0.000 -1.193) 4.956 4.430 ( 0.532 -0.000 3.606) 3.645 4.661 ( 6.430 -0.000 1.457) 6.593 4.762 ( -2.823 0.000 -1.387) 3.146 4.864 ( 1.639 -0.000 1.411) 2.163 5.066 ( -0.023 0.000 -6.349) 6.349 5.232 ( -8.723 0.000 -11.717) 14.608 5.387 ( -1.264 0.000 -0.823) 1.508 5.576 ( 8.530 -0.000 6.593) 10.781 5.625 ( 2.355 -0.000 -1.476) 2.779 5.733 ( -1.151 0.000 -3.646) 3.823 6.141 ( -6.299 0.000 -2.663) 6.839 6.232 ( 0.569 -0.000 0.239) 0.617 7.655 ( -0.904 0.000 -0.653) 1.115 7.707 ( -2.106 0.000 0.895) 2.288 8.052 ( -7.717 0.000 -0.461) 7.731 8.100 ( 0.391 -0.000 3.066) 3.091 8.739 ( -0.625 0.000 -1.817) 1.921 8.924 ( 0.360 -0.000 -1.305) 1.354 8.978 ( 10.256 -0.000 -0.314) 10.261 9.132 ( -0.192 0.000 -0.482) 0.518 9.252 ( -1.829 0.000 -3.629) 4.064 9.272 ( -1.639 0.000 -5.196) 5.448 9.467 ( -2.679 0.000 -5.603) 6.211 9.696 ( 1.582 -0.000 -1.707) 2.327 10.031 ( -1.330 0.000 7.032) 7.156 10.166 ( -5.353 0.000 3.483) 6.387 10.379 ( 0.995 -0.000 3.328) 3.473 10.618 ( 0.542 -0.000 -1.170) 1.290 10.906 ( -1.460 0.000 0.716) 1.626 11.167 ( 7.638 -0.000 -0.584) 7.660 11.443 ( -0.599 0.000 -6.265) 6.294 11.566 ( -0.811 0.000 -3.265) 3.365 11.796 ( -5.071 0.000 2.332) 5.582 11.938 ( -4.326 0.000 0.491) 4.354 12.249 ( -7.235 0.000 -11.906) 13.932 12.404 ( 4.971 -0.000 8.910) 10.203 12.419 ( 2.748 -0.000 2.399) 3.648 12.543 ( 0.812 -0.000 -2.450) 2.581 12.982 ( 2.385 -0.000 3.168) 3.966 13.093 ( 8.586 -0.000 -6.030) 10.492 13.283 ( -0.615 0.000 1.053) 1.220 13.326 ( -1.815 0.000 -1.074) 2.109 13.572 ( -2.022 0.000 4.610) 5.034 13.708 ( -0.766 0.000 -0.739) 1.064 14.615 ( 6.797 -0.000 2.418) 7.214 14.635 ( 8.983 -0.000 8.452) 12.334 14.666 ( -0.525 0.000 -2.003) 2.070 14.966 ( 0.497 -0.000 -0.583) 0.767 15.002 ( 4.965 -0.000 1.798) 5.280 15.226 ( 1.495 -0.000 -3.619) 3.915 15.813 ( -7.120 0.000 4.473) 8.408 16.142 ( -3.170 0.000 -5.973) 6.762 16.355 ( 5.180 -0.000 -1.582) 5.416 16.362 ( 2.157 -0.000 -0.027) 2.157 16.898 ( 0.206 -0.000 0.642) 0.674 16.949 ( 1.771 -0.000 -1.753) 2.492 17.037 ( 1.506 -0.000 4.754) 4.987 17.315 ( -5.489 0.000 -5.347) 7.663 19.833 ( 2.951 -0.000 2.462) 3.843 19.857 ( -7.655 0.000 -1.062) 7.729 20.988 ( -2.081 0.000 0.245) 2.096 21.077 ( -0.026 0.000 2.485) 2.485 21.615 ( -1.451 0.000 0.865) 1.689 22.084 ( 0.563 -0.000 -3.637) 3.680 23.145 ( -0.844 0.000 0.569) 1.018 23.370 ( 0.812 -0.000 -2.265) 2.406 26.837 ( 0.004 -0.000 0.257) 0.257 26.844 ( 0.090 -0.000 0.133) 0.160 29.491 ( -0.917 0.000 -0.644) 1.120 29.511 ( -3.379 0.000 -3.464) 4.839 30.067 ( 6.095 -0.000 13.113) 14.460 30.508 ( 3.432 -0.000 2.755) 4.401 30.522 ( 3.943 -0.000 2.499) 4.668 31.150 ( 3.682 -0.000 3.422) 5.027 31.177 ( 0.676 -0.000 2.144) 2.248 31.639 ( -0.009 0.000 -9.902) 9.902 31.956 ( -4.272 0.000 -2.583) 4.993 32.091 ( -2.018 0.000 -2.234) 3.011 32.388 ( 0.468 -0.000 -2.619) 2.660 33.246 ( 0.497 -0.000 4.136) 4.166 33.605 ( 22.576 -0.000 -64.007) 67.872 33.691 ( 6.826 -0.000 -7.199) 9.921 35.197 ( -1.399 0.000 1.306) 1.914 35.340 ( -3.066 0.000 -0.488) 3.104 35.440 ( -0.042 0.000 -1.150) 1.151 35.612 ( 5.084 -0.000 -1.286) 5.244 35.824 ( -5.380 0.000 3.987) 6.697 35.912 ( 3.466 -0.000 5.874) 6.820 36.329 ( -14.320 0.000 60.580) 62.250 38.335 ( -8.382 0.000 -13.409) 15.814 ======================= Grid point 115 (53/114) ======================= q-point: (-0.25 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -19.453 -15.238 -5.429) 25.300 1.339 ( -20.839 -21.879 -10.324) 31.930 1.914 ( -1.914 -9.504 -13.860) 16.914 2.065 ( -14.426 0.168 -16.016) 21.556 2.361 ( 0.270 -11.820 -17.500) 21.120 2.600 ( -2.449 3.572 3.792) 5.757 2.722 ( -14.452 -1.159 -3.575) 14.932 2.904 ( -0.941 3.715 1.344) 4.061 3.238 ( -0.406 3.908 -2.978) 4.930 3.350 ( 1.976 2.813 2.296) 4.134 3.441 ( -2.465 3.733 1.013) 4.587 3.524 ( -2.804 0.888 -3.015) 4.211 3.621 ( 0.397 -4.209 2.513) 4.918 3.799 ( 4.766 3.189 2.719) 6.346 3.831 ( 8.113 3.148 1.035) 8.764 4.096 ( 5.081 0.058 5.304) 7.345 4.184 ( -0.835 -1.173 16.442) 16.505 4.307 ( 14.737 -0.401 3.159) 15.078 4.487 ( 1.443 -1.448 3.566) 4.111 4.628 ( 5.028 3.994 2.562) 6.913 4.828 ( 6.823 -3.143 4.652) 8.836 4.940 ( 2.171 -2.350 -6.626) 7.358 4.983 ( -1.539 0.861 1.398) 2.250 5.162 ( -5.237 -5.079 -11.918) 13.974 5.367 ( -1.333 1.406 1.372) 2.374 5.631 ( 0.993 -0.039 -0.482) 1.105 5.675 ( 4.601 -1.611 -0.053) 4.875 5.728 ( 1.335 -2.223 -3.181) 4.104 6.032 ( -5.957 4.900 -0.014) 7.714 6.200 ( -0.441 3.435 0.791) 3.552 7.656 ( 0.164 0.021 1.097) 1.109 7.717 ( 1.792 0.170 2.883) 3.399 7.957 ( -12.315 1.613 -2.151) 12.605 8.096 ( -0.075 1.649 3.465) 3.838 8.719 ( 0.780 0.519 0.411) 1.024 8.895 ( -1.428 1.119 -2.388) 2.999 9.018 ( 2.627 0.652 -3.019) 4.055 9.159 ( -3.443 -1.638 -6.629) 7.647 9.188 ( -1.915 3.273 -2.563) 4.577 9.223 ( 5.747 1.117 0.681) 5.894 9.477 ( -0.680 -5.150 -4.476) 6.857 9.716 ( 0.895 -2.689 -3.721) 4.677 9.946 ( -1.084 11.161 8.743) 14.219 10.131 ( -0.249 6.844 3.574) 7.725 10.349 ( -2.155 3.853 2.559) 5.103 10.571 ( 1.678 5.285 -1.286) 5.692 10.978 ( 1.888 -7.367 1.686) 7.790 11.246 ( 5.978 -2.072 0.969) 6.401 11.443 ( -0.619 -3.313 -4.076) 5.289 11.534 ( -0.790 0.718 -2.814) 3.010 11.712 ( -6.375 4.429 -0.241) 7.766 11.928 ( -7.086 -2.457 -9.558) 12.149 12.018 ( -8.737 9.486 -0.334) 12.901 12.386 ( -0.846 3.574 2.580) 4.488 12.450 ( -0.146 2.322 1.424) 2.728 12.507 ( 4.589 3.636 -0.504) 5.877 12.976 ( 6.153 4.168 2.532) 7.852 13.068 ( 3.022 5.127 -2.662) 6.520 13.323 ( -3.735 -3.543 0.947) 5.235 13.391 ( 7.260 -6.425 1.609) 9.828 13.582 ( -2.890 -0.902 1.031) 3.199 13.730 ( 0.963 -1.431 1.169) 2.084 14.559 ( 2.434 3.871 0.940) 4.668 14.580 ( -5.164 6.186 -9.604) 12.537 14.849 ( -3.908 -7.789 3.461) 9.377 15.020 ( 3.988 -9.835 2.820) 10.981 15.254 ( 4.414 -4.591 -0.566) 6.394 15.281 ( 11.405 -13.543 2.302) 17.854 15.841 ( -6.368 -1.872 4.971) 8.293 15.999 ( -3.397 4.474 -6.594) 8.663 16.341 ( 4.573 4.067 -0.465) 6.137 16.500 ( 10.757 -9.291 1.045) 14.252 16.914 ( -0.969 -1.202 -0.179) 1.554 16.996 ( 3.436 -3.152 -0.978) 4.764 17.136 ( 1.921 -6.419 4.036) 7.822 17.271 ( -4.905 -3.659 -5.206) 8.034 19.799 ( -7.458 -1.353 -0.961) 7.641 19.897 ( 2.348 -3.758 0.910) 4.524 20.827 ( -2.337 12.893 1.754) 13.220 21.032 ( 0.983 8.325 -0.114) 8.384 21.719 ( -2.074 -11.399 2.334) 11.819 22.178 ( 0.998 -11.016 -3.556) 11.618 23.063 ( -1.237 7.564 1.884) 7.893 23.335 ( 1.530 3.665 -2.057) 4.473 26.932 ( -0.889 -10.893 0.169) 10.931 27.086 ( 7.955 -23.010 2.707) 24.496 29.252 ( -0.795 18.823 1.886) 18.934 29.390 ( -3.313 11.790 -4.485) 13.043 30.349 ( 3.071 -14.512 11.595) 18.827 30.553 ( 3.047 -0.718 3.119) 4.419 30.606 ( 4.131 -4.503 1.768) 6.361 31.148 ( -3.854 1.697 0.277) 4.220 31.252 ( 5.685 -3.734 1.453) 6.955 31.536 ( -0.450 3.869 -10.431) 11.135 31.809 ( -2.098 9.744 -1.778) 10.125 32.087 ( -1.496 -3.373 -10.053) 10.709 32.490 ( -0.740 -10.629 -2.373) 10.916 33.210 ( 5.208 10.239 -36.645) 38.403 33.271 ( 3.163 4.296 -18.151) 18.919 33.663 ( 5.767 4.377 -5.147) 8.884 35.210 ( -1.853 -1.700 1.247) 2.807 35.317 ( -2.943 -0.334 0.500) 3.004 35.404 ( 0.365 1.253 -0.768) 1.514 35.664 ( 1.033 -0.822 -0.878) 1.585 35.845 ( -0.163 -2.282 3.861) 4.488 35.982 ( 0.241 -0.827 8.376) 8.420 36.615 ( -5.292 -2.403 54.971) 55.277 38.120 ( -6.132 8.343 -14.492) 17.811 ======================= Grid point 116 (54/114) ======================= q-point: (-0.12 -0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -17.232 -22.181 -1.138) 28.111 1.637 ( -24.601 -20.728 -3.242) 32.333 1.910 ( -8.701 -21.555 -11.920) 26.123 2.158 ( 9.646 -8.176 2.151) 12.826 2.476 ( -8.523 2.608 -2.867) 9.363 2.521 ( -3.219 -11.842 -7.418) 14.339 2.741 ( -7.473 -13.488 -6.876) 16.884 2.801 ( -4.162 2.146 -2.001) 5.092 3.175 ( 2.614 3.655 -0.158) 4.497 3.295 ( -1.436 3.622 -1.302) 4.108 3.408 ( 2.053 3.821 0.354) 4.352 3.414 ( -0.917 3.526 -4.900) 6.106 3.629 ( 0.588 2.007 -2.616) 3.349 3.739 ( 6.664 7.088 -0.606) 9.748 3.869 ( 3.388 0.204 2.003) 3.941 4.114 ( 0.072 3.865 3.962) 5.535 4.224 ( 0.521 3.930 12.389) 13.008 4.445 ( 13.969 2.114 5.460) 15.146 4.525 ( 2.690 -0.919 -1.211) 3.090 4.623 ( 8.275 6.282 5.122) 11.583 4.864 ( 0.916 2.670 -7.695) 8.197 4.936 ( 3.683 0.802 1.612) 4.100 5.146 ( 4.408 -11.635 5.583) 13.638 5.174 ( -2.806 -4.647 -6.316) 8.329 5.341 ( -2.360 0.692 1.951) 3.140 5.627 ( -4.794 -1.719 0.138) 5.095 5.687 ( -0.660 0.104 -5.091) 5.135 5.768 ( 2.633 -1.319 -3.323) 4.440 5.930 ( -2.067 4.259 3.908) 6.139 6.148 ( 2.890 3.331 3.929) 5.907 7.675 ( -0.592 -1.012 1.845) 2.186 7.733 ( -2.614 0.139 -1.230) 2.892 7.809 ( -7.032 3.227 -0.606) 7.760 8.099 ( 0.512 -0.013 3.230) 3.271 8.737 ( -0.710 -0.451 1.973) 2.144 8.865 ( -2.379 -1.456 -2.035) 3.453 8.971 ( -2.814 4.355 -1.790) 5.485 9.061 ( 0.793 2.777 -2.505) 3.823 9.103 ( -3.556 3.671 -0.458) 5.131 9.296 ( 7.815 -1.137 -2.254) 8.213 9.542 ( -0.827 -2.755 -4.711) 5.520 9.702 ( -2.464 0.537 -3.802) 4.562 9.852 ( 1.979 1.474 6.586) 7.033 9.979 ( 1.176 11.200 4.285) 12.049 10.252 ( -3.814 4.578 0.435) 5.975 10.478 ( 2.000 6.001 -1.060) 6.414 11.165 ( 4.520 -7.282 2.893) 9.045 11.302 ( -0.333 0.034 2.373) 2.396 11.469 ( -3.950 -1.001 0.715) 4.137 11.511 ( 1.228 -0.375 -5.362) 5.514 11.602 ( -5.089 0.201 -2.056) 5.492 11.720 ( -6.879 2.627 -4.198) 8.476 12.029 ( -2.831 -6.284 0.741) 6.932 12.346 ( -1.199 1.293 2.464) 3.030 12.394 ( -2.703 1.142 -2.207) 3.671 12.472 ( 6.968 5.804 0.543) 9.085 12.936 ( 4.387 7.492 -1.407) 8.795 12.964 ( 2.568 6.874 0.853) 7.387 13.398 ( -2.902 -6.855 1.926) 7.689 13.547 ( -1.109 -1.098 0.218) 1.576 13.581 ( 5.733 -3.425 0.581) 6.703 13.802 ( 3.061 -4.158 2.108) 5.577 14.292 ( -14.211 7.944 -11.755) 20.081 14.564 ( -0.139 -2.055 1.045) 2.309 14.989 ( -2.887 -8.677 0.006) 9.144 15.214 ( 4.818 -6.627 3.385) 8.865 15.405 ( 7.116 -4.591 1.030) 8.530 15.563 ( 6.324 -6.923 2.016) 9.591 15.734 ( -5.204 3.854 -0.701) 6.514 15.966 ( -9.273 -4.931 -1.076) 10.558 16.282 ( 4.420 6.395 -0.339) 7.781 16.764 ( 17.248 -3.578 2.687) 17.819 16.927 ( -0.081 -1.539 -0.040) 1.542 17.074 ( 3.817 -2.465 -0.211) 4.549 17.231 ( -3.004 -3.194 -2.141) 4.879 17.357 ( 2.288 -6.450 0.216) 6.848 19.800 ( -5.370 -4.863 -0.127) 7.246 20.014 ( 3.309 -7.734 -3.275) 9.027 20.575 ( -2.275 14.105 2.177) 14.452 20.833 ( 1.606 13.559 -1.738) 13.763 21.964 ( -2.313 -15.364 3.268) 15.877 22.397 ( 1.266 -14.114 -3.475) 14.590 22.938 ( 0.441 8.122 4.705) 9.396 23.239 ( 1.972 7.378 -1.842) 7.856 27.180 ( -2.015 -17.860 -0.003) 17.973 27.700 ( 22.468 -25.528 5.947) 34.523 28.887 ( -1.995 22.151 1.753) 22.310 29.028 ( -3.275 21.836 -5.185) 22.681 30.580 ( 0.899 -5.232 -1.408) 5.492 30.683 ( -1.147 -9.477 9.613) 13.548 30.759 ( 2.987 -8.451 2.576) 9.326 31.068 ( -10.864 -3.265 -8.033) 13.900 31.367 ( 4.076 -4.383 -6.202) 8.619 31.404 ( 0.892 7.102 1.089) 7.240 31.583 ( -1.313 13.353 -1.016) 13.456 32.070 ( 3.860 -4.666 -20.236) 21.123 32.647 ( -3.608 -9.530 -5.656) 11.655 32.898 ( -5.631 -2.582 -14.681) 15.934 33.219 ( 0.658 3.935 1.936) 4.435 33.572 ( 5.181 7.642 -3.838) 9.999 35.229 ( -2.676 -1.183 2.023) 3.557 35.322 ( -2.416 -1.813 1.258) 3.272 35.408 ( 1.269 -1.327 -1.389) 2.303 35.656 ( -1.873 -0.073 -1.012) 2.130 35.898 ( 1.762 0.604 5.322) 5.638 36.005 ( -6.253 3.182 14.832) 16.408 36.910 ( 3.300 -6.943 24.533) 25.709 37.811 ( -1.580 14.295 -13.026) 19.405 ======================= Grid point 123 (55/114) ======================= q-point: (-0.25 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.781 ( -25.345 0.000 -12.563) 28.288 0.860 ( -26.161 0.000 -9.759) 27.922 1.542 ( -39.590 0.000 -13.685) 41.889 2.025 ( 7.929 -0.000 -5.667) 9.746 2.147 ( 3.341 -0.000 -18.678) 18.975 2.571 ( -21.223 0.000 -1.696) 21.290 2.642 ( -2.690 0.000 4.713) 5.426 2.969 ( 2.032 -0.000 1.991) 2.845 3.213 ( -6.099 0.000 -4.689) 7.693 3.392 ( 0.660 -0.000 -0.829) 1.060 3.478 ( -0.688 0.000 -0.733) 1.006 3.508 ( 0.144 -0.000 1.157) 1.166 3.637 ( 4.641 -0.000 2.898) 5.472 3.782 ( -3.943 0.000 3.038) 4.977 4.019 ( 15.292 -0.000 -2.755) 15.538 4.139 ( 2.825 -0.000 2.484) 3.762 4.254 ( 0.505 -0.000 14.245) 14.254 4.419 ( 10.044 -0.000 0.924) 10.086 4.507 ( 4.586 -0.000 6.864) 8.255 4.738 ( 2.600 -0.000 6.438) 6.943 4.792 ( 7.977 -0.000 -4.364) 9.093 4.935 ( 2.530 -0.000 -16.521) 16.714 5.008 ( -5.057 0.000 -0.533) 5.085 5.066 ( 6.997 -0.000 16.973) 18.358 5.384 ( -1.196 0.000 1.633) 2.024 5.628 ( -1.437 0.000 -1.137) 1.832 5.638 ( -1.632 0.000 -6.975) 7.163 5.736 ( 7.638 -0.000 -2.325) 7.984 6.028 ( -6.025 0.000 1.431) 6.193 6.213 ( -2.377 0.000 -0.751) 2.493 7.682 ( -1.491 0.000 2.184) 2.644 7.769 ( 3.887 -0.000 6.524) 7.594 7.873 ( -10.515 0.000 -0.925) 10.555 8.124 ( -1.293 0.000 6.290) 6.422 8.733 ( 1.523 -0.000 -0.314) 1.555 8.872 ( -1.847 0.000 -7.609) 7.830 9.020 ( 4.555 -0.000 -6.671) 8.078 9.082 ( -5.898 0.000 -1.856) 6.183 9.188 ( -0.170 0.000 -3.049) 3.054 9.284 ( 3.929 -0.000 3.070) 4.986 9.405 ( 0.916 -0.000 -2.940) 3.080 9.659 ( -2.238 0.000 -5.235) 5.693 10.146 ( 2.467 -0.000 10.061) 10.359 10.197 ( 1.526 -0.000 4.344) 4.605 10.387 ( -4.591 0.000 2.559) 5.256 10.655 ( 6.842 -0.000 -0.477) 6.858 10.925 ( 3.442 -0.000 0.147) 3.445 11.287 ( 7.752 -0.000 0.496) 7.767 11.392 ( 0.082 -0.000 -2.030) 2.032 11.505 ( -0.994 0.000 -6.048) 6.129 11.734 ( -8.121 0.000 3.814) 8.972 11.765 ( -8.404 0.000 -11.550) 14.284 12.063 ( -7.871 0.000 -0.857) 7.917 12.402 ( -2.473 0.000 -1.225) 2.760 12.491 ( -1.134 0.000 -6.242) 6.344 12.611 ( 4.466 -0.000 15.638) 16.263 13.082 ( 4.502 -0.000 2.678) 5.239 13.115 ( 5.680 -0.000 -10.057) 11.550 13.331 ( 2.270 -0.000 5.646) 6.085 13.345 ( 4.949 -0.000 -0.437) 4.968 13.590 ( -1.842 0.000 3.108) 3.613 13.693 ( -0.001 0.000 -0.645) 0.645 14.608 ( 0.937 -0.000 -1.541) 1.804 14.620 ( -1.980 0.000 -4.339) 4.770 14.859 ( 1.998 -0.000 7.947) 8.194 14.895 ( -2.369 0.000 -13.004) 13.218 15.069 ( 1.257 -0.000 -4.628) 4.796 15.224 ( 3.407 -0.000 -2.916) 4.484 15.889 ( 3.505 -0.000 14.669) 15.082 15.943 ( -6.782 0.000 -19.413) 20.564 16.373 ( 0.626 -0.000 -3.630) 3.683 16.419 ( 4.429 -0.000 0.625) 4.473 16.911 ( 0.404 -0.000 1.390) 1.447 16.966 ( 3.646 -0.000 -2.661) 4.514 17.124 ( 0.885 -0.000 6.840) 6.897 17.153 ( -5.858 0.000 -7.148) 9.242 19.713 ( -8.464 0.000 -1.725) 8.637 19.893 ( 1.325 -0.000 2.457) 2.792 20.958 ( -2.063 0.000 0.294) 2.084 21.111 ( 0.196 -0.000 3.655) 3.660 21.620 ( -1.316 0.000 4.699) 4.880 22.053 ( 0.941 -0.000 -3.588) 3.709 23.142 ( -0.468 0.000 1.024) 1.126 23.366 ( 1.628 -0.000 -1.776) 2.410 26.839 ( -0.013 0.000 0.216) 0.216 26.847 ( 0.113 -0.000 0.055) 0.126 29.439 ( -2.623 0.000 -0.499) 2.670 29.458 ( -1.337 0.000 -0.959) 1.645 30.288 ( 0.791 -0.000 13.700) 13.723 30.599 ( 3.414 -0.000 0.906) 3.532 30.600 ( 3.541 -0.000 3.460) 4.951 31.224 ( 2.159 -0.000 2.939) 3.647 31.246 ( 4.121 -0.000 2.564) 4.853 31.401 ( -2.283 0.000 -40.521) 40.585 31.851 ( -5.400 0.000 -2.322) 5.878 32.027 ( -2.549 0.000 -2.788) 3.777 32.371 ( 0.253 -0.000 -1.221) 1.247 32.998 ( 6.809 -0.000 -85.560) 85.830 33.297 ( 1.123 -0.000 2.441) 2.687 33.718 ( 5.558 -0.000 -4.755) 7.314 35.187 ( -1.719 0.000 1.326) 2.171 35.293 ( -2.052 0.000 -0.478) 2.106 35.420 ( -1.167 0.000 -0.657) 1.340 35.690 ( 6.118 -0.000 -0.905) 6.185 35.796 ( -2.445 0.000 1.602) 2.923 36.023 ( 2.184 -0.000 5.464) 5.884 37.021 ( -1.253 0.000 89.746) 89.754 38.060 ( -5.210 0.000 -14.946) 15.828 ======================= Grid point 124 (56/114) ======================= q-point: (-0.12 -0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -20.020 -21.020 -2.819) 29.165 1.012 ( -16.469 -34.502 2.826) 38.335 1.285 ( -35.639 -17.210 -3.684) 39.748 2.104 ( 5.220 -5.685 1.418) 7.847 2.216 ( 2.941 -11.953 -10.433) 16.136 2.388 ( -15.701 0.814 -4.938) 16.479 2.625 ( -3.015 1.734 3.493) 4.929 2.885 ( -1.768 9.427 -1.223) 9.669 3.151 ( -4.992 -0.795 -1.789) 5.362 3.373 ( 1.367 1.769 -1.753) 2.841 3.435 ( -0.355 4.431 -4.407) 6.259 3.515 ( 5.590 0.989 2.452) 6.184 3.645 ( 1.425 1.550 -1.029) 2.343 3.805 ( -1.603 -2.389 -0.722) 2.967 3.985 ( 8.529 8.173 -2.388) 12.052 4.192 ( 2.221 0.534 1.364) 2.661 4.329 ( 0.282 0.539 8.993) 9.013 4.519 ( 5.047 -3.134 -2.891) 6.607 4.585 ( 7.968 -0.802 5.186) 9.540 4.772 ( 7.455 -2.395 6.418) 10.124 4.833 ( 1.289 2.328 -11.503) 11.807 4.964 ( -0.870 -7.545 -4.213) 8.685 5.040 ( 9.472 1.960 9.731) 13.721 5.175 ( 4.992 2.847 11.530) 12.883 5.354 ( -3.359 1.654 0.496) 3.777 5.573 ( -3.529 0.302 -3.303) 4.843 5.634 ( -1.040 -2.035 -3.316) 4.027 5.770 ( 3.666 0.226 -3.892) 5.352 5.992 ( -1.567 1.994 3.551) 4.363 6.192 ( -1.021 -0.305 0.651) 1.249 7.630 ( -11.701 0.190 -1.344) 11.779 7.744 ( 0.214 4.016 1.940) 4.465 7.859 ( 1.689 1.824 4.958) 5.546 8.111 ( -3.821 3.366 4.886) 7.057 8.737 ( -0.969 0.720 -1.221) 1.717 8.806 ( -1.893 -1.555 -2.748) 3.682 8.995 ( -3.695 2.638 -3.171) 5.538 9.051 ( 1.431 -1.890 -3.356) 4.109 9.154 ( -2.254 3.112 2.238) 4.446 9.334 ( 6.516 -0.492 1.228) 6.649 9.464 ( 4.736 -4.347 -2.429) 6.872 9.624 ( -4.342 -1.688 -4.978) 6.818 10.022 ( -5.210 12.970 3.552) 14.422 10.184 ( 1.989 5.795 3.782) 7.200 10.300 ( -6.407 5.316 0.472) 8.339 10.642 ( 7.763 7.677 0.663) 10.938 11.079 ( 8.040 -9.583 2.866) 12.833 11.329 ( 1.607 1.415 0.665) 2.242 11.418 ( 1.066 -2.505 -0.880) 2.861 11.469 ( -0.546 -1.291 -5.841) 6.007 11.568 ( -10.601 4.193 0.636) 11.418 11.702 ( -9.267 1.577 -0.725) 9.428 11.957 ( -4.466 1.178 1.967) 5.020 12.370 ( -1.282 1.176 -0.927) 1.972 12.396 ( -1.919 3.292 -1.238) 4.007 12.604 ( 0.260 6.163 3.061) 6.886 13.050 ( 3.503 4.276 -7.352) 9.198 13.089 ( 4.102 3.379 0.794) 5.373 13.310 ( -0.723 -1.699 3.094) 3.603 13.531 ( 2.623 -2.933 1.460) 4.197 13.565 ( 2.467 -2.194 3.432) 4.762 13.768 ( 2.113 -4.107 1.172) 4.765 14.267 ( -14.578 12.002 -15.864) 24.662 14.577 ( 0.089 3.091 -0.257) 3.103 14.810 ( -3.361 -8.586 1.520) 9.345 15.086 ( 0.953 -10.829 1.238) 10.942 15.296 ( 3.402 -8.689 -2.397) 9.634 15.431 ( 6.654 -13.905 0.153) 15.416 15.783 ( -1.660 1.810 -11.600) 11.857 15.973 ( 1.368 4.273 7.645) 8.864 16.412 ( 4.559 3.813 0.275) 5.950 16.711 ( 22.810 -24.824 -9.065) 34.910 16.911 ( 1.778 0.141 -0.146) 1.790 17.038 ( 3.624 -4.889 -1.897) 6.374 17.115 ( -5.112 -4.022 -4.973) 8.188 17.218 ( 0.642 -7.201 2.827) 7.763 19.679 ( -5.899 -3.533 -1.563) 7.052 19.920 ( 0.664 -2.253 -1.020) 2.561 20.812 ( -2.120 12.691 1.608) 12.967 21.047 ( 0.727 9.456 0.156) 9.485 21.744 ( -1.472 -9.930 8.581) 13.206 22.156 ( 1.280 -11.189 -3.384) 11.759 23.089 ( 0.449 5.367 3.888) 6.642 23.346 ( 2.663 3.474 -1.676) 4.687 26.924 ( -0.282 -9.850 0.086) 9.854 27.362 ( 28.519 -40.156 2.596) 49.321 29.237 ( -2.885 18.461 0.715) 18.698 29.319 ( -1.907 14.411 -3.004) 14.843 30.460 ( -1.127 -8.051 0.400) 8.140 30.598 ( -7.932 0.680 -0.090) 7.962 30.669 ( 2.468 -4.781 0.530) 5.406 30.854 ( -16.135 1.278 -29.552) 33.694 31.293 ( 3.429 -2.988 -5.266) 6.958 31.494 ( 7.899 -5.771 -1.526) 9.901 31.751 ( -2.228 4.502 -3.664) 6.217 31.911 ( -1.656 3.896 -16.195) 16.739 32.425 ( -3.139 -7.175 -8.264) 11.386 32.649 ( -7.326 -7.679 -27.727) 29.689 33.294 ( 0.717 2.465 1.561) 3.004 33.696 ( 4.984 4.214 -3.753) 7.529 35.197 ( -1.826 -1.374 1.552) 2.763 35.287 ( -1.621 -0.947 0.518) 1.948 35.400 ( -0.348 0.247 -0.061) 0.432 35.654 ( -0.531 2.777 -1.042) 3.013 35.907 ( 2.869 -5.913 2.125) 6.907 36.055 ( -1.179 0.451 5.041) 5.197 37.253 ( -3.530 22.805 63.129) 67.215 37.930 ( 2.101 6.179 -9.445) 11.480 ======================= Grid point 132 (57/114) ======================= q-point: (-0.12 -0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.363 ( -19.596 0.000 10.414) 22.192 0.491 ( -20.007 0.000 19.628) 28.027 0.883 ( -41.339 0.000 23.220) 47.414 2.017 ( -12.507 0.000 5.853) 13.809 2.160 ( 10.578 -0.000 1.642) 10.704 2.292 ( -0.638 0.000 -8.997) 9.019 2.645 ( -3.188 0.000 2.967) 4.355 2.994 ( 0.310 -0.000 -0.407) 0.511 3.106 ( -3.550 0.000 1.697) 3.935 3.356 ( 0.268 -0.000 -4.161) 4.170 3.474 ( -0.203 0.000 -9.879) 9.881 3.525 ( 4.734 -0.000 -0.506) 4.761 3.679 ( 1.133 -0.000 -2.256) 2.524 3.744 ( -3.387 0.000 -0.511) 3.426 4.110 ( 5.195 -0.000 -6.644) 8.434 4.191 ( 0.754 -0.000 1.913) 2.056 4.371 ( -1.386 0.000 7.875) 7.996 4.480 ( 3.132 -0.000 -2.742) 4.163 4.602 ( -1.234 0.000 -5.649) 5.782 4.769 ( 4.691 -0.000 -16.548) 17.200 4.770 ( 3.297 -0.000 3.663) 4.928 5.075 ( 14.383 -0.000 22.957) 27.090 5.162 ( 4.405 -0.000 5.611) 7.133 5.278 ( -10.258 0.000 -7.457) 12.682 5.412 ( 11.287 -0.000 9.628) 14.835 5.568 ( 5.406 -0.000 -4.063) 6.763 5.604 ( 1.297 -0.000 9.816) 9.902 5.773 ( 1.022 -0.000 -1.817) 2.084 6.025 ( 0.936 -0.000 3.435) 3.560 6.165 ( -2.621 0.000 0.080) 2.623 7.528 ( -11.806 0.000 -1.243) 11.871 7.845 ( 0.023 -0.000 -0.525) 0.525 7.848 ( -0.170 0.000 1.863) 1.870 8.313 ( 3.556 -0.000 -1.644) 3.918 8.736 ( -0.291 0.000 4.374) 4.383 8.767 ( 1.272 -0.000 2.073) 2.432 8.972 ( -3.026 0.000 -3.171) 4.383 9.030 ( 2.641 -0.000 -1.310) 2.948 9.190 ( -1.522 0.000 5.539) 5.745 9.389 ( 6.149 -0.000 1.318) 6.289 9.433 ( 5.487 -0.000 -1.824) 5.782 9.579 ( 0.255 -0.000 4.015) 4.023 10.146 ( -9.981 0.000 -12.760) 16.200 10.239 ( -0.225 0.000 -2.799) 2.808 10.324 ( -6.038 0.000 4.291) 7.408 10.835 ( 10.796 -0.000 3.458) 11.336 10.997 ( 5.134 -0.000 -0.011) 5.134 11.356 ( -0.702 0.000 -1.997) 2.116 11.401 ( 0.449 -0.000 2.963) 2.997 11.431 ( 3.298 -0.000 -3.110) 4.533 11.619 ( 1.116 -0.000 13.130) 13.177 11.639 ( -8.587 0.000 2.196) 8.863 11.961 ( -4.638 0.000 -0.581) 4.674 12.367 ( -0.389 0.000 -1.246) 1.306 12.416 ( 0.549 -0.000 -3.615) 3.656 12.888 ( 4.489 -0.000 6.934) 8.260 13.052 ( 3.094 -0.000 -12.310) 12.693 13.131 ( 0.830 -0.000 -1.307) 1.549 13.385 ( -8.436 0.000 -2.718) 8.863 13.433 ( 6.342 -0.000 -1.572) 6.534 13.581 ( -0.153 0.000 3.632) 3.635 13.695 ( 0.455 -0.000 0.466) 0.651 14.235 ( -20.464 0.000 -28.287) 34.913 14.621 ( 1.179 -0.000 0.958) 1.519 14.678 ( -1.491 0.000 -5.518) 5.716 14.946 ( -1.560 0.000 1.495) 2.161 14.965 ( -1.472 0.000 -2.371) 2.791 15.258 ( 3.711 -0.000 -1.151) 3.886 15.519 ( -15.127 0.000 -12.575) 19.671 16.081 ( -0.831 0.000 4.651) 4.725 16.338 ( 0.807 -0.000 1.888) 2.053 16.481 ( 3.085 -0.000 -0.080) 3.086 16.957 ( 2.327 -0.000 2.234) 3.225 16.990 ( 3.736 -0.000 -3.366) 5.029 17.023 ( -2.424 0.000 -1.556) 2.880 17.197 ( -2.108 0.000 6.943) 7.256 19.589 ( -4.921 0.000 -1.513) 5.148 19.924 ( -0.973 0.000 1.014) 1.405 20.937 ( -1.290 0.000 0.672) 1.455 21.160 ( 1.494 -0.000 -0.022) 1.494 21.761 ( 7.783 -0.000 16.637) 18.368 22.037 ( 1.754 -0.000 -2.816) 3.318 23.158 ( -0.533 0.000 2.624) 2.677 23.373 ( 1.598 -0.000 -1.620) 2.276 26.840 ( -0.082 0.000 -0.003) 0.082 26.849 ( 0.094 -0.000 -0.020) 0.097 29.424 ( -2.993 0.000 -2.520) 3.912 29.443 ( -0.534 0.000 0.977) 1.113 30.181 ( -46.971 0.000 -72.694) 86.549 30.372 ( -4.229 0.000 6.470) 7.729 30.643 ( 1.335 -0.000 -0.976) 1.654 30.664 ( -0.277 0.000 2.738) 2.752 31.295 ( 0.563 -0.000 4.169) 4.206 31.307 ( 1.971 -0.000 -0.993) 2.207 31.765 ( -2.917 0.000 -0.377) 2.941 31.951 ( -3.418 0.000 -2.777) 4.404 32.260 ( -11.530 0.000 -16.654) 20.255 32.370 ( 0.335 -0.000 0.171) 0.376 33.326 ( 0.196 -0.000 0.739) 0.764 33.749 ( 4.413 -0.000 -3.337) 5.533 35.181 ( -1.367 0.000 1.995) 2.418 35.272 ( -0.819 0.000 0.505) 0.962 35.396 ( -1.187 0.000 -0.212) 1.206 35.755 ( 4.281 -0.000 -2.044) 4.744 35.781 ( -0.723 0.000 -0.315) 0.789 36.075 ( -1.384 0.000 1.821) 2.287 37.896 ( 3.325 -0.000 -9.894) 10.438 38.261 ( 33.469 -0.000 52.697) 62.427 ======================= Grid point 133 (58/114) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 12.031 -0.000 27.603) 30.111 1.266 ( -2.424 0.000 22.221) 22.353 1.939 ( 0.615 -0.000 -2.365) 2.443 2.047 ( 5.172 -0.000 36.194) 36.562 2.504 ( -6.093 0.000 -0.606) 6.123 2.628 ( 8.798 -0.000 7.738) 11.717 2.634 ( 4.509 -0.000 5.771) 7.323 2.761 ( -0.569 0.000 -20.291) 20.299 2.887 ( -2.168 0.000 -7.101) 7.425 3.108 ( 2.252 -0.000 -8.971) 9.250 3.277 ( 1.980 -0.000 -1.487) 2.476 3.374 ( -1.998 0.000 -11.049) 11.229 3.719 ( 4.440 -0.000 4.359) 6.222 3.809 ( -2.330 0.000 5.283) 5.774 3.897 ( -2.660 0.000 -1.608) 3.108 4.139 ( 1.140 -0.000 -0.919) 1.464 4.349 ( 1.137 -0.000 -3.214) 3.409 4.441 ( -8.798 0.000 0.013) 8.798 4.589 ( 7.429 -0.000 -0.336) 7.437 4.632 ( 2.460 -0.000 7.772) 8.152 4.757 ( -6.069 0.000 -5.979) 8.520 5.115 ( 2.530 -0.000 -6.489) 6.965 5.184 ( -8.834 0.000 1.999) 9.057 5.307 ( 0.615 -0.000 6.499) 6.528 5.519 ( 0.112 -0.000 5.902) 5.903 5.686 ( 7.851 -0.000 -0.438) 7.863 5.824 ( -1.205 0.000 -2.032) 2.362 5.885 ( -0.161 0.000 -0.396) 0.428 6.019 ( -6.323 0.000 0.578) 6.350 6.143 ( 0.178 -0.000 -2.618) 2.624 7.556 ( 5.212 -0.000 4.831) 7.107 7.675 ( -5.201 0.000 -2.766) 5.891 7.808 ( -1.186 0.000 1.156) 1.656 7.984 ( -3.697 0.000 -2.666) 4.558 8.886 ( 1.600 -0.000 3.570) 3.912 8.956 ( -0.081 0.000 1.754) 1.756 8.974 ( 6.086 -0.000 1.324) 6.229 9.023 ( -1.986 0.000 -1.945) 2.780 9.383 ( -3.441 0.000 2.704) 4.376 9.397 ( 0.048 -0.000 -0.735) 0.736 9.579 ( 12.137 -0.000 4.745) 13.031 9.729 ( -1.880 0.000 -2.604) 3.212 9.814 ( -4.405 0.000 0.778) 4.473 9.978 ( -5.458 0.000 -6.794) 8.715 10.371 ( -5.531 0.000 2.916) 6.253 10.564 ( -1.031 0.000 -8.026) 8.092 11.084 ( 1.617 -0.000 2.614) 3.073 11.291 ( -4.590 0.000 -5.952) 7.517 11.429 ( 5.763 -0.000 1.126) 5.872 11.502 ( -4.524 0.000 -2.029) 4.958 11.649 ( 1.615 -0.000 7.817) 7.982 11.778 ( -0.649 0.000 -0.257) 0.698 12.363 ( 0.013 -0.000 2.710) 2.710 12.382 ( 3.625 -0.000 7.011) 7.893 12.491 ( 7.258 -0.000 1.363) 7.385 12.557 ( -3.880 0.000 6.006) 7.150 12.771 ( 6.769 -0.000 -10.679) 12.644 12.938 ( -3.061 0.000 -8.295) 8.842 13.386 ( -0.623 0.000 -2.612) 2.686 13.403 ( 0.840 -0.000 -2.156) 2.314 13.688 ( -4.070 0.000 4.365) 5.968 13.760 ( 0.760 -0.000 1.502) 1.683 14.602 ( 2.036 -0.000 -1.002) 2.269 14.614 ( -0.656 0.000 -2.797) 2.873 14.850 ( 0.121 -0.000 2.257) 2.260 14.871 ( 11.013 -0.000 1.614) 11.131 15.162 ( 3.214 -0.000 5.033) 5.972 15.318 ( -0.655 0.000 -1.335) 1.487 15.499 ( 21.577 -0.000 2.111) 21.680 15.731 ( -18.417 0.000 -8.016) 20.086 16.558 ( 0.128 -0.000 3.350) 3.352 16.578 ( 2.357 -0.000 1.815) 2.975 16.908 ( -2.034 0.000 -0.466) 2.087 16.944 ( 1.260 -0.000 -1.759) 2.164 17.197 ( 7.184 -0.000 4.425) 8.437 17.280 ( -7.473 0.000 1.779) 7.682 19.541 ( 3.039 -0.000 0.680) 3.114 19.712 ( -5.007 0.000 -6.884) 8.512 20.972 ( -0.245 0.000 2.123) 2.137 21.075 ( -0.974 0.000 -2.322) 2.518 21.910 ( -6.004 0.000 1.689) 6.237 21.999 ( 4.578 -0.000 -2.405) 5.171 23.189 ( -2.234 0.000 2.445) 3.312 23.321 ( 1.987 -0.000 -3.127) 3.705 26.842 ( -0.083 0.000 0.122) 0.148 26.847 ( 0.006 -0.000 -0.099) 0.099 29.399 ( 4.994 -0.000 4.016) 6.409 29.496 ( -1.345 0.000 0.683) 1.508 30.370 ( -8.996 0.000 3.512) 9.657 30.565 ( 0.508 -0.000 -4.139) 4.170 30.674 ( -8.261 0.000 1.873) 8.471 30.846 ( 36.460 -0.000 -5.638) 36.893 31.330 ( -12.371 0.000 1.781) 12.499 31.340 ( 26.839 -0.000 0.945) 26.855 31.840 ( 3.431 -0.000 2.720) 4.378 31.896 ( -2.290 0.000 -0.107) 2.293 32.293 ( 4.841 -0.000 4.892) 6.882 32.408 ( 0.394 -0.000 0.421) 0.576 33.340 ( -3.037 0.000 3.225) 4.430 33.657 ( 4.916 -0.000 -8.011) 9.399 35.261 ( -1.590 0.000 3.550) 3.889 35.309 ( 1.173 -0.000 1.269) 1.728 35.443 ( -0.249 0.000 4.763) 4.770 35.674 ( 1.028 -0.000 -5.189) 5.290 35.739 ( -0.310 0.000 -0.286) 0.421 35.910 ( -5.624 0.000 -6.327) 8.465 37.926 ( 22.605 -0.000 -0.967) 22.626 37.931 ( -44.833 0.000 -0.598) 44.837 ======================= Grid point 134 (59/114) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.383 ( 7.522 -2.547 16.799) 18.582 1.523 ( 5.387 -6.672 20.838) 22.533 1.907 ( 9.157 2.968 -3.955) 10.407 2.286 ( 3.501 12.054 -15.554) 19.987 2.434 ( 5.876 -8.204 24.644) 26.630 2.521 ( -7.615 -3.194 1.747) 8.441 2.659 ( 7.516 -5.312 3.657) 9.903 2.910 ( 5.841 -6.533 1.373) 8.871 3.106 ( -2.686 -15.637 -7.313) 17.470 3.121 ( 0.096 -5.334 -7.306) 9.047 3.279 ( -0.099 -1.852 -8.995) 9.184 3.322 ( 0.725 -4.194 -6.731) 7.964 3.692 ( -1.840 6.930 3.304) 7.895 3.735 ( -4.720 3.860 -1.690) 6.327 3.932 ( 3.975 -0.369 8.030) 8.968 4.128 ( 1.800 3.311 -0.456) 3.796 4.337 ( -5.052 2.489 2.003) 5.977 4.357 ( -3.853 0.599 0.159) 3.902 4.631 ( -1.151 0.353 0.034) 1.205 4.641 ( -4.043 3.009 2.315) 5.546 4.705 ( 1.130 -2.558 -1.396) 3.126 4.943 ( -1.714 8.322 -10.577) 13.567 5.217 ( -4.995 -2.989 6.973) 9.083 5.405 ( 1.234 -5.303 2.590) 6.029 5.523 ( 0.356 2.515 6.421) 6.905 5.674 ( -2.071 1.812 -4.567) 5.332 5.729 ( 1.734 8.053 1.780) 8.427 5.882 ( 0.386 0.993 -2.787) 2.983 6.007 ( -1.163 -0.761 2.884) 3.202 6.083 ( -1.475 4.097 -3.477) 5.573 7.636 ( 4.342 -1.591 2.821) 5.417 7.652 ( -1.559 -1.480 -1.075) 2.404 7.827 ( 3.154 0.847 3.999) 5.163 7.936 ( -0.630 0.619 -4.189) 4.281 8.840 ( -1.700 5.581 2.635) 6.401 8.928 ( -2.275 5.622 -2.901) 6.723 8.972 ( 1.553 1.281 0.710) 2.134 9.013 ( 7.131 2.381 0.443) 7.532 9.383 ( -2.947 -0.463 2.151) 3.678 9.437 ( -0.508 -4.419 0.752) 4.511 9.596 ( -7.444 5.574 -4.109) 10.167 9.696 ( 11.042 1.135 2.224) 11.321 9.860 ( 3.423 -2.513 4.375) 6.097 9.919 ( -6.058 -2.652 -4.326) 7.902 10.313 ( -3.396 4.199 3.479) 6.424 10.503 ( 2.225 3.378 -3.988) 5.680 11.130 ( -3.280 -3.500 2.338) 5.336 11.224 ( -3.848 -0.897 -4.544) 6.022 11.421 ( 2.778 3.946 2.366) 5.375 11.517 ( 5.654 -1.566 -1.911) 6.170 11.715 ( 1.320 -0.439 4.963) 5.154 11.767 ( 1.364 -0.172 0.037) 1.375 12.329 ( -1.979 5.862 5.743) 8.442 12.395 ( 1.260 1.627 2.396) 3.158 12.447 ( 1.022 7.605 0.662) 7.702 12.565 ( 2.357 1.624 1.189) 3.099 12.767 ( 3.721 0.164 -5.658) 6.774 12.879 ( -3.298 -1.176 -8.560) 9.249 13.344 ( -5.607 0.394 -0.172) 5.624 13.457 ( 3.539 -3.723 -2.227) 5.599 13.729 ( -1.423 -4.996 4.649) 6.972 13.768 ( -2.502 -1.007 1.172) 2.941 14.529 ( -3.300 6.015 -2.897) 7.447 14.562 ( 7.125 5.772 0.684) 9.195 14.931 ( 0.552 -8.780 4.057) 9.688 15.020 ( -1.448 -8.922 -3.161) 9.575 15.269 ( -3.881 -6.417 1.164) 7.589 15.417 ( 5.891 -9.821 -2.312) 11.684 15.556 ( -12.270 -2.404 -2.323) 12.717 15.795 ( 13.246 -9.081 -5.092) 16.848 16.508 ( -1.871 4.986 2.993) 6.109 16.590 ( -1.265 0.323 -2.252) 2.603 16.892 ( -2.049 -0.217 0.174) 2.068 16.959 ( 2.104 -1.861 -2.034) 3.468 17.253 ( -6.600 -2.241 0.764) 7.012 17.297 ( 5.765 -2.109 3.961) 7.306 19.601 ( 5.164 -2.143 1.407) 5.766 19.671 ( -0.261 -3.037 -6.215) 6.922 20.867 ( -1.182 10.845 3.294) 11.396 20.985 ( 0.888 8.196 -2.724) 8.682 21.978 ( -6.447 -10.734 2.632) 12.795 22.129 ( 4.064 -10.834 -2.185) 11.775 23.127 ( -2.364 6.353 3.371) 7.570 23.283 ( 2.560 4.243 -3.373) 5.994 26.945 ( 0.037 -11.354 1.435) 11.445 27.029 ( -1.839 -18.802 -5.410) 19.651 29.260 ( -2.429 18.426 1.217) 18.625 29.339 ( 5.933 15.695 0.691) 16.793 30.444 ( -4.506 -10.250 4.935) 12.236 30.586 ( -2.135 -5.102 -3.922) 6.780 30.663 ( -11.740 -6.248 1.197) 13.352 30.980 ( 7.189 -2.941 -4.635) 9.045 31.276 ( -8.363 -2.316 -1.481) 8.803 31.624 ( 26.364 1.538 -2.918) 26.570 31.779 ( -0.382 10.010 -0.314) 10.022 31.855 ( 17.372 0.936 -2.662) 17.599 32.456 ( 9.660 -7.592 2.485) 12.536 32.511 ( 0.839 -9.559 -1.565) 9.722 33.318 ( -3.936 1.890 4.462) 6.243 33.618 ( 4.329 3.119 -8.325) 9.888 35.276 ( -1.479 -1.019 2.883) 3.397 35.330 ( 0.984 -0.593 0.895) 1.457 35.486 ( -0.803 -1.637 5.540) 5.832 35.586 ( -0.483 3.565 -0.384) 3.618 35.836 ( -4.241 0.001 -4.209) 5.975 35.864 ( 0.812 -10.175 -4.290) 11.072 37.463 ( -41.677 13.195 9.219) 44.677 38.017 ( 20.867 9.270 0.172) 22.834 ======================= Grid point 135 (60/114) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( 4.161 -9.300 6.444) 12.055 1.777 ( 2.721 -9.019 12.666) 15.786 1.958 ( 11.295 -4.154 -8.681) 14.839 2.126 ( 7.638 2.615 -6.291) 10.234 2.550 ( 0.865 -1.838 5.926) 6.265 2.651 ( 1.735 -3.941 3.071) 5.289 2.921 ( 3.216 -0.974 -0.559) 3.407 2.961 ( -0.942 -6.465 -9.804) 11.781 3.123 ( -1.194 -4.067 3.366) 5.413 3.302 ( 2.850 -8.892 -1.426) 9.446 3.360 ( -1.074 -5.551 -7.113) 9.086 3.420 ( 2.051 -9.673 -1.687) 10.031 3.530 ( -3.096 8.154 1.979) 8.943 3.624 ( -0.366 6.330 0.359) 6.351 3.977 ( -3.092 2.857 -3.541) 5.501 4.064 ( 7.526 1.945 2.740) 8.242 4.252 ( -7.640 2.863 2.020) 8.405 4.344 ( 1.856 3.319 7.788) 8.667 4.517 ( -12.009 2.127 -2.937) 12.545 4.638 ( -3.343 -4.194 2.348) 5.855 4.762 ( 1.610 2.872 -6.711) 7.475 4.817 ( 3.656 -3.103 0.243) 4.801 5.204 ( -9.387 1.784 1.733) 9.711 5.472 ( -4.085 5.206 3.633) 7.549 5.506 ( 1.478 -2.940 -1.621) 3.668 5.615 ( 2.814 9.501 4.971) 11.085 5.647 ( 3.152 -2.904 -2.272) 4.851 5.830 ( 6.383 4.218 -3.680) 8.490 5.965 ( -7.139 0.843 -2.128) 7.497 6.033 ( -0.503 1.637 4.367) 4.691 7.643 ( -2.009 -0.584 -2.395) 3.180 7.720 ( 4.628 -0.939 2.690) 5.434 7.838 ( 1.161 2.051 1.343) 2.713 7.928 ( 2.870 -1.313 -1.588) 3.533 8.748 ( -1.119 4.176 1.815) 4.689 8.800 ( -1.686 3.493 -2.973) 4.887 8.951 ( 2.486 2.712 0.269) 3.688 9.002 ( 5.702 4.698 0.621) 7.414 9.353 ( -4.821 2.871 0.033) 5.611 9.420 ( -6.197 4.470 0.133) 7.642 9.523 ( 3.150 -2.627 0.789) 4.176 9.696 ( 7.363 5.659 -2.775) 9.692 9.926 ( -4.956 -4.020 -2.062) 6.706 9.976 ( 1.344 -3.906 4.281) 5.949 10.226 ( -1.497 6.125 5.564) 8.409 10.440 ( 4.099 4.558 -2.916) 6.788 11.162 ( -4.891 -4.042 -0.537) 6.368 11.262 ( -1.311 -5.579 0.968) 5.812 11.402 ( 4.080 3.257 4.210) 6.707 11.573 ( 6.046 -0.356 -2.364) 6.502 11.720 ( -1.219 0.135 0.862) 1.498 11.829 ( 5.592 -2.394 0.291) 6.090 12.220 ( -2.724 5.498 2.532) 6.638 12.300 ( -0.305 7.609 -1.670) 7.796 12.403 ( 0.852 1.223 2.828) 3.197 12.532 ( 1.065 1.854 -3.084) 3.753 12.748 ( -0.387 2.561 0.360) 2.615 12.819 ( -3.133 0.301 -6.438) 7.166 13.303 ( -5.351 -0.851 0.780) 5.474 13.527 ( 6.568 -1.242 -0.254) 6.690 13.782 ( -9.134 -5.603 -1.172) 10.779 13.890 ( 1.043 -7.801 5.285) 9.480 14.349 ( -5.828 5.650 -6.610) 10.468 14.499 ( 8.562 9.144 1.807) 12.657 15.123 ( 1.402 -7.538 3.832) 8.572 15.133 ( -2.513 -7.208 -2.331) 7.982 15.385 ( -3.674 -9.296 0.561) 10.012 15.547 ( -11.719 -7.429 -3.733) 14.369 15.603 ( 5.868 -4.466 0.395) 7.385 15.973 ( 11.256 -4.817 0.068) 12.243 16.433 ( -3.586 1.799 4.071) 5.716 16.525 ( -6.262 1.090 -6.939) 9.410 16.897 ( -1.118 -1.448 0.214) 1.842 17.024 ( 3.586 -4.337 -2.439) 6.133 17.250 ( -4.965 -1.635 0.568) 5.258 17.381 ( 3.547 -1.135 2.489) 4.480 19.701 ( 4.404 -4.304 1.051) 6.247 19.759 ( 3.888 -8.730 -5.356) 10.955 20.659 ( -2.229 13.004 3.758) 13.719 20.797 ( 1.953 11.651 -3.076) 12.207 22.176 ( -5.666 -14.198 3.137) 15.605 22.364 ( 3.050 -13.088 -2.376) 13.647 22.990 ( -3.034 8.922 4.408) 10.404 23.181 ( 3.499 7.545 -3.141) 8.890 27.249 ( 0.526 -20.161 5.080) 20.798 27.335 ( -3.656 -21.842 -8.321) 23.658 28.842 ( -5.808 22.691 -2.067) 23.514 29.085 ( 11.351 21.136 1.401) 24.032 30.596 ( -2.071 -6.146 2.686) 7.020 30.662 ( -2.060 -6.843 -2.675) 7.630 30.758 ( -15.603 -15.951 0.346) 22.316 31.089 ( 3.564 -5.801 1.573) 6.988 31.243 ( -4.601 -0.447 -2.272) 5.151 31.577 ( -3.012 8.537 0.418) 9.062 31.583 ( 5.772 11.798 -1.401) 13.209 32.033 ( 28.034 -0.202 -11.296) 30.225 32.672 ( 8.988 -6.858 0.254) 11.309 32.699 ( 2.276 -11.516 -2.230) 11.948 33.263 ( -5.116 3.645 5.128) 8.109 33.525 ( 3.258 5.526 -7.175) 9.624 35.301 ( -1.923 -1.448 1.965) 3.108 35.351 ( 0.134 -1.100 -0.236) 1.133 35.531 ( -1.052 -0.580 4.052) 4.226 35.551 ( 0.420 0.907 1.938) 2.181 35.830 ( -3.413 -3.446 2.986) 5.696 36.024 ( 0.595 -9.607 -4.895) 10.799 37.042 ( -30.241 8.594 10.337) 33.094 37.915 ( 17.382 17.648 -1.708) 24.829 ======================= Grid point 136 (61/114) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -2.871 -8.151 -5.631) 10.315 2.016 ( 3.611 -9.373 5.696) 11.547 2.060 ( 4.081 -3.597 -8.821) 10.363 2.239 ( 7.952 -11.616 0.049) 14.077 2.559 ( -4.688 3.640 -7.921) 9.898 2.687 ( 4.669 1.803 8.696) 10.034 2.859 ( -3.931 1.376 -6.519) 7.736 3.007 ( 5.691 -0.620 5.315) 7.812 3.229 ( -3.000 -4.161 -3.387) 6.147 3.330 ( -2.133 -1.041 -7.785) 8.139 3.339 ( -2.282 6.237 8.646) 10.902 3.506 ( 1.069 2.363 -0.983) 2.774 3.527 ( 12.845 -2.615 -2.617) 13.367 3.613 ( 3.337 -2.594 1.109) 4.370 3.843 ( -4.642 4.443 -2.613) 6.937 4.100 ( -2.905 2.069 -7.272) 8.099 4.205 ( 6.630 -2.669 6.345) 9.557 4.332 ( -7.970 5.118 -1.093) 9.534 4.381 ( -3.465 0.979 8.381) 9.121 4.678 ( -0.296 0.797 -6.038) 6.098 4.719 ( -2.871 -0.753 -2.864) 4.125 4.922 ( 2.438 -3.303 5.359) 6.751 5.069 ( -8.379 3.062 -1.366) 9.025 5.396 ( -3.471 2.206 3.102) 5.151 5.468 ( 4.008 4.314 -0.033) 5.888 5.556 ( -1.531 -0.098 -0.878) 1.768 5.724 ( 3.949 -2.433 -1.402) 4.846 5.839 ( 2.828 -0.403 -1.141) 3.076 5.934 ( -0.715 -0.720 3.633) 3.772 6.007 ( -2.263 1.140 2.609) 3.637 7.613 ( -3.373 -0.325 -3.838) 5.120 7.723 ( -0.611 1.628 -1.939) 2.605 7.817 ( -1.844 0.826 1.953) 2.810 8.029 ( 9.060 -3.869 3.298) 10.389 8.687 ( -2.071 0.873 -1.287) 2.589 8.780 ( 1.512 -0.340 0.689) 1.696 8.935 ( 3.061 1.384 -0.018) 3.359 8.955 ( 2.437 3.552 0.382) 4.325 9.231 ( -2.544 5.496 0.991) 6.137 9.339 ( -1.871 3.444 1.330) 4.139 9.559 ( 2.244 1.807 -2.561) 3.854 9.667 ( 3.514 -0.706 1.446) 3.865 9.892 ( -5.341 1.650 -5.081) 7.554 10.045 ( 0.550 -0.455 2.700) 2.793 10.161 ( -3.236 2.067 5.581) 6.775 10.358 ( 3.947 5.737 -4.439) 8.258 11.214 ( -2.718 -4.515 0.874) 5.343 11.354 ( -2.881 -4.934 1.408) 5.885 11.407 ( 4.501 2.674 5.088) 7.301 11.573 ( 2.814 2.812 -1.512) 4.256 11.712 ( -0.656 0.132 -1.398) 1.549 11.899 ( 4.463 0.876 -2.386) 5.136 12.167 ( 1.341 0.509 1.577) 2.132 12.192 ( -0.040 1.269 -1.315) 1.828 12.396 ( -1.044 0.827 0.843) 1.576 12.522 ( 1.470 -2.309 -3.103) 4.138 12.655 ( -2.832 5.643 1.831) 6.573 12.752 ( -0.972 3.985 -2.059) 4.589 13.333 ( -1.879 -5.162 2.626) 6.089 13.624 ( 8.289 -2.592 1.202) 8.767 13.793 ( -12.097 -5.858 -4.011) 14.027 13.933 ( -4.231 5.124 1.377) 6.787 14.228 ( -0.464 3.157 -7.151) 7.830 14.457 ( 5.973 0.006 3.740) 7.047 15.176 ( -4.190 -4.375 -2.255) 6.464 15.291 ( -0.064 -4.483 5.030) 6.738 15.407 ( -2.213 2.185 -3.750) 4.871 15.591 ( 2.955 -1.607 3.415) 4.793 15.717 ( -1.833 -7.356 0.920) 7.636 16.143 ( 6.429 -4.565 0.697) 7.915 16.373 ( -8.746 4.874 -8.243) 12.969 16.480 ( 1.314 -4.964 5.609) 7.605 16.918 ( -0.695 -1.706 -0.623) 1.945 17.116 ( 3.706 -3.424 -1.695) 5.323 17.241 ( -3.926 -0.717 0.945) 4.101 17.422 ( 1.338 -0.593 1.194) 1.889 19.836 ( 2.589 -7.480 0.581) 7.936 19.953 ( 5.239 -11.354 -4.258) 13.209 20.431 ( -3.291 12.156 3.257) 13.009 20.590 ( 2.060 11.263 -3.236) 11.898 22.409 ( -4.197 -14.128 3.260) 15.094 22.578 ( 1.841 -9.349 -2.345) 9.813 22.832 ( -2.840 7.956 4.059) 9.373 23.036 ( 3.560 10.114 -2.643) 11.043 27.638 ( -3.549 -21.437 -5.352) 22.378 27.695 ( 0.141 -23.989 6.647) 24.893 28.383 ( -4.465 23.347 -2.211) 23.872 28.806 ( 12.589 20.332 -0.637) 23.923 30.700 ( -4.155 -7.553 1.824) 8.811 30.754 ( -4.134 -6.887 -1.006) 8.095 30.932 ( -7.502 -13.010 -2.003) 15.151 31.179 ( -0.638 0.532 -0.813) 1.163 31.230 ( 1.793 -0.328 2.134) 2.806 31.398 ( 2.216 10.153 -1.667) 10.524 31.415 ( -4.797 5.703 0.712) 7.486 32.111 ( 21.097 4.734 -12.270) 24.860 32.826 ( 4.428 -4.961 0.095) 6.650 32.917 ( 4.520 -11.045 -1.774) 12.065 33.168 ( -6.219 4.990 3.863) 8.860 33.399 ( 1.636 6.936 -4.703) 8.538 35.313 ( -2.450 -0.801 1.174) 2.832 35.367 ( -0.759 -1.141 -0.794) 1.584 35.525 ( 0.481 2.446 3.950) 4.671 35.586 ( 1.268 -2.230 0.924) 2.726 35.927 ( -5.577 -6.379 9.870) 13.008 36.122 ( -3.144 -2.989 0.942) 4.439 36.859 ( -14.065 -4.009 1.069) 14.664 37.672 ( 12.772 19.730 -4.193) 23.875 ======================= Grid point 137 (62/114) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( -10.607 4.173 -9.261) 14.686 2.058 ( -1.557 5.944 -6.034) 8.612 2.137 ( -0.127 -1.734 -1.411) 2.239 2.395 ( 1.881 1.451 1.433) 2.774 2.571 ( 0.968 -13.562 -2.732) 13.868 2.653 ( 1.021 6.099 0.967) 6.259 2.826 ( -0.788 0.489 -0.946) 1.325 3.029 ( -3.601 2.947 3.882) 6.060 3.252 ( 6.884 -1.814 -4.568) 8.459 3.280 ( 0.282 5.355 7.071) 8.875 3.304 ( 0.951 3.457 3.129) 4.759 3.445 ( 4.368 4.448 -6.064) 8.697 3.528 ( -0.522 8.419 1.448) 8.558 3.683 ( -1.009 1.478 -1.040) 2.070 3.817 ( 9.433 -5.992 5.842) 12.610 4.028 ( -1.552 -4.192 -8.621) 9.711 4.124 ( -12.271 4.670 -2.898) 13.445 4.381 ( 5.693 -5.625 2.973) 8.538 4.438 ( 3.455 0.077 5.706) 6.671 4.621 ( -0.132 -0.011 -8.583) 8.584 4.671 ( 1.952 1.022 5.146) 5.597 4.969 ( 0.010 2.513 1.927) 3.166 5.023 ( -4.101 -4.994 -5.112) 8.240 5.368 ( -2.539 0.016 3.414) 4.255 5.497 ( 2.580 -1.153 1.552) 3.224 5.546 ( 0.944 -0.699 -2.129) 2.432 5.751 ( -6.456 -1.545 -0.211) 6.641 5.832 ( 2.186 2.013 -1.367) 3.271 5.897 ( -2.220 5.244 5.765) 8.103 6.096 ( 5.210 -6.096 -0.206) 8.021 7.566 ( -5.118 -0.722 -3.596) 6.297 7.695 ( -0.901 -0.537 -2.002) 2.260 7.806 ( -1.421 -0.082 2.092) 2.530 8.164 ( 6.553 -1.082 2.494) 7.095 8.687 ( -1.938 -2.660 0.376) 3.313 8.781 ( 0.470 0.819 -1.743) 1.983 8.935 ( -0.948 -0.168 0.139) 0.973 8.951 ( 2.226 -0.551 -0.008) 2.293 9.162 ( 0.553 3.036 4.057) 5.097 9.288 ( -0.421 0.769 -0.254) 0.913 9.529 ( 2.058 2.286 0.579) 3.130 9.743 ( 0.251 -2.377 0.352) 2.416 9.777 ( -1.431 1.158 -4.396) 4.766 10.028 ( 1.931 4.441 3.009) 5.702 10.163 ( -5.491 -2.650 1.933) 6.396 10.278 ( 2.413 1.821 -4.013) 5.024 11.265 ( -2.331 -2.217 1.400) 3.508 11.374 ( -3.458 0.281 2.868) 4.501 11.461 ( 3.876 -1.647 3.100) 5.230 11.525 ( 0.928 2.893 -0.207) 3.046 11.673 ( -0.413 3.301 -1.784) 3.775 11.812 ( -1.534 5.535 -2.671) 6.334 12.217 ( 1.884 -1.328 1.213) 2.605 12.245 ( 5.034 -4.114 -0.232) 6.505 12.356 ( -2.316 2.787 -2.060) 4.169 12.547 ( -0.289 6.287 3.882) 7.395 12.605 ( 0.848 -5.008 -2.315) 5.582 12.702 ( 0.303 -4.095 -1.920) 4.533 13.467 ( 2.157 -6.178 4.504) 7.944 13.685 ( 4.102 5.222 0.080) 6.641 13.756 ( -7.768 -0.878 -2.735) 8.282 13.811 ( -2.670 0.251 -1.713) 3.182 14.100 ( -1.800 5.875 -2.475) 6.624 14.567 ( 0.651 -4.315 0.080) 4.365 15.191 ( -1.071 1.301 -3.827) 4.182 15.252 ( -3.054 -0.234 -0.175) 3.068 15.451 ( 3.594 -1.689 6.267) 7.419 15.630 ( 5.902 3.049 3.795) 7.651 15.855 ( -3.732 -9.253 -1.516) 10.091 16.152 ( -7.248 6.669 -6.398) 11.745 16.178 ( -1.382 4.760 4.447) 6.659 16.659 ( 8.934 -8.118 -0.411) 12.078 16.933 ( 0.079 -0.679 -1.479) 1.629 17.159 ( 3.187 0.947 -0.410) 3.350 17.231 ( -3.866 -0.895 0.625) 4.018 17.439 ( -0.316 -0.071 0.520) 0.612 19.986 ( 1.711 -6.075 -1.617) 6.515 20.081 ( 0.252 4.116 -0.641) 4.174 20.317 ( 0.542 -6.168 -0.257) 6.198 20.417 ( 0.848 6.470 -1.902) 6.797 22.557 ( -2.746 8.558 4.230) 9.934 22.641 ( -1.355 -8.701 2.849) 9.255 22.809 ( 2.162 1.707 -3.385) 4.364 22.893 ( 1.576 -0.581 -1.120) 2.019 27.928 ( -2.567 18.486 -0.408) 18.668 27.962 ( -1.714 -14.783 -3.505) 15.289 28.155 ( -1.287 -22.743 7.057) 23.847 28.566 ( 11.878 14.969 -5.233) 19.813 30.781 ( -3.282 0.904 0.541) 3.447 30.822 ( -4.112 -7.114 0.903) 8.267 31.030 ( 0.292 0.665 -4.735) 4.791 31.139 ( 1.198 4.749 -1.501) 5.122 31.191 ( -2.966 1.905 -1.587) 3.866 31.234 ( -1.310 -2.648 -2.757) 4.041 31.422 ( -3.044 -0.690 10.588) 11.038 32.057 ( 14.722 8.595 -12.279) 21.009 32.884 ( -0.353 2.947 1.649) 3.396 33.052 ( -2.932 2.174 0.423) 3.674 33.133 ( 4.324 -7.667 -1.878) 9.001 33.275 ( -0.214 3.682 -1.528) 3.992 35.307 ( -2.011 0.305 1.233) 2.378 35.367 ( -1.077 -0.161 -0.851) 1.382 35.507 ( 0.907 2.768 4.139) 5.061 35.638 ( -0.279 -2.158 0.193) 2.184 36.009 ( -8.320 -0.393 8.520) 11.914 36.144 ( -4.679 -3.209 8.480) 10.203 36.968 ( 0.716 -14.506 -7.878) 16.522 37.416 ( 7.163 14.063 -2.769) 16.023 ======================= Grid point 138 (63/114) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.477 ( -7.933 10.705 0.925) 13.356 1.795 ( -8.860 14.937 7.849) 19.058 2.125 ( -4.575 -1.092 -9.549) 10.645 2.408 ( 2.200 3.034 1.512) 4.041 2.506 ( -3.416 3.212 -8.242) 9.482 2.628 ( 1.998 14.934 7.215) 16.705 2.749 ( 1.245 6.004 -4.554) 7.638 2.970 ( 0.675 21.936 13.123) 25.571 3.089 ( -0.748 -6.866 1.681) 7.108 3.230 ( -1.563 2.519 1.182) 3.192 3.349 ( -1.048 2.027 -0.658) 2.376 3.421 ( 3.814 -6.744 1.975) 7.996 3.554 ( 3.628 1.174 0.801) 3.897 3.643 ( 3.374 -2.763 -2.493) 5.023 3.902 ( -4.117 -0.265 -1.772) 4.490 4.029 ( -2.598 -3.827 -4.101) 6.182 4.221 ( 10.860 -8.800 1.253) 14.033 4.448 ( 3.630 -0.146 -5.824) 6.864 4.491 ( -1.457 -5.411 0.740) 5.652 4.587 ( -0.313 -0.778 -5.529) 5.592 4.849 ( 10.289 -7.302 9.333) 15.694 4.941 ( -2.059 -1.753 -2.573) 3.732 5.039 ( 0.559 0.015 -1.582) 1.678 5.367 ( -2.736 0.701 1.941) 3.427 5.494 ( 0.964 3.117 -0.220) 3.270 5.594 ( 3.837 -2.438 0.431) 4.567 5.679 ( -10.259 1.984 2.187) 10.676 5.752 ( -0.509 4.868 -0.469) 4.917 5.877 ( 0.024 -0.854 0.848) 1.204 6.210 ( 3.932 -2.827 -1.771) 5.156 7.534 ( -4.602 -1.346 -1.173) 4.936 7.692 ( -1.309 -1.310 -2.249) 2.913 7.832 ( 0.790 -1.722 2.736) 3.328 8.163 ( -0.849 3.868 -1.594) 4.269 8.742 ( -0.800 -3.125 3.092) 4.469 8.772 ( -0.660 -2.134 -3.217) 3.916 8.924 ( -2.272 0.369 0.497) 2.355 8.973 ( -1.044 -1.790 -1.073) 2.334 9.178 ( 0.858 -0.936 6.332) 6.458 9.321 ( 2.119 -3.527 0.149) 4.117 9.491 ( 1.414 2.503 -0.880) 3.006 9.691 ( -0.443 3.647 -1.791) 4.087 9.831 ( -0.175 -2.923 -2.292) 3.718 10.044 ( 3.487 -3.358 6.567) 8.159 10.156 ( -5.330 -0.629 1.042) 5.468 10.325 ( 2.420 -6.480 -2.605) 7.392 11.268 ( -1.598 0.630 0.066) 1.719 11.357 ( -3.779 0.164 3.097) 4.888 11.485 ( 5.967 3.325 -1.463) 6.986 11.532 ( -3.938 -1.050 4.945) 6.408 11.582 ( -0.854 2.644 -0.754) 2.879 11.730 ( 0.232 2.541 2.217) 3.380 12.194 ( -1.786 9.313 1.268) 9.568 12.275 ( 0.039 -1.471 -1.596) 2.171 12.340 ( 0.279 -5.038 -3.444) 6.109 12.488 ( 2.407 3.105 4.005) 5.611 12.702 ( 1.100 -7.434 -5.482) 9.302 12.848 ( 2.485 -9.038 -1.411) 9.479 13.520 ( 2.879 6.799 -1.743) 7.587 13.585 ( -3.488 1.833 3.085) 5.004 13.752 ( -1.084 -2.729 -1.971) 3.536 13.824 ( 4.185 -0.170 3.366) 5.374 13.989 ( -3.829 3.075 -0.175) 4.914 14.583 ( -2.313 0.226 -1.016) 2.536 15.088 ( 0.523 6.140 0.379) 6.174 15.332 ( 0.537 -7.383 -2.230) 7.732 15.518 ( 6.324 2.960 2.272) 7.343 15.578 ( 2.277 9.863 -0.487) 10.134 15.849 ( -10.240 -1.097 -2.232) 10.538 15.991 ( -4.230 9.288 4.168) 11.024 16.178 ( 3.015 -6.677 1.572) 7.493 16.836 ( 11.869 -3.462 -6.895) 14.156 16.927 ( 1.390 0.759 -1.618) 2.264 17.133 ( -0.119 2.940 -1.137) 3.155 17.209 ( -1.774 1.553 1.065) 2.587 17.410 ( -1.932 2.620 -0.096) 3.257 19.889 ( -3.877 9.904 -0.543) 10.650 19.995 ( 2.023 5.619 -6.356) 8.721 20.434 ( -1.712 -8.238 3.222) 9.010 20.540 ( 3.078 -14.167 -2.144) 14.655 22.367 ( -2.264 12.509 7.260) 14.639 22.558 ( 3.228 13.568 -3.919) 14.487 22.894 ( -2.011 -10.353 3.338) 11.062 23.035 ( 2.127 -9.600 -3.318) 10.377 27.516 ( -1.542 21.435 0.415) 21.494 28.171 ( 15.321 10.294 -5.984) 19.404 28.397 ( -3.466 -14.200 -7.843) 16.588 28.623 ( -4.091 -21.240 4.419) 22.077 30.649 ( -2.451 10.656 -0.855) 10.967 30.826 ( 0.381 6.165 -2.894) 6.821 30.903 ( 2.683 8.504 -2.580) 9.283 31.050 ( -1.700 -0.248 4.793) 5.092 31.302 ( 1.014 -7.212 0.874) 7.335 31.331 ( -1.067 -8.620 -0.903) 8.733 31.441 ( -5.838 -0.216 8.317) 10.164 31.907 ( 9.323 10.931 -10.783) 17.963 32.742 ( -3.681 10.240 2.098) 11.082 32.950 ( -1.411 8.602 -1.692) 8.880 33.206 ( -0.489 -2.812 2.232) 3.624 33.369 ( 5.108 -8.861 -3.393) 10.776 35.289 ( -1.434 1.183 1.745) 2.550 35.348 ( -0.558 1.104 -0.554) 1.356 35.490 ( 0.575 2.361 4.373) 5.003 35.637 ( -4.114 0.733 0.411) 4.199 35.977 ( -4.324 0.151 3.068) 5.304 36.203 ( -2.530 0.372 4.374) 5.066 37.210 ( 8.878 -10.954 -11.491) 18.189 37.348 ( -3.010 -7.838 8.126) 11.685 ======================= Grid point 139 (64/114) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.260 ( -2.734 14.527 15.465) 21.393 1.517 ( -11.424 15.873 15.649) 25.047 1.999 ( -9.525 2.733 -9.154) 13.491 2.268 ( 5.905 12.687 0.820) 14.018 2.317 ( -8.740 16.075 11.122) 21.413 2.495 ( 1.068 0.141 -0.441) 1.164 2.593 ( 3.029 1.421 6.274) 7.111 2.796 ( 3.598 14.383 12.100) 19.137 3.208 ( -0.017 -0.071 0.801) 0.804 3.268 ( 5.773 -3.862 -3.017) 7.573 3.324 ( 0.488 -1.949 1.818) 2.709 3.513 ( 0.521 -1.975 -5.088) 5.482 3.546 ( 1.444 -0.011 -0.911) 1.707 3.725 ( 3.335 -2.897 -3.469) 5.617 3.881 ( -0.983 -0.971 -1.643) 2.147 4.089 ( -2.777 -6.083 -4.252) 7.924 4.341 ( 4.712 -1.646 -4.745) 6.886 4.450 ( -1.064 -0.796 -1.374) 1.912 4.548 ( 3.188 1.376 -3.705) 5.078 4.624 ( 1.347 -5.245 -3.892) 6.669 4.942 ( -2.416 -3.078 -5.234) 6.535 4.975 ( 0.565 2.030 -1.789) 2.764 5.162 ( 10.913 -7.567 7.522) 15.262 5.298 ( -3.278 4.596 1.975) 5.981 5.427 ( -1.641 4.527 4.645) 6.690 5.580 ( -5.026 0.448 3.806) 6.320 5.707 ( 1.338 -1.995 -2.143) 3.219 5.733 ( 4.564 -4.118 3.577) 7.112 5.916 ( -0.762 -4.030 -0.430) 4.124 6.229 ( 0.041 0.772 -2.685) 2.794 7.522 ( -2.333 0.012 1.423) 2.733 7.706 ( -1.676 -2.733 -0.863) 3.320 7.907 ( 0.773 -4.028 2.484) 4.795 8.022 ( -7.243 5.465 -4.924) 10.324 8.783 ( -0.399 -1.413 -0.951) 1.750 8.835 ( 0.283 -5.656 -0.105) 5.664 8.905 ( -0.685 0.703 2.837) 3.001 8.992 ( -3.670 -2.455 0.238) 4.422 9.268 ( 1.990 -2.951 8.028) 8.782 9.419 ( 6.002 -2.326 0.319) 6.445 9.495 ( 4.374 -1.251 -1.488) 4.786 9.587 ( -2.126 4.131 -0.016) 4.646 9.862 ( -3.372 -2.610 0.609) 4.308 10.104 ( -1.536 1.062 -2.762) 3.334 10.225 ( -4.507 -8.878 6.603) 11.948 10.473 ( 2.441 -9.003 -3.980) 10.142 11.223 ( 0.865 3.224 -2.837) 4.381 11.347 ( -1.772 0.705 2.254) 2.953 11.420 ( -1.898 3.916 -1.255) 4.529 11.531 ( -3.992 -3.203 0.919) 5.200 11.601 ( 3.179 1.611 5.299) 6.386 11.732 ( -2.134 -0.224 4.739) 5.203 12.057 ( 0.672 3.537 5.185) 6.312 12.310 ( 1.923 -1.272 0.589) 2.379 12.394 ( -3.927 -5.660 -4.063) 7.998 12.485 ( 3.586 2.361 2.351) 4.895 12.792 ( 2.076 -4.479 -7.499) 8.978 12.984 ( 2.304 -4.997 -4.132) 6.881 13.410 ( 1.796 4.120 -1.337) 4.689 13.546 ( -4.420 1.477 1.082) 4.784 13.716 ( -1.164 1.168 -3.701) 4.051 13.840 ( 0.715 6.661 5.672) 8.779 14.057 ( 8.846 -7.473 6.916) 13.488 14.557 ( -2.213 -0.404 -0.193) 2.258 15.002 ( 0.611 6.221 3.650) 7.239 15.311 ( -2.916 13.417 -4.542) 14.462 15.416 ( 4.763 2.953 -2.691) 6.217 15.481 ( 4.383 3.524 -2.060) 5.990 15.673 ( -4.382 12.700 -0.002) 13.435 15.993 ( -4.671 -7.175 1.875) 8.765 16.344 ( 3.314 -6.790 1.551) 7.713 16.796 ( 10.702 11.825 -15.981) 22.578 16.922 ( 3.876 1.137 -1.337) 4.255 17.035 ( -4.063 4.096 -2.151) 6.158 17.178 ( 2.534 3.227 2.772) 4.952 17.351 ( -3.773 1.526 3.347) 5.269 19.696 ( -3.707 7.711 -1.218) 8.642 19.860 ( -0.617 4.335 -6.134) 7.536 20.635 ( -2.139 -12.417 3.839) 13.172 20.796 ( 2.230 -13.626 -2.480) 14.028 22.183 ( -1.686 11.300 7.722) 13.789 22.312 ( 3.909 14.371 -3.350) 15.265 23.056 ( -3.750 -8.059 2.346) 9.193 23.187 ( 2.314 -7.743 -4.086) 9.055 27.170 ( -0.345 17.078 1.066) 17.115 27.792 ( 8.045 28.625 -23.082) 37.642 28.727 ( 0.736 -21.893 1.255) 21.942 29.006 ( -4.122 -22.068 4.246) 22.847 30.428 ( 5.227 14.097 4.836) 15.793 30.698 ( 3.401 6.992 -1.694) 7.958 30.774 ( 4.621 8.059 -1.434) 9.400 31.040 ( -1.708 7.819 9.107) 12.124 31.313 ( -3.402 3.475 0.361) 4.877 31.465 ( -3.100 -9.824 -0.863) 10.337 31.576 ( 0.310 -11.599 0.518) 11.615 31.725 ( 4.412 9.353 -3.207) 10.828 32.535 ( -2.577 11.593 2.966) 12.241 32.741 ( -1.682 12.158 -0.707) 12.294 33.275 ( -1.512 -3.639 2.556) 4.697 33.528 ( 5.719 -6.728 -4.894) 10.096 35.268 ( -1.083 1.267 2.511) 3.014 35.320 ( 0.274 1.582 -0.004) 1.605 35.478 ( -0.800 2.471 5.318) 5.918 35.585 ( -3.334 0.320 -0.617) 3.405 35.973 ( -2.210 -1.117 -1.842) 3.086 36.113 ( 0.114 8.045 -3.671) 8.844 37.409 ( 7.541 -12.231 -3.078) 14.694 37.677 ( -9.411 -24.224 7.987) 27.188 ======================= Grid point 140 (65/114) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.098 ( -0.038 12.345 22.327) 25.512 1.288 ( -6.648 11.868 22.162) 26.004 1.863 ( -5.909 2.955 13.101) 14.673 2.078 ( -2.008 12.658 17.190) 21.442 2.324 ( 8.916 -7.218 5.004) 12.516 2.575 ( -1.003 -8.552 -4.911) 9.913 2.614 ( -5.276 4.326 0.506) 6.842 2.688 ( 11.254 4.044 9.169) 15.069 3.183 ( 1.001 3.618 -7.426) 8.321 3.231 ( -0.135 6.834 -3.212) 7.552 3.317 ( 1.009 8.715 -3.938) 9.617 3.442 ( -0.667 1.059 -9.941) 10.020 3.608 ( 3.093 -5.307 2.206) 6.527 3.774 ( 3.313 0.197 4.323) 5.450 3.892 ( -2.275 -4.854 -6.471) 8.403 4.141 ( -2.737 -3.189 -2.990) 5.158 4.361 ( 3.255 -0.245 -4.946) 5.926 4.452 ( -5.278 -2.898 1.214) 6.143 4.543 ( 8.100 1.257 -2.138) 8.471 4.625 ( -0.580 2.849 0.731) 2.998 4.837 ( -3.202 2.650 -5.009) 6.509 5.055 ( -1.577 -8.571 -7.691) 11.623 5.211 ( -4.656 2.193 6.898) 8.607 5.356 ( 0.463 4.031 2.680) 4.863 5.413 ( 6.178 -4.668 6.303) 9.984 5.610 ( 3.244 -1.637 2.555) 4.442 5.763 ( -0.834 -4.834 0.734) 4.960 5.869 ( 5.435 -2.233 2.207) 6.277 6.001 ( -1.555 -5.787 -0.492) 6.013 6.172 ( -3.074 1.603 -2.421) 4.228 7.519 ( 1.418 1.241 3.795) 4.237 7.729 ( -4.053 -1.484 -1.625) 4.612 7.855 ( -5.461 3.176 -3.350) 7.151 7.987 ( -4.079 -4.308 -0.004) 5.932 8.812 ( 1.467 -2.664 0.959) 3.189 8.917 ( 2.641 -1.500 0.734) 3.125 8.947 ( -1.232 -2.783 2.709) 4.075 9.006 ( -2.120 -2.367 -0.166) 3.182 9.374 ( 0.001 -2.200 7.248) 7.574 9.420 ( 2.247 3.978 -1.120) 4.704 9.507 ( 8.897 2.709 0.036) 9.301 9.656 ( 2.669 -6.154 2.312) 7.095 9.862 ( -7.086 -1.432 -0.235) 7.233 10.049 ( -4.070 -0.065 -5.251) 6.644 10.347 ( -5.849 -5.505 4.091) 9.014 10.582 ( -2.190 -5.980 -8.376) 10.522 11.122 ( 2.192 6.652 -1.780) 7.226 11.327 ( 0.428 -0.712 -4.420) 4.498 11.382 ( -2.421 -0.860 2.946) 3.909 11.544 ( -6.093 -1.640 -1.170) 6.418 11.616 ( 1.878 1.823 6.544) 7.048 11.758 ( -2.624 -2.558 2.521) 4.448 12.183 ( 8.038 -6.248 11.982) 15.723 12.349 ( 1.455 -0.804 1.549) 2.272 12.443 ( 0.889 -3.014 -2.924) 4.292 12.502 ( -0.862 -1.748 5.797) 6.116 12.794 ( 3.827 0.260 -10.226) 10.922 12.999 ( -0.632 -0.350 -7.104) 7.141 13.399 ( 1.602 -0.203 -0.360) 1.654 13.460 ( -2.278 3.964 -2.861) 5.393 13.700 ( -0.732 0.370 2.021) 2.181 13.765 ( -0.412 3.366 3.303) 4.734 14.358 ( 14.202 -11.327 8.308) 19.975 14.576 ( -0.657 -3.262 -0.689) 3.398 14.876 ( 0.425 10.174 3.768) 10.858 15.059 ( -0.668 11.839 -2.032) 12.031 15.308 ( 3.066 12.043 -5.026) 13.405 15.383 ( 5.173 9.300 -0.031) 10.642 15.468 ( 5.819 8.368 -1.585) 10.315 15.952 ( -10.002 5.130 -8.021) 13.809 16.470 ( 1.917 -4.365 2.719) 5.489 16.587 ( 5.032 5.722 -2.054) 7.892 16.927 ( 0.189 -0.142 -1.005) 1.032 16.952 ( 0.076 1.726 -2.028) 2.664 17.162 ( 5.237 3.610 3.715) 7.366 17.324 ( -5.295 0.693 3.566) 6.421 19.566 ( -0.929 3.931 -0.802) 4.118 19.781 ( -4.451 -0.450 -5.897) 7.402 20.851 ( -1.579 -10.761 2.997) 11.282 21.005 ( 0.706 -9.513 -2.743) 9.925 22.022 ( -3.028 8.620 3.650) 9.838 22.094 ( 4.201 11.245 -2.779) 12.321 23.148 ( -4.500 -5.011 2.250) 7.101 23.289 ( 2.155 -4.170 -3.730) 5.995 26.932 ( 0.087 10.030 0.702) 10.055 27.152 ( -0.248 29.067 -12.903) 31.803 29.142 ( 6.277 -18.486 4.109) 19.951 29.353 ( -3.018 -16.534 1.925) 16.917 30.361 ( 13.067 4.896 7.408) 15.799 30.627 ( 2.517 3.055 -1.778) 4.340 30.680 ( 15.456 9.126 -0.242) 17.951 30.836 ( -3.753 14.518 6.704) 16.426 31.262 ( 4.663 1.688 -2.327) 5.478 31.464 ( -7.924 4.778 0.080) 9.254 31.719 ( 4.345 -6.317 2.739) 8.142 31.799 ( -2.334 -10.728 1.326) 11.059 32.349 ( 0.115 9.839 4.480) 10.811 32.518 ( -0.819 10.846 0.395) 10.884 33.326 ( -2.264 -2.018 2.567) 3.973 33.629 ( 5.340 -3.499 -6.565) 9.157 35.259 ( -1.227 0.713 3.384) 3.670 35.303 ( 0.904 0.924 0.760) 1.499 35.446 ( -1.395 2.506 4.538) 5.369 35.603 ( -0.341 -4.218 -1.331) 4.437 35.892 ( 2.328 9.860 -4.677) 11.158 35.978 ( -5.752 -0.494 -5.384) 7.895 37.689 ( 15.513 -10.135 -2.985) 18.770 38.018 ( -27.403 -22.242 1.426) 35.322 ======================= Grid point 142 (66/114) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( 8.728 -0.000 11.137) 14.150 1.733 ( 19.951 -0.000 22.816) 30.309 2.027 ( 12.003 -0.000 -1.955) 12.161 2.221 ( -6.578 0.000 -19.229) 20.323 2.499 ( 8.857 -0.000 20.391) 22.232 2.634 ( 1.798 -0.000 -1.146) 2.132 2.643 ( -7.396 0.000 -8.529) 11.289 2.786 ( 2.081 -0.000 -5.964) 6.317 2.846 ( 5.027 -0.000 7.469) 9.004 3.070 ( 5.517 -0.000 -12.316) 13.495 3.211 ( -3.581 0.000 -5.805) 6.821 3.253 ( 0.573 -0.000 -5.057) 5.090 3.680 ( -7.617 0.000 -1.397) 7.744 3.805 ( 0.400 -0.000 3.593) 3.615 3.973 ( -2.214 0.000 7.762) 8.071 4.153 ( 0.852 -0.000 -6.917) 6.970 4.304 ( -9.077 0.000 0.468) 9.089 4.397 ( 3.674 -0.000 9.505) 10.190 4.545 ( -12.379 0.000 -5.547) 13.565 4.696 ( 4.446 -0.000 2.879) 5.297 4.740 ( 0.086 -0.000 7.480) 7.480 4.920 ( -5.966 0.000 -11.635) 13.075 5.216 ( -2.674 0.000 5.803) 6.389 5.371 ( 2.180 -0.000 1.429) 2.607 5.582 ( 0.566 -0.000 6.716) 6.740 5.601 ( -10.438 0.000 -6.049) 12.065 5.814 ( -5.557 0.000 -3.392) 6.510 5.852 ( 3.354 -0.000 0.529) 3.395 6.030 ( 3.911 -0.000 5.331) 6.612 6.130 ( 2.238 -0.000 -2.726) 3.527 7.630 ( 1.295 -0.000 -0.752) 1.498 7.660 ( 3.363 -0.000 2.090) 3.960 7.909 ( -0.107 0.000 -4.819) 4.820 7.920 ( 8.366 -0.000 6.277) 10.459 8.887 ( -3.542 0.000 1.958) 4.047 8.935 ( -4.394 0.000 -3.896) 5.872 9.029 ( 4.879 -0.000 1.382) 5.071 9.100 ( 8.783 -0.000 -1.378) 8.890 9.350 ( -9.249 0.000 0.728) 9.277 9.359 ( -2.704 0.000 0.140) 2.708 9.572 ( -2.267 0.000 -3.549) 4.211 9.819 ( 1.044 -0.000 -5.718) 5.813 9.824 ( 5.510 -0.000 6.708) 8.681 9.893 ( 3.916 -0.000 3.654) 5.356 10.350 ( -1.429 0.000 4.104) 4.346 10.544 ( 4.062 -0.000 -2.045) 4.547 11.094 ( -4.767 0.000 4.847) 6.798 11.148 ( -4.667 0.000 -5.968) 7.576 11.492 ( 4.796 -0.000 -1.771) 5.113 11.570 ( 9.615 -0.000 3.171) 10.124 11.751 ( -1.152 0.000 -2.947) 3.164 11.760 ( 3.090 -0.000 5.450) 6.265 12.390 ( -5.918 0.000 0.350) 5.929 12.411 ( 0.017 -0.000 4.952) 4.952 12.543 ( -0.850 0.000 -4.063) 4.151 12.608 ( 4.395 -0.000 0.801) 4.467 12.773 ( 3.252 -0.000 -4.290) 5.383 12.792 ( -2.523 0.000 -7.919) 8.311 13.345 ( -1.305 0.000 0.131) 1.312 13.375 ( -1.197 0.000 -1.782) 2.146 13.681 ( -3.874 0.000 4.564) 5.986 13.768 ( -1.062 0.000 0.349) 1.117 14.569 ( -2.511 0.000 -1.861) 3.125 14.619 ( 2.143 -0.000 -1.026) 2.376 14.815 ( -8.406 0.000 -2.490) 8.767 14.895 ( -0.859 0.000 -2.473) 2.618 15.233 ( -6.791 0.000 1.134) 6.885 15.284 ( -0.321 0.000 -2.964) 2.982 15.424 ( -0.747 0.000 -3.493) 3.572 15.855 ( 18.262 -0.000 1.969) 18.367 16.552 ( -3.549 0.000 0.416) 3.573 16.592 ( -2.374 0.000 0.394) 2.406 16.882 ( -1.666 0.000 0.633) 1.782 16.939 ( 0.403 -0.000 -1.038) 1.114 17.164 ( -7.998 0.000 -0.643) 8.023 17.348 ( 6.001 -0.000 3.881) 7.146 19.611 ( 0.985 -0.000 -5.336) 5.426 19.657 ( 8.612 -0.000 3.390) 9.255 20.999 ( 0.317 -0.000 2.422) 2.443 21.042 ( -0.281 0.000 -1.626) 1.650 21.833 ( -6.758 0.000 2.463) 7.193 22.042 ( 3.934 -0.000 -1.882) 4.361 23.195 ( -1.129 0.000 2.553) 2.792 23.323 ( 2.772 -0.000 -2.723) 3.886 26.841 ( -0.268 0.000 0.152) 0.308 26.845 ( -0.167 0.000 -0.093) 0.191 29.451 ( -2.767 0.000 -2.912) 4.017 29.512 ( 4.518 -0.000 2.632) 5.229 30.241 ( -14.616 0.000 4.149) 15.194 30.505 ( -2.080 0.000 -3.332) 3.928 30.557 ( -6.383 0.000 -1.288) 6.512 30.968 ( 4.616 -0.000 -6.489) 7.963 31.182 ( -5.901 0.000 -1.036) 5.992 31.794 ( 7.613 -0.000 -2.477) 8.006 31.923 ( 4.028 -0.000 1.586) 4.329 31.932 ( 19.326 -0.000 -5.974) 20.228 32.409 ( 0.911 -0.000 -2.175) 2.358 32.523 ( 27.542 -0.000 -6.715) 28.348 33.331 ( -4.631 0.000 5.608) 7.273 33.627 ( 4.455 -0.000 -9.775) 10.743 35.266 ( -2.262 0.000 2.223) 3.171 35.340 ( 1.212 -0.000 0.813) 1.460 35.502 ( -0.366 0.000 5.368) 5.380 35.614 ( -0.327 0.000 -5.581) 5.590 35.754 ( 0.077 -0.000 4.307) 4.308 35.783 ( -2.921 0.000 -3.901) 4.873 37.296 ( -44.486 0.000 10.859) 45.792 38.278 ( 19.619 -0.000 4.112) 20.045 ======================= Grid point 143 (67/114) ======================= q-point: ( 0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 10.481 -1.775 1.906) 10.800 1.848 ( 9.306 9.017 11.345) 17.223 1.984 ( 6.394 4.538 -3.777) 8.702 2.224 ( 12.690 -2.871 -12.692) 18.176 2.408 ( -7.317 -0.499 -0.446) 7.348 2.735 ( 3.935 -2.834 -2.152) 5.305 2.783 ( 7.918 -5.229 9.798) 13.640 2.903 ( 2.045 -6.747 -8.501) 11.044 2.962 ( -2.660 -12.726 -2.575) 13.254 3.122 ( 2.430 -5.522 -3.497) 6.973 3.206 ( -1.714 -6.845 -3.495) 7.874 3.280 ( 3.561 -4.913 -0.131) 6.070 3.600 ( -3.512 3.254 -0.560) 4.820 3.757 ( -2.957 6.351 3.733) 7.938 3.973 ( -4.093 1.065 -1.369) 4.446 4.101 ( -0.235 -0.906 -6.183) 6.254 4.235 ( -7.964 0.898 2.555) 8.412 4.402 ( -13.252 1.685 -3.944) 13.928 4.459 ( 2.656 2.371 8.087) 8.836 4.700 ( 1.476 4.062 8.983) 9.968 4.782 ( -3.268 1.904 -8.244) 9.071 4.810 ( 3.766 -0.500 3.113) 4.912 5.191 ( -6.489 1.977 3.847) 7.798 5.426 ( 1.508 -2.734 -3.239) 4.499 5.501 ( -8.888 -1.318 -2.640) 9.365 5.625 ( 2.589 -0.786 4.967) 5.656 5.739 ( -5.525 2.230 -2.032) 6.295 5.877 ( 1.373 -0.404 -1.454) 2.040 6.007 ( 2.880 7.830 -0.186) 8.344 6.111 ( 2.417 3.231 3.450) 5.309 7.627 ( 1.263 1.008 -2.160) 2.698 7.737 ( 4.582 -2.791 2.766) 6.036 7.875 ( 1.027 1.981 -2.434) 3.303 7.992 ( 7.277 2.046 4.124) 8.611 8.815 ( -4.239 3.508 -0.608) 5.536 8.848 ( -1.913 4.877 -0.502) 5.263 9.031 ( 3.675 3.100 0.072) 4.809 9.130 ( 7.642 2.866 -1.173) 8.246 9.278 ( -11.957 -2.378 -1.517) 12.286 9.378 ( -5.496 -2.603 0.681) 6.119 9.562 ( 5.277 0.855 -0.931) 5.426 9.748 ( -3.350 1.636 -5.847) 6.934 9.924 ( 9.240 1.815 4.783) 10.562 9.952 ( 1.598 -1.777 3.048) 3.874 10.346 ( 0.533 3.808 6.451) 7.510 10.539 ( 4.896 3.290 -0.985) 5.980 11.077 ( -3.994 -1.314 -0.409) 4.225 11.148 ( -3.679 -5.053 1.069) 6.341 11.515 ( 5.687 1.005 -0.210) 5.779 11.636 ( 9.218 2.701 2.782) 10.001 11.719 ( -1.346 0.256 -2.582) 2.923 11.829 ( 4.231 -1.463 2.492) 5.124 12.291 ( -5.558 4.153 0.405) 6.950 12.386 ( -6.281 4.786 -5.491) 9.618 12.463 ( 1.452 2.560 1.408) 3.262 12.604 ( 6.365 4.729 -4.092) 8.923 12.729 ( -2.284 -1.028 -6.308) 6.787 12.770 ( -2.284 0.633 1.896) 3.035 13.280 ( -3.376 1.516 1.480) 3.985 13.502 ( 4.506 -7.597 0.498) 8.847 13.700 ( -4.690 1.195 -0.033) 4.840 13.762 ( -2.357 -5.712 3.371) 7.039 14.393 ( -9.072 9.036 -5.927) 14.109 14.634 ( 4.457 -0.616 -2.298) 5.053 14.938 ( -3.767 -10.697 -3.556) 11.886 14.974 ( -0.268 -14.702 2.328) 14.887 15.225 ( -4.715 -4.813 1.119) 6.830 15.245 ( -11.322 -3.514 -4.043) 12.525 15.567 ( 12.054 -7.963 -0.507) 14.456 16.002 ( 11.582 -1.916 1.375) 11.820 16.471 ( -5.352 4.519 0.300) 7.011 16.515 ( -5.466 4.447 -0.998) 7.116 16.875 ( -0.863 -0.599 0.198) 1.068 16.967 ( 1.205 -2.965 -0.639) 3.264 17.152 ( -5.762 -4.363 -0.872) 7.280 17.411 ( 3.797 -0.339 2.541) 4.581 19.643 ( 3.835 -4.626 -3.791) 7.105 19.737 ( 8.197 0.689 3.260) 8.848 20.885 ( -1.281 11.291 3.122) 11.785 20.974 ( 1.534 7.912 -2.465) 8.428 21.910 ( -6.304 -11.434 2.897) 13.375 22.160 ( 3.048 -10.281 -2.178) 10.943 23.137 ( -1.810 6.564 3.440) 7.629 23.295 ( 3.335 4.056 -2.531) 5.829 26.964 ( -0.469 -13.367 1.351) 13.444 26.970 ( -0.723 -13.651 -1.178) 13.721 29.173 ( -4.020 20.206 -2.824) 20.794 29.471 ( 7.318 12.239 0.393) 14.265 30.318 ( -14.199 -16.821 -1.984) 22.102 30.506 ( -2.585 -3.427 0.409) 4.312 30.544 ( -4.326 -3.619 -0.785) 5.694 31.016 ( 3.082 -5.088 -1.745) 6.200 31.170 ( -2.638 -2.161 -0.370) 3.430 31.712 ( -1.804 7.760 -0.492) 7.982 31.822 ( 4.204 11.254 -1.021) 12.057 32.109 ( 15.879 -4.605 -8.001) 18.368 32.506 ( 1.970 -10.000 -2.914) 10.601 32.709 ( 27.944 -1.238 -11.849) 30.377 33.308 ( -5.476 2.231 6.343) 8.672 33.579 ( 3.970 2.807 -9.533) 10.702 35.269 ( -2.414 -1.196 1.348) 3.012 35.346 ( 0.742 0.457 -0.423) 0.969 35.522 ( -1.588 -0.625 3.230) 3.653 35.592 ( 0.773 0.045 0.549) 0.948 35.768 ( -1.686 -2.166 0.168) 2.749 35.855 ( 1.107 -6.924 1.688) 7.212 36.992 ( -36.747 5.797 14.456) 39.912 38.318 ( 14.856 12.557 2.179) 19.574 ======================= Grid point 144 (68/114) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 4.897 0.225 4.612) 6.730 1.863 ( 3.834 -7.320 -9.505) 12.594 2.023 ( 6.594 -2.000 1.004) 6.964 2.253 ( 12.119 3.089 -1.104) 12.555 2.468 ( -1.703 -7.442 -7.207) 10.499 2.789 ( -0.465 2.563 -7.686) 8.116 2.822 ( 7.159 -0.626 1.513) 7.344 3.034 ( 0.008 -9.495 1.548) 9.621 3.120 ( 0.240 1.196 1.175) 1.694 3.159 ( -3.005 -8.263 -6.641) 11.019 3.332 ( 1.947 -9.959 -3.125) 10.618 3.483 ( -0.331 -1.476 1.498) 2.129 3.555 ( 5.912 -5.223 -0.273) 7.893 3.615 ( -3.636 5.871 1.083) 6.991 3.896 ( 1.511 3.638 -3.034) 4.972 4.074 ( -5.725 2.204 -6.736) 9.110 4.187 ( -3.512 -2.169 2.704) 4.935 4.270 ( -13.601 2.156 1.543) 13.857 4.484 ( 2.808 -0.946 4.783) 5.626 4.673 ( -0.971 2.365 -7.447) 7.874 4.725 ( 4.180 3.353 12.221) 13.344 4.879 ( -1.665 -3.103 0.995) 3.659 5.105 ( -5.200 3.997 2.729) 7.104 5.419 ( -3.002 -0.461 -0.510) 3.079 5.491 ( 0.528 -0.170 -2.853) 2.906 5.597 ( -7.542 5.087 -1.552) 9.229 5.730 ( 5.770 -4.525 0.461) 7.347 5.856 ( 3.722 3.647 -3.737) 6.413 5.906 ( -1.427 1.598 0.169) 2.150 6.072 ( -1.753 4.465 6.173) 7.818 7.596 ( 0.152 1.579 -2.177) 2.694 7.748 ( -0.659 3.392 -2.672) 4.368 7.850 ( 0.117 2.309 2.960) 3.756 8.066 ( 10.052 -2.378 2.781) 10.697 8.734 ( -0.820 4.650 0.086) 4.723 8.777 ( -1.270 -0.072 2.056) 2.417 9.003 ( 3.637 2.846 -0.367) 4.633 9.085 ( 4.261 6.688 -0.505) 7.946 9.238 ( -7.857 -1.697 0.265) 8.042 9.355 ( -5.313 0.728 0.564) 5.392 9.576 ( 2.294 0.927 -5.333) 5.879 9.669 ( 1.362 1.021 -2.531) 3.050 9.932 ( 4.704 5.173 0.469) 7.007 10.002 ( -3.146 -2.648 2.249) 4.687 10.279 ( -0.372 7.063 5.539) 8.984 10.484 ( 4.684 6.202 -3.078) 8.359 11.116 ( -1.942 -4.962 1.517) 5.540 11.241 ( -3.073 -6.454 2.230) 7.488 11.532 ( 3.870 2.549 2.513) 5.272 11.647 ( 7.088 2.830 -1.825) 7.847 11.697 ( 0.650 0.696 -1.541) 1.811 11.892 ( 2.655 -1.353 -1.620) 3.392 12.188 ( -4.807 1.735 -5.034) 7.174 12.238 ( -0.453 4.193 2.682) 4.999 12.416 ( 0.797 2.381 -5.090) 5.675 12.548 ( 4.061 3.958 1.076) 5.772 12.675 ( -5.636 0.911 -4.450) 7.239 12.783 ( -0.855 -0.125 4.942) 5.017 13.275 ( -1.276 -2.276 3.090) 4.044 13.613 ( -7.128 0.784 -1.509) 7.328 13.655 ( 5.996 -4.158 2.663) 7.768 13.929 ( 0.249 -7.628 2.575) 8.055 14.154 ( -8.345 3.798 -9.597) 13.273 14.620 ( 5.993 6.075 -0.225) 8.537 15.066 ( -3.072 -5.315 -2.380) 6.584 15.192 ( -0.319 -7.128 4.538) 8.456 15.296 ( -5.101 -12.134 -1.323) 13.229 15.358 ( -7.033 -12.377 -0.015) 14.235 15.763 ( 11.563 -3.155 1.501) 12.079 16.118 ( 6.833 -2.692 -0.793) 7.387 16.343 ( -8.158 4.171 -3.354) 9.757 16.421 ( -4.773 -1.471 3.667) 6.196 16.890 ( -0.092 -1.366 -0.607) 1.497 17.047 ( 1.307 -4.634 -0.066) 4.815 17.191 ( -2.354 -3.556 -0.405) 4.283 17.437 ( 1.212 0.495 0.943) 1.614 19.782 ( 5.451 -7.878 -2.175) 9.823 19.803 ( 5.627 -2.263 1.420) 6.229 20.663 ( -2.450 13.816 3.263) 14.406 20.789 ( 1.848 11.654 -3.483) 12.303 22.127 ( -5.234 -15.274 3.150) 16.450 22.374 ( 2.229 -12.419 -3.115) 12.997 22.998 ( -2.904 9.260 4.451) 10.677 23.204 ( 3.246 7.458 -2.481) 8.504 27.235 ( -0.964 -18.768 -3.192) 19.062 27.316 ( -1.415 -22.535 6.444) 23.481 28.754 ( -1.779 22.584 -1.718) 22.719 29.232 ( 8.203 19.259 -2.898) 21.133 30.502 ( -6.945 -13.817 -5.094) 16.282 30.600 ( -3.959 -6.347 0.086) 7.481 30.616 ( -4.136 -11.163 3.500) 12.408 31.124 ( -1.212 -4.523 -0.765) 4.745 31.221 ( 1.735 -3.816 4.112) 5.872 31.538 ( -1.937 9.545 -0.292) 9.743 31.615 ( 2.058 13.067 -2.423) 13.448 32.215 ( 13.815 -0.963 -12.933) 18.949 32.711 ( 4.130 -11.738 -3.535) 12.936 32.841 ( 16.014 -1.612 -7.054) 17.572 33.236 ( -6.236 4.747 5.634) 9.653 33.486 ( 2.654 5.003 -7.583) 9.464 35.284 ( -1.864 -1.359 1.056) 2.537 35.341 ( -0.082 -0.463 -1.152) 1.245 35.547 ( -1.449 -1.574 1.831) 2.816 35.604 ( 1.172 0.923 3.364) 3.680 35.838 ( -2.752 -4.968 6.557) 8.675 36.006 ( 1.879 -7.895 -0.930) 8.169 36.750 ( -24.602 2.796 13.274) 28.094 38.103 ( 10.102 20.764 -3.718) 23.389 ======================= Grid point 145 (69/114) ======================= q-point: ( 0.50 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 3.454 3.849 -5.675) 7.678 2.054 ( 7.517 -3.192 -2.910) 8.670 2.132 ( 5.287 -9.598 1.787) 11.103 2.347 ( 5.377 -5.764 0.998) 7.946 2.462 ( -0.320 4.582 -3.970) 6.071 2.677 ( -5.184 1.822 -4.537) 7.126 2.833 ( -1.021 1.098 0.098) 1.503 3.064 ( -0.830 1.401 -4.488) 4.774 3.182 ( 1.663 -5.611 1.163) 5.967 3.287 ( 1.478 -4.740 1.684) 5.243 3.427 ( 1.373 2.488 2.924) 4.078 3.536 ( 1.382 -4.207 2.470) 5.070 3.562 ( 2.256 -2.919 -6.949) 7.867 3.632 ( -0.418 1.166 -7.740) 7.839 3.862 ( 4.517 0.792 4.102) 6.153 3.942 ( -2.312 2.861 -5.028) 6.230 4.109 ( -9.258 3.836 -0.054) 10.021 4.267 ( -4.337 -6.311 0.120) 7.658 4.539 ( 0.803 1.082 1.099) 1.739 4.602 ( 1.380 1.465 -5.266) 5.638 4.752 ( 5.180 3.150 10.817) 12.399 4.889 ( -5.853 -2.423 -2.619) 6.855 5.035 ( -0.967 2.800 2.149) 3.660 5.390 ( -1.891 2.478 3.423) 4.630 5.482 ( 2.299 -2.233 -2.196) 3.885 5.536 ( -1.615 -0.678 -0.812) 1.931 5.744 ( 0.830 4.368 1.496) 4.691 5.851 ( 0.577 0.028 -2.667) 2.729 5.959 ( 0.461 -9.205 -3.159) 9.743 6.001 ( -4.231 4.758 6.662) 9.215 7.549 ( -1.050 2.231 -0.636) 2.547 7.680 ( -0.293 1.483 -1.427) 2.079 7.819 ( -0.763 1.521 2.419) 2.957 8.199 ( 7.028 -2.178 0.399) 7.368 8.683 ( 1.112 1.964 3.089) 3.826 8.799 ( -0.448 -0.899 0.211) 1.027 8.977 ( 1.054 6.553 -0.754) 6.680 8.984 ( 3.192 1.938 -0.544) 3.774 9.222 ( -3.071 -0.986 1.639) 3.618 9.275 ( -5.249 3.234 -0.627) 6.197 9.553 ( 3.023 -1.302 -3.904) 5.106 9.698 ( 1.078 -1.589 0.663) 2.032 9.816 ( -1.955 7.278 -3.002) 8.113 10.032 ( -4.499 -3.775 0.420) 5.888 10.192 ( 1.037 6.339 4.560) 7.877 10.368 ( 3.620 6.563 -4.729) 8.862 11.203 ( -1.747 -4.173 2.782) 5.311 11.330 ( -2.347 -4.260 1.575) 5.112 11.511 ( 0.089 2.483 4.041) 4.744 11.623 ( 8.550 4.983 -3.469) 10.487 11.693 ( 0.070 0.017 -1.330) 1.332 11.830 ( -4.756 2.890 -6.381) 8.467 12.195 ( 0.116 -2.860 1.533) 3.247 12.236 ( 3.489 -0.357 2.297) 4.192 12.368 ( 0.756 -0.560 -6.211) 6.282 12.534 ( 0.908 1.575 2.222) 2.870 12.610 ( -2.620 -1.231 -2.213) 3.643 12.744 ( -0.325 6.850 2.733) 7.382 13.392 ( 1.954 -7.282 5.068) 9.085 13.581 ( -6.998 -4.033 -0.253) 8.080 13.768 ( 4.629 -2.405 1.352) 5.389 13.868 ( -4.099 8.216 -1.822) 9.361 14.139 ( 2.515 -2.983 -7.063) 8.069 14.555 ( 1.223 3.475 3.172) 4.861 15.093 ( -2.649 -4.338 -2.469) 5.651 15.303 ( -1.702 0.757 2.253) 2.923 15.409 ( -0.582 -5.809 2.212) 6.243 15.529 ( -4.222 -11.511 -0.719) 12.282 15.883 ( 11.727 1.601 5.114) 12.893 16.144 ( -7.958 3.207 -5.973) 10.454 16.204 ( -0.943 -0.529 0.270) 1.114 16.540 ( -0.065 -9.143 1.971) 9.353 16.912 ( 0.919 -1.307 -0.771) 1.774 17.118 ( -1.562 -3.247 -0.660) 3.663 17.236 ( 1.753 -1.302 1.025) 2.412 17.434 ( -0.773 0.167 0.451) 0.910 19.894 ( 3.530 -4.976 1.061) 6.192 19.995 ( 4.986 -10.584 -2.351) 11.934 20.415 ( -3.093 12.900 2.769) 13.552 20.575 ( 1.410 11.286 -4.000) 12.057 22.382 ( -4.078 -15.126 3.021) 15.955 22.579 ( 2.488 -10.234 -3.474) 11.090 22.834 ( -3.360 8.542 4.492) 10.219 23.053 ( 2.290 10.278 -2.628) 10.853 27.569 ( 0.513 -20.805 -1.811) 20.890 27.756 ( -4.072 -24.149 7.078) 25.492 28.337 ( 0.230 23.538 0.425) 23.543 28.921 ( 7.259 19.129 -7.028) 21.634 30.655 ( -1.992 -9.419 0.615) 9.647 30.697 ( -2.615 -6.494 1.828) 7.236 30.836 ( -2.764 -14.305 -1.506) 14.647 31.148 ( 0.179 -0.820 -1.422) 1.651 31.299 ( 1.715 4.071 3.526) 5.652 31.345 ( -0.479 11.712 -1.085) 11.772 31.435 ( -2.354 2.456 2.951) 4.504 32.199 ( 11.832 4.229 -16.789) 20.970 32.892 ( 6.630 -4.602 -3.717) 8.886 32.978 ( 4.487 -8.864 -1.014) 9.987 33.116 ( -5.677 6.082 4.050) 9.254 33.363 ( 0.687 6.364 -4.573) 7.867 35.297 ( -1.259 -0.675 1.423) 2.016 35.349 ( -0.051 -0.915 -0.717) 1.164 35.566 ( -0.988 -0.534 1.175) 1.625 35.613 ( -0.035 0.777 2.908) 3.010 35.948 ( -6.258 -4.882 10.031) 12.791 36.108 ( -2.578 -2.682 3.932) 5.413 36.725 ( -6.416 -8.590 4.233) 11.527 37.752 ( 6.307 20.813 -8.172) 23.232 ======================= Grid point 146 (70/114) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 6.155 7.397 3.860) 10.368 2.047 ( 9.373 11.536 -3.848) 15.354 2.133 ( -1.618 6.612 0.735) 6.846 2.381 ( -5.601 -0.495 0.300) 5.631 2.550 ( 3.332 0.956 -0.688) 3.534 2.643 ( -2.234 -9.456 -2.309) 9.987 2.845 ( 2.740 -1.883 -0.149) 3.329 3.028 ( 1.750 1.193 1.346) 2.510 3.252 ( -2.131 2.009 -2.415) 3.796 3.297 ( -2.897 3.341 3.017) 5.353 3.367 ( -1.147 5.193 -3.790) 6.530 3.455 ( -0.092 6.851 7.278) 9.996 3.541 ( -0.851 -2.445 -2.208) 3.402 3.642 ( 0.767 -2.555 -7.105) 7.589 3.855 ( -0.297 1.610 -0.672) 1.769 3.947 ( -0.426 -2.233 -2.864) 3.657 4.177 ( 11.571 -8.193 6.174) 15.464 4.325 ( -9.840 -6.924 -2.188) 12.229 4.467 ( -1.786 3.126 -4.813) 6.010 4.588 ( 4.788 1.143 -0.463) 4.945 4.828 ( 0.205 -0.522 1.117) 1.250 4.909 ( 7.506 -3.835 2.360) 8.753 5.017 ( -2.032 -2.185 -0.862) 3.106 5.375 ( -1.688 0.539 3.607) 4.019 5.516 ( 0.560 0.618 -3.233) 3.339 5.556 ( 2.944 -2.474 0.080) 3.846 5.678 ( -5.124 3.599 4.300) 7.596 5.810 ( -2.603 2.386 -2.020) 4.068 5.922 ( -2.547 3.558 5.135) 6.746 6.107 ( -0.116 -8.079 -5.138) 9.575 7.517 ( -0.018 0.733 1.713) 1.863 7.664 ( 0.378 0.468 -0.209) 0.637 7.828 ( 0.777 -0.852 2.472) 2.728 8.215 ( 0.104 2.654 -3.868) 4.692 8.706 ( 0.910 -1.085 3.305) 3.595 8.767 ( 0.540 3.012 -2.583) 4.004 8.906 ( -2.354 0.453 -0.082) 2.398 8.970 ( 1.072 1.349 -0.907) 1.946 9.209 ( -3.295 -0.672 1.637) 3.740 9.246 ( 0.329 -1.878 1.062) 2.183 9.561 ( 1.081 4.114 -1.729) 4.591 9.685 ( -3.642 -0.872 -0.091) 3.746 9.770 ( 2.467 -3.791 -1.577) 4.790 10.075 ( -1.479 -2.777 -1.068) 3.323 10.111 ( -2.464 3.165 3.918) 5.607 10.311 ( 5.900 1.792 -1.208) 6.283 11.252 ( -2.104 -1.297 2.672) 3.640 11.353 ( -2.236 0.305 1.234) 2.572 11.522 ( -2.199 -0.760 4.676) 5.223 11.587 ( 7.779 3.735 -2.719) 9.047 11.615 ( -2.750 4.157 -3.016) 5.826 11.769 ( -1.248 0.032 0.409) 1.314 12.233 ( -0.546 -1.727 -1.338) 2.252 12.259 ( -1.464 -0.399 -2.314) 2.767 12.354 ( 3.941 4.404 0.257) 5.915 12.550 ( -1.766 -4.628 -0.721) 5.006 12.613 ( 0.230 6.749 1.019) 6.830 12.690 ( 1.532 -8.380 -1.676) 8.682 13.550 ( -0.123 -5.663 -0.746) 5.714 13.610 ( -3.367 0.901 2.419) 4.243 13.715 ( 0.214 3.331 0.359) 3.357 13.840 ( 3.420 -3.415 1.450) 5.046 14.092 ( 3.955 7.181 0.142) 8.199 14.551 ( -2.302 -0.715 -0.194) 2.418 15.169 ( 1.901 -5.056 -1.548) 5.619 15.236 ( -0.146 4.434 2.110) 4.912 15.517 ( -1.721 -6.187 0.709) 6.461 15.634 ( -5.232 -3.621 -2.416) 6.806 15.870 ( 3.420 10.068 1.137) 10.694 16.080 ( 3.616 -3.856 2.884) 6.022 16.165 ( -5.545 5.289 2.645) 8.106 16.712 ( 1.851 -9.988 -6.350) 11.979 16.944 ( 3.526 -0.951 -0.582) 3.698 17.126 ( -3.809 -0.444 -1.665) 4.180 17.261 ( 3.285 1.560 2.254) 4.279 17.422 ( -2.402 0.703 0.366) 2.530 20.001 ( 2.416 -0.893 -1.741) 3.109 20.066 ( -0.864 6.420 -0.810) 6.528 20.338 ( 2.248 -8.183 -0.181) 8.488 20.399 ( -0.397 5.081 -1.745) 5.387 22.565 ( -2.454 2.553 3.918) 5.282 22.648 ( -1.757 -4.108 2.464) 5.102 22.810 ( 2.855 -1.527 -3.148) 4.516 22.885 ( -0.290 1.834 -1.779) 2.572 27.904 ( -0.676 20.474 0.463) 20.491 27.953 ( 3.071 -20.880 0.814) 21.120 28.194 ( -3.939 -20.310 5.901) 21.514 28.580 ( 3.274 18.182 -13.264) 22.743 30.747 ( -1.367 0.936 3.107) 3.521 30.827 ( 0.924 -6.883 2.800) 7.488 30.992 ( 1.239 -3.886 -2.906) 5.008 31.125 ( -0.134 9.760 -0.740) 9.789 31.200 ( 3.314 -4.027 -0.098) 5.216 31.232 ( 2.217 0.740 1.098) 2.583 31.450 ( -7.083 -0.333 8.022) 10.707 32.069 ( 8.193 7.911 -16.724) 20.234 32.899 ( -1.090 7.563 2.373) 8.001 33.007 ( -0.982 0.548 -1.563) 1.926 33.196 ( 5.324 -6.740 -1.220) 8.675 33.245 ( -1.782 1.104 -0.864) 2.268 35.302 ( -1.070 0.202 2.068) 2.337 35.358 ( 0.637 0.110 -0.018) 0.646 35.562 ( 0.058 1.880 2.864) 3.426 35.603 ( -3.431 -0.298 -0.215) 3.451 35.974 ( -7.650 1.312 7.820) 11.018 36.169 ( -4.983 -4.098 8.368) 10.566 36.964 ( 7.158 -16.012 -3.478) 17.880 37.425 ( 1.042 13.207 -6.818) 14.899 ======================= Grid point 147 (71/114) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.585 ( 7.608 11.540 12.802) 18.840 1.816 ( -1.144 15.337 9.124) 17.882 2.014 ( 1.613 8.276 -6.259) 10.501 2.291 ( -7.835 3.034 -5.933) 10.285 2.436 ( 0.207 8.516 -0.495) 8.533 2.680 ( 1.681 4.837 4.013) 6.506 2.872 ( 6.750 7.021 2.280) 10.002 3.090 ( 0.447 5.183 3.394) 6.211 3.149 ( 3.370 -10.401 3.684) 11.537 3.216 ( -4.246 6.079 2.174) 7.727 3.337 ( 0.203 1.840 6.006) 6.285 3.452 ( 1.020 -2.493 -4.931) 5.619 3.531 ( -2.300 -1.155 -4.122) 4.860 3.704 ( 7.419 -2.999 -3.364) 8.680 3.851 ( -0.827 -0.714 -1.810) 2.114 3.978 ( 0.619 -1.890 2.212) 2.975 4.286 ( -6.748 -3.450 -4.759) 8.949 4.390 ( -5.427 -1.440 -2.297) 6.067 4.472 ( 3.094 -8.475 0.559) 9.039 4.615 ( 8.508 2.258 1.006) 8.860 4.822 ( -0.225 -2.052 -5.179) 5.576 5.020 ( -3.489 -0.628 -2.155) 4.149 5.142 ( 12.217 -8.090 3.862) 15.153 5.353 ( -2.221 2.212 0.661) 3.204 5.476 ( -5.543 0.310 1.385) 5.722 5.572 ( -4.381 3.570 3.591) 6.696 5.645 ( 3.833 -3.128 -0.439) 4.967 5.727 ( -2.256 2.301 -1.150) 3.422 5.912 ( 1.175 0.006 3.640) 3.825 6.165 ( -3.639 -3.626 -5.851) 7.786 7.544 ( 2.570 -0.567 3.576) 4.440 7.662 ( 0.450 0.012 0.666) 0.804 7.870 ( -0.358 -1.625 2.034) 2.627 8.075 ( -3.519 6.974 -6.807) 10.361 8.726 ( -1.505 -1.404 -1.977) 2.854 8.764 ( 0.878 -2.727 0.535) 2.914 8.896 ( -1.348 -0.701 0.216) 1.535 8.949 ( -1.081 -0.119 -0.826) 1.366 9.271 ( 0.472 -3.377 6.765) 7.576 9.326 ( 0.642 -7.631 -1.399) 7.785 9.495 ( 1.047 1.070 -1.262) 1.958 9.652 ( -2.692 2.419 -1.218) 3.818 9.854 ( 4.417 -0.858 1.700) 4.810 10.097 ( -5.299 -0.870 5.343) 7.575 10.112 ( -0.987 -3.584 -0.888) 3.822 10.364 ( 5.002 -3.360 -1.888) 6.315 11.251 ( -0.554 1.102 0.833) 1.488 11.335 ( -3.172 -0.089 1.554) 3.534 11.452 ( -6.380 4.464 0.320) 7.793 11.540 ( 3.813 2.190 -1.774) 4.741 11.647 ( 4.189 -1.924 3.316) 5.678 11.763 ( -1.363 1.673 2.768) 3.510 12.161 ( -0.655 4.924 0.045) 4.967 12.266 ( -1.873 -3.076 -3.723) 5.179 12.331 ( 2.417 0.859 2.502) 3.583 12.536 ( -0.229 1.972 1.506) 2.492 12.665 ( 1.487 -7.465 -4.114) 8.652 12.852 ( 1.284 -8.760 -3.229) 9.424 13.484 ( -1.505 5.439 -2.909) 6.349 13.553 ( -4.335 2.270 -2.949) 5.714 13.754 ( 4.400 0.263 5.698) 7.204 13.982 ( 0.364 4.200 1.889) 4.619 14.026 ( 8.573 -5.211 8.164) 12.935 14.518 ( -3.268 0.047 -3.978) 5.148 15.146 ( 3.044 6.289 3.748) 7.928 15.314 ( 0.174 -7.207 -0.713) 7.245 15.448 ( -5.024 8.817 -5.515) 11.549 15.652 ( -2.800 -2.346 -2.551) 4.456 15.790 ( 7.647 4.375 3.383) 9.437 15.949 ( -7.398 10.255 2.993) 12.994 16.264 ( 3.748 -6.858 4.593) 9.065 16.795 ( -1.273 -3.908 -11.265) 11.991 16.989 ( 7.690 0.713 -3.394) 8.436 17.054 ( -5.106 3.111 -1.860) 6.262 17.267 ( 3.739 2.235 2.922) 5.245 17.368 ( -4.045 2.378 1.213) 4.846 19.833 ( -2.471 10.797 -0.517) 11.088 19.957 ( 3.325 8.397 -7.300) 11.612 20.441 ( -2.520 -9.375 3.699) 10.389 20.565 ( 3.055 -13.113 -1.950) 13.605 22.412 ( -2.294 11.495 6.267) 13.292 22.570 ( 3.223 12.735 -3.090) 13.495 22.875 ( -4.417 -9.556 2.336) 10.784 23.021 ( 1.959 -10.012 -4.011) 10.962 27.525 ( 0.670 21.610 2.550) 21.770 28.117 ( -3.278 20.646 -20.111) 29.008 28.393 ( 8.910 -20.550 2.883) 22.583 28.585 ( -6.377 -23.000 3.003) 24.056 30.669 ( 1.245 8.192 3.850) 9.137 30.840 ( 1.458 7.044 -1.647) 7.379 30.966 ( 4.769 7.320 2.929) 9.214 31.117 ( 3.299 -4.428 5.694) 7.932 31.286 ( -0.938 -8.302 -1.964) 8.583 31.334 ( -2.349 0.464 0.295) 2.413 31.433 ( -0.895 -3.648 5.328) 6.519 31.887 ( 6.632 8.451 -13.224) 17.038 32.734 ( -1.560 10.392 3.404) 11.046 32.911 ( -0.075 8.795 -2.875) 9.254 33.217 ( -2.279 -2.674 3.280) 4.806 33.402 ( 4.462 -8.985 -3.767) 10.716 35.298 ( -0.723 1.030 2.900) 3.161 35.352 ( 1.040 1.281 0.350) 1.687 35.540 ( 0.175 2.079 2.864) 3.544 35.568 ( -5.066 0.643 0.496) 5.130 35.927 ( -5.431 1.076 2.691) 6.156 36.204 ( -2.566 2.051 2.203) 3.955 37.269 ( -1.200 -3.150 -0.362) 3.390 37.322 ( 4.048 -16.642 -2.759) 17.348 ======================= Grid point 148 (72/114) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 2.220 15.739 13.310) 20.732 1.601 ( -2.414 14.163 16.252) 21.692 1.876 ( 5.356 3.437 -5.567) 8.455 2.182 ( -0.494 -3.161 -10.826) 11.289 2.372 ( 0.389 2.546 13.413) 13.658 2.620 ( 0.982 6.562 4.674) 8.116 2.776 ( 9.940 13.782 8.998) 19.228 2.998 ( 3.495 11.447 6.983) 13.857 3.147 ( -1.558 -2.917 -7.450) 8.151 3.309 ( -0.304 3.584 0.071) 3.598 3.361 ( 3.216 -2.965 -1.923) 4.778 3.446 ( -0.682 0.977 -2.725) 2.974 3.538 ( 1.088 -2.969 -2.020) 3.752 3.749 ( -4.946 -2.862 -8.359) 10.126 3.845 ( 7.166 0.690 4.129) 8.299 4.047 ( -1.382 -4.207 3.664) 5.748 4.304 ( -2.965 -4.921 -3.245) 6.599 4.364 ( -5.695 -1.820 -0.312) 5.987 4.589 ( -1.137 -3.987 0.083) 4.147 4.632 ( 5.423 2.231 0.717) 5.907 4.850 ( -2.150 -3.751 -6.247) 7.597 4.872 ( -3.856 6.067 -7.923) 10.698 5.293 ( -5.057 3.433 4.687) 7.703 5.395 ( 9.378 -6.280 3.713) 11.882 5.459 ( -0.140 2.056 3.801) 4.323 5.544 ( -4.409 -4.411 6.558) 9.050 5.692 ( -0.295 -1.156 -4.091) 4.261 5.781 ( 3.354 -8.371 -2.831) 9.452 5.966 ( 2.935 -1.211 3.909) 5.036 6.125 ( -6.816 -0.375 -4.898) 8.401 7.598 ( 5.211 0.623 4.109) 6.665 7.679 ( -0.845 -0.805 0.903) 1.476 7.846 ( -6.434 2.202 -1.376) 6.938 7.947 ( 1.986 1.236 -3.194) 3.959 8.754 ( -1.575 -3.713 0.091) 4.035 8.837 ( 1.054 -5.419 -1.924) 5.846 8.926 ( 1.533 -2.455 0.720) 2.983 8.954 ( -1.694 -1.627 0.023) 2.349 9.361 ( -1.208 -2.418 5.761) 6.364 9.461 ( 1.697 -4.084 -2.115) 4.902 9.546 ( -1.766 -4.821 1.546) 5.362 9.591 ( 5.994 0.761 -1.698) 6.276 9.872 ( 2.171 2.953 3.703) 5.210 10.034 ( -4.565 3.474 -0.853) 5.800 10.217 ( -3.940 -7.003 3.939) 8.949 10.446 ( 1.368 -4.647 -4.711) 6.757 11.220 ( 1.552 4.004 -0.600) 4.336 11.286 ( -5.740 1.085 -2.384) 6.309 11.372 ( -3.482 0.611 3.376) 4.888 11.524 ( 3.403 1.396 -2.564) 4.484 11.711 ( 1.577 2.983 3.518) 4.874 11.731 ( 1.214 -1.335 3.157) 3.637 12.183 ( 1.899 -4.014 7.279) 8.527 12.312 ( -0.960 -5.651 -1.745) 5.991 12.362 ( 1.465 -1.051 1.928) 2.639 12.530 ( 0.609 -0.340 0.690) 0.981 12.754 ( 2.574 -3.108 -5.235) 6.610 12.934 ( -1.033 -2.821 -6.614) 7.264 13.394 ( -5.006 1.410 0.204) 5.204 13.478 ( 1.604 1.332 -3.762) 4.301 13.776 ( 4.361 4.709 5.771) 8.631 13.865 ( -3.458 6.956 3.170) 8.390 14.306 ( 10.970 -10.619 5.878) 16.360 14.491 ( -3.951 -3.186 -3.898) 6.399 15.064 ( 1.170 8.057 3.822) 8.994 15.209 ( -3.310 8.981 -3.761) 10.284 15.397 ( -0.243 1.257 -0.109) 1.285 15.560 ( 2.435 9.104 -2.887) 9.856 15.668 ( 0.773 10.029 3.950) 10.806 15.902 ( -2.273 -1.989 -4.876) 5.736 16.409 ( 0.731 -4.933 3.739) 6.233 16.694 ( -1.177 5.509 -12.337) 13.563 16.933 ( -2.813 2.797 -0.683) 4.025 16.992 ( 4.517 2.998 -3.551) 6.481 17.273 ( 3.437 2.148 3.694) 5.484 17.321 ( -3.813 1.279 2.350) 4.658 19.659 ( 0.283 7.052 -0.277) 7.064 19.790 ( 1.407 6.872 -6.914) 9.849 20.647 ( -2.118 -12.419 4.033) 13.228 20.800 ( 2.026 -12.474 -2.695) 12.922 22.210 ( -3.942 12.306 4.610) 13.719 22.340 ( 3.781 13.915 -2.680) 14.666 23.008 ( -5.036 -8.036 2.858) 9.905 23.175 ( 2.582 -7.832 -3.975) 9.155 27.194 ( 0.624 17.994 2.812) 18.223 27.544 ( -4.708 26.447 -17.407) 32.009 28.864 ( 8.461 -21.640 4.120) 23.598 28.964 ( -3.759 -23.255 0.200) 23.557 30.563 ( 1.982 7.586 4.110) 8.852 30.707 ( 0.244 6.377 -2.436) 6.831 30.872 ( 0.374 9.113 4.715) 10.267 31.090 ( -5.369 9.936 1.756) 11.430 31.310 ( 2.286 -2.835 -0.027) 3.642 31.446 ( 9.386 -5.484 -2.137) 11.079 31.596 ( -0.924 -9.958 2.405) 10.286 31.773 ( 13.674 4.669 -7.581) 16.317 32.566 ( 1.576 10.532 3.981) 11.369 32.711 ( -0.211 11.403 -1.875) 11.558 33.275 ( -3.186 -3.323 3.795) 5.966 33.543 ( 4.319 -6.210 -6.037) 9.678 35.289 ( -0.733 1.355 3.226) 3.575 35.337 ( 1.108 1.462 0.649) 1.946 35.512 ( -2.719 2.837 5.051) 6.400 35.545 ( -0.917 -1.406 -0.048) 1.679 35.885 ( -4.553 -0.154 -1.964) 4.961 36.074 ( 0.809 9.861 -5.138) 11.149 37.373 ( -25.389 -16.487 10.681) 32.101 37.677 ( 15.823 -14.821 -4.946) 22.237 ======================= Grid point 151 (73/114) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.656 ( 8.433 -0.000 -13.381) 15.817 2.025 ( -2.741 0.000 -2.389) 3.636 2.118 ( 20.929 -0.000 -18.912) 28.208 2.271 ( -1.166 0.000 6.569) 6.672 2.398 ( -0.784 0.000 8.319) 8.356 2.561 ( -2.311 0.000 0.113) 2.313 2.759 ( 2.119 -0.000 -5.849) 6.221 2.847 ( 8.049 -0.000 -0.674) 8.077 2.969 ( 7.861 -0.000 -17.812) 19.470 2.985 ( 8.270 -0.000 8.820) 12.091 3.203 ( 0.777 -0.000 5.041) 5.101 3.252 ( 1.967 -0.000 3.411) 3.938 3.603 ( -2.020 0.000 -0.355) 2.051 3.812 ( -4.646 0.000 3.527) 5.833 3.954 ( -7.070 0.000 5.639) 9.043 3.990 ( -3.920 0.000 -15.186) 15.683 4.197 ( -7.511 0.000 2.082) 7.794 4.321 ( -10.273 0.000 -0.431) 10.282 4.537 ( 0.355 -0.000 2.691) 2.714 4.682 ( -3.591 0.000 -7.389) 8.216 4.829 ( 2.088 -0.000 0.590) 2.170 4.881 ( 3.597 -0.000 16.386) 16.776 5.187 ( -6.020 0.000 2.872) 6.670 5.370 ( -11.161 0.000 -4.640) 12.087 5.407 ( 3.299 -0.000 -2.998) 4.458 5.603 ( -2.762 0.000 -7.052) 7.574 5.723 ( -4.297 0.000 4.536) 6.249 5.864 ( -1.382 0.000 -0.649) 1.527 6.137 ( 1.303 -0.000 -0.958) 1.618 6.173 ( 5.813 -0.000 3.369) 6.719 7.672 ( 6.399 -0.000 -1.753) 6.635 7.744 ( 3.678 -0.000 3.083) 4.799 7.904 ( 2.940 -0.000 -0.078) 2.941 8.083 ( 3.719 -0.000 2.974) 4.762 8.820 ( -4.540 0.000 -3.170) 5.537 8.859 ( -2.866 0.000 1.726) 3.346 9.091 ( 2.819 -0.000 -1.095) 3.025 9.135 ( -8.517 0.000 -0.253) 8.521 9.221 ( 3.351 -0.000 -3.207) 4.638 9.283 ( -4.852 0.000 -1.095) 4.975 9.606 ( 5.601 -0.000 -1.509) 5.801 9.722 ( -2.379 0.000 -3.231) 4.012 9.971 ( 1.237 -0.000 4.229) 4.406 10.054 ( 10.324 -0.000 3.258) 10.826 10.436 ( 1.414 -0.000 9.269) 9.376 10.599 ( 3.824 -0.000 -0.377) 3.843 11.032 ( -1.685 0.000 -5.534) 5.785 11.077 ( -5.328 0.000 5.837) 7.903 11.535 ( 3.005 -0.000 -3.801) 4.846 11.681 ( -2.238 0.000 -4.369) 4.908 11.780 ( 10.085 -0.000 7.136) 12.354 11.875 ( 5.119 -0.000 4.119) 6.571 12.278 ( -6.169 0.000 -1.341) 6.313 12.310 ( -11.073 0.000 -10.853) 15.505 12.471 ( -3.093 0.000 3.699) 4.822 12.631 ( 5.991 -0.000 -16.253) 17.322 12.778 ( 7.558 -0.000 0.670) 7.588 12.789 ( -1.205 0.000 8.207) 8.295 13.338 ( -1.492 0.000 -1.041) 1.819 13.380 ( 3.612 -0.000 2.573) 4.435 13.665 ( -4.061 0.000 3.356) 5.268 13.745 ( -2.406 0.000 1.086) 2.640 14.377 ( -16.957 0.000 -9.238) 19.310 14.636 ( -1.986 0.000 -4.122) 4.576 14.641 ( 2.162 -0.000 -1.259) 2.502 14.873 ( 1.313 -0.000 -0.823) 1.550 15.104 ( -7.579 0.000 2.572) 8.003 15.243 ( 0.021 -0.000 -3.760) 3.760 15.576 ( 13.678 -0.000 0.904) 13.708 16.084 ( 9.526 -0.000 2.030) 9.740 16.468 ( -6.529 0.000 -1.330) 6.663 16.521 ( -5.951 0.000 -1.055) 6.043 16.871 ( -0.680 0.000 0.652) 0.942 16.940 ( 0.460 -0.000 0.191) 0.498 17.049 ( -5.187 0.000 -1.137) 5.310 17.445 ( 2.466 -0.000 1.384) 2.827 19.617 ( 4.796 -0.000 -1.996) 5.194 19.838 ( 8.053 -0.000 4.352) 9.154 21.028 ( -0.118 0.000 2.282) 2.285 21.032 ( 0.846 -0.000 -0.902) 1.236 21.766 ( -6.026 0.000 2.823) 6.654 22.067 ( 2.530 -0.000 -2.725) 3.718 23.202 ( -1.730 0.000 2.445) 2.995 23.342 ( 2.960 -0.000 -2.193) 3.684 26.839 ( -0.255 0.000 0.200) 0.324 26.841 ( -0.126 0.000 -0.058) 0.138 29.385 ( -0.135 0.000 -2.231) 2.235 29.579 ( 2.659 -0.000 -0.827) 2.785 30.033 ( -11.272 0.000 -3.539) 11.814 30.449 ( -1.856 0.000 -0.598) 1.949 30.488 ( -3.241 0.000 1.692) 3.656 30.977 ( 3.741 -0.000 -2.389) 4.439 31.142 ( -0.753 0.000 1.778) 1.931 31.767 ( -2.193 0.000 -2.357) 3.219 31.988 ( 3.162 -0.000 0.047) 3.163 32.084 ( 7.461 -0.000 -4.196) 8.560 32.388 ( 1.158 -0.000 -4.136) 4.295 32.851 ( 34.389 -0.000 -23.925) 41.893 33.324 ( -5.802 0.000 7.145) 9.204 33.579 ( 4.298 -0.000 -10.444) 11.294 35.246 ( -2.469 0.000 1.298) 2.789 35.363 ( 1.707 -0.000 -0.555) 1.795 35.523 ( -2.889 0.000 2.525) 3.837 35.557 ( 0.580 -0.000 -5.098) 5.131 35.741 ( 0.226 -0.000 0.200) 0.302 35.854 ( 1.039 -0.000 11.189) 11.237 36.859 ( -34.439 0.000 18.256) 38.979 38.544 ( 8.737 -0.000 2.683) 9.140 ======================= Grid point 152 (74/114) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( 6.214 -5.691 -14.865) 17.087 1.906 ( -1.324 8.048 -8.503) 11.782 2.074 ( -1.039 1.163 1.411) 2.103 2.257 ( 8.957 -8.273 -12.398) 17.389 2.407 ( 3.279 2.746 3.757) 5.693 2.685 ( 0.633 -0.354 -8.708) 8.738 2.868 ( 6.671 -8.485 -3.133) 11.238 2.912 ( 5.702 -2.587 1.669) 6.480 2.964 ( -0.996 -4.020 -10.517) 11.303 3.150 ( 10.504 -5.083 1.648) 11.785 3.233 ( 0.398 0.514 7.672) 7.700 3.392 ( 3.983 -8.605 5.504) 10.964 3.573 ( 1.228 2.116 -1.470) 2.854 3.713 ( -4.677 6.942 1.888) 8.581 3.878 ( -2.770 -1.444 -6.724) 7.414 4.016 ( -4.885 -3.921 5.808) 8.542 4.151 ( -6.962 0.443 1.853) 7.218 4.240 ( -7.018 2.015 2.795) 7.818 4.495 ( -1.340 1.974 -0.672) 2.479 4.637 ( -3.359 -0.737 -6.010) 6.924 4.837 ( -0.759 0.127 -0.382) 0.860 4.945 ( 3.466 5.536 14.658) 16.047 5.131 ( -5.615 1.972 2.203) 6.346 5.336 ( -2.877 -4.300 -2.509) 5.750 5.426 ( -0.047 -2.728 -3.797) 4.675 5.560 ( -4.964 -1.784 -7.896) 9.496 5.694 ( -3.311 0.626 1.408) 3.652 5.847 ( -2.374 -0.741 -3.045) 3.931 6.061 ( 3.471 8.375 0.891) 9.109 6.185 ( 1.546 4.249 2.728) 5.281 7.665 ( 5.650 4.226 0.445) 7.069 7.783 ( -0.435 1.693 -1.206) 2.124 7.917 ( 2.356 1.816 2.352) 3.792 8.107 ( 4.009 -0.927 1.040) 4.244 8.748 ( -2.452 1.166 0.472) 2.756 8.849 ( -0.675 2.955 2.430) 3.884 9.049 ( -2.794 0.165 -1.336) 3.101 9.100 ( -4.835 -0.807 -0.834) 4.972 9.213 ( 4.998 2.286 -3.478) 6.504 9.294 ( -3.966 -2.557 -0.455) 4.741 9.602 ( 1.672 3.061 -4.105) 5.386 9.686 ( 1.176 -0.417 -3.283) 3.512 9.987 ( -1.169 1.415 4.275) 4.652 10.089 ( 7.711 5.517 0.768) 9.512 10.421 ( -2.860 5.907 5.964) 8.868 10.592 ( 2.914 3.686 -1.662) 4.984 11.034 ( -0.584 -3.664 -0.473) 3.741 11.118 ( -4.282 -5.350 3.290) 7.601 11.538 ( 1.132 -1.562 -4.725) 5.104 11.644 ( -2.487 -0.408 -4.060) 4.779 11.849 ( 10.741 4.988 5.121) 12.903 11.913 ( 1.265 1.403 1.635) 2.498 12.140 ( -4.562 2.280 -6.369) 8.160 12.273 ( -2.427 -1.621 0.665) 2.993 12.433 ( 0.092 4.118 -8.001) 8.999 12.585 ( -3.363 -2.270 -3.969) 5.676 12.729 ( 7.005 9.754 2.122) 12.194 12.827 ( 1.483 0.961 7.426) 7.633 13.266 ( -1.477 1.175 1.864) 2.653 13.615 ( 6.192 -10.281 0.273) 12.005 13.627 ( -4.406 3.369 2.157) 5.952 13.761 ( -1.489 -6.370 2.940) 7.172 14.149 ( -8.697 5.833 -7.340) 12.788 14.652 ( 2.557 -3.760 -3.899) 5.990 14.851 ( -2.332 -16.244 -1.696) 16.498 14.985 ( -0.710 -11.484 1.436) 11.595 15.126 ( -4.677 -5.634 2.823) 7.847 15.195 ( -0.113 0.494 -1.202) 1.304 15.760 ( 13.187 -6.920 -0.514) 14.901 16.140 ( 4.441 0.658 1.015) 4.603 16.361 ( -7.275 4.419 -1.623) 8.666 16.425 ( -5.575 3.942 0.147) 6.830 16.865 ( -0.001 -0.364 -0.343) 0.500 16.982 ( 0.625 -3.624 0.375) 3.696 17.081 ( -2.462 -5.841 -0.145) 6.340 17.456 ( 0.264 0.384 -0.348) 0.581 19.692 ( 5.608 -4.760 -0.653) 7.385 19.884 ( 5.461 2.605 2.929) 6.722 20.896 ( -1.605 11.799 2.740) 12.219 20.974 ( 1.855 8.672 -2.212) 9.140 21.857 ( -5.477 -11.892 3.442) 13.537 22.165 ( 1.879 -9.980 -3.676) 10.800 23.141 ( -2.571 6.363 3.061) 7.515 23.314 ( 2.366 3.976 -2.584) 5.299 26.948 ( 0.279 -11.673 -0.699) 11.697 26.983 ( -1.317 -15.420 2.541) 15.683 29.133 ( 1.618 20.779 0.396) 20.846 29.533 ( 3.112 10.755 -4.160) 11.944 30.122 ( -4.422 -17.464 -3.417) 18.336 30.482 ( -1.842 -4.382 1.336) 4.938 30.507 ( -2.606 -3.254 3.150) 5.225 31.039 ( 2.470 -4.189 -0.530) 4.892 31.183 ( 0.486 -3.335 3.385) 4.777 31.669 ( -1.830 6.677 -2.057) 7.222 31.850 ( 1.816 12.802 -1.856) 13.062 32.167 ( 5.334 -4.230 -7.888) 10.420 32.503 ( 2.045 -11.707 -3.112) 12.285 32.930 ( 26.308 1.537 -24.471) 35.962 33.294 ( -5.937 2.871 6.779) 9.458 33.530 ( 3.731 2.618 -9.246) 10.309 35.251 ( -1.618 -1.437 1.623) 2.705 35.348 ( 1.110 1.668 -1.476) 2.489 35.514 ( -3.619 -1.089 2.206) 4.376 35.588 ( 1.247 -3.798 -3.594) 5.376 35.786 ( 1.243 -3.399 3.322) 4.913 35.941 ( 0.965 -2.325 8.542) 8.905 36.709 ( -26.365 2.882 21.915) 34.405 38.459 ( 3.296 14.180 -2.994) 14.863 ======================= Grid point 153 (75/114) ======================= q-point: ( 0.50 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 7.232 -1.523 -13.423) 15.323 1.845 ( 0.856 -12.439 3.192) 12.870 2.136 ( -0.349 -2.705 6.625) 7.164 2.409 ( 6.233 -2.133 -1.554) 6.769 2.430 ( 12.650 -4.664 -9.277) 16.366 2.629 ( -5.144 0.820 -11.185) 12.338 2.857 ( -1.696 4.417 -8.033) 9.323 2.950 ( -4.365 -9.083 -2.801) 10.459 3.053 ( 1.821 -1.168 -1.692) 2.746 3.294 ( -0.250 -5.942 -1.900) 6.243 3.312 ( 10.908 -3.778 -1.926) 11.703 3.468 ( -1.995 1.930 -0.140) 2.779 3.592 ( 1.990 -1.875 -4.765) 5.493 3.649 ( 2.795 2.565 8.124) 8.966 3.876 ( -2.348 -1.489 -0.778) 2.887 4.038 ( 1.064 4.302 10.014) 10.951 4.115 ( -3.156 -0.650 -1.152) 3.422 4.162 ( -7.749 1.910 3.652) 8.777 4.501 ( -2.853 -2.498 -0.620) 3.843 4.597 ( -0.093 -0.220 -3.614) 3.622 4.803 ( -4.646 -0.583 -1.111) 4.812 4.937 ( 2.668 4.263 9.343) 10.611 5.072 ( -3.315 2.373 -0.889) 4.173 5.419 ( 3.545 -4.382 1.380) 5.803 5.458 ( -0.953 -2.950 -3.174) 4.437 5.461 ( -5.934 2.537 -1.023) 6.534 5.733 ( -1.381 -7.405 -5.457) 9.301 5.826 ( -1.508 -1.353 -4.433) 4.874 5.936 ( 2.982 9.566 3.052) 10.474 6.108 ( -1.949 5.848 4.647) 7.720 7.621 ( 2.381 4.908 1.542) 5.669 7.717 ( 0.011 2.466 -0.271) 2.481 7.876 ( 0.420 3.579 1.203) 3.799 8.192 ( 3.246 -2.784 -0.722) 4.337 8.758 ( -1.271 -1.834 1.359) 2.613 8.792 ( 2.530 4.823 4.880) 7.313 9.038 ( 2.786 2.096 -2.182) 4.113 9.077 ( -5.030 -1.402 -1.256) 5.371 9.157 ( -0.463 3.575 -1.853) 4.053 9.281 ( -3.218 0.295 -0.708) 3.309 9.542 ( 2.561 0.616 -3.144) 4.102 9.704 ( 3.080 -0.729 -3.422) 4.662 9.921 ( -6.421 6.893 0.284) 9.425 9.998 ( 1.076 5.034 0.309) 5.157 10.330 ( -0.351 5.083 3.983) 6.467 10.482 ( 1.373 7.242 -5.258) 9.054 11.124 ( -0.992 -5.394 3.205) 6.353 11.219 ( -2.450 -6.944 1.340) 7.485 11.542 ( -0.978 0.032 -1.745) 2.001 11.628 ( -0.783 -2.812 -4.200) 5.114 11.801 ( 1.599 5.752 -4.164) 7.279 11.857 ( 5.674 7.863 -0.513) 9.710 12.135 ( -0.434 -3.874 2.540) 4.653 12.287 ( 0.874 0.742 1.949) 2.261 12.309 ( -1.954 1.234 -10.486) 10.737 12.557 ( -3.587 0.636 -1.746) 4.040 12.660 ( 4.848 5.937 5.522) 9.447 12.851 ( 1.764 2.646 4.433) 5.456 13.311 ( 0.386 -4.682 3.240) 5.707 13.548 ( -2.569 1.499 3.620) 4.685 13.732 ( -0.338 -3.130 0.961) 3.292 13.891 ( -9.048 -1.474 -11.476) 14.688 14.066 ( 12.471 -3.413 6.812) 14.614 14.664 ( 2.103 3.371 -3.190) 5.095 14.992 ( -2.847 -3.133 -1.218) 4.405 15.184 ( -4.345 -12.556 5.455) 14.363 15.273 ( -3.284 -9.059 -1.092) 9.698 15.324 ( 2.511 -11.426 2.884) 12.048 15.950 ( 11.205 -4.543 -0.433) 12.099 16.113 ( -5.011 3.074 -3.902) 7.056 16.241 ( -0.237 3.908 0.312) 3.928 16.388 ( -5.443 -5.253 3.129) 8.186 16.889 ( 1.550 -1.850 -0.333) 2.436 17.050 ( -1.041 -3.260 -0.445) 3.451 17.184 ( 0.782 -5.861 1.304) 6.055 17.438 ( -1.015 0.564 -1.039) 1.558 19.850 ( 5.442 -8.275 -0.623) 9.924 19.893 ( 3.210 0.297 1.538) 3.572 20.658 ( -2.691 14.503 2.824) 15.018 20.777 ( 1.941 12.432 -3.676) 13.108 22.090 ( -4.774 -15.711 3.662) 16.824 22.362 ( 2.102 -12.589 -4.705) 13.603 22.996 ( -3.598 9.077 4.126) 10.600 23.210 ( 1.653 7.488 -3.286) 8.342 27.226 ( 2.405 -18.479 -0.291) 18.637 27.334 ( -4.671 -22.921 4.731) 23.866 28.769 ( 2.781 23.161 2.506) 23.461 29.250 ( 2.238 18.255 -7.710) 19.942 30.431 ( 2.310 -16.980 0.374) 17.141 30.577 ( -0.823 -6.544 2.679) 7.119 30.605 ( -2.728 -8.230 3.463) 9.336 31.119 ( 1.852 -2.835 0.245) 3.395 31.293 ( -0.881 -5.424 5.474) 7.756 31.511 ( -1.154 8.675 -0.950) 8.802 31.605 ( 1.080 13.986 -3.068) 14.359 32.190 ( 5.817 -1.087 -16.959) 17.962 32.731 ( 2.658 -12.959 -2.467) 13.457 32.949 ( 13.221 -0.129 -14.752) 19.810 33.212 ( -4.887 5.529 5.779) 9.373 33.442 ( 2.490 4.868 -6.853) 8.767 35.282 ( -0.703 -1.448 2.019) 2.582 35.332 ( 0.745 -0.293 -1.097) 1.358 35.522 ( -3.516 -1.796 0.910) 4.052 35.633 ( 0.236 -1.309 -0.101) 1.334 35.892 ( -1.024 -3.934 7.812) 8.806 36.043 ( 0.173 -4.825 2.544) 5.457 36.642 ( -13.386 -0.080 20.765) 24.706 38.111 ( 1.244 21.170 -10.339) 23.593 ======================= Grid point 154 (76/114) ======================= q-point: (-0.38 -0.75 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 13.477 0.339 -0.801) 13.505 2.177 ( -1.520 -5.415 0.443) 5.642 2.214 ( 3.926 -11.162 8.430) 14.528 2.396 ( -0.737 7.001 -2.275) 7.398 2.467 ( 7.688 3.846 1.059) 8.661 2.620 ( 6.973 -1.615 -3.146) 7.819 2.716 ( -5.766 -3.555 -9.478) 11.650 3.035 ( -0.150 -1.728 -2.953) 3.425 3.109 ( -9.896 -11.649 -0.294) 15.288 3.387 ( 5.494 1.490 -0.139) 5.694 3.408 ( 0.017 -10.643 -15.958) 19.181 3.427 ( 0.836 3.380 -6.996) 7.814 3.505 ( -1.725 5.122 -3.811) 6.613 3.624 ( -3.045 8.327 10.858) 14.018 3.840 ( -2.739 -0.814 -3.208) 4.296 4.020 ( 5.031 4.661 6.373) 9.362 4.125 ( -9.367 -3.742 -3.313) 10.617 4.197 ( 7.090 -3.935 11.650) 14.194 4.449 ( -5.025 1.653 -5.255) 7.456 4.627 ( 5.609 -2.418 -0.631) 6.141 4.795 ( -2.156 -1.546 -3.334) 4.261 4.955 ( -3.662 1.091 -4.477) 5.886 5.000 ( 4.466 1.810 9.361) 10.529 5.401 ( -1.909 1.426 3.174) 3.969 5.480 ( -3.828 -2.476 -2.617) 5.257 5.542 ( 5.711 -3.652 1.005) 6.853 5.761 ( -2.188 0.567 -3.346) 4.038 5.813 ( 0.037 6.221 3.824) 7.302 5.899 ( -1.367 -9.063 -3.836) 9.935 6.012 ( -3.086 5.367 4.408) 7.600 7.575 ( 2.105 2.958 3.207) 4.845 7.699 ( 1.543 1.293 1.523) 2.524 7.854 ( 2.765 1.201 1.918) 3.573 8.198 ( -3.911 0.307 -4.564) 6.018 8.767 ( 0.953 1.057 3.236) 3.535 8.793 ( 2.751 1.404 1.935) 3.644 8.962 ( -1.463 7.107 -1.648) 7.441 9.013 ( 2.002 2.962 -1.650) 3.938 9.124 ( -4.384 -2.205 -1.626) 5.170 9.260 ( -1.065 -0.408 -1.093) 1.579 9.591 ( 3.887 -1.734 -1.274) 4.443 9.692 ( -4.380 5.550 -0.133) 7.071 9.733 ( 0.580 0.401 -1.791) 1.924 9.973 ( -3.413 -2.543 -1.153) 4.410 10.234 ( -1.266 7.397 2.355) 7.866 10.384 ( 4.136 2.693 -2.728) 5.639 11.217 ( -1.173 -3.433 3.665) 5.157 11.320 ( -0.571 -4.130 0.853) 4.255 11.518 ( -2.133 0.179 2.194) 3.065 11.653 ( -2.522 3.170 -1.648) 4.373 11.698 ( 1.377 -2.259 -5.216) 5.848 11.740 ( 4.256 7.500 -3.268) 9.222 12.192 ( -1.710 -1.856 -0.219) 2.533 12.239 ( -3.406 0.483 -3.736) 5.078 12.344 ( 3.947 -5.038 -0.380) 6.411 12.523 ( -3.530 -0.094 -0.436) 3.559 12.631 ( 4.427 3.202 3.041) 6.252 12.773 ( 0.262 8.460 1.246) 8.555 13.435 ( 1.429 -6.495 2.315) 7.041 13.603 ( -0.976 -2.747 6.081) 6.744 13.738 ( -4.788 1.736 -6.449) 8.217 13.788 ( 0.215 -3.442 -1.586) 3.796 14.255 ( 13.610 1.369 3.546) 14.131 14.558 ( -3.984 4.649 0.629) 6.155 15.059 ( 0.276 -6.387 0.166) 6.395 15.322 ( -2.609 -2.088 4.421) 5.542 15.349 ( -2.348 -4.497 -3.274) 6.038 15.527 ( 0.631 -7.005 0.794) 7.078 15.970 ( -7.536 2.830 -0.925) 8.103 16.100 ( 7.078 -3.381 1.512) 7.988 16.216 ( 4.918 3.165 1.891) 6.146 16.494 ( -5.447 -9.425 -2.838) 11.250 16.943 ( 3.578 -1.901 0.359) 4.067 17.070 ( -3.104 -1.658 -1.559) 3.849 17.289 ( 2.215 -2.835 2.244) 4.240 17.416 ( -1.540 0.456 -0.174) 1.615 19.953 ( 2.159 -4.048 1.331) 4.777 20.039 ( 3.659 -8.243 -2.044) 9.247 20.403 ( -2.297 12.279 2.582) 12.756 20.547 ( 1.287 12.010 -4.243) 12.802 22.353 ( -4.380 -15.275 3.360) 16.242 22.574 ( 3.143 -11.824 -4.845) 13.159 22.833 ( -3.737 8.622 4.997) 10.643 23.045 ( 1.475 10.092 -3.519) 10.790 27.613 ( 5.409 -21.090 1.420) 21.819 27.726 ( -6.758 -23.138 3.108) 24.304 28.390 ( 2.576 23.818 4.058) 24.298 28.862 ( -0.569 20.222 -11.364) 23.203 30.683 ( 0.894 -8.855 4.499) 9.973 30.734 ( 1.414 -7.105 6.482) 9.721 30.803 ( 0.398 -12.874 -1.202) 12.936 31.183 ( 4.671 -2.013 1.224) 5.231 31.326 ( 0.615 10.479 -2.180) 10.721 31.361 ( 0.752 8.282 2.328) 8.636 31.406 ( -5.209 -1.324 2.819) 6.069 32.104 ( 5.250 2.723 -22.225) 22.999 32.934 ( 2.453 -7.115 -2.323) 7.876 32.979 ( 0.827 -2.299 -4.353) 4.991 33.128 ( 0.425 2.126 4.218) 4.743 33.323 ( 0.775 6.312 -4.164) 7.602 35.303 ( -0.729 -0.534 1.944) 2.144 35.356 ( 1.211 -1.285 0.049) 1.766 35.532 ( -3.440 -1.704 0.458) 3.866 35.627 ( -0.691 1.639 0.100) 1.781 35.979 ( -4.946 -1.949 10.901) 12.128 36.112 ( -4.855 -2.436 6.436) 8.422 36.775 ( 2.867 -9.842 8.920) 13.589 37.677 ( 0.413 19.809 -13.634) 24.051 ======================= Grid point 155 (77/114) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( 14.064 6.636 7.848) 17.419 2.104 ( -2.469 8.819 3.237) 9.714 2.207 ( 4.482 13.234 -2.305) 14.161 2.296 ( 1.386 3.983 2.487) 4.896 2.560 ( -1.707 0.256 -0.974) 1.981 2.722 ( 3.921 -5.431 6.063) 9.035 2.779 ( 1.174 -7.997 -7.970) 11.352 3.058 ( -8.353 -2.202 -5.853) 10.434 3.124 ( 1.723 1.214 -1.389) 2.525 3.279 ( -2.581 2.129 2.944) 4.457 3.396 ( 2.459 1.838 -2.561) 3.998 3.430 ( -4.108 -1.761 0.713) 4.526 3.455 ( 0.516 -1.743 -4.777) 5.111 3.604 ( 2.119 -5.874 -6.700) 9.159 3.865 ( 5.360 0.036 1.742) 5.636 4.056 ( 4.710 1.888 3.688) 6.273 4.082 ( -11.191 -4.521 -1.393) 12.150 4.311 ( -6.354 -1.063 -0.073) 6.442 4.429 ( 4.152 -2.740 2.752) 5.685 4.731 ( 10.517 -0.399 1.607) 10.646 4.781 ( -0.040 -0.913 -5.544) 5.619 4.889 ( -7.778 -4.972 -6.289) 11.170 5.119 ( 7.662 -2.785 7.880) 11.338 5.368 ( -3.639 2.349 -0.766) 4.399 5.448 ( -5.588 0.601 0.792) 5.675 5.629 ( 5.064 -1.973 -3.078) 6.245 5.687 ( -2.387 5.509 6.205) 8.634 5.756 ( 1.241 2.804 -0.113) 3.068 5.937 ( -1.717 1.272 3.530) 4.126 6.013 ( -3.715 -6.138 -4.015) 8.221 7.590 ( 4.280 0.799 4.603) 6.336 7.700 ( 1.886 1.012 1.277) 2.492 7.874 ( 1.392 0.739 2.231) 2.732 8.084 ( -6.984 2.989 -7.772) 10.869 8.753 ( 1.415 4.785 1.092) 5.108 8.774 ( 2.633 1.900 0.339) 3.265 8.877 ( -1.224 -0.231 0.751) 1.454 8.959 ( -0.789 2.662 -2.006) 3.425 9.163 ( -1.746 -6.094 -0.488) 6.358 9.262 ( 0.316 -2.122 -2.787) 3.517 9.546 ( 0.217 3.801 2.004) 4.303 9.614 ( -5.111 -0.855 -0.281) 5.190 9.858 ( 7.275 -5.368 2.054) 9.271 10.003 ( -3.729 -4.854 -3.437) 7.020 10.137 ( -1.168 4.291 5.376) 6.977 10.372 ( 2.949 0.695 -3.031) 4.286 11.264 ( -0.733 -0.607 3.359) 3.491 11.336 ( -1.420 1.162 0.367) 1.871 11.491 ( -4.824 3.769 1.390) 6.278 11.590 ( 1.025 1.376 -0.187) 1.726 11.662 ( 3.179 -0.056 -0.350) 3.199 11.756 ( 0.914 -2.803 -1.484) 3.301 12.184 ( -1.326 0.875 -3.109) 3.492 12.209 ( -0.454 -0.956 -2.663) 2.866 12.418 ( 1.689 2.984 1.754) 3.852 12.524 ( -1.493 -5.917 0.698) 6.142 12.605 ( -0.858 5.453 0.141) 5.522 12.709 ( 2.406 -4.555 -1.388) 5.335 13.529 ( -2.788 0.510 -1.990) 3.463 13.550 ( -0.326 3.792 -1.517) 4.097 13.754 ( -0.429 -5.604 4.292) 7.071 13.923 ( 4.974 -8.568 0.393) 9.915 14.223 ( 5.020 10.842 6.265) 13.491 14.485 ( -2.423 1.506 -4.061) 4.963 15.204 ( 1.773 -6.786 2.973) 7.618 15.302 ( 3.972 4.831 3.887) 7.364 15.431 ( -5.593 -9.845 -3.592) 11.879 15.494 ( -5.894 4.934 -5.000) 9.170 15.966 ( 4.826 0.336 4.849) 6.849 16.081 ( -7.086 7.350 0.083) 10.210 16.258 ( 9.904 -0.448 6.019) 11.598 16.590 ( -4.852 -9.038 -9.401) 13.914 17.013 ( 5.679 -1.882 -0.495) 6.003 17.042 ( -4.372 0.739 -1.767) 4.773 17.333 ( 1.547 0.649 2.353) 2.890 17.385 ( -2.036 1.794 0.372) 2.739 20.006 ( -0.289 8.013 -0.723) 8.051 20.055 ( 2.222 1.556 -2.275) 3.541 20.355 ( -0.873 0.228 -0.518) 1.041 20.388 ( 2.153 -4.701 -0.929) 5.254 22.565 ( -3.078 -5.814 3.658) 7.527 22.642 ( -2.542 3.727 2.371) 5.096 22.823 ( 2.828 -8.435 -2.629) 9.277 22.858 ( 0.608 7.868 -2.532) 8.288 27.922 ( 0.441 12.566 3.007) 12.928 28.049 ( 5.827 -17.094 1.250) 18.103 28.169 ( -5.158 -13.115 3.191) 14.449 28.421 ( -1.260 18.342 -13.235) 22.653 30.806 ( 0.263 3.638 6.042) 7.057 30.854 ( -2.324 -5.930 2.959) 7.023 31.027 ( 5.080 -11.876 0.086) 12.918 31.117 ( 0.304 9.071 -1.358) 9.177 31.228 ( 0.866 3.012 1.162) 3.343 31.324 ( 2.563 -0.673 0.050) 2.650 31.422 ( -2.863 -2.081 5.382) 6.442 31.957 ( 6.150 4.177 -19.504) 20.873 32.894 ( -3.035 6.600 2.611) 7.720 33.004 ( 3.697 1.691 -2.861) 4.971 33.201 ( -3.394 1.631 0.189) 3.771 33.255 ( 3.942 -7.629 -1.362) 8.695 35.318 ( -0.868 -0.162 2.984) 3.112 35.378 ( 1.267 0.125 0.192) 1.288 35.528 ( -4.655 -0.837 0.439) 4.750 35.586 ( 0.802 2.177 -0.722) 2.430 35.976 ( -5.986 4.065 11.045) 13.204 36.168 ( -7.022 -3.968 7.457) 10.985 37.085 ( 10.496 -15.208 -0.609) 18.488 37.309 ( -2.437 11.893 -10.275) 15.905 ======================= Grid point 156 (78/114) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( 4.909 15.572 5.780) 17.320 1.918 ( -1.374 14.406 7.849) 16.463 2.028 ( 8.299 8.749 -4.074) 12.728 2.179 ( 2.052 7.389 -5.531) 9.456 2.494 ( 2.767 4.280 8.987) 10.332 2.748 ( -2.310 2.289 -3.800) 5.002 2.872 ( 1.818 -3.726 -1.070) 4.282 3.032 ( -3.606 -4.248 -6.569) 8.614 3.202 ( 1.542 0.863 4.006) 4.378 3.300 ( 1.761 -5.717 5.479) 8.112 3.376 ( 2.850 2.872 -3.175) 5.143 3.455 ( 3.474 1.642 4.259) 5.736 3.480 ( -0.326 -2.938 -3.827) 4.835 3.633 ( -2.834 -1.415 -9.575) 10.085 3.938 ( 8.305 -0.451 3.979) 9.220 4.004 ( -5.608 -1.002 -2.573) 6.251 4.180 ( 1.156 -4.602 9.219) 10.369 4.277 ( -5.777 -2.780 -3.130) 7.134 4.506 ( -2.455 -3.223 2.142) 4.583 4.756 ( 3.554 -0.287 -7.481) 8.287 4.773 ( 0.800 5.344 4.108) 6.788 4.881 ( -5.335 -0.940 -6.058) 8.126 5.238 ( -9.762 -1.568 -2.149) 10.118 5.336 ( 8.550 -8.009 2.169) 11.915 5.425 ( -4.383 -0.767 4.694) 6.467 5.607 ( -3.634 4.430 4.178) 7.091 5.664 ( 4.909 -0.155 -5.204) 7.156 5.744 ( 6.547 0.975 1.281) 6.742 5.970 ( -0.600 -2.569 3.784) 4.613 6.024 ( -5.957 -1.785 -3.039) 6.921 7.646 ( 3.783 -0.295 3.473) 5.144 7.704 ( 2.518 1.061 -0.349) 2.754 7.835 ( -4.971 1.881 0.945) 5.398 7.970 ( 0.238 2.164 -4.773) 5.246 8.712 ( -0.123 0.380 0.991) 1.068 8.773 ( 1.002 -0.943 -2.296) 2.677 8.903 ( 1.227 -1.589 0.963) 2.227 8.920 ( 0.334 -0.800 -1.215) 1.493 9.278 ( -2.807 -7.879 -0.807) 8.403 9.332 ( 0.753 -5.627 0.339) 5.687 9.556 ( 4.001 0.859 3.968) 5.700 9.588 ( -1.933 -1.405 -1.950) 3.084 9.967 ( 3.889 0.602 3.774) 5.453 10.033 ( -3.330 -1.773 -3.758) 5.325 10.124 ( -2.554 -1.310 7.353) 7.893 10.375 ( 1.645 -2.427 -5.028) 5.820 11.268 ( -3.922 1.830 -0.016) 4.328 11.292 ( 2.490 2.013 1.920) 3.734 11.398 ( -4.047 3.470 2.477) 5.878 11.557 ( 1.941 0.667 -2.108) 2.942 11.731 ( -0.803 -0.811 1.706) 2.052 11.793 ( 6.739 0.210 1.320) 6.870 12.160 ( -0.471 -0.853 0.093) 0.979 12.212 ( -0.221 -2.931 -2.503) 3.861 12.384 ( 0.025 1.354 2.899) 3.200 12.537 ( 0.293 1.651 -0.973) 1.938 12.659 ( 0.285 -7.321 0.166) 7.328 12.809 ( -0.955 -5.982 -4.561) 7.583 13.396 ( -6.675 4.400 -1.026) 8.061 13.517 ( 5.188 2.671 -2.112) 6.205 13.880 ( -0.133 -2.193 6.529) 6.889 13.997 ( -2.728 7.138 -0.075) 7.642 14.219 ( 5.662 -8.266 5.574) 11.465 14.403 ( -0.687 1.523 -7.280) 7.470 15.217 ( 0.326 5.672 3.851) 6.863 15.279 ( -3.862 5.551 -2.296) 7.142 15.427 ( 5.308 -1.964 4.037) 6.951 15.536 ( -4.184 -7.814 -5.678) 10.526 15.834 ( -9.201 12.007 0.432) 15.133 15.988 ( 10.775 6.197 2.511) 12.682 16.377 ( 2.493 -2.396 6.498) 7.361 16.604 ( -6.319 -3.533 -11.273) 13.397 16.960 ( -3.842 3.166 -0.928) 5.064 17.064 ( 6.376 1.451 -3.185) 7.273 17.301 ( -4.971 1.677 1.818) 5.552 17.367 ( 3.099 1.453 1.971) 3.949 19.811 ( 0.089 9.928 0.011) 9.928 19.938 ( 4.554 10.530 -6.475) 13.173 20.440 ( -3.079 -10.833 3.687) 11.850 20.585 ( 2.707 -11.939 -2.400) 12.475 22.428 ( -3.562 12.396 4.442) 13.641 22.578 ( 2.084 10.707 -2.738) 11.246 22.838 ( -3.923 -8.100 3.396) 9.619 23.017 ( 3.260 -10.145 -3.569) 11.238 27.590 ( 1.612 22.546 5.610) 23.290 27.838 ( -6.351 22.224 -13.664) 26.850 28.492 ( -6.683 -23.012 -0.545) 23.969 28.596 ( 12.494 -21.377 2.368) 24.873 30.713 ( -1.380 7.325 3.419) 8.201 30.816 ( -1.821 7.136 -1.601) 7.536 31.038 ( -4.546 5.471 5.898) 9.241 31.182 ( -2.834 4.962 0.220) 5.718 31.232 ( -0.912 -2.734 -1.554) 3.275 31.323 ( 4.950 -11.092 -0.259) 12.149 31.508 ( -1.039 -3.430 0.325) 3.599 31.905 ( 19.201 0.849 -12.420) 22.884 32.766 ( 0.871 8.253 3.185) 8.889 32.893 ( 2.512 10.021 -3.378) 10.869 33.206 ( -4.538 -3.587 3.915) 6.984 33.414 ( 3.068 -7.987 -4.337) 9.593 35.322 ( -1.439 0.914 3.258) 3.677 35.373 ( 0.759 1.316 0.086) 1.522 35.511 ( -2.709 -0.863 0.976) 3.006 35.561 ( 0.507 1.564 0.726) 1.797 35.904 ( -4.869 4.691 7.381) 10.010 36.171 ( -3.642 2.838 0.483) 4.643 37.087 ( -16.131 -0.702 0.705) 16.161 37.489 ( 16.132 -17.517 -3.632) 24.089 ======================= Grid point 160 (79/114) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.574 ( 8.279 -0.000 -18.474) 20.244 1.899 ( -10.067 0.000 -8.235) 13.006 1.909 ( -15.866 0.000 -14.631) 21.582 2.128 ( 11.363 -0.000 -27.526) 29.779 2.564 ( -0.902 0.000 4.624) 4.711 2.737 ( 10.455 -0.000 -10.539) 14.845 2.769 ( 4.160 -0.000 15.865) 16.402 2.839 ( -3.031 0.000 -2.697) 4.057 3.004 ( 13.891 -0.000 -1.504) 13.973 3.215 ( 10.793 -0.000 -0.365) 10.800 3.308 ( 3.366 -0.000 7.153) 7.906 3.368 ( 6.132 -0.000 4.233) 7.451 3.611 ( 1.378 -0.000 2.644) 2.981 3.750 ( -7.035 0.000 2.583) 7.494 3.797 ( -1.114 0.000 -8.345) 8.420 3.988 ( -3.057 0.000 15.149) 15.454 4.106 ( -7.175 0.000 2.906) 7.741 4.244 ( -3.047 0.000 3.236) 4.445 4.505 ( -3.637 0.000 -0.414) 3.661 4.564 ( -1.477 0.000 -5.882) 6.065 4.835 ( -0.169 0.000 -2.657) 2.662 5.013 ( -11.515 0.000 3.872) 12.149 5.137 ( -4.329 0.000 1.883) 4.721 5.305 ( 7.772 -0.000 7.138) 10.552 5.384 ( 0.323 -0.000 -6.834) 6.842 5.459 ( -3.305 0.000 -6.361) 7.169 5.658 ( -5.645 0.000 -2.569) 6.202 5.802 ( -3.333 0.000 -3.272) 4.671 6.165 ( 2.730 -0.000 0.580) 2.791 6.241 ( 0.643 -0.000 -0.328) 0.722 7.764 ( 3.868 -0.000 -0.184) 3.873 7.784 ( -2.931 0.000 -0.445) 2.964 7.968 ( 4.823 -0.000 1.684) 5.109 8.106 ( -0.141 0.000 0.928) 0.939 8.773 ( 0.424 -0.000 1.852) 1.900 8.826 ( -3.874 0.000 1.099) 4.027 9.010 ( -6.481 0.000 0.885) 6.541 9.089 ( 1.507 -0.000 -5.095) 5.313 9.239 ( 3.999 -0.000 -6.419) 7.563 9.261 ( 0.613 -0.000 2.717) 2.785 9.621 ( -4.978 0.000 -5.555) 7.459 9.639 ( 3.253 -0.000 -4.495) 5.549 10.041 ( 0.327 -0.000 5.923) 5.932 10.213 ( 7.863 -0.000 1.635) 8.031 10.470 ( -9.432 0.000 4.270) 10.353 10.625 ( 0.904 -0.000 -1.741) 1.961 10.987 ( 2.979 -0.000 -3.828) 4.850 11.052 ( -6.437 0.000 4.766) 8.010 11.482 ( -0.997 0.000 -6.868) 6.940 11.598 ( -1.594 0.000 -5.025) 5.272 11.906 ( -3.376 0.000 -3.776) 5.065 12.010 ( 5.163 -0.000 11.148) 12.286 12.174 ( 6.973 -0.000 0.524) 6.992 12.223 ( 0.705 -0.000 0.769) 1.043 12.446 ( -3.098 0.000 -17.504) 17.776 12.522 ( 0.703 -0.000 7.358) 7.392 12.888 ( 3.282 -0.000 4.035) 5.201 12.927 ( 4.758 -0.000 3.541) 5.931 13.306 ( -1.124 0.000 -1.048) 1.537 13.449 ( -0.378 0.000 -0.322) 0.497 13.642 ( -3.053 0.000 2.638) 4.035 13.747 ( -0.890 0.000 2.426) 2.584 14.137 ( 3.155 -0.000 -0.244) 3.165 14.603 ( 0.391 -0.000 -1.908) 1.948 14.651 ( 1.363 -0.000 -1.797) 2.256 14.913 ( 2.839 -0.000 1.151) 3.064 15.040 ( -5.235 0.000 2.654) 5.869 15.204 ( 0.748 -0.000 -4.288) 4.353 15.781 ( 11.286 -0.000 0.427) 11.294 16.189 ( 2.388 -0.000 0.353) 2.414 16.347 ( -6.406 0.000 -1.244) 6.526 16.412 ( -5.350 0.000 -2.008) 5.715 16.875 ( 0.491 -0.000 0.349) 0.602 16.946 ( -0.478 0.000 -0.078) 0.484 17.002 ( -0.423 0.000 1.200) 1.273 17.445 ( -1.796 0.000 -2.507) 3.084 19.695 ( 5.780 -0.000 1.054) 5.875 19.956 ( 1.961 -0.000 2.121) 2.888 21.041 ( -1.286 0.000 1.711) 2.141 21.046 ( 1.708 -0.000 -0.284) 1.731 21.717 ( -5.223 0.000 3.696) 6.399 22.055 ( 1.547 -0.000 -4.594) 4.847 23.197 ( -2.378 0.000 2.163) 3.215 23.347 ( 1.415 -0.000 -3.095) 3.403 26.838 ( -0.148 0.000 0.257) 0.296 26.841 ( 0.091 -0.000 0.090) 0.127 29.438 ( 4.851 -0.000 3.414) 5.932 29.572 ( 0.065 -0.000 -3.698) 3.698 29.903 ( 0.054 -0.000 -0.027) 0.060 30.446 ( 0.370 -0.000 2.042) 2.076 30.481 ( -1.733 0.000 3.184) 3.625 31.027 ( 4.460 -0.000 0.056) 4.460 31.169 ( -0.011 0.000 2.912) 2.912 31.693 ( -2.246 0.000 -5.504) 5.944 32.014 ( 0.868 -0.000 -1.177) 1.462 32.107 ( 2.322 -0.000 -3.863) 4.507 32.361 ( 1.477 -0.000 -3.945) 4.213 32.973 ( 25.349 -0.000 -35.797) 43.864 33.316 ( -5.521 0.000 6.750) 8.720 33.533 ( 4.414 -0.000 -8.680) 9.738 35.237 ( -1.413 0.000 2.411) 2.795 35.380 ( 2.238 -0.000 -1.847) 2.902 35.483 ( -4.750 0.000 1.292) 4.923 35.516 ( 1.523 -0.000 -4.497) 4.748 35.791 ( 3.363 -0.000 3.161) 4.615 35.979 ( -2.125 0.000 9.120) 9.364 36.703 ( -20.256 0.000 30.719) 36.796 38.563 ( -3.826 0.000 -6.253) 7.330 ======================= Grid point 161 (80/114) ======================= q-point: (-0.50 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.609 ( 5.074 -7.272 -10.472) 13.722 1.703 ( -7.196 -4.060 -11.513) 14.171 1.935 ( -13.949 -14.238 -8.467) 21.656 2.152 ( 7.632 -12.344 -25.389) 29.244 2.494 ( -0.634 4.388 6.760) 8.084 2.681 ( 11.788 7.620 -8.513) 16.417 2.807 ( -6.244 -1.006 -6.182) 8.844 2.879 ( 0.730 -0.250 -3.696) 3.776 3.124 ( 8.849 1.824 6.081) 10.890 3.256 ( 5.010 1.791 -3.179) 6.198 3.370 ( 8.982 -1.759 5.844) 10.860 3.484 ( 1.160 -1.220 3.127) 3.552 3.566 ( -1.021 2.624 -1.872) 3.381 3.765 ( 5.643 0.116 8.147) 9.911 3.790 ( -3.802 -4.062 -0.829) 5.625 4.028 ( -8.429 -1.434 3.967) 9.426 4.155 ( -0.403 -0.845 15.193) 15.222 4.226 ( 0.371 2.316 4.884) 5.418 4.459 ( -1.389 0.997 -0.483) 1.777 4.551 ( -0.964 -1.819 -2.404) 3.165 4.784 ( -2.415 1.990 -2.823) 4.215 4.962 ( -7.020 -2.755 -1.921) 7.782 5.074 ( -3.816 2.921 -1.610) 5.068 5.343 ( -3.239 -2.422 -7.903) 8.878 5.412 ( 1.638 -0.696 0.567) 1.868 5.453 ( 3.025 -1.612 3.942) 5.224 5.621 ( -1.898 -1.740 -2.559) 3.630 5.767 ( -1.917 -0.937 -3.625) 4.207 6.126 ( 2.347 6.878 0.761) 7.308 6.197 ( -1.488 3.435 0.222) 3.750 7.706 ( -3.872 3.291 -1.410) 5.273 7.755 ( -0.542 1.447 -0.345) 1.583 7.969 ( 4.823 4.552 2.132) 6.966 8.155 ( 0.400 -2.590 0.936) 2.783 8.748 ( -1.265 1.120 1.470) 2.240 8.885 ( 2.190 -2.248 2.661) 4.114 8.964 ( -4.741 -1.227 0.708) 4.948 9.068 ( 2.715 0.754 -4.817) 5.580 9.209 ( 1.508 1.927 -6.091) 6.564 9.267 ( -1.045 1.326 -0.212) 1.702 9.546 ( -2.011 0.346 -3.158) 3.760 9.657 ( 1.699 -2.235 -5.002) 5.736 10.018 ( -2.297 5.920 5.423) 8.350 10.167 ( 1.705 10.268 -1.034) 10.460 10.389 ( -4.692 1.578 3.212) 5.901 10.574 ( -0.281 5.038 -3.907) 6.382 11.044 ( -0.421 -4.303 1.991) 4.759 11.084 ( -1.586 -6.341 0.493) 6.555 11.473 ( -0.928 -3.593 -5.629) 6.742 11.564 ( -1.296 -0.580 -4.764) 4.971 11.842 ( -2.096 3.044 -1.816) 4.118 12.078 ( 1.917 1.656 9.794) 10.117 12.142 ( 5.018 8.215 -4.252) 10.524 12.273 ( -2.578 2.790 -7.127) 8.076 12.297 ( 4.714 -0.847 -0.496) 4.816 12.565 ( -2.136 0.979 2.760) 3.625 12.846 ( 3.446 7.396 3.499) 8.878 12.934 ( 4.304 2.053 2.620) 5.441 13.274 ( 0.139 -1.326 1.851) 2.281 13.516 ( -7.181 -4.368 -3.259) 9.015 13.670 ( -2.107 -3.824 1.326) 4.564 13.741 ( -2.256 -0.796 -2.455) 3.428 14.225 ( 15.760 2.607 10.529) 19.133 14.630 ( 0.700 -3.214 -4.294) 5.410 14.837 ( 0.708 -16.261 1.960) 16.394 15.000 ( 0.250 -5.253 1.913) 5.596 15.090 ( -3.319 -7.394 1.183) 8.191 15.204 ( 1.887 -4.261 -0.804) 4.729 15.918 ( 7.773 -6.143 -1.223) 9.983 16.136 ( -4.111 5.047 -2.530) 6.984 16.270 ( -2.375 1.995 0.950) 3.244 16.362 ( -2.041 1.326 -0.327) 2.456 16.880 ( 2.163 -0.553 0.379) 2.264 16.977 ( -0.959 -3.485 -0.930) 3.732 17.085 ( 0.851 -6.292 2.690) 6.895 17.409 ( -3.071 -0.544 -3.933) 5.019 19.782 ( 5.263 -3.987 1.394) 6.748 19.942 ( -0.526 2.073 0.465) 2.188 20.897 ( -2.222 12.357 2.533) 12.808 20.980 ( 2.212 9.524 -2.111) 10.003 21.823 ( -4.877 -12.100 4.613) 13.838 22.139 ( 1.736 -10.140 -5.450) 11.642 23.130 ( -3.076 6.307 2.763) 7.541 23.302 ( 1.116 3.944 -3.788) 5.581 26.961 ( 1.856 -12.793 0.176) 12.929 26.978 ( -2.210 -14.853 1.537) 15.095 29.211 ( 3.351 21.291 4.021) 21.925 29.482 ( -0.996 10.953 -6.559) 12.805 30.165 ( 6.656 -17.812 8.536) 20.843 30.501 ( 0.913 -3.567 2.521) 4.462 30.514 ( -0.946 -3.323 3.221) 4.724 31.091 ( 4.188 -2.738 0.663) 5.048 31.220 ( -0.981 -3.932 2.989) 5.035 31.601 ( -2.197 4.043 -5.955) 7.525 31.843 ( 0.262 13.339 -1.965) 13.486 32.115 ( 2.081 -0.493 -11.360) 11.559 32.498 ( 0.973 -12.802 -1.983) 12.991 32.932 ( 15.974 -0.444 -32.133) 35.887 33.286 ( -4.334 2.950 5.872) 7.872 33.498 ( 4.562 2.919 -7.082) 8.916 35.258 ( -1.150 -1.685 2.605) 3.308 35.350 ( 1.613 2.189 -1.647) 3.179 35.466 ( -5.161 -1.552 1.678) 5.644 35.573 ( 2.850 -4.792 -3.845) 6.773 35.868 ( 3.414 -3.077 4.323) 6.310 35.998 ( -4.277 -1.259 4.588) 6.398 36.744 ( -10.849 3.455 35.807) 37.573 38.344 ( -5.863 13.215 -12.951) 19.410 ======================= Grid point 162 (81/114) ======================= q-point: (-0.38 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.796 ( 11.451 -9.555 -8.567) 17.200 1.832 ( -7.797 -19.706 3.492) 21.478 2.067 ( -12.758 -15.209 -0.030) 19.852 2.350 ( -2.517 -12.753 -12.385) 17.954 2.513 ( -0.634 -5.806 -5.479) 8.008 2.601 ( 17.038 5.269 -7.130) 19.207 2.713 ( -2.544 1.900 -3.155) 4.476 2.855 ( -3.349 -1.813 -2.980) 4.835 3.063 ( 0.558 6.685 -0.482) 6.726 3.232 ( 1.164 0.239 -5.912) 6.030 3.426 ( -1.807 3.331 -2.356) 4.462 3.460 ( 3.892 3.087 -2.690) 5.650 3.592 ( 7.212 0.380 2.130) 7.530 3.783 ( -3.929 -1.771 -1.581) 4.590 3.841 ( 0.058 6.698 11.767) 13.540 3.999 ( -7.576 -1.507 -0.004) 7.724 4.163 ( 3.065 3.467 6.564) 8.031 4.296 ( 5.217 0.687 14.110) 15.059 4.419 ( -2.216 2.045 -3.221) 4.412 4.584 ( -0.377 -3.000 -0.031) 3.024 4.763 ( 0.793 -0.889 0.086) 1.195 4.920 ( -4.075 1.884 -7.960) 9.139 5.044 ( 1.255 -3.651 2.470) 4.583 5.335 ( -6.041 -5.656 -8.276) 11.704 5.409 ( -2.583 -0.186 2.228) 3.417 5.546 ( 6.282 -1.766 2.413) 6.957 5.670 ( 0.725 -4.406 -1.933) 4.866 5.774 ( -0.589 -3.139 -2.235) 3.898 5.994 ( -0.311 8.614 3.570) 9.329 6.117 ( -1.139 5.580 1.636) 5.926 7.645 ( 0.497 1.697 1.174) 2.122 7.723 ( -1.498 0.483 -0.772) 1.753 7.954 ( 7.040 4.075 4.376) 9.236 8.144 ( -6.545 0.896 -2.712) 7.141 8.753 ( -0.779 -1.603 2.794) 3.314 8.910 ( 2.353 2.592 4.360) 5.591 8.988 ( -2.414 -1.718 -2.037) 3.596 9.058 ( 3.697 1.304 -2.623) 4.717 9.122 ( -0.730 5.170 -3.172) 6.109 9.208 ( -2.785 0.027 -5.681) 6.327 9.569 ( 1.777 -3.364 -0.645) 3.859 9.687 ( 2.991 -2.233 -4.337) 5.723 9.851 ( -5.315 11.146 4.235) 13.055 9.982 ( -1.765 7.573 -1.179) 7.865 10.346 ( -2.179 4.600 2.262) 5.570 10.448 ( 1.668 4.751 -3.615) 6.199 11.144 ( -2.026 -6.310 3.729) 7.604 11.222 ( 2.552 -7.058 0.414) 7.517 11.503 ( -1.055 -1.903 -2.058) 2.995 11.563 ( -1.473 -4.125 -3.694) 5.730 11.735 ( -3.087 6.093 -0.058) 6.831 11.918 ( 1.250 10.832 -9.175) 14.250 12.128 ( -4.350 -2.866 3.021) 6.022 12.215 ( 3.228 2.499 -2.107) 4.594 12.344 ( 3.230 -0.226 3.078) 4.467 12.502 ( -3.047 1.992 -1.795) 4.059 12.791 ( 4.255 6.089 4.829) 8.860 12.910 ( 1.952 5.493 0.374) 5.841 13.373 ( 3.744 -5.332 3.552) 7.420 13.535 ( -5.108 -5.580 0.133) 7.566 13.675 ( -4.952 0.739 -4.045) 6.437 13.727 ( 0.658 -2.058 -1.088) 2.420 14.384 ( 13.712 -1.296 7.972) 15.914 14.606 ( -3.988 2.996 -5.323) 7.294 14.988 ( 1.444 -2.269 3.373) 4.314 15.179 ( -3.432 -6.923 0.138) 7.728 15.237 ( 0.311 -12.636 2.845) 12.956 15.397 ( 3.451 -10.965 1.626) 11.610 15.964 ( -8.545 4.749 -1.547) 9.898 16.057 ( 6.277 -4.074 -4.655) 8.813 16.294 ( -3.605 -4.876 2.075) 6.409 16.349 ( 5.196 1.235 1.903) 5.670 16.937 ( 3.707 -2.298 0.939) 4.461 17.007 ( -2.496 -1.977 -1.816) 3.666 17.230 ( 1.596 -6.385 3.021) 7.242 17.389 ( -2.188 -1.732 -2.920) 4.039 19.917 ( 1.891 -5.060 -0.101) 5.403 19.923 ( 0.985 -2.830 0.092) 2.998 20.646 ( -2.751 14.734 2.593) 15.211 20.770 ( 2.438 13.545 -3.359) 14.166 22.066 ( -4.586 -15.515 4.801) 16.876 22.338 ( 2.663 -13.329 -5.718) 14.747 22.988 ( -3.485 8.510 4.380) 10.185 23.189 ( 1.489 7.294 -4.138) 8.517 27.288 ( -4.419 -21.106 1.895) 21.646 27.302 ( 5.686 -20.851 1.222) 21.647 28.861 ( 2.802 23.649 4.955) 24.324 29.149 ( -2.401 19.504 -8.761) 21.516 30.565 ( 6.746 -12.804 7.107) 16.124 30.590 ( -2.045 -7.608 2.502) 8.266 30.654 ( 2.760 -8.421 7.228) 11.436 31.184 ( 5.546 -3.257 0.653) 6.464 31.298 ( -4.755 -4.747 2.913) 7.323 31.462 ( -2.494 6.588 -4.268) 8.237 31.592 ( 0.886 13.783 -1.531) 13.896 32.024 ( 2.801 0.766 -23.480) 23.659 32.729 ( -0.689 -13.142 -1.079) 13.205 32.910 ( 5.405 -3.554 -15.521) 16.815 33.222 ( -1.976 4.535 4.715) 6.834 33.419 ( 4.015 5.619 -5.568) 8.871 35.292 ( -1.330 -1.385 1.811) 2.639 35.340 ( 1.523 -0.647 -0.858) 1.864 35.475 ( -5.304 -2.307 2.760) 6.409 35.631 ( 2.334 -1.013 -2.417) 3.509 35.953 ( -3.300 -2.452 6.555) 7.737 36.059 ( -0.004 -5.009 2.786) 5.732 36.818 ( -2.014 2.748 29.443) 29.640 37.928 ( -3.514 18.577 -17.676) 25.882 ======================= Grid point 163 (82/114) ======================= q-point: (-0.25 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 3.159 -8.093 -0.125) 8.688 2.097 ( -2.761 -11.449 -0.005) 11.777 2.230 ( -4.985 -1.093 2.896) 5.867 2.336 ( -13.758 -7.971 -1.127) 15.940 2.517 ( 3.942 3.687 -4.615) 7.101 2.688 ( 8.755 -5.437 -3.265) 10.811 2.820 ( 14.921 1.315 5.707) 16.029 2.870 ( -7.042 -8.525 -5.665) 12.424 2.985 ( -5.285 -4.599 -3.061) 7.646 3.263 ( 3.304 -7.634 -12.489) 15.005 3.347 ( -0.299 2.913 -5.321) 6.074 3.369 ( -0.190 1.378 -4.940) 5.132 3.521 ( -3.464 9.247 3.580) 10.503 3.686 ( 3.264 8.720 4.868) 10.507 3.843 ( -8.412 -2.989 0.475) 8.940 4.006 ( 8.390 0.292 2.982) 8.909 4.177 ( 6.097 2.546 5.308) 8.475 4.274 ( -7.872 3.660 -0.091) 8.682 4.447 ( 3.924 -1.321 6.481) 7.691 4.638 ( -6.683 -5.486 -3.476) 9.319 4.780 ( 2.368 -0.073 -2.573) 3.497 4.810 ( 2.788 2.029 -6.422) 7.289 5.197 ( 7.098 -3.902 8.387) 11.660 5.325 ( -7.166 -2.257 -6.573) 9.982 5.409 ( -3.284 -0.512 4.169) 5.332 5.608 ( 3.496 -0.500 -4.728) 5.901 5.738 ( 1.425 -3.167 2.628) 4.355 5.808 ( -2.059 -0.820 -2.307) 3.199 5.926 ( -0.172 1.462 5.371) 5.569 6.007 ( 0.038 5.938 2.101) 6.299 7.657 ( 3.048 0.399 3.151) 4.402 7.715 ( 0.366 -0.483 -0.875) 1.065 7.954 ( 0.601 4.489 3.113) 5.496 8.028 ( -5.050 1.644 -3.995) 6.646 8.808 ( -0.694 -1.052 3.701) 3.910 8.883 ( 2.374 4.820 2.015) 5.738 8.915 ( -1.171 5.335 -0.966) 5.546 8.993 ( -0.853 3.516 -3.966) 5.368 9.079 ( -0.732 -1.851 0.402) 2.031 9.193 ( 1.393 -2.637 -6.234) 6.911 9.590 ( -4.451 2.735 -0.907) 5.302 9.651 ( 2.972 3.924 1.426) 5.125 9.817 ( 5.260 -4.880 2.979) 7.769 9.888 ( -3.418 -0.891 -2.651) 4.416 10.243 ( -1.898 5.307 3.590) 6.683 10.388 ( 0.583 2.324 -3.948) 4.618 11.248 ( -0.635 -3.508 3.716) 5.150 11.332 ( 1.037 -2.206 0.700) 2.536 11.506 ( -2.831 0.071 0.949) 2.986 11.608 ( -5.114 -0.687 0.128) 5.161 11.635 ( -0.661 -0.349 -0.753) 1.061 11.741 ( 2.931 2.858 -7.325) 8.392 12.159 ( -1.531 -2.602 -0.735) 3.108 12.195 ( 3.740 1.651 -1.031) 4.216 12.406 ( 0.952 -2.897 3.229) 4.441 12.459 ( -3.551 -0.976 -2.140) 4.259 12.722 ( 2.609 7.365 2.264) 8.135 12.782 ( 1.380 8.051 -0.950) 8.224 13.511 ( 3.249 -2.688 1.749) 4.565 13.589 ( -2.465 2.120 -2.724) 4.242 13.628 ( -3.328 -7.992 2.889) 9.127 13.808 ( 3.474 -6.134 -2.063) 7.345 14.422 ( -9.743 8.053 -2.003) 12.799 14.516 ( 9.185 0.897 2.672) 9.607 15.116 ( 3.666 -7.023 4.986) 9.361 15.227 ( -3.731 -5.501 -4.611) 8.090 15.395 ( 1.441 -1.470 4.246) 4.719 15.511 ( -0.571 2.087 -2.623) 3.400 15.920 ( -2.891 -6.529 5.469) 8.994 16.114 ( 1.263 0.692 -2.905) 3.242 16.322 ( -9.443 -6.142 -3.947) 11.936 16.434 ( 13.590 0.982 2.273) 13.813 16.993 ( -2.636 -1.584 -1.058) 3.252 17.020 ( 3.914 -1.764 -0.036) 4.293 17.328 ( -1.531 -2.128 1.718) 3.135 17.398 ( 0.616 -0.840 -0.398) 1.115 19.978 ( -0.919 -5.658 1.074) 5.832 20.053 ( 2.022 -4.809 -3.192) 6.116 20.406 ( -1.238 10.100 2.660) 10.518 20.526 ( 1.941 13.280 -3.788) 13.945 22.330 ( -4.346 -14.847 4.574) 16.132 22.567 ( 3.443 -12.926 -5.306) 14.391 22.839 ( -2.946 8.622 5.499) 10.642 23.030 ( 2.207 9.475 -3.753) 10.427 27.640 ( -6.288 -22.548 0.646) 23.417 27.759 ( 10.641 -21.255 2.113) 23.863 28.485 ( 2.212 24.182 5.727) 24.949 28.695 ( -3.899 22.030 -10.335) 24.645 30.714 ( -2.033 -8.287 2.464) 8.881 30.818 ( 2.947 -9.234 -0.516) 9.706 30.887 ( 2.320 -6.008 11.957) 13.581 31.278 ( 3.729 2.993 -6.844) 8.349 31.286 ( -0.208 5.858 2.003) 6.194 31.341 ( -5.304 -5.008 -0.504) 7.312 31.389 ( -1.141 7.655 3.041) 8.315 31.915 ( 5.920 -0.493 -22.212) 22.993 32.879 ( -4.877 -5.675 -1.098) 7.563 32.981 ( 3.517 -6.129 -3.495) 7.883 33.173 ( -0.363 1.502 2.937) 3.319 33.305 ( 3.165 6.903 -3.839) 8.509 35.312 ( -1.517 -1.111 2.087) 2.808 35.370 ( 1.350 -1.535 -1.094) 2.319 35.483 ( -5.500 -1.180 2.620) 6.206 35.628 ( 2.837 1.661 -1.308) 3.538 36.009 ( -6.605 -3.247 8.428) 11.190 36.129 ( -3.378 0.187 8.791) 9.419 36.978 ( 6.667 -6.059 12.557) 15.454 37.487 ( -1.360 17.293 -17.376) 24.552 ======================= Grid point 164 (83/114) ======================= q-point: (-0.12 -0.62 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.018 ( -8.932 4.230 -7.943) 12.680 2.087 ( -0.369 2.840 2.872) 4.056 2.207 ( 0.264 8.753 -1.114) 8.828 2.352 ( 2.924 2.981 -3.024) 5.156 2.505 ( -2.012 -8.056 2.305) 8.618 2.689 ( 1.910 7.840 -2.614) 8.482 2.873 ( -2.965 -3.517 -4.622) 6.521 2.965 ( 7.256 1.369 4.066) 8.429 3.126 ( -2.046 -10.899 6.737) 12.976 3.279 ( 1.176 0.104 -1.655) 2.034 3.343 ( -0.987 -6.694 -3.296) 7.527 3.414 ( 2.048 0.814 -2.760) 3.532 3.491 ( 7.835 -6.484 -3.482) 10.749 3.611 ( 5.259 4.863 -0.458) 7.177 3.816 ( -10.858 -4.856 -0.205) 11.896 4.107 ( 12.525 2.433 4.896) 13.666 4.169 ( -5.349 -0.375 -3.470) 6.387 4.237 ( 4.556 -0.961 5.481) 7.191 4.449 ( -8.868 1.092 2.076) 9.173 4.675 ( -4.012 -6.195 -2.854) 7.913 4.731 ( -1.474 -0.800 -8.121) 8.292 4.878 ( 6.103 -1.876 2.198) 6.752 5.193 ( -7.753 5.063 -3.748) 9.989 5.333 ( 3.780 -0.843 4.408) 5.868 5.428 ( -1.965 -0.350 5.358) 5.718 5.584 ( -0.789 0.058 -4.568) 4.636 5.769 ( 4.196 4.204 1.269) 6.074 5.820 ( 3.133 0.264 0.411) 3.170 5.894 ( -6.430 -3.155 1.793) 7.384 6.004 ( 3.154 1.133 2.804) 4.370 7.676 ( -0.024 1.016 -0.683) 1.224 7.722 ( 0.850 0.132 -2.194) 2.357 7.831 ( -7.209 1.666 0.375) 7.409 8.020 ( 5.986 2.697 2.350) 6.973 8.746 ( -2.846 3.627 -1.609) 4.883 8.799 ( 0.370 3.559 -1.519) 3.888 8.907 ( 1.572 0.169 2.677) 3.109 8.927 ( 1.183 1.520 -1.309) 2.329 9.138 ( -1.095 -4.962 0.668) 5.125 9.256 ( 3.585 -4.376 -1.612) 5.883 9.528 ( -3.403 -1.166 0.787) 3.682 9.650 ( 4.911 2.953 4.256) 7.138 9.895 ( -4.033 -5.384 -4.936) 8.344 9.973 ( 3.732 -4.627 1.675) 6.176 10.182 ( -2.351 3.207 5.629) 6.891 10.325 ( -0.672 0.352 -5.986) 6.034 11.281 ( -1.794 0.959 1.606) 2.592 11.346 ( 1.429 0.726 3.210) 3.588 11.444 ( -3.468 3.324 0.594) 4.840 11.548 ( -3.047 0.180 -1.032) 3.222 11.688 ( -0.087 -3.533 -0.125) 3.537 11.804 ( 5.703 -5.162 -1.399) 7.819 12.169 ( 2.649 1.426 -0.417) 3.037 12.193 ( 1.522 0.915 -1.242) 2.167 12.417 ( -2.936 1.180 -0.217) 3.171 12.523 ( -0.903 -7.568 2.260) 7.950 12.605 ( 0.879 6.306 -0.492) 6.386 12.716 ( 0.932 -0.284 -1.953) 2.182 13.448 ( -3.098 5.820 0.086) 6.594 13.596 ( 5.537 0.606 -0.034) 5.570 13.792 ( -2.092 -8.552 4.418) 9.851 13.937 ( -0.009 -6.336 -6.030) 8.747 14.206 ( -9.872 4.034 0.161) 10.666 14.508 ( 7.037 6.918 -0.460) 9.879 15.269 ( -2.276 -3.744 0.825) 4.458 15.313 ( -3.037 -4.157 0.374) 5.162 15.348 ( -0.699 1.505 -1.122) 2.003 15.471 ( 6.936 0.489 3.554) 7.808 15.964 ( -6.837 9.469 -1.645) 11.795 16.097 ( 3.536 -3.921 5.756) 7.811 16.363 ( -7.049 -7.886 -7.458) 12.942 16.494 ( 9.764 3.742 1.865) 10.621 16.968 ( -2.659 1.058 -1.485) 3.224 17.093 ( 5.171 -1.777 -0.194) 5.471 17.302 ( -4.952 1.808 0.297) 5.280 17.416 ( 2.006 0.601 1.284) 2.456 19.989 ( -0.082 9.168 -1.062) 9.229 20.072 ( 2.439 -0.708 -1.669) 3.039 20.328 ( -1.356 3.505 -0.307) 3.771 20.413 ( 2.159 -7.174 -1.349) 7.612 22.557 ( -3.409 -10.717 3.970) 11.926 22.634 ( -2.092 9.552 2.774) 10.164 22.819 ( 1.508 -5.926 -3.236) 6.918 22.869 ( 3.091 4.503 -1.527) 5.671 27.960 ( -1.485 -5.859 2.817) 6.669 28.049 ( -1.939 1.022 -4.620) 5.113 28.130 ( -3.717 15.220 1.478) 15.737 28.404 ( 11.208 -7.396 -1.854) 13.556 30.820 ( -3.786 -0.133 2.034) 4.300 30.859 ( -2.559 2.460 3.526) 5.003 31.071 ( 0.034 -4.074 -2.009) 4.543 31.122 ( 2.886 -0.113 -1.243) 3.145 31.245 ( -2.408 2.651 0.283) 3.592 31.313 ( 0.232 3.392 2.547) 4.248 31.396 ( -6.068 -4.438 -2.802) 8.023 31.938 ( 16.254 -4.269 -12.505) 20.947 32.880 ( -1.770 2.113 1.819) 3.302 33.041 ( 4.150 2.611 -1.759) 5.209 33.148 ( -3.577 1.778 0.059) 3.994 33.282 ( 1.779 -5.693 -1.603) 6.177 35.326 ( -2.330 -0.516 2.142) 3.206 35.388 ( 0.291 0.048 -0.647) 0.711 35.478 ( -2.564 -1.350 1.774) 3.398 35.611 ( 2.749 2.369 0.050) 3.629 36.015 ( -6.912 4.018 11.641) 14.122 36.139 ( -6.718 -1.547 7.232) 9.991 37.097 ( -3.103 11.208 -9.620) 15.093 37.292 ( 10.842 -13.279 -1.588) 17.216 ======================= Grid point 169 (84/114) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -20.172 0.000 -11.247) 23.096 1.539 ( 1.390 -0.000 -8.536) 8.648 1.564 ( -7.116 0.000 -16.774) 18.221 1.946 ( 9.827 -0.000 -29.226) 30.834 2.547 ( -10.965 0.000 -1.588) 11.079 2.739 ( -5.757 0.000 3.404) 6.688 2.793 ( 10.140 -0.000 -9.058) 13.596 2.864 ( 0.202 -0.000 2.107) 2.116 3.272 ( 10.852 -0.000 3.679) 11.459 3.284 ( 2.504 -0.000 -4.097) 4.801 3.442 ( 6.824 -0.000 5.181) 8.568 3.522 ( 8.087 -0.000 4.753) 9.380 3.638 ( -2.090 0.000 1.240) 2.431 3.652 ( -6.782 0.000 -0.680) 6.816 3.869 ( 9.708 -0.000 8.773) 13.085 3.974 ( -8.631 0.000 3.382) 9.270 4.245 ( 0.906 -0.000 18.878) 18.900 4.250 ( -3.470 0.000 4.749) 5.882 4.469 ( -1.732 0.000 2.484) 3.028 4.548 ( 8.082 -0.000 -1.783) 8.276 4.789 ( 1.934 -0.000 -7.605) 7.847 4.815 ( -9.220 0.000 -4.981) 10.480 5.074 ( -4.011 0.000 -1.160) 4.175 5.234 ( -6.083 0.000 -10.201) 11.877 5.402 ( -0.419 0.000 1.272) 1.340 5.527 ( 6.288 -0.000 5.434) 8.310 5.589 ( 0.773 -0.000 -0.533) 0.939 5.722 ( -1.839 0.000 -3.675) 4.110 6.193 ( -3.983 0.000 -2.230) 4.564 6.209 ( 2.281 -0.000 -0.373) 2.311 7.685 ( -4.438 0.000 -1.124) 4.578 7.743 ( -2.685 0.000 -1.106) 2.904 8.087 ( 5.433 -0.000 2.781) 6.104 8.129 ( -1.695 0.000 1.927) 2.566 8.760 ( -4.234 0.000 -1.195) 4.400 8.840 ( 4.933 -0.000 -1.104) 5.056 8.955 ( -3.145 0.000 0.594) 3.201 9.062 ( 4.313 -0.000 -5.476) 6.971 9.211 ( 2.068 -0.000 -3.721) 4.258 9.270 ( -2.655 0.000 -2.246) 3.478 9.498 ( -4.444 0.000 -0.857) 4.526 9.632 ( 3.009 -0.000 -4.314) 5.259 10.105 ( -0.246 0.000 5.963) 5.968 10.269 ( -4.549 0.000 -1.335) 4.741 10.392 ( 0.131 -0.000 4.978) 4.979 10.595 ( -0.440 0.000 -3.471) 3.499 10.987 ( -6.894 0.000 2.379) 7.293 11.038 ( 7.412 -0.000 -1.514) 7.566 11.398 ( -0.452 0.000 -4.526) 4.549 11.521 ( -0.477 0.000 -6.299) 6.317 11.862 ( -0.501 0.000 1.705) 1.777 12.064 ( -9.865 0.000 0.469) 9.876 12.238 ( -2.335 0.000 -6.141) 6.570 12.334 ( 9.067 -0.000 0.628) 9.089 12.365 ( 10.658 -0.000 7.113) 12.814 12.565 ( -4.014 0.000 1.271) 4.211 12.956 ( 3.395 -0.000 -0.860) 3.503 12.974 ( 0.881 -0.000 0.330) 0.941 13.290 ( 0.076 -0.000 0.132) 0.152 13.362 ( -4.844 0.000 -2.749) 5.570 13.637 ( -1.594 0.000 2.739) 3.169 13.715 ( -1.438 0.000 -1.815) 2.316 14.506 ( 19.558 -0.000 16.713) 25.726 14.597 ( 1.575 -0.000 0.809) 1.771 14.643 ( 0.542 -0.000 -2.320) 2.382 14.953 ( 0.540 -0.000 -0.271) 0.604 15.006 ( -2.428 0.000 1.628) 2.923 15.165 ( 1.022 -0.000 -5.348) 5.445 15.896 ( 2.059 -0.000 2.591) 3.310 16.149 ( -4.588 0.000 -4.758) 6.610 16.291 ( 0.732 -0.000 -0.211) 0.762 16.344 ( -0.597 0.000 -1.692) 1.794 16.892 ( 1.034 -0.000 0.484) 1.141 16.928 ( -0.580 0.000 -1.093) 1.237 17.055 ( 2.401 -0.000 4.701) 5.279 17.339 ( -5.107 0.000 -6.521) 8.283 19.800 ( 4.794 -0.000 2.953) 5.631 19.938 ( -4.496 0.000 -1.331) 4.689 21.029 ( -2.337 0.000 1.156) 2.608 21.074 ( 2.089 -0.000 -0.012) 2.089 21.697 ( -4.295 0.000 5.812) 7.227 22.018 ( 1.695 -0.000 -6.125) 6.355 23.183 ( -2.366 0.000 2.052) 3.131 23.324 ( 1.187 -0.000 -3.793) 3.974 26.840 ( -0.052 0.000 0.288) 0.292 26.844 ( 0.091 -0.000 0.109) 0.142 29.492 ( -0.121 0.000 -0.868) 0.876 29.516 ( -1.613 0.000 -3.373) 3.739 30.118 ( 9.925 -0.000 21.014) 23.239 30.495 ( 2.468 -0.000 2.129) 3.259 30.501 ( 0.546 -0.000 2.347) 2.410 31.103 ( 5.140 -0.000 -0.019) 5.140 31.193 ( -0.234 0.000 1.904) 1.918 31.543 ( -3.821 0.000 -15.932) 16.384 31.988 ( -2.323 0.000 -1.361) 2.693 32.080 ( 0.247 -0.000 -4.131) 4.138 32.349 ( 1.463 -0.000 -2.059) 2.526 32.816 ( 12.091 -0.000 -41.349) 43.080 33.313 ( -3.508 0.000 5.203) 6.275 33.529 ( 6.074 -0.000 -6.460) 8.867 35.246 ( -1.928 0.000 3.071) 3.626 35.386 ( 0.795 -0.000 -1.881) 2.042 35.422 ( -3.756 0.000 0.412) 3.779 35.517 ( 4.431 -0.000 -2.948) 5.322 35.899 ( 4.936 -0.000 4.457) 6.651 35.964 ( -7.312 0.000 3.066) 7.929 36.961 ( -3.356 0.000 45.228) 45.352 38.317 ( -9.550 0.000 -17.350) 19.804 ======================= Grid point 170 (85/114) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.436 ( -15.899 -14.450 -0.021) 21.484 1.532 ( -19.478 -20.666 -12.458) 31.011 1.677 ( 13.897 -9.734 -6.408) 18.137 1.989 ( 5.243 -12.934 -21.058) 25.263 2.391 ( -17.824 -0.013 -4.112) 18.292 2.698 ( -4.253 2.576 5.186) 7.185 2.771 ( 6.615 3.874 -6.257) 9.895 2.854 ( 1.510 2.871 -2.914) 4.360 3.205 ( 1.170 5.803 -0.653) 5.956 3.300 ( 4.319 4.210 -1.703) 6.267 3.492 ( -2.729 5.964 0.564) 6.583 3.540 ( 0.812 4.166 -0.139) 4.246 3.628 ( 6.911 -6.634 4.388) 10.537 3.682 ( -1.030 -0.813 -3.328) 3.577 3.920 ( -9.013 1.804 3.818) 9.953 4.027 ( 12.175 -1.234 9.044) 15.217 4.242 ( -0.628 0.652 6.170) 6.236 4.357 ( -3.340 -1.332 10.581) 11.175 4.504 ( 3.467 0.431 4.295) 5.537 4.580 ( 3.479 3.204 2.400) 5.304 4.745 ( 5.790 -3.295 -2.604) 7.153 4.826 ( -1.639 -4.176 -10.037) 10.994 5.023 ( -0.050 1.460 2.587) 2.971 5.146 ( -6.382 -2.670 -10.294) 12.402 5.410 ( -1.197 0.382 3.764) 3.968 5.582 ( 4.666 -0.182 -0.554) 4.703 5.628 ( 2.076 -2.077 1.591) 3.340 5.707 ( -1.820 -2.138 -3.719) 4.660 6.109 ( -3.697 4.480 0.861) 5.872 6.195 ( 1.093 2.811 -0.629) 3.080 7.663 ( -0.162 0.238 1.273) 1.305 7.716 ( -0.236 1.039 -0.430) 1.149 8.089 ( -2.186 1.774 1.608) 3.242 8.110 ( -1.241 2.599 1.150) 3.101 8.734 ( -1.241 -1.057 1.753) 2.394 8.909 ( 2.821 -3.888 -6.351) 7.963 8.924 ( -3.365 -0.382 0.753) 3.469 9.093 ( 6.143 -1.315 -3.830) 7.358 9.186 ( 0.321 3.400 -1.223) 3.628 9.193 ( -3.069 3.425 -2.558) 5.262 9.496 ( -3.404 -3.040 0.495) 4.590 9.647 ( 2.953 -1.878 -4.271) 5.522 10.040 ( -2.095 9.802 5.869) 11.615 10.149 ( 0.031 9.042 -0.083) 9.042 10.401 ( -0.935 2.521 3.558) 4.459 10.528 ( 0.690 4.635 -3.715) 5.980 11.014 ( -3.975 -6.602 2.151) 8.001 11.147 ( 7.361 -5.349 -0.093) 9.099 11.416 ( -0.318 -3.634 -2.129) 4.223 11.494 ( -0.540 -1.492 -5.790) 6.004 11.819 ( -4.229 5.267 2.960) 7.375 11.964 ( -6.946 2.197 -7.877) 10.730 12.132 ( -4.900 5.527 3.618) 8.225 12.343 ( 6.952 4.580 -2.196) 8.609 12.434 ( 7.030 4.332 7.359) 11.061 12.498 ( -5.404 2.206 -3.310) 6.711 12.923 ( 2.834 3.351 1.879) 4.774 12.995 ( 3.299 1.875 -1.734) 4.172 13.330 ( 4.002 -4.513 3.118) 6.790 13.375 ( -4.828 -5.042 -3.008) 7.601 13.643 ( -2.913 -0.258 1.702) 3.383 13.717 ( 1.052 -0.753 -0.727) 1.484 14.520 ( 6.175 3.958 3.749) 8.238 14.566 ( -3.077 2.220 -5.306) 6.523 14.945 ( -0.234 -9.423 7.428) 12.001 15.005 ( 0.625 -11.429 2.605) 11.739 15.106 ( 7.295 -4.812 -0.704) 8.768 15.210 ( 2.074 -10.707 -3.451) 11.439 15.955 ( -3.166 -1.271 2.154) 4.034 16.017 ( -4.446 2.752 -3.976) 6.569 16.284 ( 1.771 2.299 0.560) 2.955 16.377 ( 5.248 -3.537 -1.389) 6.479 16.921 ( 0.354 -1.989 0.324) 2.046 16.949 ( 0.966 -2.490 -1.283) 2.963 17.153 ( 2.096 -5.158 5.107) 7.555 17.288 ( -4.686 -3.227 -6.340) 8.519 19.869 ( 3.289 -2.262 2.194) 4.555 19.885 ( -5.353 -0.250 -1.867) 5.675 20.885 ( -2.746 12.327 2.167) 12.814 20.995 ( 2.530 10.274 -1.804) 10.733 21.818 ( -4.066 -11.564 6.923) 14.078 22.104 ( 2.395 -10.720 -6.241) 12.634 23.119 ( -2.561 6.075 3.366) 7.402 23.279 ( 1.935 3.964 -3.785) 5.812 26.956 ( -2.009 -12.816 0.542) 12.984 27.010 ( 4.258 -16.840 0.522) 17.378 29.281 ( 0.460 18.253 3.093) 18.518 29.386 ( -2.301 12.717 -5.128) 13.904 30.436 ( 3.723 -10.717 15.188) 18.958 30.539 ( 3.257 -2.083 2.583) 4.649 30.581 ( 3.026 -6.269 6.745) 9.693 31.157 ( 4.392 -2.489 -5.739) 7.644 31.213 ( -3.203 -1.889 1.750) 4.109 31.433 ( -3.109 -2.559 -15.986) 16.485 31.820 ( -1.194 11.949 -0.820) 12.036 31.982 ( -0.277 6.558 -13.593) 15.095 32.485 ( -0.876 -12.159 -0.775) 12.215 32.735 ( 3.894 -6.981 -26.230) 27.421 33.295 ( -2.101 2.540 4.228) 5.361 33.511 ( 6.394 3.522 -5.740) 9.286 35.260 ( -2.212 -1.447 2.237) 3.463 35.357 ( 0.853 1.482 -1.267) 2.128 35.409 ( -4.376 -1.624 1.920) 5.047 35.597 ( 5.061 -4.059 -2.949) 7.127 35.928 ( -5.026 -0.738 3.051) 5.926 35.994 ( 3.427 -3.820 2.988) 5.938 37.139 ( 1.449 8.766 44.803) 45.675 38.042 ( -6.904 10.417 -20.996) 24.434 ======================= Grid point 171 (86/114) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( -16.745 -20.119 -5.550) 26.758 1.891 ( -0.705 -25.098 1.769) 25.170 2.004 ( -1.933 -13.951 3.209) 14.445 2.053 ( -12.302 -10.430 -2.452) 16.314 2.410 ( 2.438 -14.864 -11.077) 18.697 2.608 ( -9.794 4.522 -0.594) 10.804 2.741 ( 5.564 0.320 -5.640) 7.929 2.814 ( -1.873 -2.883 -0.837) 3.539 3.106 ( 4.803 7.249 0.887) 8.741 3.236 ( 5.597 4.283 -3.300) 7.782 3.381 ( 0.014 4.786 -0.119) 4.787 3.432 ( -1.943 5.860 -2.335) 6.600 3.598 ( -4.391 2.300 -5.442) 7.361 3.766 ( -7.363 2.018 4.841) 9.041 3.836 ( 4.593 1.032 1.840) 5.054 4.137 ( 6.726 2.450 4.847) 8.645 4.285 ( 4.825 2.380 4.785) 7.200 4.331 ( -0.761 3.411 1.202) 3.696 4.528 ( -1.850 -0.260 -0.522) 1.939 4.547 ( 6.421 4.575 6.758) 10.384 4.768 ( -0.734 1.793 -9.965) 10.151 4.871 ( 7.934 0.540 2.594) 8.365 5.140 ( 1.211 -9.741 1.754) 9.972 5.160 ( -0.057 -7.021 -1.499) 7.179 5.410 ( -2.882 0.374 3.894) 4.859 5.602 ( 3.139 -0.451 -5.508) 6.355 5.687 ( -1.033 -3.254 1.776) 3.848 5.724 ( -0.852 -3.062 -2.954) 4.339 6.015 ( -3.435 4.855 3.427) 6.864 6.133 ( 2.627 4.858 1.039) 5.620 7.678 ( 0.785 -0.547 0.887) 1.305 7.714 ( 2.872 0.299 0.758) 2.985 7.952 ( -12.009 4.076 -4.159) 13.346 8.107 ( 3.909 2.484 4.622) 6.543 8.783 ( -2.070 -2.184 3.229) 4.413 8.899 ( -3.329 -1.722 -0.764) 3.825 8.969 ( 2.295 0.063 -1.193) 2.588 9.028 ( -3.300 4.653 -5.079) 7.637 9.126 ( 1.095 3.911 1.004) 4.184 9.164 ( 6.743 -0.150 -1.138) 6.840 9.542 ( -3.455 -4.043 -1.555) 5.541 9.672 ( 0.672 -1.062 -4.782) 4.944 9.892 ( 1.381 6.623 6.703) 9.523 9.977 ( 2.411 10.848 1.157) 11.173 10.321 ( -3.828 4.735 1.495) 6.270 10.439 ( 1.269 4.822 -2.354) 5.514 11.156 ( -0.039 -8.096 2.368) 8.435 11.294 ( 4.926 -4.824 1.173) 6.994 11.454 ( -2.635 -2.480 -2.613) 4.463 11.517 ( -0.749 -3.800 -1.345) 4.100 11.684 ( -5.505 5.216 1.570) 7.745 11.781 ( -5.124 6.839 -3.588) 9.268 12.095 ( -3.413 -2.302 2.432) 4.781 12.303 ( 7.459 3.926 -1.657) 8.590 12.409 ( -3.409 0.537 -3.538) 4.943 12.432 ( 1.224 3.295 4.103) 5.403 12.876 ( 1.984 5.899 -0.017) 6.224 12.926 ( 2.393 6.732 -1.299) 7.262 13.437 ( -3.068 -7.223 -2.469) 8.227 13.500 ( 6.487 -5.670 4.128) 9.554 13.607 ( -3.775 1.561 1.714) 4.430 13.757 ( 3.760 -2.331 -0.530) 4.455 14.402 ( -12.929 4.398 -8.060) 15.858 14.562 ( 2.780 -2.110 1.987) 4.016 15.038 ( -2.942 -6.547 0.510) 7.196 15.167 ( 5.160 -1.561 1.191) 5.521 15.325 ( 4.406 -9.895 3.809) 11.482 15.465 ( 5.812 -9.941 -2.209) 11.725 15.839 ( -7.541 0.968 1.525) 7.755 16.054 ( -1.557 -4.615 -2.271) 5.374 16.241 ( -1.185 4.085 1.170) 4.411 16.529 ( 13.788 -4.584 -0.776) 14.551 16.936 ( -2.392 -1.757 -1.736) 3.438 17.017 ( 4.038 -2.427 0.599) 4.749 17.265 ( -2.491 -3.973 0.449) 4.711 17.334 ( 0.517 -6.057 -1.189) 6.195 19.872 ( -4.505 -3.934 -0.709) 6.022 19.952 ( 1.603 -4.854 -1.670) 5.378 20.635 ( -2.572 14.219 2.593) 14.681 20.776 ( 2.788 14.348 -2.801) 14.883 22.066 ( -3.824 -14.619 6.952) 16.633 22.317 ( 3.139 -14.076 -5.772) 15.534 23.001 ( -1.806 7.845 5.489) 9.743 23.175 ( 2.732 7.241 -3.730) 8.591 27.226 ( -4.056 -19.262 0.305) 19.687 27.463 ( 13.172 -24.147 0.881) 27.520 28.938 ( -0.862 22.425 3.949) 22.787 29.015 ( -2.483 21.982 -6.153) 22.962 30.576 ( -1.500 -6.234 -0.332) 6.420 30.681 ( 4.324 -7.814 0.106) 8.931 30.853 ( 0.852 -9.168 17.198) 19.508 31.126 ( -9.631 -5.955 -17.920) 21.198 31.271 ( 0.940 -2.817 1.276) 3.233 31.401 ( 2.093 3.073 1.687) 4.083 31.593 ( -0.502 13.109 0.753) 13.140 31.808 ( 3.020 -0.447 -19.707) 19.942 32.672 ( -4.633 -11.216 -1.900) 12.283 32.821 ( 0.837 -10.372 -7.007) 12.545 33.245 ( -0.978 3.922 3.241) 5.181 33.439 ( 6.066 6.451 -4.792) 10.068 35.281 ( -2.025 -1.628 1.179) 2.853 35.352 ( 0.933 -0.747 -0.863) 1.474 35.427 ( -4.880 -2.213 3.398) 6.345 35.654 ( 2.461 -0.737 -1.454) 2.953 35.947 ( -3.245 -2.389 4.169) 5.798 36.117 ( 2.033 -4.913 2.559) 5.901 37.175 ( 1.225 11.095 32.030) 33.919 37.664 ( -0.946 14.930 -20.492) 25.372 ======================= Grid point 172 (87/114) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.782 ( -16.219 -13.794 -14.561) 25.795 1.910 ( -15.642 -8.095 3.724) 18.002 2.285 ( 1.001 -4.033 5.798) 7.133 2.349 ( -3.704 -0.177 -0.784) 3.790 2.418 ( 3.205 -8.936 2.002) 9.702 2.670 ( -0.715 -6.425 -5.436) 8.447 2.830 ( 7.850 -9.445 -10.652) 16.257 2.871 ( -6.429 -10.006 3.602) 12.427 3.098 ( 2.364 1.319 5.731) 6.338 3.235 ( 3.768 -2.403 -3.535) 5.698 3.329 ( 3.030 1.155 2.351) 4.006 3.337 ( 1.049 0.146 -1.840) 2.123 3.486 ( 1.655 5.628 -1.903) 6.167 3.686 ( -7.417 -1.102 -0.023) 7.498 3.850 ( 7.627 7.302 5.663) 11.982 4.118 ( -3.701 0.410 -1.557) 4.036 4.193 ( -1.525 4.853 -3.578) 6.220 4.363 ( 11.549 3.705 3.774) 12.703 4.466 ( -1.852 3.293 0.720) 3.846 4.603 ( 4.770 0.092 6.187) 7.813 4.686 ( -0.459 1.094 -8.990) 9.068 4.906 ( 4.741 0.261 2.289) 5.271 5.158 ( -5.666 -0.293 -6.260) 8.449 5.374 ( 1.193 -0.929 4.768) 5.002 5.417 ( 0.793 -4.332 5.979) 7.426 5.576 ( 1.126 1.272 -4.706) 5.003 5.763 ( -0.434 -5.119 -1.754) 5.428 5.775 ( -2.923 -4.923 2.370) 6.197 5.894 ( -3.496 6.130 -0.141) 7.058 6.114 ( 6.532 3.237 2.903) 7.847 7.676 ( -2.981 2.050 -4.798) 6.009 7.712 ( -1.798 0.396 -0.509) 1.910 7.811 ( -3.447 1.070 1.226) 3.812 8.126 ( 3.951 1.259 3.769) 5.604 8.762 ( -4.115 1.866 -0.836) 4.595 8.841 ( -3.433 4.341 -3.732) 6.675 8.935 ( -0.673 -0.785 2.750) 2.938 8.977 ( 1.966 3.588 -1.096) 4.236 9.110 ( 0.709 0.165 3.789) 3.859 9.234 ( 7.317 -1.728 0.096) 7.519 9.513 ( -3.585 0.920 -0.388) 3.721 9.711 ( 1.788 -4.432 -1.962) 5.166 9.838 ( 1.804 6.456 -0.340) 6.712 9.927 ( 2.663 -2.511 3.959) 5.392 10.229 ( -4.737 2.754 1.564) 5.698 10.338 ( 0.011 4.969 -3.334) 5.983 11.270 ( 0.235 -2.737 1.091) 2.956 11.378 ( -0.884 -0.034 5.254) 5.328 11.437 ( -1.283 -1.388 -3.740) 4.190 11.537 ( -4.465 1.368 2.602) 5.346 11.626 ( -0.886 -2.212 -1.514) 2.823 11.721 ( 0.508 -3.837 -0.528) 3.907 12.163 ( 1.136 -4.143 1.476) 4.542 12.289 ( 7.802 4.607 -0.319) 9.066 12.362 ( -4.131 -1.120 -4.050) 5.893 12.436 ( -1.946 -2.479 4.096) 5.168 12.740 ( 0.986 8.124 -3.320) 8.831 12.813 ( 2.884 8.096 0.081) 8.595 13.516 ( -0.091 -1.113 -2.993) 3.194 13.567 ( 0.043 -2.595 3.933) 4.712 13.679 ( 1.686 -5.815 4.304) 7.429 13.834 ( 3.698 -3.324 -3.579) 6.127 14.173 ( -14.707 4.015 -4.902) 16.014 14.609 ( 0.991 0.058 -0.348) 1.052 15.123 ( -2.385 -6.295 -3.319) 7.505 15.277 ( 6.700 -2.523 4.806) 8.623 15.418 ( 0.534 2.923 -0.511) 3.015 15.534 ( 3.172 -0.922 2.375) 4.068 15.948 ( -2.682 -9.685 4.466) 10.997 16.104 ( -11.620 -4.703 -4.120) 13.196 16.126 ( 3.353 4.299 -0.967) 5.537 16.666 ( 14.540 1.942 -0.568) 14.680 16.943 ( -0.887 -1.056 -1.580) 2.097 17.090 ( 3.840 -2.335 0.649) 4.541 17.277 ( -4.674 -0.854 -0.663) 4.797 17.418 ( 0.942 -2.399 0.045) 2.577 19.950 ( -3.456 -8.118 0.182) 8.825 20.033 ( 1.388 -3.608 -4.736) 6.113 20.421 ( -1.039 8.300 2.785) 8.816 20.524 ( 2.732 14.291 -2.905) 14.837 22.331 ( -3.410 -13.971 6.330) 15.713 22.560 ( 3.236 -13.441 -4.912) 14.672 22.868 ( -1.470 9.439 5.232) 10.892 23.031 ( 2.864 9.181 -3.205) 10.137 27.560 ( -4.217 -21.976 -0.306) 22.379 27.969 ( 14.829 -17.428 -0.200) 22.884 28.514 ( -3.671 21.882 -3.756) 22.503 28.601 ( 0.956 21.393 2.120) 21.519 30.696 ( -1.861 -8.428 -0.066) 8.631 30.852 ( 1.925 -7.409 -0.620) 7.680 30.997 ( -3.498 -0.239 3.854) 5.210 31.078 ( -7.342 -7.471 -11.298) 15.406 31.276 ( 0.522 5.021 0.542) 5.077 31.352 ( 0.158 4.971 0.138) 4.975 31.409 ( -2.878 4.972 7.240) 9.243 31.864 ( 11.719 -8.092 -12.475) 18.933 32.796 ( -4.952 -8.088 0.105) 9.484 32.981 ( 0.013 -8.373 -1.519) 8.510 33.189 ( -0.453 2.971 1.805) 3.506 33.330 ( 4.907 7.683 -3.361) 9.716 35.300 ( -2.041 -1.403 1.170) 2.739 35.372 ( -0.464 -1.207 -0.909) 1.580 35.448 ( -1.953 -1.591 3.326) 4.173 35.661 ( 0.754 0.781 0.281) 1.121 35.991 ( -5.241 -2.715 5.895) 8.342 36.181 ( -2.831 1.134 7.419) 8.022 37.210 ( 3.958 -0.880 11.894) 12.567 37.294 ( 2.470 15.865 -16.030) 22.688 ======================= Grid point 178 (88/114) ======================= q-point: (-0.38 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -22.663 0.000 -3.980) 23.009 1.168 ( -21.271 0.000 -0.908) 21.291 1.644 ( 12.187 -0.000 -3.832) 12.775 1.840 ( 11.627 -0.000 -17.160) 20.728 2.187 ( -28.758 0.000 0.434) 28.761 2.750 ( -3.624 0.000 6.590) 7.521 2.762 ( -5.345 0.000 -4.245) 6.826 2.903 ( 5.242 -0.000 -3.179) 6.130 3.246 ( -2.300 0.000 -2.063) 3.090 3.351 ( 2.925 -0.000 -3.504) 4.565 3.519 ( -5.105 0.000 -4.394) 6.736 3.539 ( -6.345 0.000 -1.903) 6.624 3.603 ( 3.039 -0.000 4.437) 5.378 3.759 ( 13.812 -0.000 -0.649) 13.827 3.899 ( -6.202 0.000 2.602) 6.726 4.132 ( 6.637 -0.000 5.010) 8.316 4.290 ( 4.569 -0.000 6.140) 7.654 4.380 ( -1.369 0.000 9.041) 9.144 4.519 ( 2.824 -0.000 7.321) 7.847 4.667 ( -0.303 0.000 -9.461) 9.466 4.682 ( 2.163 -0.000 -10.001) 10.232 4.766 ( 10.417 -0.000 1.452) 10.518 5.063 ( -3.449 0.000 -1.472) 3.750 5.098 ( 5.137 -0.000 8.397) 9.844 5.433 ( -1.355 0.000 4.402) 4.606 5.586 ( 0.762 -0.000 -6.820) 6.862 5.637 ( 1.342 -0.000 2.313) 2.674 5.643 ( -0.136 0.000 -3.685) 3.688 6.120 ( -4.311 0.000 1.286) 4.499 6.220 ( 0.389 -0.000 -1.014) 1.086 7.692 ( 2.319 -0.000 3.656) 4.330 7.746 ( 3.771 -0.000 1.521) 4.066 8.035 ( -10.657 0.000 -1.579) 10.774 8.167 ( 1.494 -0.000 3.200) 3.532 8.725 ( 0.164 -0.000 1.468) 1.478 8.850 ( 0.034 -0.000 -6.457) 6.457 8.900 ( 0.533 -0.000 -1.064) 1.190 9.100 ( 6.157 -0.000 -3.367) 7.017 9.152 ( -6.642 0.000 -3.245) 7.393 9.259 ( 3.542 -0.000 2.310) 4.229 9.443 ( -4.721 0.000 1.933) 5.101 9.621 ( 1.182 -0.000 -4.436) 4.591 10.192 ( 1.908 -0.000 6.606) 6.876 10.211 ( -0.721 0.000 0.044) 0.722 10.462 ( -0.425 0.000 4.320) 4.340 10.558 ( 2.761 -0.000 -3.998) 4.858 10.923 ( -2.973 0.000 0.711) 3.057 11.162 ( 9.492 -0.000 0.338) 9.498 11.381 ( 0.679 -0.000 0.983) 1.195 11.433 ( -0.731 0.000 -7.740) 7.775 11.859 ( -10.168 0.000 -3.547) 10.769 11.885 ( -4.091 0.000 6.399) 7.595 12.171 ( -6.494 0.000 1.153) 6.596 12.398 ( 2.031 -0.000 -4.868) 5.274 12.449 ( -4.838 0.000 -5.646) 7.435 12.628 ( 10.416 -0.000 9.962) 14.413 12.972 ( 2.403 -0.000 -4.274) 4.903 13.018 ( 4.784 -0.000 -0.082) 4.785 13.302 ( -0.069 0.000 -1.101) 1.104 13.328 ( 3.090 -0.000 3.099) 4.376 13.647 ( -1.458 0.000 2.541) 2.930 13.689 ( -0.221 0.000 -0.814) 0.843 14.589 ( 0.621 -0.000 0.288) 0.684 14.610 ( -1.521 0.000 -3.531) 3.845 14.844 ( -8.001 0.000 -13.264) 15.490 14.906 ( 5.591 -0.000 10.872) 12.225 15.002 ( 1.272 -0.000 -1.593) 2.039 15.137 ( 3.569 -0.000 -3.960) 5.330 15.947 ( -10.754 0.000 -10.266) 14.867 15.983 ( 2.009 -0.000 10.953) 11.136 16.323 ( 2.512 -0.000 -1.028) 2.714 16.352 ( 3.657 -0.000 -1.242) 3.862 16.912 ( 0.709 -0.000 -1.544) 1.699 16.915 ( 0.856 -0.000 0.957) 1.284 17.167 ( 2.881 -0.000 7.496) 8.031 17.172 ( -5.707 0.000 -7.080) 9.094 19.815 ( -7.719 0.000 -3.004) 8.283 19.898 ( 2.671 -0.000 3.987) 4.799 21.001 ( -2.710 0.000 1.002) 2.889 21.105 ( 2.187 -0.000 -0.307) 2.208 21.725 ( -2.681 0.000 9.102) 9.488 21.978 ( 2.517 -0.000 -6.377) 6.856 23.179 ( -1.605 0.000 2.994) 3.398 23.311 ( 2.302 -0.000 -3.096) 3.858 26.842 ( -0.051 0.000 0.202) 0.209 26.846 ( 0.063 -0.000 -0.014) 0.065 29.466 ( -1.616 0.000 -0.603) 1.725 29.470 ( -0.929 0.000 -0.320) 0.982 30.439 ( -1.089 0.000 13.109) 13.154 30.554 ( 3.127 -0.000 0.419) 3.155 30.607 ( 4.812 -0.000 13.811) 14.625 31.042 ( -6.698 0.000 -41.014) 41.558 31.225 ( 1.888 -0.000 3.397) 3.886 31.241 ( -1.570 0.000 -4.389) 4.661 31.919 ( -5.194 0.000 -0.344) 5.205 32.030 ( -1.209 0.000 -3.167) 3.389 32.356 ( 0.768 -0.000 0.136) 0.780 32.495 ( -1.001 0.000 -26.005) 26.024 33.326 ( -1.422 0.000 3.473) 3.753 33.564 ( 7.280 -0.000 -5.627) 9.201 35.243 ( -2.757 0.000 2.989) 4.066 35.343 ( -3.755 0.000 0.088) 3.756 35.405 ( 0.942 -0.000 -1.300) 1.605 35.578 ( 6.609 -0.000 -2.017) 6.910 35.876 ( -6.208 0.000 0.653) 6.242 36.024 ( 4.385 -0.000 4.418) 6.225 37.560 ( 10.763 -0.000 49.528) 50.684 37.955 ( -6.028 0.000 -23.106) 23.880 ======================= Grid point 179 (89/114) ======================= q-point: (-0.25 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( -19.679 -16.627 -2.606) 25.894 1.303 ( -13.779 -30.468 12.645) 35.750 1.766 ( -14.922 -5.431 0.951) 15.908 1.919 ( 16.073 -8.691 1.353) 18.322 2.105 ( -8.058 -10.308 -2.155) 13.261 2.628 ( -12.874 4.621 -1.397) 13.750 2.740 ( -5.626 0.818 4.451) 7.220 2.844 ( 2.514 7.019 -6.997) 10.225 3.197 ( -1.253 1.855 0.186) 2.246 3.311 ( 1.228 2.956 -4.792) 5.763 3.426 ( -5.698 2.163 -7.555) 9.707 3.483 ( 0.768 1.453 1.421) 2.173 3.612 ( 1.113 3.201 -1.256) 3.614 3.832 ( 3.713 -1.789 -0.607) 4.166 3.842 ( 0.209 4.811 0.507) 4.842 4.194 ( 1.248 -0.758 2.894) 3.242 4.349 ( 5.221 0.077 -1.416) 5.410 4.412 ( 3.019 2.106 2.846) 4.653 4.559 ( 2.065 1.989 0.470) 2.905 4.669 ( 1.902 -5.346 -8.801) 10.472 4.701 ( 7.269 -1.645 0.099) 7.454 4.924 ( 8.278 -5.839 6.366) 11.965 5.030 ( 1.398 3.528 2.823) 4.729 5.172 ( 7.410 1.113 8.925) 11.653 5.423 ( -3.499 1.357 2.612) 4.572 5.545 ( -1.466 -2.086 -7.996) 8.393 5.653 ( 1.285 -0.629 0.046) 1.432 5.677 ( 1.221 -2.069 -0.415) 2.438 6.071 ( -4.086 3.037 2.117) 5.513 6.204 ( 0.465 1.383 0.037) 1.459 7.710 ( 1.508 1.482 2.838) 3.539 7.758 ( 1.056 2.566 -0.162) 2.780 7.921 ( -8.249 2.705 -0.691) 8.709 8.169 ( -0.127 2.034 1.896) 2.784 8.752 ( -0.681 -0.899 1.485) 1.865 8.836 ( -2.754 -2.490 1.670) 4.071 8.952 ( 5.354 -3.533 -1.519) 6.592 9.043 ( -5.422 3.412 -4.266) 7.697 9.154 ( 4.096 -0.504 -0.496) 4.156 9.267 ( 4.224 2.911 2.264) 5.608 9.449 ( -3.323 -2.763 1.438) 4.555 9.617 ( -0.460 -1.613 -3.893) 4.239 10.094 ( -0.716 10.745 3.426) 11.300 10.169 ( 1.459 6.106 -0.746) 6.322 10.403 ( -3.581 6.446 3.374) 8.109 10.538 ( 5.252 4.669 -1.064) 7.108 11.017 ( 2.435 -9.240 1.695) 9.705 11.270 ( 8.189 -3.229 0.213) 8.805 11.387 ( -2.148 -1.046 -2.889) 3.749 11.446 ( 0.767 -3.648 0.750) 3.802 11.729 ( -8.334 4.428 2.139) 9.677 11.847 ( -7.891 4.921 2.289) 9.577 12.074 ( -7.073 2.600 2.787) 8.035 12.358 ( 1.202 1.134 -4.352) 4.656 12.376 ( -1.503 1.256 -4.969) 5.341 12.613 ( 4.258 10.402 4.740) 12.199 12.942 ( 1.159 2.165 -4.798) 5.390 13.028 ( 4.067 3.057 -1.514) 5.309 13.318 ( 0.022 -3.136 -0.534) 3.181 13.468 ( 7.176 -6.610 5.031) 10.977 13.625 ( -2.657 1.574 3.093) 4.371 13.738 ( 2.064 -3.186 -0.556) 3.837 14.345 ( -13.816 8.610 -11.994) 20.220 14.573 ( 0.458 1.782 0.373) 1.877 14.880 ( -4.663 -8.776 -0.478) 9.949 15.091 ( 0.805 -9.489 3.241) 10.059 15.207 ( 4.410 -12.066 -4.064) 13.474 15.239 ( 9.796 -15.279 -5.801) 19.054 15.802 ( -10.384 0.604 -5.615) 11.820 16.046 ( 1.043 2.320 8.174) 8.561 16.340 ( 4.845 3.159 0.612) 5.816 16.443 ( 7.050 -10.930 -5.023) 13.943 16.891 ( -0.552 0.085 -1.576) 1.672 16.986 ( 2.524 -4.104 0.038) 4.818 17.144 ( -4.445 -4.643 -4.198) 7.677 17.258 ( 1.434 -3.359 6.344) 7.321 19.761 ( -7.039 -2.586 -2.548) 7.920 19.921 ( 0.305 0.581 1.580) 1.711 20.866 ( -2.729 11.844 1.903) 12.303 21.012 ( 2.333 10.832 -1.835) 11.231 21.864 ( -2.019 -10.092 9.904) 14.284 22.077 ( 3.122 -11.237 -5.833) 13.040 23.138 ( -1.018 5.138 4.897) 7.171 23.279 ( 3.045 3.961 -3.103) 5.881 26.936 ( -1.153 -10.977 0.178) 11.038 27.108 ( 9.214 -24.884 -1.074) 26.557 29.283 ( -3.216 17.521 -1.603) 17.886 29.327 ( -0.825 14.715 0.922) 14.767 30.468 ( -4.370 -2.016 -6.165) 7.821 30.613 ( 3.496 -3.364 -0.794) 4.916 30.752 ( -13.705 -9.990 -22.593) 28.250 30.794 ( -3.185 -7.297 6.831) 10.491 31.243 ( 1.274 -1.719 2.858) 3.570 31.387 ( 6.191 -8.236 1.036) 10.355 31.772 ( -4.234 8.408 -1.830) 9.590 31.855 ( -1.618 13.223 -4.377) 14.023 32.428 ( -4.436 -10.000 -2.835) 11.301 32.564 ( -0.815 -13.623 -6.037) 14.923 33.313 ( -0.833 2.375 2.738) 3.719 33.555 ( 7.200 3.778 -5.163) 9.632 35.249 ( -2.339 -1.047 2.262) 3.419 35.328 ( -2.618 -1.014 -0.248) 2.818 35.400 ( -0.072 -0.146 1.504) 1.513 35.634 ( 2.699 -1.415 -2.211) 3.764 35.888 ( -1.053 -4.848 0.057) 4.961 36.081 ( 2.304 -1.295 2.513) 3.647 37.658 ( 0.726 16.308 10.841) 19.596 37.795 ( 7.583 11.265 8.200) 15.864 ======================= Grid point 180 (90/114) ======================= q-point: (-0.12 -0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -13.894 -19.115 -1.222) 23.663 1.645 ( -24.327 -10.361 7.976) 27.618 2.013 ( 4.928 -29.027 14.603) 32.865 2.264 ( -6.671 -8.587 -9.977) 14.757 2.308 ( 12.063 -12.568 6.018) 18.430 2.448 ( -8.924 -4.718 3.002) 10.531 2.657 ( -6.644 3.320 -5.937) 9.508 2.754 ( -4.887 -3.624 1.583) 6.287 3.176 ( 3.677 2.624 -0.432) 4.538 3.240 ( 0.125 2.909 -2.227) 3.666 3.338 ( -1.288 0.781 -3.057) 3.408 3.479 ( 4.192 4.019 4.248) 7.195 3.542 ( 1.934 2.299 -3.931) 4.947 3.728 ( 1.429 6.985 -1.463) 7.278 3.893 ( -0.858 -2.825 0.997) 3.116 4.157 ( -1.669 5.255 -1.187) 5.640 4.308 ( 3.090 5.496 -3.218) 7.078 4.439 ( 7.936 -0.635 -5.406) 9.623 4.539 ( 3.138 3.124 1.072) 4.556 4.661 ( 0.463 1.134 -7.544) 7.643 4.804 ( 12.785 3.791 8.710) 15.927 4.986 ( 2.765 4.541 3.342) 6.280 5.051 ( -2.890 -3.513 -2.703) 5.291 5.334 ( 3.308 -7.165 6.296) 10.095 5.385 ( -3.460 -0.985 2.259) 4.248 5.570 ( 2.318 -2.529 -2.545) 4.271 5.662 ( -1.861 -1.182 1.296) 2.557 5.716 ( 0.561 -1.670 -0.546) 1.844 5.966 ( -3.690 5.527 -0.953) 6.714 6.202 ( 3.395 0.696 1.074) 3.628 7.649 ( -9.402 2.856 -4.540) 10.825 7.713 ( 1.236 0.624 0.665) 1.536 7.852 ( 1.122 3.404 2.975) 4.658 8.142 ( -3.178 -0.737 -0.007) 3.262 8.756 ( -1.016 0.240 2.103) 2.348 8.880 ( -2.884 3.764 -0.603) 4.780 8.901 ( -2.678 -1.371 -0.357) 3.029 9.035 ( 0.593 1.209 -0.257) 1.371 9.161 ( 2.078 1.486 3.940) 4.696 9.295 ( 7.835 0.427 2.213) 8.153 9.478 ( -0.836 -1.255 -1.549) 2.162 9.626 ( -1.212 -3.305 -2.112) 4.105 9.923 ( -3.288 6.256 0.504) 7.085 10.078 ( 5.496 7.079 2.292) 9.250 10.259 ( -6.752 6.134 2.314) 9.411 10.452 ( 3.499 7.696 -1.556) 8.597 11.207 ( 3.737 -6.285 0.427) 7.325 11.369 ( -0.977 -2.205 -3.089) 3.919 11.384 ( 1.473 -2.270 3.847) 4.703 11.522 ( 0.843 -2.642 2.552) 3.769 11.614 ( -7.669 4.141 3.177) 9.277 11.709 ( -2.935 2.359 1.845) 4.193 12.070 ( -4.370 -4.938 2.583) 7.082 12.313 ( -0.638 1.024 -3.768) 3.956 12.395 ( 5.280 -1.927 0.395) 5.635 12.471 ( -1.210 7.460 -0.089) 7.558 12.849 ( 0.962 5.783 -6.261) 8.577 12.966 ( 3.512 6.108 -1.286) 7.162 13.399 ( 0.652 -5.893 -1.207) 6.051 13.580 ( -3.391 -0.035 2.289) 4.091 13.672 ( 7.693 -3.368 7.281) 11.115 13.800 ( 2.193 -2.399 -2.384) 4.031 14.082 ( -13.225 3.156 -7.032) 15.307 14.579 ( -1.266 -1.507 0.817) 2.131 14.988 ( -1.986 -6.141 0.335) 6.463 15.286 ( 6.168 -8.154 3.221) 10.719 15.380 ( 1.337 -8.008 -2.768) 8.578 15.503 ( 5.512 -4.397 -7.499) 10.294 15.755 ( -7.422 -8.018 2.267) 11.158 16.010 ( -3.955 3.701 4.051) 6.764 16.280 ( 4.042 7.359 0.033) 8.396 16.713 ( 15.969 -9.126 -7.651) 19.921 16.903 ( 0.911 -2.213 -1.717) 2.945 17.071 ( 2.370 -3.255 -0.436) 4.050 17.185 ( -4.307 -4.616 -1.678) 6.532 17.355 ( -0.609 -4.120 2.072) 4.651 19.783 ( -5.412 -6.475 -1.284) 8.536 19.929 ( -0.509 -3.399 -3.883) 5.186 20.629 ( -2.320 13.168 3.109) 13.728 20.788 ( 2.607 14.389 -2.500) 14.836 22.111 ( -2.143 -12.870 8.985) 15.842 22.305 ( 3.285 -14.437 -4.911) 15.600 23.047 ( -0.789 7.947 4.896) 9.367 23.184 ( 3.309 7.414 -3.291) 8.760 27.182 ( -2.052 -17.635 0.177) 17.754 27.704 ( 20.617 -26.781 -6.177) 34.358 28.840 ( -6.249 22.957 -6.488) 24.661 29.004 ( -2.132 21.198 4.188) 21.713 30.486 ( -6.782 -11.672 -7.557) 15.471 30.714 ( 0.004 -7.743 -3.456) 8.479 30.771 ( -2.002 -9.114 -9.544) 13.347 30.984 ( -3.604 -6.411 10.683) 12.970 31.309 ( -0.611 -2.456 4.794) 5.421 31.480 ( 1.011 7.462 2.944) 8.086 31.587 ( -1.692 13.202 0.634) 13.325 31.705 ( 5.132 -9.123 -9.185) 13.926 32.578 ( -5.245 -11.364 0.050) 12.516 32.775 ( -1.378 -12.663 -1.357) 12.809 33.264 ( -0.700 3.917 2.335) 4.613 33.486 ( 6.570 6.786 -4.469) 10.449 35.267 ( -1.708 -1.459 1.585) 2.750 35.334 ( -1.388 -1.575 -0.702) 2.214 35.432 ( -0.582 -1.608 4.113) 4.454 35.641 ( -2.474 -1.211 -0.658) 2.832 35.971 ( 1.196 -1.565 1.717) 2.613 36.146 ( -0.180 -4.786 -0.506) 4.816 37.394 ( 0.418 13.101 -2.249) 13.299 37.596 ( 3.017 20.591 10.889) 23.488 ======================= Grid point 187 (91/114) ======================= q-point: (-0.25 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 114 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.784 ( -19.966 0.000 13.259) 23.968 0.987 ( -17.746 0.000 23.570) 29.503 1.642 ( -25.747 0.000 18.824) 31.895 1.939 ( 15.629 -0.000 -1.663) 15.717 2.015 ( 7.330 -0.000 6.397) 9.729 2.516 ( -22.797 0.000 -0.683) 22.808 2.742 ( -5.152 0.000 3.303) 6.120 2.937 ( 4.836 -0.000 -4.152) 6.374 3.192 ( -4.011 0.000 2.865) 4.929 3.301 ( -0.608 0.000 -7.780) 7.804 3.371 ( -2.355 0.000 -13.348) 13.554 3.465 ( 0.668 -0.000 -1.859) 1.975 3.636 ( 0.545 -0.000 -1.285) 1.396 3.790 ( -4.356 0.000 -2.775) 5.165 3.947 ( 9.602 -0.000 -2.732) 9.983 4.208 ( 0.844 -0.000 2.797) 2.921 4.383 ( 4.271 -0.000 -4.362) 6.105 4.444 ( 0.644 -0.000 2.947) 3.016 4.539 ( 0.285 -0.000 -8.542) 8.546 4.561 ( 2.897 -0.000 -11.142) 11.513 4.741 ( 7.292 -0.000 7.738) 10.632 5.037 ( 13.320 -0.000 13.166) 18.728 5.146 ( 5.634 -0.000 6.755) 8.796 5.288 ( 5.131 -0.000 1.595) 5.373 5.410 ( -5.449 0.000 -1.394) 5.625 5.471 ( 0.718 -0.000 -5.930) 5.973 5.670 ( 0.577 -0.000 6.321) 6.348 5.683 ( 6.782 -0.000 -0.404) 6.794 6.085 ( -3.463 0.000 2.699) 4.391 6.205 ( -1.893 0.000 0.307) 1.918 7.696 ( -9.590 0.000 -1.303) 9.678 7.827 ( 2.472 -0.000 -0.105) 2.474 7.888 ( -3.541 0.000 1.979) 4.057 8.225 ( 3.687 -0.000 -3.586) 5.143 8.770 ( 1.302 -0.000 2.721) 3.017 8.812 ( -1.783 0.000 7.751) 7.954 8.948 ( 6.201 -0.000 -1.239) 6.323 9.015 ( -5.312 0.000 -1.529) 5.527 9.189 ( 6.839 -0.000 0.741) 6.879 9.326 ( 3.052 -0.000 0.287) 3.066 9.412 ( -3.268 0.000 3.680) 4.921 9.591 ( 0.937 -0.000 0.177) 0.954 10.187 ( -6.620 0.000 -4.592) 8.056 10.205 ( 0.507 -0.000 -3.496) 3.533 10.462 ( -5.369 0.000 4.646) 7.100 10.679 ( 13.134 -0.000 2.792) 13.428 10.929 ( 2.921 -0.000 0.349) 2.942 11.309 ( 8.450 -0.000 -1.939) 8.669 11.357 ( -0.433 0.000 -0.780) 0.892 11.431 ( 0.981 -0.000 5.239) 5.330 11.739 ( -4.416 0.000 5.318) 6.913 11.836 ( -11.862 0.000 5.577) 13.108 12.057 ( -8.275 0.000 -0.243) 8.278 12.345 ( 0.951 -0.000 -3.569) 3.694 12.358 ( 0.544 -0.000 -5.621) 5.648 12.824 ( 5.859 -0.000 -5.589) 8.097 12.954 ( 0.593 -0.000 -0.326) 0.676 13.076 ( 3.833 -0.000 -3.344) 5.086 13.327 ( 4.435 -0.000 -0.852) 4.516 13.431 ( 1.789 -0.000 2.628) 3.179 13.644 ( -2.101 0.000 4.503) 4.969 13.690 ( 0.849 -0.000 0.407) 0.942 14.286 ( -18.641 0.000 -21.540) 28.486 14.611 ( 1.130 -0.000 1.035) 1.533 14.639 ( 0.121 -0.000 -4.236) 4.238 14.955 ( -2.705 0.000 -5.103) 5.776 15.009 ( -0.828 0.000 6.530) 6.582 15.178 ( 5.087 -0.000 -1.492) 5.302 15.652 ( -13.842 0.000 -5.625) 14.941 16.141 ( 0.192 -0.000 5.497) 5.500 16.343 ( 1.898 -0.000 3.174) 3.698 16.415 ( 5.266 -0.000 -0.041) 5.266 16.917 ( 2.334 -0.000 -1.832) 2.967 16.946 ( 1.639 -0.000 1.491) 2.216 17.043 ( -3.137 0.000 -3.076) 4.394 17.284 ( 0.345 -0.000 7.832) 7.840 19.664 ( -7.335 0.000 -2.711) 7.820 19.952 ( -0.743 0.000 1.585) 1.750 20.975 ( -2.320 0.000 1.220) 2.622 21.127 ( 1.804 -0.000 -1.623) 2.426 21.826 ( 1.217 -0.000 10.561) 10.631 21.957 ( 3.512 -0.000 -5.372) 6.419 23.204 ( -0.939 0.000 4.257) 4.359 23.319 ( 2.647 -0.000 -2.628) 3.730 26.842 ( -0.141 0.000 -0.021) 0.143 26.847 ( 0.120 -0.000 -0.100) 0.157 29.450 ( -2.104 0.000 -0.252) 2.119 29.467 ( -0.662 0.000 1.972) 2.080 30.178 ( -25.390 0.000 -39.984) 47.364 30.476 ( -1.866 0.000 1.991) 2.728 30.598 ( 2.640 -0.000 -1.749) 3.167 30.769 ( -5.141 0.000 11.770) 12.844 31.262 ( 2.169 -0.000 -1.418) 2.591 31.347 ( 2.093 -0.000 10.764) 10.965 31.834 ( -6.151 0.000 1.028) 6.236 31.978 ( -2.410 0.000 -1.038) 2.624 32.278 ( -4.728 0.000 -4.834) 6.762 32.373 ( -0.033 0.000 1.749) 1.750 33.342 ( -0.782 0.000 2.158) 2.296 33.614 ( 7.245 -0.000 -5.338) 8.999 35.237 ( -2.493 0.000 3.349) 4.175 35.298 ( -1.977 0.000 -0.033) 1.978 35.405 ( -0.119 0.000 0.245) 0.272 35.651 ( 6.083 -0.000 -2.724) 6.665 35.803 ( -3.201 0.000 -0.894) 3.324 36.103 ( 0.570 -0.000 1.556) 1.658 37.687 ( 4.552 -0.000 -20.172) 20.679 38.273 ( 17.844 -0.000 29.199) 34.219 ======================= Grid point 188 (92/114) ======================= q-point: (-0.12 -0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -11.288 -15.995 16.828) 25.815 1.244 ( -16.444 -20.709 17.347) 31.625 1.694 ( -14.301 -15.263 31.389) 37.720 2.079 ( 7.795 -2.828 -3.673) 9.069 2.236 ( 7.277 -7.378 2.707) 10.710 2.360 ( -13.528 -3.630 12.874) 19.024 2.686 ( -6.490 2.547 1.705) 7.177 2.759 ( -0.845 13.135 -10.394) 16.772 3.193 ( -1.818 -0.487 4.046) 4.462 3.269 ( 2.140 -1.400 -8.023) 8.420 3.324 ( 3.692 -1.208 -5.560) 6.783 3.514 ( 1.528 -3.190 -2.395) 4.271 3.591 ( 0.048 3.547 -2.989) 4.639 3.763 ( -1.836 -0.782 -2.761) 3.407 3.929 ( 4.968 4.587 -3.334) 7.539 4.207 ( -1.221 2.501 -0.598) 2.847 4.363 ( 4.280 1.306 -6.493) 7.886 4.449 ( 2.587 0.385 -0.650) 2.695 4.535 ( 1.304 -2.489 -8.313) 8.775 4.621 ( 3.020 -5.031 -2.377) 6.331 4.847 ( 4.253 -3.817 1.508) 5.910 5.136 ( 2.547 8.032 1.513) 8.561 5.152 ( 9.728 5.082 8.959) 14.168 5.280 ( -5.852 -1.046 -1.268) 6.079 5.356 ( -0.900 -0.609 1.042) 1.505 5.522 ( 5.094 -3.494 0.522) 6.199 5.710 ( 2.005 1.567 7.019) 7.467 5.735 ( 5.565 1.529 1.481) 5.958 6.031 ( -2.553 4.853 0.294) 5.492 6.204 ( -0.676 -1.454 0.283) 1.628 7.588 ( -10.672 1.142 -2.007) 10.919 7.765 ( -0.024 3.812 0.352) 3.829 7.927 ( 0.386 -1.054 0.811) 1.385 8.109 ( -6.628 5.782 -3.886) 9.616 8.791 ( 1.440 0.535 1.388) 2.071 8.859 ( -0.524 -0.962 7.049) 7.134 8.936 ( -1.204 4.215 -0.813) 4.458 9.023 ( -0.012 -2.126 0.839) 2.286 9.236 ( 5.503 1.385 3.985) 6.934 9.360 ( 6.022 -0.681 0.602) 6.090 9.444 ( 0.299 -2.955 1.139) 3.181 9.598 ( 0.693 2.066 1.902) 2.893 10.006 ( -9.216 7.189 -2.178) 11.889 10.153 ( -0.669 2.151 -5.357) 5.811 10.379 ( -5.740 7.087 5.707) 10.758 10.635 ( 5.548 9.698 -2.223) 11.392 11.104 ( 5.479 -9.609 -1.396) 11.149 11.325 ( 2.108 -0.614 -3.431) 4.073 11.384 ( 0.745 -0.616 2.827) 2.988 11.506 ( 1.794 -2.925 5.496) 6.479 11.686 ( -8.467 7.748 4.424) 12.300 11.745 ( -4.338 2.394 6.654) 8.296 12.003 ( -3.350 -0.326 3.378) 4.768 12.324 ( 1.276 1.369 -1.577) 2.447 12.381 ( 4.713 -3.310 -0.768) 5.810 12.601 ( -7.136 12.266 -2.727) 14.450 12.873 ( 0.991 1.292 -9.329) 9.470 13.053 ( 2.541 2.517 -4.494) 5.744 13.350 ( 3.494 -0.711 0.333) 3.581 13.541 ( -3.563 -4.593 -0.387) 5.826 13.698 ( 2.660 -2.694 7.376) 8.290 13.730 ( -1.082 -2.198 -3.758) 4.486 14.091 ( 1.825 5.092 1.443) 5.598 14.579 ( -0.047 2.060 0.414) 2.101 14.847 ( -0.969 -11.130 1.774) 11.312 15.097 ( -1.732 -12.744 -0.574) 12.874 15.251 ( 7.405 -10.191 -2.420) 12.828 15.292 ( 10.142 -18.916 -10.165) 23.749 15.585 ( -11.222 -5.143 -2.396) 12.575 16.103 ( -3.383 3.122 1.071) 4.726 16.414 ( 3.748 3.532 -0.452) 5.170 16.501 ( 8.279 -12.868 -2.887) 15.571 16.898 ( 2.992 0.949 -0.883) 3.260 16.999 ( -0.977 -3.383 -1.626) 3.879 17.083 ( 0.531 -4.851 0.922) 4.966 17.327 ( -2.043 -0.904 5.975) 6.379 19.635 ( -5.515 -3.992 -2.111) 7.128 19.897 ( -3.545 2.756 -2.175) 4.989 20.850 ( -2.268 11.238 2.318) 11.696 21.019 ( 1.507 10.750 -2.418) 11.121 21.968 ( 0.397 -7.893 8.967) 11.953 22.071 ( 3.778 -11.287 -4.429) 12.700 23.174 ( -1.901 4.560 3.587) 6.105 23.292 ( 2.936 3.838 -3.344) 5.876 26.928 ( -0.262 -9.965 0.295) 9.972 27.227 ( 11.806 -34.237 -11.119) 37.884 29.142 ( -7.396 20.544 -5.254) 22.458 29.347 ( -1.481 15.560 4.521) 16.271 30.113 ( -4.058 -16.436 -4.398) 17.492 30.563 ( 1.230 -7.594 -1.599) 7.857 30.645 ( 2.529 -4.652 -2.403) 5.814 30.855 ( -6.993 -8.560 9.352) 14.479 31.275 ( -0.347 -1.853 0.095) 1.887 31.505 ( 2.305 -9.088 3.909) 10.157 31.682 ( -4.256 10.462 0.733) 11.319 31.818 ( -2.082 12.396 1.034) 12.612 32.346 ( -4.004 -10.516 1.398) 11.339 32.529 ( -1.306 -12.682 0.478) 12.758 33.326 ( -1.023 2.253 1.984) 3.172 33.603 ( 6.666 3.759 -5.301) 9.309 35.246 ( -1.811 -0.765 2.897) 3.501 35.298 ( -0.837 -1.085 -0.090) 1.373 35.421 ( -0.684 -1.539 2.981) 3.424 35.626 ( -0.166 2.424 -1.831) 3.042 35.893 ( 2.836 -8.755 -2.795) 9.618 36.089 ( -2.628 0.498 -1.559) 3.096 37.572 ( 9.816 8.060 -13.629) 18.630 38.171 ( -1.352 29.344 16.704) 33.792 ======================= Grid point 196 (93/114) ======================= q-point: (-0.12 -0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -4.421 0.000 26.338) 26.707 1.095 ( -11.888 0.000 29.603) 31.901 1.641 ( -13.256 0.000 40.040) 42.177 2.085 ( -7.353 0.000 -7.894) 10.788 2.296 ( 12.685 -0.000 10.828) 16.678 2.323 ( 4.119 -0.000 18.271) 18.729 2.673 ( -5.924 0.000 0.315) 5.932 2.948 ( 1.783 -0.000 -3.791) 4.189 3.088 ( -4.653 0.000 -21.790) 22.281 3.201 ( 0.908 -0.000 -10.283) 10.323 3.237 ( -0.701 0.000 4.407) 4.463 3.467 ( 3.118 -0.000 -6.320) 7.047 3.632 ( 2.061 -0.000 -0.164) 2.067 3.737 ( 0.260 -0.000 1.328) 1.353 3.992 ( 1.650 -0.000 -5.500) 5.742 4.195 ( -2.482 0.000 -3.725) 4.477 4.364 ( 3.961 -0.000 -6.508) 7.619 4.483 ( 5.123 -0.000 -0.606) 5.158 4.528 ( 1.956 -0.000 2.970) 3.557 4.540 ( 0.556 -0.000 -3.040) 3.091 4.846 ( 0.788 -0.000 -1.105) 1.357 5.170 ( -9.405 0.000 -1.891) 9.593 5.229 ( -0.012 0.000 4.908) 4.908 5.327 ( -1.300 0.000 -6.789) 6.913 5.375 ( 10.049 -0.000 8.015) 12.854 5.546 ( 9.454 -0.000 -0.035) 9.454 5.804 ( 3.785 -0.000 3.230) 4.976 5.813 ( 5.620 -0.000 5.492) 7.858 6.078 ( -1.394 0.000 1.526) 2.067 6.173 ( -2.260 0.000 0.055) 2.260 7.520 ( -7.310 0.000 0.850) 7.359 7.798 ( -3.147 0.000 -3.826) 4.954 7.862 ( -3.652 0.000 -0.361) 3.669 8.113 ( -8.519 0.000 -4.742) 9.750 8.815 ( 2.390 -0.000 1.578) 2.864 8.896 ( 1.865 -0.000 2.974) 3.510 8.964 ( -3.548 0.000 2.933) 4.603 9.032 ( 2.611 -0.000 0.915) 2.767 9.342 ( 7.222 -0.000 6.479) 9.703 9.370 ( 4.566 -0.000 -1.594) 4.836 9.413 ( 0.163 -0.000 0.864) 0.879 9.685 ( 4.833 -0.000 2.607) 5.491 9.972 ( -11.683 0.000 -3.175) 12.107 10.123 ( -3.155 0.000 -6.907) 7.593 10.424 ( -6.477 0.000 4.559) 7.921 10.746 ( -3.004 0.000 -10.832) 11.241 11.003 ( 5.342 -0.000 0.821) 5.405 11.339 ( 5.185 -0.000 -4.247) 6.703 11.397 ( -1.178 0.000 1.861) 2.202 11.520 ( 1.356 -0.000 6.944) 7.075 11.674 ( -12.809 0.000 1.119) 12.858 11.816 ( -3.797 0.000 1.235) 3.993 12.096 ( 13.303 -0.000 13.914) 19.251 12.342 ( 1.083 -0.000 -0.142) 1.092 12.373 ( 5.452 -0.000 -0.095) 5.452 12.664 ( -11.519 0.000 -6.742) 13.347 12.843 ( -0.880 0.000 -11.273) 11.307 13.046 ( -0.105 0.000 -6.463) 6.464 13.387 ( 4.356 -0.000 -2.207) 4.883 13.398 ( -0.002 0.000 0.307) 0.307 13.703 ( -3.180 0.000 4.305) 5.352 13.722 ( 1.489 -0.000 1.666) 2.234 14.333 ( 28.360 -0.000 14.797) 31.988 14.628 ( 2.300 -0.000 -0.937) 2.483 14.635 ( 1.099 -0.000 -0.692) 1.299 14.857 ( -2.754 0.000 -2.126) 3.479 15.074 ( 0.433 -0.000 5.982) 5.997 15.248 ( 5.857 -0.000 -0.118) 5.858 15.444 ( -8.375 0.000 -1.241) 8.467 16.035 ( -11.260 0.000 -5.131) 12.374 16.471 ( 3.730 -0.000 6.750) 7.712 16.500 ( 4.511 -0.000 1.775) 4.848 16.935 ( 2.531 -0.000 -1.898) 3.163 16.950 ( -1.678 0.000 -1.414) 2.195 17.057 ( 4.852 -0.000 3.142) 5.781 17.331 ( -4.052 0.000 5.191) 6.585 19.553 ( -3.587 0.000 -1.510) 3.892 19.879 ( -6.285 0.000 -4.804) 7.911 20.962 ( -1.345 0.000 1.645) 2.125 21.115 ( -0.077 0.000 -2.781) 2.782 21.937 ( 0.206 -0.000 3.736) 3.742 21.965 ( 4.324 -0.000 -3.779) 5.742 23.212 ( -3.428 0.000 2.382) 4.174 23.325 ( 2.157 -0.000 -2.871) 3.591 26.841 ( 0.055 -0.000 0.083) 0.100 26.847 ( 0.131 -0.000 -0.117) 0.175 29.323 ( -2.976 0.000 0.281) 2.989 29.487 ( -0.573 0.000 2.784) 2.843 30.071 ( 29.196 -0.000 13.502) 32.167 30.446 ( -4.163 0.000 0.804) 4.240 30.604 ( 1.329 -0.000 -2.661) 2.974 30.755 ( -7.762 0.000 5.263) 9.378 31.249 ( 0.814 -0.000 -3.736) 3.824 31.437 ( -7.740 0.000 9.552) 12.294 31.786 ( -1.181 0.000 2.055) 2.371 31.935 ( -2.885 0.000 0.259) 2.897 32.226 ( -2.026 0.000 3.807) 4.312 32.392 ( -0.180 0.000 1.964) 1.972 33.347 ( -1.563 0.000 1.896) 2.457 33.653 ( 6.125 -0.000 -6.156) 8.684 35.244 ( -1.864 0.000 3.754) 4.191 35.287 ( 0.202 -0.000 0.449) 0.493 35.412 ( -0.815 0.000 2.454) 2.586 35.690 ( 3.831 -0.000 -4.022) 5.555 35.759 ( -0.994 0.000 -1.428) 1.740 36.056 ( -4.631 0.000 -3.973) 6.101 37.678 ( 16.767 -0.000 -10.330) 19.694 38.474 ( -13.776 0.000 -4.353) 14.447 ======================= Grid point 197 (94/114) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( -8.673 0.000 1.499) 8.802 1.559 ( 8.673 -0.000 -1.499) 8.802 2.068 ( -2.710 0.000 -21.302) 21.473 2.068 ( 2.710 -0.000 21.302) 21.473 2.624 ( -2.903 0.000 -14.319) 14.610 2.624 ( 2.903 -0.000 14.319) 14.610 2.677 ( 4.116 -0.000 -5.284) 6.698 2.677 ( -4.116 0.000 5.284) 6.698 2.887 ( -1.893 0.000 -14.045) 14.172 2.887 ( 1.893 -0.000 14.045) 14.172 3.219 ( -1.279 0.000 -0.353) 1.327 3.219 ( 1.279 -0.000 0.353) 1.327 3.779 ( -6.439 0.000 -2.138) 6.785 3.779 ( 6.439 -0.000 2.138) 6.785 4.071 ( 0.669 -0.000 -7.972) 8.000 4.071 ( -0.669 0.000 7.972) 8.000 4.394 ( -5.873 0.000 -4.769) 7.565 4.394 ( 5.873 -0.000 4.769) 7.565 4.643 ( -7.488 0.000 -4.580) 8.778 4.643 ( 7.488 -0.000 4.580) 8.778 4.842 ( -0.760 0.000 -12.699) 12.722 4.842 ( 0.760 -0.000 12.699) 12.722 5.323 ( 2.704 -0.000 -4.801) 5.510 5.323 ( -2.704 0.000 4.801) 5.510 5.636 ( -0.887 0.000 -5.251) 5.326 5.636 ( 0.887 -0.000 5.251) 5.326 5.824 ( -1.772 0.000 -4.021) 4.394 5.824 ( 1.772 -0.000 4.021) 4.394 6.068 ( 1.708 -0.000 -3.498) 3.893 6.068 ( -1.708 0.000 3.498) 3.893 7.629 ( -2.933 0.000 -2.156) 3.640 7.629 ( 2.933 -0.000 2.156) 3.640 7.885 ( -3.773 0.000 -5.555) 6.715 7.885 ( 3.773 -0.000 5.555) 6.715 8.960 ( -0.154 0.000 -3.267) 3.271 8.960 ( 0.154 -0.000 3.267) 3.271 8.987 ( 1.085 -0.000 -0.898) 1.408 8.987 ( -1.085 0.000 0.898) 1.408 9.397 ( -1.838 0.000 -0.325) 1.866 9.397 ( 1.838 -0.000 0.325) 1.866 9.665 ( -12.291 0.000 -3.229) 12.708 9.665 ( 12.291 -0.000 3.229) 12.708 9.866 ( -4.610 0.000 -3.849) 6.005 9.866 ( 4.610 -0.000 3.849) 6.005 10.443 ( 4.674 -0.000 -4.130) 6.238 10.443 ( -4.674 0.000 4.130) 6.238 11.167 ( -3.009 0.000 -5.304) 6.098 11.167 ( 3.009 -0.000 5.304) 6.098 11.461 ( -4.913 0.000 -1.797) 5.231 11.461 ( 4.913 -0.000 1.797) 5.231 11.758 ( -2.299 0.000 -2.501) 3.396 11.758 ( 2.299 -0.000 2.501) 3.396 12.464 ( -1.700 0.000 -1.684) 2.393 12.464 ( 1.700 -0.000 1.684) 2.393 12.515 ( -0.528 0.000 -4.994) 5.022 12.515 ( 0.528 -0.000 4.994) 5.022 12.762 ( -3.579 0.000 -7.814) 8.595 12.762 ( 3.579 -0.000 7.814) 8.595 13.366 ( 0.697 -0.000 -0.730) 1.010 13.366 ( -0.697 0.000 0.730) 1.010 13.757 ( 1.744 -0.000 -1.910) 2.586 13.757 ( -1.744 0.000 1.910) 2.586 14.586 ( -1.446 0.000 0.112) 1.450 14.586 ( 1.446 -0.000 -0.112) 1.450 14.883 ( 1.450 -0.000 -0.577) 1.560 14.883 ( -1.450 0.000 0.577) 1.560 15.259 ( -1.826 0.000 -3.980) 4.379 15.259 ( 1.826 -0.000 3.980) 4.379 15.585 ( -21.080 0.000 -5.807) 21.865 15.585 ( 21.080 -0.000 5.807) 21.865 16.595 ( -1.472 0.000 0.352) 1.513 16.595 ( 1.472 -0.000 -0.352) 1.513 16.916 ( 1.384 -0.000 -0.991) 1.703 16.916 ( -1.384 0.000 0.991) 1.703 17.273 ( -7.936 0.000 -2.346) 8.276 17.273 ( 7.936 -0.000 2.346) 8.276 19.591 ( -4.585 0.000 -4.226) 6.236 19.591 ( 4.585 -0.000 4.226) 6.236 21.022 ( -0.021 0.000 -2.592) 2.592 21.022 ( 0.021 -0.000 2.592) 2.592 21.951 ( 5.559 -0.000 -2.155) 5.962 21.951 ( -5.559 0.000 2.155) 5.962 23.251 ( 2.401 -0.000 -3.360) 4.130 23.251 ( -2.401 0.000 3.360) 4.130 26.845 ( 0.059 -0.000 -0.127) 0.140 26.845 ( -0.059 0.000 0.127) 0.140 29.474 ( -3.848 0.000 -2.706) 4.705 29.474 ( 3.848 -0.000 2.706) 4.705 30.465 ( 4.057 -0.000 -5.145) 6.552 30.465 ( -4.057 0.000 5.145) 6.552 30.737 ( -16.898 0.000 4.260) 17.426 30.737 ( 16.898 -0.000 -4.260) 17.426 31.352 ( -21.363 0.000 0.133) 21.364 31.352 ( 21.363 -0.000 -0.133) 21.364 31.882 ( -3.109 0.000 -1.282) 3.363 31.882 ( 3.109 -0.000 1.282) 3.363 32.382 ( -1.682 0.000 -3.071) 3.501 32.382 ( 1.682 -0.000 3.071) 3.501 33.469 ( 4.322 -0.000 -8.694) 9.709 33.469 ( -4.322 0.000 8.694) 9.709 35.316 ( 1.832 -0.000 -1.179) 2.179 35.316 ( -1.832 0.000 1.179) 2.179 35.559 ( 0.096 -0.000 -5.760) 5.761 35.559 ( -0.096 0.000 5.760) 5.761 35.782 ( -2.218 0.000 -4.734) 5.228 35.782 ( 2.218 -0.000 4.734) 5.228 37.919 ( -31.821 0.000 -0.298) 31.822 37.919 ( 31.821 -0.000 0.298) 31.822 ======================= Grid point 199 (95/114) ======================= q-point: ( 0.12 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 0.807 -5.201 -13.238) 14.246 1.615 ( 8.371 -1.811 -6.002) 10.458 1.954 ( 7.770 3.032 -10.045) 13.056 2.086 ( 0.054 10.398 19.005) 21.663 2.540 ( -10.130 -3.482 -1.502) 10.816 2.629 ( 2.480 -3.014 -10.366) 11.076 2.688 ( 6.983 -2.738 -14.455) 16.286 2.832 ( -2.089 -7.691 4.500) 9.153 3.026 ( -2.255 -10.997 6.119) 12.785 3.087 ( 0.562 -16.107 2.164) 16.262 3.230 ( 0.093 -0.874 2.877) 3.008 3.258 ( 1.788 -3.689 5.530) 6.883 3.674 ( -6.362 4.979 -2.238) 8.383 3.792 ( 3.883 5.023 3.664) 7.331 3.959 ( -4.546 4.300 -11.218) 12.845 4.096 ( 0.491 0.030 3.683) 3.716 4.332 ( -4.382 0.501 -1.899) 4.802 4.441 ( 4.245 2.010 2.534) 5.337 4.560 ( -9.350 -0.349 -2.716) 9.743 4.724 ( -0.977 2.848 -8.042) 8.587 4.726 ( 6.016 -0.123 4.976) 7.808 4.842 ( 0.278 6.238 10.619) 12.318 5.341 ( -6.246 -0.881 4.407) 7.695 5.352 ( 3.095 -3.602 -5.907) 7.580 5.548 ( -3.601 1.936 -6.509) 7.686 5.650 ( 0.017 0.423 3.111) 3.140 5.776 ( 1.222 4.010 -3.893) 5.721 5.825 ( 0.419 4.315 4.456) 6.217 6.010 ( -2.528 3.632 -1.234) 4.594 6.101 ( 4.080 0.236 3.839) 5.607 7.606 ( -2.562 -0.905 -3.445) 4.388 7.691 ( 4.591 -1.928 2.186) 5.438 7.842 ( 0.151 0.303 -2.594) 2.616 7.936 ( 5.236 2.101 4.543) 7.243 8.855 ( -3.335 5.110 -3.144) 6.864 8.894 ( -2.692 5.296 2.223) 6.343 8.980 ( 2.187 2.378 -0.454) 3.263 9.014 ( 5.664 1.225 -0.325) 5.804 9.400 ( -4.636 -2.251 0.238) 5.160 9.451 ( 2.990 -2.562 0.034) 3.937 9.535 ( -10.145 2.393 -2.347) 10.684 9.700 ( 4.962 4.762 -1.621) 7.066 9.862 ( 1.015 -2.026 -0.763) 2.391 9.952 ( 3.648 -2.957 4.192) 6.295 10.419 ( -1.339 3.230 6.415) 7.307 10.429 ( 6.041 4.047 -3.401) 8.028 11.131 ( -5.132 -2.573 -2.314) 6.189 11.224 ( 0.105 -2.374 4.681) 5.250 11.436 ( 1.760 -0.070 -1.660) 2.420 11.506 ( 8.150 2.009 1.595) 8.544 11.726 ( -2.355 -0.313 -3.195) 3.982 11.783 ( 3.033 0.462 0.372) 3.090 12.371 ( -4.995 5.937 -4.012) 8.735 12.405 ( -1.475 5.715 -1.448) 6.077 12.446 ( -0.641 2.503 -5.608) 6.174 12.524 ( 2.503 2.745 5.803) 6.891 12.713 ( -4.065 -2.452 -5.759) 7.463 12.835 ( 1.245 -0.377 7.803) 7.911 13.364 ( -5.003 -0.607 1.995) 5.420 13.429 ( 5.070 -3.918 -0.124) 6.409 13.752 ( -2.780 -0.827 -2.135) 3.602 13.799 ( 0.590 -4.816 0.836) 4.924 14.470 ( -7.483 8.750 -3.202) 11.950 14.563 ( 3.497 3.158 0.174) 4.715 14.949 ( -1.990 -8.935 -3.276) 9.723 15.002 ( 0.371 -11.114 2.885) 11.489 15.287 ( -5.394 -6.516 -0.794) 8.497 15.383 ( 3.695 -8.464 0.075) 9.235 15.484 ( -14.479 -7.994 -3.118) 16.830 15.811 ( 16.770 -4.244 4.860) 17.968 16.532 ( -2.885 3.913 -2.350) 5.400 16.562 ( -1.759 2.826 1.011) 3.479 16.907 ( -2.268 -0.110 1.096) 2.521 16.933 ( 2.417 -1.360 -0.413) 2.804 17.232 ( -6.673 -3.092 -2.541) 7.781 17.353 ( 6.073 -1.166 0.912) 6.251 19.579 ( -0.025 -3.489 -2.391) 4.229 19.665 ( 5.715 -0.680 4.608) 7.373 20.918 ( 0.940 9.233 -2.900) 9.723 20.940 ( -0.641 9.840 2.986) 10.303 22.030 ( -5.624 -11.063 2.431) 12.646 22.084 ( 4.334 -10.595 -2.008) 11.622 23.206 ( -2.439 5.163 4.025) 6.986 23.209 ( 3.789 4.777 -3.425) 6.993 26.958 ( -0.463 -12.365 -1.979) 12.531 26.997 ( 0.251 -16.148 3.977) 16.632 29.227 ( -7.181 18.573 -3.547) 20.226 29.366 ( 6.982 15.974 0.835) 17.453 30.486 ( -5.795 -6.456 -4.898) 9.962 30.556 ( -0.892 -5.909 4.392) 7.416 30.683 ( -19.143 -8.487 0.261) 20.942 30.904 ( 10.053 -9.789 -1.950) 14.167 31.250 ( -11.064 -1.987 -0.991) 11.285 31.536 ( 23.587 -0.390 -4.891) 24.092 31.761 ( -3.142 8.455 -1.340) 9.119 31.827 ( 5.331 7.711 -1.102) 9.439 32.446 ( -0.112 -9.001 -4.295) 9.974 32.507 ( 3.192 -8.997 1.682) 9.694 33.434 ( 3.203 2.057 -7.340) 8.268 33.463 ( -4.601 2.251 8.029) 9.524 35.311 ( -1.876 -0.698 0.344) 2.031 35.320 ( 1.043 -0.227 -2.008) 2.274 35.549 ( 0.696 -1.919 -3.510) 4.060 35.576 ( -0.250 0.789 1.443) 1.663 35.807 ( -1.953 -5.887 2.076) 6.541 35.854 ( 3.304 -2.258 4.470) 6.000 37.600 ( -30.458 9.154 4.957) 32.188 38.024 ( 26.796 14.277 0.330) 30.364 ======================= Grid point 200 (96/114) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.628 ( 4.496 -7.208 -16.519) 18.576 1.718 ( 3.215 -12.167 1.369) 12.659 1.909 ( 7.604 3.677 -5.451) 10.052 2.118 ( 6.428 -3.262 9.157) 11.654 2.476 ( -2.983 0.493 -7.035) 7.658 2.686 ( 0.189 -8.279 -10.139) 13.092 2.754 ( 1.408 -4.401 -2.244) 5.137 3.031 ( -1.076 -15.561 -6.604) 16.938 3.102 ( 1.054 0.831 3.447) 3.699 3.231 ( -8.248 -1.894 1.947) 8.684 3.298 ( 0.773 -3.993 2.700) 4.882 3.489 ( 4.323 -5.988 0.660) 7.415 3.513 ( -1.332 4.560 0.326) 4.761 3.696 ( -3.598 5.650 1.963) 6.980 3.834 ( 0.760 2.209 -2.235) 3.233 4.084 ( -1.371 2.960 -3.325) 4.658 4.260 ( -2.816 1.799 1.988) 3.888 4.450 ( 1.266 3.282 0.380) 3.538 4.491 ( -8.468 -2.772 1.894) 9.110 4.619 ( 0.107 4.495 -3.958) 5.990 4.787 ( 1.816 4.023 9.612) 10.578 4.890 ( 3.703 -6.547 4.392) 8.710 5.238 ( -10.396 5.927 0.091) 11.967 5.394 ( 1.035 -2.421 -5.964) 6.520 5.504 ( -1.938 0.328 -2.150) 2.913 5.649 ( 3.332 3.807 2.786) 5.775 5.676 ( -0.833 2.505 -3.612) 4.474 5.753 ( 4.212 3.699 0.282) 5.612 5.935 ( -3.514 0.909 -1.559) 3.950 6.138 ( 1.337 1.417 5.403) 5.744 7.580 ( -2.044 -0.366 -3.483) 4.055 7.716 ( 1.550 2.497 -1.935) 3.519 7.885 ( -0.005 -1.641 4.159) 4.471 7.951 ( 7.862 0.007 1.664) 8.036 8.752 ( -1.129 4.099 0.264) 4.260 8.810 ( -0.297 2.857 2.239) 3.642 8.945 ( 2.589 2.595 -1.007) 3.801 9.008 ( 4.721 3.939 -0.265) 6.154 9.365 ( -6.733 2.182 0.728) 7.115 9.428 ( -2.947 3.046 -0.823) 4.318 9.498 ( 0.233 -0.264 -2.760) 2.783 9.622 ( 1.654 1.069 -3.015) 3.601 9.884 ( 0.884 0.728 -1.447) 1.845 10.048 ( 0.472 -3.362 2.862) 4.440 10.346 ( 2.936 7.160 -1.792) 7.943 10.370 ( 1.404 6.010 2.780) 6.769 11.167 ( -2.854 -4.729 1.644) 5.763 11.313 ( -1.070 -4.961 3.114) 5.954 11.468 ( 5.120 -1.133 -0.629) 5.281 11.517 ( 6.063 3.415 -0.570) 6.982 11.697 ( -2.761 -0.117 -3.173) 4.207 11.805 ( 5.099 -0.771 -2.257) 5.629 12.202 ( -4.509 3.672 -6.825) 8.966 12.288 ( -0.480 5.996 4.083) 7.270 12.373 ( -1.845 0.904 -5.475) 5.848 12.521 ( 1.669 1.624 2.688) 3.557 12.701 ( -2.778 0.177 -1.942) 3.394 12.863 ( -1.290 2.268 6.815) 7.298 13.350 ( -4.012 -1.571 3.372) 5.471 13.538 ( 8.239 -2.191 1.076) 8.593 13.727 ( -7.571 -3.000 -3.134) 8.726 13.929 ( 1.134 -7.883 -1.867) 8.180 14.208 ( -9.811 8.705 -6.948) 14.843 14.537 ( 5.637 4.100 1.700) 7.175 15.076 ( -1.817 -6.426 -3.074) 7.351 15.212 ( 2.580 -10.055 4.572) 11.343 15.366 ( -4.486 -4.327 -0.563) 6.258 15.497 ( -8.876 -9.479 -1.069) 13.030 15.647 ( 4.226 -10.270 2.399) 11.362 15.985 ( 10.074 -0.916 1.207) 10.188 16.407 ( -4.876 4.862 -4.255) 8.094 16.552 ( -5.251 -3.976 7.572) 10.036 16.905 ( -2.117 -0.949 0.474) 2.369 17.006 ( 4.076 -3.908 0.500) 5.668 17.233 ( -4.510 -2.831 -2.059) 5.709 17.401 ( 3.678 -0.289 -0.793) 3.774 19.691 ( 3.785 -8.263 -1.132) 9.159 19.755 ( 3.537 -3.358 3.860) 6.220 20.718 ( 1.405 11.852 -3.185) 12.353 20.737 ( -1.739 13.178 2.465) 13.519 22.237 ( -4.858 -14.460 2.805) 15.511 22.305 ( 2.387 -12.297 -3.421) 12.985 23.086 ( -2.469 8.625 3.824) 9.753 23.117 ( 4.365 7.368 -2.046) 8.805 27.215 ( -0.842 -18.426 -3.502) 18.775 27.423 ( -0.456 -24.927 12.151) 27.735 28.783 ( -5.698 22.391 -3.246) 23.332 29.078 ( 8.261 21.507 -2.112) 23.136 30.555 ( -6.036 -10.043 -6.056) 13.190 30.658 ( -2.693 -6.091 2.108) 6.985 30.758 ( -11.899 -12.029 0.061) 16.920 31.144 ( -2.145 -8.494 -0.391) 8.769 31.236 ( 1.486 -2.805 4.270) 5.321 31.525 ( 7.438 11.003 -4.294) 13.958 31.579 ( -3.732 8.475 -0.116) 9.261 31.806 ( 15.911 0.321 -9.102) 18.333 32.611 ( 1.978 -10.902 -3.999) 11.779 32.717 ( 3.383 -10.129 1.621) 10.802 33.361 ( 0.136 4.275 -3.812) 5.729 33.408 ( -3.377 4.362 4.289) 6.988 35.311 ( -1.242 -0.822 -0.889) 1.735 35.328 ( -0.341 -1.491 -1.336) 2.031 35.559 ( 0.381 0.483 -0.452) 0.764 35.591 ( 2.763 -1.671 -0.763) 3.318 35.938 ( 2.000 -5.932 0.265) 6.265 35.972 ( -1.442 -7.719 7.475) 10.842 37.246 ( -24.411 10.933 9.246) 28.301 37.842 ( 18.799 22.415 -5.618) 29.789 ======================= Grid point 201 (97/114) ======================= q-point: ( 0.38 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -2.240 -3.142 -10.416) 11.108 1.907 ( 4.829 -0.553 -3.473) 5.974 2.033 ( 5.876 -13.517 -1.366) 14.802 2.325 ( 4.930 -9.316 7.103) 12.710 2.433 ( -0.844 0.129 -2.915) 3.038 2.735 ( -1.962 -0.213 -3.515) 4.031 2.810 ( -1.376 -3.335 -3.523) 5.043 3.096 ( -3.777 -1.799 0.391) 4.202 3.131 ( 0.425 2.564 -0.319) 2.619 3.289 ( 1.755 -8.006 -0.933) 8.249 3.381 ( 3.388 -3.042 -6.390) 7.846 3.442 ( 0.584 -2.421 -0.587) 2.558 3.540 ( 3.607 1.238 3.803) 5.385 3.634 ( -1.907 2.899 -1.826) 3.922 3.827 ( 1.201 1.062 3.318) 3.685 3.966 ( -3.236 3.939 -1.822) 5.414 4.275 ( -8.887 1.950 -2.480) 9.431 4.329 ( -4.060 -0.040 4.692) 6.205 4.496 ( 4.144 5.226 -0.513) 6.689 4.561 ( 0.054 -0.592 -1.169) 1.312 4.782 ( 2.520 2.824 7.405) 8.316 4.986 ( -8.939 0.509 -1.678) 9.110 5.053 ( -0.464 4.565 -0.041) 4.589 5.402 ( 2.272 -0.897 -1.870) 3.076 5.477 ( -3.128 -0.317 1.580) 3.519 5.573 ( -1.233 4.249 1.696) 4.738 5.695 ( 4.966 -2.247 -1.173) 5.575 5.799 ( 3.678 -2.541 -2.557) 5.150 5.924 ( -0.741 -4.029 -3.031) 5.096 6.118 ( -1.858 4.368 6.290) 7.880 7.549 ( -0.885 0.719 -2.199) 2.477 7.671 ( 0.018 1.247 -1.125) 1.679 7.859 ( -2.183 1.720 0.632) 2.850 8.104 ( 7.125 -4.646 3.538) 9.213 8.703 ( 0.061 1.461 2.766) 3.129 8.790 ( 1.416 2.233 -0.641) 2.720 8.928 ( 2.585 1.114 -0.343) 2.835 8.964 ( 1.336 2.589 0.317) 2.930 9.280 ( -2.352 3.196 1.672) 4.306 9.318 ( -1.946 4.781 -3.492) 6.232 9.488 ( 0.692 -2.192 -1.759) 2.895 9.681 ( 1.758 -4.156 0.179) 4.516 9.820 ( -2.116 4.861 -1.696) 5.566 10.093 ( -1.695 -0.600 1.209) 2.167 10.232 ( 2.467 5.245 -2.608) 6.356 10.270 ( -1.327 5.151 0.331) 5.329 11.244 ( -0.638 -3.617 1.769) 4.076 11.390 ( -0.600 -3.035 1.175) 3.309 11.483 ( 2.418 2.909 -0.471) 3.812 11.536 ( 3.011 -2.056 0.903) 3.757 11.652 ( 0.220 1.314 -4.277) 4.479 11.813 ( -0.457 0.662 -4.988) 5.052 12.180 ( 2.420 -3.674 0.855) 4.482 12.243 ( 0.946 2.608 4.851) 5.588 12.328 ( -2.526 -1.268 -5.273) 5.982 12.535 ( 1.002 -0.703 2.288) 2.595 12.631 ( -2.231 3.063 -1.775) 4.184 12.791 ( -1.668 7.819 3.805) 8.854 13.433 ( 0.035 -6.022 5.906) 8.435 13.632 ( 2.610 -3.050 -1.383) 4.246 13.720 ( -2.275 -1.705 -0.980) 3.008 13.935 ( -6.283 7.422 -2.113) 9.951 14.050 ( -0.496 -3.639 -7.854) 8.670 14.542 ( 3.984 0.783 3.211) 5.177 15.121 ( -3.910 -4.302 -2.594) 6.365 15.316 ( 0.017 5.169 -0.749) 5.223 15.447 ( 1.890 -8.216 5.822) 10.245 15.609 ( -6.825 -9.690 -1.401) 11.934 15.781 ( 6.974 2.097 4.116) 8.365 16.097 ( 5.633 -7.845 -4.850) 10.807 16.239 ( -5.402 6.136 -4.268) 9.222 16.641 ( -5.008 -1.737 9.598) 10.964 16.911 ( -1.521 -1.059 0.074) 1.855 17.109 ( 3.163 -3.310 0.713) 4.634 17.237 ( -2.289 -1.539 -1.105) 2.972 17.425 ( 1.818 -0.939 -0.759) 2.183 19.870 ( 1.962 -7.284 2.070) 7.823 19.909 ( 3.846 -10.218 0.552) 10.932 20.492 ( -3.387 13.017 2.487) 13.679 20.511 ( 1.791 10.468 -3.877) 11.306 22.475 ( -3.272 -13.622 2.480) 14.227 22.505 ( 1.256 -11.457 -4.063) 12.220 22.918 ( -1.790 10.424 2.819) 10.946 22.988 ( 2.775 9.257 -0.984) 9.714 27.544 ( -0.265 -21.248 -2.690) 21.419 27.923 ( -4.434 -23.904 13.640) 27.877 28.343 ( -1.729 22.726 -1.092) 22.818 28.739 ( 8.218 21.308 -5.294) 23.443 30.677 ( -2.351 -9.881 -3.059) 10.608 30.767 ( -4.045 -7.052 2.318) 8.453 30.892 ( -5.695 -10.271 -0.916) 11.780 31.130 ( -0.843 1.932 -3.077) 3.730 31.295 ( 2.357 7.112 2.312) 7.841 31.338 ( -1.251 10.688 -1.975) 10.941 31.525 ( -0.152 -5.471 4.928) 7.364 31.853 ( 10.700 0.725 -9.354) 14.231 32.796 ( 2.753 -9.514 -2.651) 10.252 32.916 ( 3.541 -8.326 1.360) 9.149 33.241 ( -4.713 6.409 1.138) 8.037 33.317 ( -0.365 4.951 -0.935) 5.052 35.315 ( -0.616 -0.798 -0.634) 1.190 35.345 ( -0.506 -1.276 -0.744) 1.562 35.563 ( 0.339 -1.220 -1.600) 2.040 35.625 ( 2.636 0.907 2.251) 3.583 36.055 ( 5.046 -5.835 -4.626) 8.996 36.142 ( -4.519 -7.438 8.394) 12.092 36.981 ( -15.402 7.274 9.437) 19.473 37.537 ( 10.899 17.964 -8.488) 22.661 ======================= Grid point 202 (98/114) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.618 ( -0.000 0.000 0.000) 0.000 1.929 ( -0.000 0.000 0.000) 0.000 2.163 ( 0.000 -0.000 -0.000) 0.000 2.417 ( -0.000 0.000 0.000) 0.000 2.534 ( 0.000 -0.000 0.000) 0.000 2.639 ( -0.000 0.000 0.000) 0.000 2.828 ( -0.000 0.000 0.000) 0.000 3.080 ( -0.000 0.000 -0.000) 0.000 3.173 ( -0.000 -0.000 0.000) 0.000 3.335 ( 0.000 -0.000 0.000) 0.000 3.352 ( -0.000 0.000 -0.000) 0.000 3.527 ( 0.000 0.000 0.000) 0.000 3.548 ( -0.000 0.000 -0.000) 0.000 3.609 ( -0.000 0.000 0.000) 0.000 3.880 ( -0.000 0.000 0.000) 0.000 3.900 ( 0.000 -0.000 -0.000) 0.000 4.104 ( 0.000 0.000 0.000) 0.000 4.417 ( 0.000 0.000 -0.000) 0.000 4.425 ( -0.000 -0.000 0.000) 0.000 4.554 ( -0.000 0.000 0.000) 0.000 4.833 ( -0.000 0.000 -0.000) 0.000 4.856 ( 0.000 0.000 0.000) 0.000 5.031 ( -0.000 0.000 0.000) 0.000 5.423 ( 0.000 0.000 -0.000) 0.000 5.469 ( -0.000 0.000 0.000) 0.000 5.542 ( 0.000 0.000 -0.000) 0.000 5.744 ( -0.000 0.000 0.000) 0.000 5.815 ( -0.000 0.000 0.000) 0.000 6.023 ( 0.000 -0.000 -0.000) 0.000 6.033 ( -0.000 0.000 0.000) 0.000 7.530 ( -0.000 0.000 0.000) 0.000 7.660 ( -0.000 0.000 0.000) 0.000 7.836 ( -0.000 0.000 0.000) 0.000 8.189 ( 0.000 0.000 0.000) 0.000 8.725 ( -0.000 0.000 0.000) 0.000 8.741 ( -0.000 0.000 0.000) 0.000 8.931 ( 0.000 0.000 0.000) 0.000 8.951 ( -0.000 -0.000 0.000) 0.000 9.248 ( -0.000 -0.000 -0.000) 0.000 9.251 ( 0.000 0.000 0.000) 0.000 9.536 ( -0.000 0.000 0.000) 0.000 9.715 ( 0.000 -0.000 -0.000) 0.000 9.745 ( -0.000 0.000 0.000) 0.000 10.081 ( -0.000 0.000 0.000) 0.000 10.189 ( 0.000 0.000 -0.000) 0.000 10.218 ( -0.000 0.000 0.000) 0.000 11.282 ( -0.000 0.000 0.000) 0.000 11.421 ( 0.000 0.000 0.000) 0.000 11.461 ( -0.000 0.000 0.000) 0.000 11.577 ( -0.000 0.000 -0.000) 0.000 11.618 ( -0.000 0.000 0.000) 0.000 11.781 ( 0.000 -0.000 0.000) 0.000 12.242 ( -1.325 -0.193 0.316) 1.376 12.242 ( 1.325 0.193 -0.316) 1.376 12.327 ( -0.000 0.000 0.000) 0.000 12.549 ( -0.000 0.000 0.000) 0.000 12.646 ( 0.000 -0.000 -0.000) 0.000 12.648 ( -0.000 0.000 0.000) 0.000 13.549 ( 0.000 -0.000 0.000) 0.000 13.652 ( 0.000 0.000 -0.000) 0.000 13.718 ( -0.000 0.000 0.000) 0.000 13.814 ( -0.000 0.000 -0.000) 0.000 14.058 ( -0.000 0.000 0.000) 0.000 14.571 ( -0.000 0.000 0.000) 0.000 15.145 ( -0.000 0.000 0.000) 0.000 15.250 ( 0.000 -0.000 0.000) 0.000 15.531 ( -0.000 0.000 -0.000) 0.000 15.671 ( 0.000 0.000 0.000) 0.000 15.839 ( -0.000 -0.000 -0.000) 0.000 16.071 ( 0.000 0.000 0.000) 0.000 16.238 ( -0.000 0.000 0.000) 0.000 16.644 ( -0.000 -0.000 0.000) 0.000 16.916 ( 0.000 0.000 0.000) 0.000 17.155 ( 0.000 0.000 0.000) 0.000 17.239 ( -0.000 0.000 0.000) 0.000 17.443 ( -0.000 0.000 0.000) 0.000 19.967 ( -0.000 0.000 0.000) 0.000 20.074 ( -0.000 0.000 0.000) 0.000 20.316 ( -0.000 0.000 0.000) 0.000 20.395 ( -0.000 0.000 0.000) 0.000 22.616 ( 0.000 0.000 0.000) 0.000 22.676 ( -0.000 -0.000 0.000) 0.000 22.759 ( 0.000 0.000 0.000) 0.000 22.878 ( 0.000 0.000 0.000) 0.000 27.921 ( -0.000 0.000 0.000) 0.000 27.924 ( 0.000 -0.000 -0.000) 0.000 28.291 ( -0.000 -0.000 0.000) 0.000 28.447 ( -0.000 0.000 -0.000) 0.000 30.783 ( 0.000 -0.000 0.000) 0.000 30.817 ( -0.000 0.000 0.000) 0.000 30.976 ( -0.000 0.000 -0.000) 0.000 31.119 ( -0.000 0.000 0.000) 0.000 31.174 ( 0.000 -0.000 0.000) 0.000 31.223 ( -0.000 0.000 0.000) 0.000 31.612 ( -0.000 0.000 -0.000) 0.000 31.852 ( -0.000 0.000 0.000) 0.000 32.905 ( -0.000 0.000 0.000) 0.000 33.063 ( 0.000 -0.000 -0.000) 0.000 33.106 ( -0.000 0.000 0.000) 0.000 33.255 ( -0.000 0.000 0.000) 0.000 35.319 ( 0.000 0.000 0.000) 0.000 35.352 ( -0.000 0.000 -0.000) 0.000 35.576 ( -0.000 0.000 0.000) 0.000 35.629 ( -0.000 -0.000 -0.000) 0.000 36.128 ( -0.000 0.000 0.000) 0.000 36.216 ( 0.000 0.000 -0.000) 0.000 36.885 ( -0.000 0.000 0.000) 0.000 37.375 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 208 (99/114) ======================= q-point: ( 0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.364 ( 2.113 -0.000 -23.412) 23.507 1.625 ( 16.916 -0.000 -19.943) 26.151 1.997 ( 5.561 -0.000 0.123) 5.562 2.308 ( -2.399 0.000 -15.492) 15.677 2.492 ( 5.445 -0.000 17.716) 18.534 2.590 ( -3.600 0.000 -4.815) 6.013 2.644 ( -2.694 0.000 -15.768) 15.997 2.721 ( 5.851 -0.000 -2.521) 6.371 2.819 ( 0.722 -0.000 9.121) 9.149 3.008 ( 0.244 -0.000 7.547) 7.551 3.242 ( 0.556 -0.000 4.390) 4.425 3.289 ( 0.488 -0.000 7.938) 7.953 3.661 ( -5.900 0.000 -1.476) 6.082 3.876 ( 1.263 -0.000 0.851) 1.524 3.913 ( -4.117 0.000 -10.159) 10.962 4.083 ( -3.197 0.000 4.581) 5.586 4.295 ( -4.310 0.000 0.165) 4.313 4.452 ( -8.505 0.000 -1.283) 8.602 4.539 ( 2.586 -0.000 1.429) 2.955 4.664 ( -3.781 0.000 -8.213) 9.042 4.792 ( 4.119 -0.000 2.222) 4.679 4.992 ( 1.270 -0.000 14.283) 14.339 5.300 ( -4.748 0.000 0.799) 4.815 5.316 ( 3.827 -0.000 -4.577) 5.966 5.506 ( -9.304 0.000 -4.356) 10.273 5.594 ( -5.336 0.000 -5.030) 7.333 5.808 ( -1.306 0.000 3.106) 3.369 5.864 ( -0.379 0.000 -0.168) 0.415 6.096 ( 3.177 -0.000 -0.741) 3.262 6.135 ( 3.538 -0.000 3.917) 5.278 7.576 ( 1.990 -0.000 -3.929) 4.404 7.716 ( 4.292 -0.000 3.433) 5.496 7.853 ( 3.369 -0.000 -0.292) 3.382 8.038 ( 6.841 -0.000 4.347) 8.105 8.857 ( -4.505 0.000 -2.999) 5.412 8.913 ( -2.980 0.000 0.470) 3.017 9.045 ( 6.257 -0.000 -3.689) 7.263 9.046 ( 2.162 -0.000 -0.031) 2.162 9.352 ( -4.577 0.000 -0.108) 4.578 9.368 ( -11.526 0.000 0.838) 11.556 9.507 ( 2.480 -0.000 -4.265) 4.933 9.726 ( -1.868 0.000 -2.586) 3.190 9.926 ( 10.225 -0.000 2.675) 10.569 9.986 ( 3.306 -0.000 5.590) 6.494 10.501 ( 2.586 -0.000 10.382) 10.699 10.501 ( 6.796 -0.000 -2.636) 7.289 11.045 ( -5.409 0.000 -3.483) 6.433 11.217 ( -4.701 0.000 6.431) 7.966 11.449 ( 3.975 -0.000 -2.389) 4.638 11.612 ( 8.566 -0.000 -0.479) 8.579 11.700 ( 2.339 -0.000 -1.909) 3.019 11.819 ( 4.502 -0.000 0.665) 4.551 12.366 ( -9.588 0.000 -10.543) 14.251 12.372 ( -6.871 0.000 -1.721) 7.083 12.446 ( 1.380 -0.000 -8.079) 8.196 12.590 ( -5.002 0.000 7.910) 9.359 12.670 ( 6.239 -0.000 -1.523) 6.422 12.884 ( 0.288 -0.000 8.321) 8.326 13.358 ( -1.751 0.000 0.311) 1.778 13.373 ( 0.221 -0.000 1.984) 1.996 13.738 ( -2.772 0.000 0.722) 2.865 13.757 ( 1.037 -0.000 -1.343) 1.697 14.540 ( -9.310 0.000 -2.784) 9.717 14.611 ( 1.259 -0.000 0.592) 1.391 14.685 ( -14.835 0.000 -7.823) 16.771 14.856 ( -0.396 0.000 -1.193) 1.257 15.196 ( 0.027 -0.000 -5.276) 5.276 15.244 ( -9.072 0.000 0.283) 9.077 15.414 ( 7.736 -0.000 1.292) 7.844 15.929 ( 15.144 -0.000 4.640) 15.839 16.539 ( -4.697 0.000 -1.510) 4.934 16.568 ( -2.713 0.000 -2.695) 3.824 16.904 ( -1.955 0.000 1.287) 2.341 16.930 ( 1.245 -0.000 0.284) 1.277 17.123 ( -7.060 0.000 -2.912) 7.637 17.391 ( 5.500 -0.000 -0.273) 5.506 19.544 ( 2.206 -0.000 -1.097) 2.464 19.758 ( 8.663 -0.000 5.923) 10.494 21.002 ( 0.940 -0.000 -2.048) 2.253 21.055 ( 0.066 -0.000 2.853) 2.854 21.891 ( -6.040 0.000 3.164) 6.818 21.997 ( 3.375 -0.000 -2.394) 4.138 23.258 ( -1.937 0.000 3.316) 3.840 23.264 ( 3.821 -0.000 -2.726) 4.694 26.843 ( -0.138 0.000 -0.115) 0.179 26.844 ( -0.212 0.000 0.166) 0.270 29.376 ( -2.825 0.000 -3.707) 4.661 29.532 ( 2.297 -0.000 -0.882) 2.461 30.268 ( -26.495 0.000 -3.760) 26.760 30.456 ( 0.523 -0.000 -1.135) 1.250 30.552 ( -3.310 0.000 1.450) 3.614 30.856 ( 8.338 -0.000 -4.556) 9.502 31.185 ( -3.125 0.000 1.739) 3.577 31.658 ( 19.141 -0.000 -10.032) 21.611 31.839 ( 3.071 -0.000 -2.970) 4.272 31.939 ( 3.270 -0.000 0.076) 3.271 32.327 ( 0.628 -0.000 -5.081) 5.119 32.444 ( 5.991 -0.000 -2.721) 6.580 33.436 ( 3.236 -0.000 -7.107) 7.810 33.492 ( -5.795 0.000 8.700) 10.453 35.290 ( -2.139 0.000 0.179) 2.147 35.319 ( 1.797 -0.000 -2.802) 3.328 35.497 ( 0.476 -0.000 -5.254) 5.276 35.599 ( -2.483 0.000 4.404) 5.056 35.740 ( -0.081 0.000 -0.185) 0.202 35.913 ( 4.153 -0.000 8.904) 9.825 37.482 ( -30.184 0.000 8.428) 31.338 38.370 ( 20.799 -0.000 4.785) 21.342 ======================= Grid point 209 (100/114) ======================= q-point: ( 0.25 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 7.412 -11.269 -21.083) 25.028 1.644 ( 14.038 -1.855 -17.876) 22.805 2.043 ( 1.717 0.829 -2.508) 3.150 2.171 ( -0.270 -0.462 -4.285) 4.318 2.438 ( 1.889 2.675 -4.808) 5.818 2.517 ( 5.197 2.140 -4.959) 7.496 2.699 ( -1.434 -9.375 -12.980) 16.075 2.736 ( 8.089 -1.203 -4.164) 9.177 3.076 ( -4.674 -6.184 6.796) 10.309 3.130 ( -2.069 -7.695 8.662) 11.769 3.283 ( 0.863 -1.183 3.998) 4.257 3.393 ( 4.019 -7.874 7.525) 11.609 3.579 ( -2.469 4.192 -0.898) 4.947 3.765 ( -4.105 5.580 -5.359) 8.758 3.864 ( -0.856 1.332 1.192) 1.982 4.122 ( -0.263 0.199 6.027) 6.036 4.258 ( -6.133 1.338 1.090) 6.371 4.388 ( -8.324 -1.888 2.529) 8.902 4.504 ( -0.222 2.742 -1.029) 2.937 4.632 ( -2.336 -0.826 -3.824) 4.556 4.837 ( 1.007 -2.209 1.522) 2.865 5.006 ( 5.422 8.063 12.679) 15.974 5.260 ( -8.818 3.943 0.759) 9.689 5.312 ( 0.797 -2.185 -5.581) 6.047 5.426 ( -2.948 -4.022 -4.992) 7.056 5.572 ( -6.127 -3.707 -4.576) 8.498 5.770 ( -3.606 3.425 0.547) 5.003 5.827 ( -0.455 2.218 -3.573) 4.230 6.021 ( 2.493 7.722 0.944) 8.169 6.184 ( 1.897 0.377 2.486) 3.150 7.577 ( 4.777 1.336 -1.452) 5.168 7.764 ( 2.161 1.299 0.419) 2.556 7.894 ( 4.000 -1.315 2.847) 5.083 8.056 ( 5.066 3.911 1.893) 6.674 8.785 ( -2.381 1.845 -0.301) 3.028 8.886 ( -0.862 2.869 2.219) 3.728 9.002 ( 1.764 3.252 -3.330) 4.978 9.081 ( 5.222 0.305 -3.351) 6.212 9.271 ( -11.369 -2.238 0.151) 11.588 9.373 ( -7.151 -2.926 -0.802) 7.768 9.510 ( 4.708 0.907 -3.871) 6.162 9.657 ( -1.277 3.412 -3.287) 4.907 9.976 ( 8.383 3.969 1.076) 9.337 10.035 ( 1.016 -0.035 5.078) 5.179 10.483 ( 4.624 5.640 -2.713) 7.782 10.522 ( 1.665 6.393 7.048) 9.660 11.060 ( -2.958 -6.226 1.036) 6.970 11.234 ( -4.587 -2.878 4.884) 7.292 11.464 ( 3.033 -0.956 -3.836) 4.983 11.630 ( -1.067 -1.858 -5.152) 5.580 11.702 ( 11.411 7.047 1.403) 13.485 11.852 ( 6.180 1.500 -0.946) 6.429 12.159 ( -8.757 3.326 -10.625) 14.164 12.350 ( -4.788 -1.247 0.676) 4.994 12.366 ( -2.019 2.949 -4.941) 6.098 12.598 ( 1.647 3.961 -3.774) 5.714 12.673 ( 2.418 0.777 8.966) 9.319 12.918 ( -1.656 0.990 7.789) 8.024 13.324 ( -3.613 0.305 2.240) 4.262 13.520 ( 6.498 -8.232 1.210) 10.557 13.693 ( -2.681 2.781 -0.043) 3.863 13.791 ( -0.732 -4.763 -1.168) 4.959 14.235 ( -13.023 8.201 -9.049) 17.853 14.595 ( 1.680 0.046 -1.237) 2.087 14.879 ( -2.673 -14.442 -1.733) 14.790 15.031 ( -1.245 -18.511 3.925) 18.963 15.187 ( -4.866 -3.870 -1.107) 6.315 15.248 ( -6.906 -6.460 0.614) 9.476 15.567 ( 11.608 -6.864 0.342) 13.490 16.056 ( 9.250 -0.738 3.390) 9.880 16.440 ( -5.354 4.548 -2.319) 7.398 16.505 ( -5.457 1.345 -0.699) 5.664 16.883 ( -2.182 0.251 0.545) 2.263 16.971 ( 1.930 -2.951 0.887) 3.636 17.119 ( -4.072 -4.792 -2.037) 6.610 17.418 ( 3.134 0.009 -2.118) 3.783 19.607 ( 4.810 -4.389 0.191) 6.514 19.822 ( 6.913 2.584 4.423) 8.604 20.907 ( 1.673 9.474 -2.622) 9.971 20.960 ( -1.112 10.869 2.770) 11.272 21.979 ( -5.518 -11.453 3.847) 13.282 22.099 ( 1.765 -9.767 -4.007) 10.703 23.214 ( -2.469 5.206 3.566) 6.776 23.240 ( 3.826 4.194 -2.525) 6.213 26.939 ( -0.041 -10.749 -0.861) 10.783 27.045 ( -1.835 -20.705 5.803) 21.581 29.118 ( -0.957 19.919 -1.757) 20.019 29.438 ( 4.184 13.789 -3.454) 14.818 30.199 ( -13.508 -14.347 -7.510) 21.088 30.533 ( -3.602 -6.498 1.082) 7.508 30.579 ( -2.199 -4.066 3.610) 5.865 30.974 ( 4.575 -8.373 -2.897) 9.971 31.213 ( 0.385 -2.888 4.032) 4.974 31.668 ( 0.030 3.268 -5.144) 6.095 31.757 ( 8.820 10.927 -5.811) 15.198 31.897 ( 9.939 4.766 -8.291) 13.793 32.418 ( 3.164 -10.152 -4.680) 11.618 32.568 ( 5.656 -9.384 -3.383) 11.467 33.402 ( 2.199 2.304 -5.514) 6.367 33.468 ( -6.095 2.686 7.122) 9.751 35.286 ( -1.398 -0.887 0.604) 1.763 35.308 ( 1.233 0.420 -2.772) 3.063 35.520 ( 1.495 -4.073 -5.495) 7.001 35.580 ( -1.364 0.929 2.411) 2.922 35.817 ( -1.348 -6.873 3.722) 7.932 35.988 ( 3.753 0.321 7.624) 8.503 37.275 ( -24.743 6.121 13.699) 28.937 38.330 ( 11.894 19.049 -1.778) 22.528 ======================= Grid point 210 (101/114) ======================= q-point: ( 0.38 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.502 ( 7.208 -6.951 -17.115) 19.830 1.801 ( 9.802 -13.373 -2.968) 16.844 2.033 ( 7.634 0.984 2.251) 8.020 2.272 ( 5.983 -4.284 0.534) 7.378 2.417 ( -4.690 -2.267 1.937) 5.557 2.557 ( 1.779 -9.028 -14.334) 17.033 2.730 ( 5.466 -1.865 -10.627) 12.095 2.892 ( 0.589 -13.642 -11.215) 17.670 3.133 ( -3.653 -2.352 8.027) 9.128 3.160 ( -2.542 1.058 -1.111) 2.970 3.325 ( -0.100 -1.536 0.433) 1.600 3.498 ( -0.173 4.194 0.712) 4.257 3.545 ( 0.379 -1.535 -1.636) 2.276 3.668 ( 0.664 2.644 2.952) 4.018 3.878 ( 1.609 -1.275 2.832) 3.498 4.072 ( 1.157 6.933 4.431) 8.309 4.218 ( -6.285 -0.059 2.941) 6.939 4.337 ( -9.100 2.872 3.839) 10.286 4.529 ( 0.357 -2.742 1.231) 3.027 4.581 ( -1.428 2.961 -0.561) 3.335 4.875 ( -5.628 -2.564 0.519) 6.206 4.970 ( 3.882 6.205 6.392) 9.718 5.106 ( -4.624 4.420 -3.799) 7.440 5.364 ( 2.792 -3.698 -2.273) 5.161 5.457 ( -1.445 -2.188 -1.366) 2.957 5.560 ( -6.615 -1.759 -0.877) 6.900 5.707 ( -1.572 -2.272 -3.036) 4.105 5.772 ( 3.130 1.522 -4.363) 5.581 5.923 ( 1.839 5.679 2.016) 6.300 6.180 ( -2.138 2.021 3.355) 4.462 7.580 ( 4.693 2.471 1.361) 5.476 7.716 ( -0.008 2.926 -0.316) 2.943 7.892 ( -1.571 3.362 -0.047) 3.712 8.111 ( 7.614 -2.635 1.962) 8.292 8.772 ( 1.049 0.854 2.496) 2.839 8.821 ( -0.778 3.938 1.848) 4.419 8.965 ( 2.778 0.712 -3.329) 4.394 9.058 ( 3.073 4.419 -1.898) 5.707 9.232 ( -8.565 -1.687 -2.351) 9.040 9.339 ( -5.444 0.444 -1.275) 5.609 9.479 ( 1.795 1.540 -1.991) 3.091 9.634 ( 2.528 -1.829 -2.064) 3.741 9.925 ( 3.582 7.046 -0.399) 7.914 10.051 ( -3.684 0.023 2.657) 4.542 10.360 ( 2.674 7.667 -3.095) 8.690 10.405 ( -0.091 8.607 0.849) 8.649 11.171 ( -1.475 -5.728 3.180) 6.716 11.302 ( -4.409 -5.318 3.064) 7.557 11.494 ( 3.357 -2.307 -4.873) 6.351 11.596 ( -1.090 1.554 -3.990) 4.419 11.667 ( 8.455 4.621 -0.985) 9.686 11.807 ( -0.016 3.597 -6.459) 7.393 12.114 ( 3.554 -4.417 -1.319) 5.820 12.282 ( -3.615 1.378 -2.788) 4.768 12.338 ( -2.335 2.220 4.531) 5.560 12.526 ( 1.708 1.470 -4.576) 5.101 12.700 ( -0.579 3.515 6.995) 7.849 12.901 ( -2.106 3.751 4.821) 6.461 13.354 ( -1.545 -4.556 3.376) 5.877 13.597 ( -0.543 0.895 -0.148) 1.057 13.715 ( 4.078 -2.774 3.286) 5.927 13.886 ( -3.447 -6.377 -9.320) 11.807 14.009 ( -1.170 4.833 -0.222) 4.977 14.602 ( 2.905 0.657 -1.295) 3.248 15.014 ( -1.756 -4.265 -2.123) 5.078 15.305 ( 1.593 -12.174 5.536) 13.468 15.324 ( -3.857 -5.777 2.535) 7.395 15.351 ( -7.684 -11.325 1.038) 13.725 15.786 ( 9.781 -8.749 -0.051) 13.123 16.082 ( 3.564 3.470 -2.506) 5.569 16.291 ( -5.395 6.473 -1.416) 8.544 16.533 ( -8.082 -8.069 7.319) 13.565 16.884 ( -0.957 -1.410 0.171) 1.713 17.057 ( 0.647 -4.120 0.771) 4.241 17.177 ( 0.231 -4.272 -0.569) 4.316 17.419 ( 1.223 -0.214 -2.638) 2.916 19.762 ( 5.680 -7.990 0.327) 9.809 19.856 ( 3.976 -0.565 3.117) 5.083 20.704 ( 1.659 12.265 -3.352) 12.823 20.732 ( -2.331 14.248 2.269) 14.615 22.205 ( -4.694 -14.950 4.274) 16.242 22.278 ( 1.603 -12.022 -6.229) 13.635 23.088 ( -2.723 8.613 3.447) 9.668 23.147 ( 2.117 7.301 -2.459) 7.989 27.192 ( 1.200 -17.683 -1.038) 17.754 27.500 ( -7.918 -26.370 10.769) 29.565 28.746 ( 2.781 22.506 1.643) 22.737 29.126 ( 4.479 20.331 -6.392) 21.778 30.412 ( -0.936 -16.493 -1.709) 16.608 30.629 ( -2.446 -6.916 2.673) 7.807 30.688 ( -3.776 -8.141 3.048) 9.477 31.094 ( 0.368 -3.731 -2.039) 4.268 31.352 ( 1.765 -6.974 5.883) 9.293 31.530 ( -2.026 7.225 -1.138) 7.590 31.549 ( 1.995 13.343 -2.593) 13.738 31.862 ( 10.485 0.735 -17.683) 20.571 32.624 ( 5.228 -11.300 -3.737) 13.000 32.774 ( 3.298 -10.747 -1.035) 11.290 33.322 ( -0.811 5.110 -1.818) 5.484 33.390 ( -4.138 4.556 2.814) 6.767 35.298 ( 0.393 -0.492 -0.572) 0.850 35.313 ( 0.039 -1.677 -0.042) 1.678 35.532 ( -0.116 -0.752 -3.821) 3.896 35.629 ( 1.841 -3.281 0.374) 3.781 35.962 ( -1.076 -7.454 2.812) 8.040 36.058 ( 1.325 -2.821 6.032) 6.789 37.072 ( -16.721 8.325 17.169) 25.371 37.943 ( 6.832 25.089 -12.325) 28.776 ======================= Grid point 211 (102/114) ======================= q-point: ( 0.50 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.623 ( 10.783 -5.320 -0.548) 12.037 2.031 ( 13.035 -1.262 -4.831) 13.958 2.153 ( 9.454 -1.382 6.963) 11.823 2.381 ( 0.255 -4.187 -0.302) 4.205 2.476 ( 0.544 -6.007 5.155) 7.934 2.622 ( -7.153 -5.038 -2.902) 9.218 2.728 ( -3.304 -2.116 -4.877) 6.259 3.013 ( -2.246 -6.648 -2.955) 7.614 3.161 ( 2.662 -4.184 -3.388) 6.006 3.263 ( 0.373 -11.104 -8.003) 13.693 3.349 ( 0.506 -1.623 0.294) 1.725 3.394 ( -3.698 5.775 -4.032) 7.955 3.508 ( -5.528 2.246 -4.774) 7.641 3.671 ( 6.401 -0.095 2.645) 6.927 3.892 ( -2.112 4.598 3.280) 6.030 4.059 ( 0.658 8.644 7.621) 11.543 4.088 ( 1.655 -1.870 -0.967) 2.678 4.311 ( -6.548 -2.903 5.307) 8.915 4.486 ( -3.449 3.597 -1.954) 5.353 4.570 ( 1.901 0.301 1.068) 2.201 4.790 ( -6.244 2.772 -7.397) 10.069 4.967 ( 2.277 1.107 2.307) 3.425 5.021 ( 0.347 1.962 2.420) 3.135 5.424 ( 1.925 -0.973 -0.529) 2.221 5.475 ( 0.639 -0.196 1.090) 1.279 5.538 ( -3.419 -1.005 0.077) 3.564 5.755 ( -0.307 -3.361 -1.927) 3.887 5.815 ( 4.739 -0.843 0.546) 4.844 5.879 ( -1.105 -2.620 -2.090) 3.528 6.114 ( -5.217 4.212 3.027) 7.356 7.574 ( 3.188 2.730 3.356) 5.374 7.691 ( 1.353 1.231 1.655) 2.467 7.838 ( -0.000 0.935 -0.638) 1.132 8.183 ( 1.003 -0.484 -1.647) 1.988 8.766 ( 2.892 3.357 3.847) 5.868 8.778 ( 0.281 1.445 -1.923) 2.422 8.960 ( 1.506 3.119 -0.282) 3.475 8.974 ( 0.266 2.433 -0.611) 2.522 9.179 ( -4.850 -0.692 -3.090) 5.792 9.283 ( -3.604 0.819 -1.676) 4.058 9.514 ( 4.230 -2.731 -0.510) 5.061 9.687 ( -0.137 -3.320 -0.762) 3.409 9.794 ( -2.936 6.996 1.898) 7.821 10.015 ( -4.556 -0.933 -2.573) 5.315 10.263 ( 1.328 5.591 -1.384) 5.911 10.286 ( 3.855 4.327 1.046) 5.889 11.259 ( -0.533 -3.139 2.011) 3.766 11.369 ( -3.878 -3.901 2.089) 5.884 11.514 ( 7.314 1.952 -6.043) 9.686 11.566 ( -1.005 -1.039 0.848) 1.676 11.639 ( 2.383 3.154 -3.489) 5.272 11.737 ( -1.584 -1.587 -1.976) 2.988 12.224 ( -3.616 -0.567 -3.418) 5.008 12.265 ( 1.116 -4.185 1.706) 4.656 12.284 ( 1.104 1.872 2.357) 3.206 12.526 ( 0.169 -3.376 -4.477) 5.609 12.636 ( 0.239 6.391 5.810) 8.641 12.799 ( -1.636 8.120 1.717) 8.460 13.462 ( -1.851 -6.052 2.057) 6.655 13.641 ( 2.545 -3.029 2.728) 4.805 13.745 ( -3.551 1.862 -5.326) 6.666 13.790 ( -2.714 -0.947 -0.973) 3.035 14.092 ( 10.904 -0.486 2.166) 11.128 14.595 ( 0.102 1.603 0.970) 1.876 15.071 ( -0.938 -4.913 0.831) 5.071 15.329 ( 1.009 2.827 0.153) 3.006 15.429 ( -7.202 -5.139 -1.181) 8.927 15.543 ( -1.051 -8.539 1.611) 8.753 15.975 ( 9.669 -0.709 2.793) 10.089 16.053 ( -1.946 -0.495 -1.763) 2.672 16.170 ( 0.217 -1.129 -3.191) 3.392 16.608 ( -9.390 -2.467 4.119) 10.547 16.913 ( 1.053 -1.182 0.883) 1.812 17.105 ( -2.886 -2.470 -0.700) 3.862 17.258 ( 3.882 -1.825 1.119) 4.433 17.428 ( -0.335 -1.253 -0.798) 1.523 19.933 ( 2.721 -4.847 2.307) 6.018 19.971 ( 3.412 -8.647 0.209) 9.298 20.469 ( -3.078 13.636 2.400) 14.184 20.490 ( 1.153 10.377 -3.788) 11.107 22.458 ( -3.509 -14.057 3.549) 14.917 22.474 ( 2.099 -12.409 -5.549) 13.754 22.923 ( -1.622 9.921 2.630) 10.391 22.993 ( 0.231 9.224 -2.175) 9.480 27.553 ( 3.292 -21.298 0.084) 21.551 27.903 ( -11.150 -21.182 5.870) 24.646 28.391 ( 3.161 21.708 4.955) 22.490 28.742 ( 2.769 21.527 -8.842) 23.436 30.675 ( 2.853 -11.035 1.617) 11.512 30.783 ( 1.405 -6.984 7.271) 10.179 30.835 ( -3.422 -9.894 1.267) 10.545 31.117 ( 3.055 -0.180 -1.983) 3.647 31.307 ( -0.441 11.561 -1.797) 11.708 31.346 ( 1.883 8.635 0.767) 8.871 31.548 ( -3.489 -5.952 4.188) 8.071 31.818 ( 3.027 -0.509 -15.020) 15.330 32.827 ( 4.922 -8.521 -2.484) 10.149 32.967 ( 1.282 -8.917 -0.011) 9.009 33.195 ( -3.167 7.159 2.366) 8.178 33.292 ( -1.296 4.226 -1.181) 4.575 35.311 ( 0.555 -0.866 -0.177) 1.044 35.348 ( 0.616 -1.295 1.018) 1.759 35.531 ( 0.219 -1.437 -3.549) 3.836 35.661 ( -0.979 0.894 0.847) 1.573 36.083 ( 3.271 -5.340 -1.849) 6.529 36.174 ( -2.309 -5.199 5.965) 8.243 36.942 ( -7.338 5.656 15.103) 17.719 37.513 ( 2.815 17.052 -14.113) 22.313 ======================= Grid point 212 (103/114) ======================= q-point: (-0.38 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 12.219 1.394 10.204) 15.980 2.068 ( 9.929 9.309 5.471) 14.669 2.150 ( -0.235 4.332 0.467) 4.364 2.355 ( -4.910 2.321 -1.857) 5.739 2.548 ( 0.560 7.447 0.161) 7.470 2.695 ( 4.456 -9.018 0.845) 10.094 2.780 ( -5.074 -6.294 -0.839) 8.128 3.109 ( -4.860 6.879 -7.828) 11.498 3.132 ( 0.046 -6.054 7.874) 9.933 3.294 ( 3.099 -1.769 -1.633) 3.924 3.361 ( -3.271 -2.786 -3.929) 5.822 3.377 ( -0.003 -3.324 -5.720) 6.616 3.510 ( -5.700 -8.487 -2.340) 10.488 3.601 ( -6.047 8.862 1.104) 10.785 3.825 ( 2.118 -1.090 -0.957) 2.567 4.006 ( 6.142 1.203 6.849) 9.278 4.228 ( -7.110 -5.033 -2.438) 9.046 4.333 ( 2.397 0.664 -4.173) 4.858 4.418 ( 1.496 -1.710 7.049) 7.406 4.602 ( 4.982 0.992 1.256) 5.233 4.717 ( 0.727 -2.251 -5.429) 5.922 4.948 ( -6.062 -3.698 -4.314) 8.308 5.071 ( 8.633 1.471 7.354) 11.435 5.408 ( -2.174 1.875 -1.510) 3.244 5.492 ( 1.717 -0.761 0.883) 2.076 5.538 ( 1.051 0.199 -1.733) 2.037 5.764 ( -1.273 5.374 2.018) 5.880 5.790 ( -2.788 -0.865 1.705) 3.381 5.970 ( -0.909 -3.984 -4.137) 5.815 6.020 ( -2.462 0.973 0.561) 2.707 7.584 ( 3.183 1.288 4.788) 5.892 7.693 ( 1.281 0.941 1.873) 2.456 7.849 ( 2.503 -0.891 -0.418) 2.689 8.112 ( -5.702 3.926 -5.412) 8.787 8.724 ( 2.298 3.757 -0.587) 4.443 8.763 ( 0.629 0.813 2.025) 2.270 8.908 ( -2.109 0.566 0.302) 2.204 8.953 ( -0.249 1.661 -1.055) 1.983 9.182 ( -1.162 -4.420 -2.143) 5.048 9.258 ( -3.434 -3.021 -1.564) 4.834 9.538 ( 1.478 2.001 -0.232) 2.499 9.700 ( -5.401 1.409 -0.304) 5.590 9.787 ( 5.645 -5.060 4.190) 8.662 10.022 ( -2.845 -4.394 -2.998) 6.032 10.205 ( -1.326 1.564 4.996) 5.401 10.275 ( 5.611 1.420 -2.902) 6.475 11.287 ( 0.488 0.832 0.684) 1.183 11.384 ( -4.388 -0.326 0.931) 4.498 11.493 ( 5.972 2.495 -4.638) 7.962 11.558 ( 0.075 2.883 -1.645) 3.320 11.632 ( -0.387 -3.526 4.193) 5.492 11.787 ( -2.398 -4.035 0.838) 4.768 12.184 ( -2.433 0.549 -1.830) 3.094 12.206 ( -2.377 1.558 -2.273) 3.639 12.393 ( 4.364 -1.180 2.196) 5.026 12.534 ( -2.132 1.391 -0.414) 2.579 12.643 ( 3.135 -5.491 -2.495) 6.797 12.660 ( -1.928 4.317 2.813) 5.501 13.493 ( 0.402 3.212 -3.375) 4.676 13.612 ( -6.021 0.796 -1.485) 6.252 13.798 ( 2.431 -2.886 6.389) 7.420 13.851 ( 4.086 -7.167 -0.858) 8.294 14.152 ( 8.818 3.408 4.346) 10.404 14.528 ( -5.130 4.252 -1.756) 6.891 15.192 ( 3.373 -6.077 3.515) 7.789 15.285 ( 2.948 4.558 2.421) 5.944 15.453 ( -4.107 -4.541 -5.977) 8.556 15.559 ( -7.962 -0.378 -4.283) 9.049 15.916 ( 6.238 8.821 2.776) 11.156 16.183 ( -5.151 0.463 -1.385) 5.355 16.194 ( 7.190 -5.276 7.051) 11.369 16.575 ( -4.606 -2.481 -5.619) 7.678 16.944 ( 3.136 0.064 0.651) 3.204 17.099 ( -4.684 -0.327 -0.846) 4.771 17.297 ( 4.634 1.270 1.070) 4.922 17.427 ( -2.242 0.392 -0.017) 2.276 19.979 ( 1.715 4.294 -0.225) 4.629 20.053 ( -2.400 5.470 -0.050) 5.974 20.333 ( 2.222 -3.360 -0.360) 4.044 20.387 ( -1.445 -2.142 0.594) 2.651 22.623 ( 0.804 -1.953 0.076) 2.113 22.664 ( -0.690 -3.710 -0.947) 3.891 22.772 ( 1.265 2.655 0.506) 2.984 22.855 ( -2.357 0.890 -0.592) 2.588 27.945 ( 1.056 16.427 3.749) 16.882 27.978 ( 4.703 -20.443 0.937) 20.998 28.243 ( -0.631 8.396 -5.755) 10.198 28.374 ( -7.938 -2.217 -1.040) 8.307 30.838 ( 2.935 0.421 2.504) 3.881 30.863 ( 3.277 1.814 1.734) 4.127 30.990 ( 0.667 -6.809 3.027) 7.481 31.111 ( -0.930 2.165 -0.281) 2.373 31.227 ( 2.002 0.007 2.848) 3.481 31.248 ( 4.745 0.044 0.478) 4.770 31.566 ( -1.332 1.965 -4.126) 4.760 31.774 ( -7.625 -2.211 -3.058) 8.508 32.915 ( 2.184 2.162 -1.083) 3.259 33.004 ( -5.493 5.172 1.412) 7.676 33.165 ( 5.559 -4.853 -1.412) 7.513 33.249 ( -1.838 -1.935 1.140) 2.902 35.331 ( 1.158 -0.387 0.819) 1.470 35.370 ( 0.713 0.173 1.096) 1.319 35.542 ( 0.119 -1.812 -3.438) 3.888 35.611 ( -3.294 2.407 0.249) 4.087 36.140 ( -1.222 1.948 4.567) 5.114 36.221 ( 1.866 1.531 -3.168) 3.982 36.955 ( 6.723 -2.192 2.985) 7.676 37.303 ( -6.531 -1.557 -3.435) 7.542 ======================= Grid point 213 (104/114) ======================= q-point: (-0.25 0.12 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( 6.382 9.283 7.173) 13.355 1.930 ( -2.264 12.101 0.886) 12.342 2.006 ( 0.812 10.468 5.624) 11.911 2.148 ( -6.770 10.834 -6.025) 14.125 2.540 ( 3.706 -0.205 9.228) 9.946 2.726 ( -4.079 0.676 -10.584) 11.363 2.855 ( 4.905 -0.300 7.781) 9.203 3.012 ( -2.733 -2.296 -7.917) 8.684 3.251 ( -0.478 4.252 6.597) 7.863 3.269 ( -0.646 0.183 -1.559) 1.697 3.387 ( 1.652 -1.645 3.242) 3.993 3.422 ( -0.298 -3.851 -1.823) 4.271 3.474 ( -0.039 -2.425 0.847) 2.569 3.599 ( -4.181 -2.224 -6.892) 8.362 3.872 ( 6.405 0.527 6.282) 8.987 4.059 ( -4.301 -0.194 -1.651) 4.611 4.204 ( 1.259 -4.445 0.789) 4.686 4.338 ( -5.712 -4.403 -3.810) 8.157 4.553 ( 7.545 -2.559 3.440) 8.678 4.611 ( 2.235 0.486 0.475) 2.336 4.765 ( 3.924 1.072 1.491) 4.332 4.914 ( -6.147 2.087 -6.487) 9.177 5.202 ( 10.594 -5.998 1.804) 12.307 5.361 ( -7.298 -3.492 -0.019) 8.091 5.522 ( 5.522 0.293 -3.018) 6.300 5.546 ( -2.461 -1.880 2.939) 4.269 5.674 ( 1.054 3.538 -0.800) 3.777 5.738 ( -7.568 2.561 1.939) 8.221 5.975 ( 3.133 -0.418 1.893) 3.684 6.052 ( -1.944 -3.315 -4.213) 5.702 7.625 ( 3.807 0.234 4.215) 5.684 7.698 ( -0.887 -0.098 1.074) 1.397 7.880 ( 2.280 -0.485 -1.473) 2.757 7.943 ( -6.104 5.148 -3.728) 8.812 8.710 ( 2.092 -0.638 1.005) 2.407 8.759 ( -1.912 -0.714 -1.188) 2.362 8.903 ( -0.680 -0.974 0.365) 1.243 8.926 ( -2.200 -1.316 -1.067) 2.777 9.288 ( 2.871 -7.516 -1.759) 8.236 9.327 ( -3.093 -7.244 0.340) 7.884 9.535 ( 2.700 1.001 3.291) 4.373 9.625 ( -4.260 1.976 -2.005) 5.106 9.930 ( 6.051 -1.463 4.965) 7.963 10.046 ( -2.860 -1.331 -3.319) 4.579 10.241 ( -2.821 -3.498 6.265) 7.710 10.281 ( 2.725 -1.683 -5.771) 6.600 11.258 ( 2.808 3.381 0.368) 4.411 11.336 ( -5.193 1.572 -1.531) 5.638 11.467 ( 4.081 2.088 -3.098) 5.533 11.504 ( -3.860 2.025 2.421) 4.986 11.718 ( 3.691 -1.672 2.490) 4.756 11.801 ( -5.196 0.201 0.844) 5.268 12.174 ( -0.264 -2.489 0.898) 2.659 12.186 ( -0.157 -2.736 -2.595) 3.774 12.422 ( 1.907 1.236 4.759) 5.274 12.486 ( -0.566 0.910 -3.927) 4.071 12.692 ( 1.177 -4.052 4.545) 6.202 12.759 ( 0.200 -6.262 -4.993) 8.011 13.412 ( 4.629 3.970 -2.660) 6.653 13.508 ( -8.318 2.922 -1.099) 8.884 13.898 ( 7.423 2.372 6.528) 10.166 13.990 ( 1.197 -2.623 -1.733) 3.364 14.201 ( 5.764 -1.458 8.101) 10.049 14.396 ( -7.622 -0.561 -6.863) 10.272 15.216 ( 3.904 6.047 2.897) 7.759 15.309 ( -3.174 5.030 -3.379) 6.840 15.405 ( 3.151 -2.978 4.411) 6.185 15.551 ( -6.110 -4.407 -6.202) 9.758 15.834 ( 10.797 9.367 0.796) 14.316 16.000 ( -10.567 8.994 1.314) 13.939 16.396 ( 5.065 -4.817 8.118) 10.713 16.552 ( -1.263 -1.380 -10.367) 10.534 16.956 ( 4.559 2.105 -0.396) 5.037 17.032 ( -5.549 2.912 -0.023) 6.267 17.312 ( 4.911 1.509 1.005) 5.235 17.387 ( -3.920 1.070 0.040) 4.064 19.838 ( 0.263 9.710 -1.099) 9.775 19.854 ( -2.604 10.736 -0.027) 11.047 20.512 ( 3.180 -11.930 -2.925) 12.689 20.520 ( -2.593 -11.027 3.498) 11.856 22.501 ( 2.957 12.665 -1.658) 13.111 22.518 ( -1.829 11.559 2.130) 11.896 22.919 ( 2.482 -10.105 -2.366) 10.671 22.946 ( -3.745 -9.325 1.292) 10.132 27.622 ( 2.665 22.202 7.056) 23.448 27.773 ( -2.458 23.503 -12.288) 26.635 28.456 ( 8.687 -22.413 2.685) 24.187 28.623 ( -10.513 -22.091 0.254) 24.467 30.753 ( 1.437 8.185 3.460) 9.001 30.787 ( 1.593 7.843 -2.777) 8.471 31.060 ( 10.213 7.526 5.036) 13.649 31.192 ( 2.619 -6.362 -0.390) 6.892 31.229 ( -1.007 -1.068 -2.002) 2.482 31.327 ( -7.032 -4.740 -0.715) 8.510 31.532 ( 8.417 -0.899 0.387) 8.474 31.718 ( -14.081 -0.766 1.753) 14.211 32.805 ( -0.007 9.386 2.474) 9.706 32.849 ( -2.354 8.565 -2.150) 9.139 33.294 ( 3.208 -5.597 -0.564) 6.476 33.320 ( -1.174 -5.318 0.635) 5.483 35.346 ( 1.644 0.839 1.168) 2.184 35.364 ( 0.107 1.400 0.666) 1.554 35.551 ( -0.497 -0.457 -1.298) 1.463 35.561 ( -2.417 -0.421 -0.924) 2.622 36.061 ( -3.891 7.810 8.504) 12.184 36.108 ( 3.949 8.535 -9.505) 13.371 37.166 ( 19.188 -11.277 -5.744) 22.986 37.391 ( -17.511 -15.418 5.289) 23.923 ======================= Grid point 214 (105/114) ======================= q-point: (-0.12 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.682 ( 5.734 9.727 -8.539) 14.157 1.682 ( -5.734 9.727 8.539) 14.157 1.949 ( 1.535 2.154 -11.579) 11.878 1.949 ( -1.535 2.154 11.579) 11.878 2.629 ( -3.250 0.116 -8.977) 9.548 2.629 ( 3.250 0.116 8.977) 9.548 2.900 ( -6.109 6.554 -11.140) 14.296 2.900 ( 6.109 6.553 11.140) 14.296 3.191 ( -2.366 4.169 -7.585) 8.973 3.191 ( 2.366 4.169 7.585) 8.973 3.370 ( -4.956 9.903 -4.364) 11.902 3.370 ( 4.956 9.903 4.364) 11.902 3.611 ( -3.893 -8.553 -6.080) 11.193 3.611 ( 3.893 -8.553 6.080) 11.193 3.994 ( -7.215 -2.713 -8.819) 11.713 3.994 ( 7.215 -2.713 8.819) 11.713 4.348 ( -5.387 -3.648 -3.630) 7.450 4.348 ( 5.387 -3.648 3.630) 7.450 4.642 ( 3.763 -2.497 -2.947) 5.393 4.642 ( -3.763 -2.497 2.947) 5.393 4.744 ( -6.153 3.781 -1.595) 7.396 4.744 ( 6.153 3.781 1.595) 7.396 5.379 ( 9.025 -1.677 -3.294) 9.753 5.379 ( -9.025 -1.677 3.294) 9.753 5.572 ( -0.562 -2.503 -5.972) 6.499 5.572 ( 0.562 -2.503 5.972) 6.499 5.692 ( 4.640 -4.337 -5.714) 8.543 5.692 ( -4.640 -4.337 5.714) 8.543 6.037 ( -4.949 -0.683 -3.392) 6.039 6.037 ( 4.949 -0.683 3.392) 6.039 7.668 ( -4.338 0.744 -2.568) 5.096 7.668 ( 4.338 0.744 2.568) 5.096 7.870 ( -0.262 0.537 -3.640) 3.689 7.870 ( 0.262 0.537 3.640) 3.689 8.783 ( -0.285 -4.889 -2.496) 5.497 8.783 ( 0.285 -4.889 2.496) 5.497 8.945 ( -1.961 -2.611 -0.748) 3.350 8.945 ( 1.961 -2.611 0.748) 3.350 9.425 ( 0.299 -4.055 -1.106) 4.214 9.425 ( -0.299 -4.055 1.106) 4.214 9.568 ( -6.910 -1.344 -0.134) 7.041 9.568 ( 6.910 -1.344 0.134) 7.041 9.968 ( -4.302 3.853 -4.646) 7.412 9.968 ( 4.302 3.853 4.646) 7.412 10.332 ( 3.963 -5.018 -6.012) 8.777 10.332 ( -3.963 -5.018 6.012) 8.777 11.236 ( -5.390 3.452 -1.855) 6.664 11.236 ( 5.390 3.452 1.855) 6.664 11.454 ( 3.071 1.030 -3.668) 4.894 11.454 ( -3.071 1.030 3.668) 4.894 11.759 ( -2.322 0.302 -0.247) 2.355 11.759 ( 2.322 0.302 0.247) 2.355 12.276 ( 1.007 -7.421 -2.020) 7.757 12.276 ( -1.007 -7.421 2.020) 7.757 12.455 ( 0.502 -0.768 -6.396) 6.461 12.455 ( -0.502 -0.768 6.396) 6.461 12.785 ( -1.343 -1.031 -6.551) 6.766 12.785 ( 1.343 -1.031 6.551) 6.766 13.413 ( -4.618 0.746 -0.748) 4.737 13.413 ( 4.618 0.746 0.748) 4.737 13.880 ( -5.643 7.205 -2.643) 9.526 13.880 ( 5.643 7.205 2.643) 9.526 14.400 ( -7.759 -8.066 -4.157) 11.939 14.400 ( 7.759 -8.066 4.157) 11.939 15.135 ( -1.712 8.022 -3.335) 8.854 15.135 ( 1.712 8.022 3.335) 8.854 15.466 ( -2.814 5.711 -4.857) 8.008 15.466 ( 2.814 5.711 4.857) 8.008 15.774 ( -9.825 7.230 -4.903) 13.147 15.774 ( 9.825 7.230 4.903) 13.147 16.511 ( -0.582 -1.560 -6.140) 6.362 16.511 ( 0.582 -1.560 6.140) 6.362 16.943 ( -1.558 2.276 -0.712) 2.849 16.943 ( 1.558 2.276 0.712) 2.849 17.330 ( -5.007 1.553 -1.286) 5.397 17.330 ( 5.007 1.553 1.286) 5.397 19.685 ( -0.038 6.675 -3.019) 7.326 19.685 ( 0.038 6.675 3.019) 7.326 20.731 ( 2.262 -12.218 -3.775) 12.987 20.731 ( -2.262 -12.218 3.775) 12.987 22.282 ( 2.934 13.513 -2.579) 14.067 22.282 ( -2.934 13.513 2.579) 14.067 23.087 ( 3.849 -8.031 -4.307) 9.892 23.087 ( -3.849 -8.031 4.307) 9.892 27.296 ( -1.720 21.206 -7.480) 22.553 27.296 ( 1.720 21.206 7.480) 22.553 28.939 ( -8.958 -22.379 -2.376) 24.222 28.939 ( 8.958 -22.379 2.376) 24.222 30.644 ( -0.149 6.881 -3.488) 7.716 30.644 ( 0.149 6.881 3.488) 7.716 31.001 ( -9.158 10.880 -6.391) 15.591 31.001 ( 9.158 10.880 6.391) 15.591 31.379 ( -10.410 -3.454 -1.588) 11.082 31.379 ( 10.410 -3.454 1.588) 11.082 31.661 ( -2.390 -5.147 -2.715) 6.291 31.661 ( 2.390 -5.147 2.715) 6.291 32.650 ( -0.962 10.302 -3.696) 10.988 32.650 ( 0.962 10.302 3.696) 10.988 33.396 ( 4.076 -4.036 -7.198) 9.204 33.396 ( -4.076 -4.036 7.198) 9.204 35.337 ( 0.604 1.354 -1.047) 1.815 35.337 ( -0.604 1.354 1.047) 1.815 35.561 ( -0.795 -0.746 -0.806) 1.356 35.561 ( 0.795 -0.746 0.806) 1.356 35.931 ( 3.243 8.121 -6.416) 10.846 35.931 ( -3.243 8.121 6.416) 10.846 37.554 ( -14.958 -16.327 0.161) 22.144 37.554 ( 14.958 -16.327 -0.161) 22.144 ======================= Grid point 218 (106/114) ======================= q-point: ( 0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( 11.997 -0.000 -23.481) 26.368 1.598 ( 15.418 -0.000 -29.609) 33.383 1.983 ( -10.215 0.000 -3.817) 10.904 2.028 ( -8.723 0.000 -14.872) 17.241 2.369 ( 8.893 -0.000 -25.144) 26.670 2.578 ( 10.225 -0.000 -2.514) 10.529 2.774 ( 6.471 -0.000 -0.114) 6.472 2.854 ( -3.407 0.000 2.051) 3.976 2.947 ( 7.200 -0.000 22.751) 23.863 3.116 ( 3.414 -0.000 7.391) 8.141 3.300 ( 2.935 -0.000 -0.238) 2.944 3.372 ( 0.113 -0.000 6.363) 6.364 3.613 ( 0.449 -0.000 1.185) 1.267 3.746 ( -0.973 0.000 -3.656) 3.784 3.889 ( -6.282 0.000 3.364) 7.126 4.153 ( 0.338 -0.000 11.560) 11.565 4.228 ( -6.904 0.000 2.555) 7.362 4.340 ( -5.819 0.000 3.537) 6.810 4.536 ( -2.393 0.000 -5.669) 6.154 4.545 ( -1.812 0.000 -0.657) 1.927 4.829 ( -1.236 0.000 -0.936) 1.551 5.217 ( -5.561 0.000 7.067) 8.993 5.221 ( -4.895 0.000 -1.000) 4.996 5.259 ( 1.271 -0.000 -0.743) 1.472 5.330 ( -0.625 0.000 -3.255) 3.314 5.457 ( -4.423 0.000 -3.960) 5.937 5.738 ( -8.025 0.000 -3.333) 8.689 5.808 ( -2.865 0.000 -4.939) 5.710 6.122 ( 2.575 -0.000 -0.972) 2.752 6.213 ( 2.810 -0.000 0.309) 2.827 7.659 ( 9.934 -0.000 1.134) 9.998 7.804 ( 1.318 -0.000 2.200) 2.564 7.915 ( 3.403 -0.000 -0.069) 3.404 8.130 ( 0.074 -0.000 2.681) 2.682 8.791 ( -1.461 0.000 -0.041) 1.462 8.890 ( -2.048 0.000 1.044) 2.299 9.024 ( -1.223 0.000 -5.740) 5.869 9.070 ( 2.802 -0.000 -5.124) 5.840 9.192 ( -8.741 0.000 0.080) 8.742 9.296 ( -2.343 0.000 2.033) 3.102 9.525 ( 4.816 -0.000 -5.736) 7.490 9.648 ( -4.514 0.000 -3.771) 5.882 10.090 ( 1.345 -0.000 6.468) 6.606 10.102 ( 9.584 -0.000 2.635) 9.940 10.558 ( 4.741 -0.000 -3.709) 6.020 10.640 ( -4.889 0.000 7.501) 8.954 10.951 ( -2.397 0.000 -2.132) 3.208 11.202 ( -6.094 0.000 5.839) 8.440 11.436 ( -0.529 0.000 -5.056) 5.083 11.566 ( -1.516 0.000 -6.498) 6.673 11.887 ( 0.376 -0.000 -4.771) 4.785 11.901 ( 15.581 -0.000 1.822) 15.687 12.090 ( -0.538 0.000 -6.192) 6.215 12.275 ( -4.693 0.000 1.611) 4.962 12.354 ( -2.346 0.000 -7.172) 7.546 12.615 ( -1.467 0.000 9.482) 9.594 12.870 ( 9.351 -0.000 6.841) 11.586 12.956 ( -2.332 0.000 7.385) 7.744 13.322 ( -2.534 0.000 -0.381) 2.562 13.425 ( 3.641 -0.000 1.594) 3.974 13.699 ( -2.583 0.000 0.136) 2.587 13.760 ( 0.307 -0.000 -1.624) 1.653 14.155 ( -11.122 0.000 -7.839) 13.607 14.598 ( -0.809 0.000 0.206) 0.834 14.625 ( 0.324 -0.000 -0.368) 0.490 14.882 ( 3.016 -0.000 1.767) 3.496 15.140 ( 0.910 -0.000 -5.828) 5.899 15.149 ( -6.104 0.000 1.577) 6.304 15.598 ( 12.851 -0.000 1.232) 12.910 16.136 ( 6.818 -0.000 2.599) 7.297 16.434 ( -6.368 0.000 -1.601) 6.567 16.461 ( -5.272 0.000 -4.926) 7.216 16.889 ( -1.483 0.000 1.005) 1.791 16.954 ( 0.208 -0.000 0.741) 0.769 17.023 ( -2.273 0.000 -0.874) 2.435 17.418 ( 1.152 -0.000 -4.187) 4.343 19.615 ( 6.152 -0.000 1.523) 6.337 19.928 ( 5.149 -0.000 3.482) 6.215 21.005 ( 2.074 -0.000 -1.555) 2.592 21.080 ( -1.006 0.000 2.515) 2.709 21.846 ( -5.645 0.000 4.813) 7.418 21.986 ( 0.875 -0.000 -5.209) 5.282 23.260 ( -2.554 0.000 2.902) 3.866 23.286 ( 2.535 -0.000 -3.261) 4.130 26.841 ( 0.042 -0.000 0.011) 0.044 26.843 ( -0.195 0.000 0.209) 0.286 29.385 ( 6.099 -0.000 2.873) 6.742 29.529 ( 0.838 -0.000 -3.371) 3.473 29.924 ( -6.202 0.000 -3.998) 7.379 30.464 ( 0.116 -0.000 1.533) 1.537 30.546 ( -2.425 0.000 3.136) 3.964 30.927 ( 7.115 -0.000 -3.449) 7.907 31.204 ( -0.445 0.000 3.532) 3.560 31.642 ( 0.160 -0.000 -11.877) 11.878 31.924 ( 11.730 -0.000 -8.471) 14.469 31.979 ( 2.356 -0.000 -0.630) 2.439 32.295 ( 2.049 -0.000 -3.865) 4.375 32.482 ( 7.957 -0.000 -10.363) 13.066 33.411 ( 2.683 -0.000 -5.206) 5.857 33.484 ( -7.098 0.000 7.278) 10.167 35.275 ( -0.750 0.000 1.586) 1.754 35.314 ( 2.449 -0.000 -3.585) 4.342 35.455 ( 0.821 -0.000 -4.137) 4.218 35.584 ( -5.052 0.000 3.389) 6.083 35.769 ( 2.490 -0.000 1.946) 3.160 36.058 ( 1.798 -0.000 6.368) 6.617 37.253 ( -19.527 0.000 20.223) 28.112 38.550 ( -0.297 0.000 -3.392) 3.405 ======================= Grid point 219 (107/114) ======================= q-point: ( 0.38 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 12.153 -10.817 -17.869) 24.166 1.673 ( 15.062 -11.721 -16.921) 25.506 1.823 ( -10.068 -7.991 -8.598) 15.465 2.082 ( -13.222 -14.674 -10.090) 22.180 2.338 ( 14.653 0.563 -19.671) 24.535 2.619 ( -0.591 3.857 9.248) 10.037 2.702 ( 9.304 7.794 -5.578) 13.358 2.815 ( 6.056 -0.253 -2.690) 6.631 3.147 ( 0.702 -0.956 12.714) 12.769 3.175 ( 1.072 1.092 3.216) 3.561 3.318 ( 3.174 -0.454 -0.987) 3.355 3.485 ( 0.609 -4.796 1.806) 5.161 3.585 ( 0.459 4.665 1.453) 4.908 3.756 ( 3.076 1.433 5.570) 6.522 3.840 ( -3.157 -1.995 0.974) 3.860 4.183 ( -5.172 1.469 2.629) 5.985 4.237 ( 1.534 1.277 10.199) 10.393 4.331 ( -5.525 0.703 5.925) 8.132 4.487 ( -1.608 -1.732 1.186) 2.645 4.568 ( -2.662 -2.278 -0.274) 3.515 4.798 ( -4.444 -0.729 -3.108) 5.472 5.073 ( -9.715 1.736 -5.026) 11.075 5.113 ( -3.920 5.199 -2.778) 7.079 5.320 ( -1.506 -2.533 -4.311) 5.222 5.386 ( 4.457 -1.563 3.894) 6.122 5.462 ( -2.028 -3.636 0.056) 4.164 5.657 ( -6.032 0.247 -2.498) 6.534 5.750 ( -1.518 0.061 -5.359) 5.570 6.083 ( 3.983 5.889 0.652) 7.139 6.212 ( -0.215 1.460 -0.104) 1.480 7.709 ( 7.481 3.282 3.169) 8.762 7.755 ( -2.521 3.408 -1.404) 4.466 7.933 ( 0.437 2.012 -0.903) 2.248 8.140 ( 3.140 -0.504 2.643) 4.134 8.777 ( -0.786 0.362 0.941) 1.279 8.908 ( -0.891 0.235 3.039) 3.176 8.954 ( 2.033 0.100 -7.067) 7.354 9.054 ( -3.227 -0.962 -4.370) 5.517 9.153 ( -2.767 -0.361 -0.865) 2.922 9.295 ( -2.967 0.441 -0.144) 3.003 9.514 ( 2.758 1.425 -3.957) 5.030 9.603 ( -0.918 -1.270 -2.984) 3.370 10.096 ( -0.715 3.504 4.921) 6.083 10.105 ( 5.714 8.126 1.356) 10.026 10.484 ( -1.493 6.850 -1.947) 7.276 10.535 ( -2.714 6.363 -1.375) 7.053 11.036 ( -1.739 -8.784 0.139) 8.956 11.205 ( -6.555 -2.782 4.423) 8.383 11.429 ( -0.006 -3.085 -4.999) 5.874 11.535 ( -1.763 -1.591 -5.770) 6.239 11.809 ( 1.562 3.667 -5.422) 6.729 11.925 ( 12.106 8.991 -2.795) 15.336 12.116 ( 7.913 0.155 0.098) 7.915 12.269 ( -5.949 0.659 -0.137) 5.987 12.299 ( -1.912 -1.797 1.937) 3.262 12.622 ( -0.633 5.595 2.979) 6.371 12.828 ( 4.559 6.344 5.899) 9.789 12.959 ( -2.286 1.710 5.047) 5.799 13.302 ( -1.747 -1.526 1.266) 2.643 13.565 ( -3.086 -5.824 -3.323) 7.381 13.703 ( 0.181 -2.360 2.468) 3.420 13.735 ( -2.391 -0.968 -5.913) 6.451 14.117 ( 9.086 3.423 6.920) 11.923 14.593 ( 0.487 -0.614 -1.698) 1.870 14.853 ( -0.129 -16.064 1.380) 16.124 15.051 ( -2.940 -14.904 5.517) 16.162 15.160 ( 0.318 -5.478 -2.052) 5.858 15.174 ( -4.068 -6.610 1.950) 8.003 15.752 ( 12.017 -4.679 0.129) 12.897 16.147 ( 0.470 3.302 -1.205) 3.546 16.341 ( -5.211 3.009 0.229) 6.022 16.407 ( -4.983 -1.794 -1.432) 5.486 16.867 ( -0.091 0.450 0.593) 0.750 16.988 ( -0.957 -3.662 0.024) 3.785 17.089 ( 1.120 -5.795 1.254) 6.034 17.394 ( -0.771 -0.527 -5.446) 5.525 19.709 ( 6.442 -3.783 1.982) 7.729 19.931 ( 2.638 3.124 1.093) 4.232 20.911 ( 2.431 10.371 -2.175) 10.872 20.965 ( -2.032 11.591 2.298) 11.990 21.952 ( -5.034 -11.714 5.605) 13.927 22.053 ( 1.158 -9.615 -7.261) 12.104 23.209 ( -3.071 5.131 3.082) 6.727 23.242 ( 1.278 4.073 -4.074) 5.900 26.939 ( 0.977 -11.063 -0.233) 11.109 27.050 ( -4.585 -20.827 3.636) 21.634 29.189 ( 5.382 20.999 4.808) 22.204 29.419 ( 0.997 13.144 -5.874) 14.432 30.140 ( 7.555 -16.873 8.634) 20.404 30.525 ( -0.594 -5.045 2.778) 5.789 30.577 ( -2.850 -3.830 2.901) 5.586 31.012 ( 5.021 -5.075 -3.488) 7.946 31.262 ( -0.398 -5.109 2.992) 5.934 31.562 ( -2.798 0.452 -10.631) 11.002 31.796 ( 4.139 13.298 -3.469) 14.352 31.908 ( 6.040 7.307 -10.886) 14.435 32.436 ( 4.583 -11.880 -2.843) 13.047 32.587 ( 4.459 -10.557 -7.210) 13.540 33.381 ( 2.065 2.709 -3.886) 5.168 33.441 ( -6.574 2.914 5.496) 9.051 35.293 ( 0.009 -1.036 2.037) 2.285 35.301 ( 1.831 0.761 -2.355) 3.079 35.478 ( 1.534 -2.927 -5.040) 6.027 35.578 ( -3.569 -2.340 2.867) 5.141 35.854 ( 1.787 -5.243 2.866) 6.237 36.080 ( -0.923 0.441 3.235) 3.393 37.212 ( -11.472 5.942 25.472) 28.561 38.290 ( -4.601 18.834 -14.856) 24.425 ======================= Grid point 220 (108/114) ======================= q-point: ( 0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.535 ( 13.740 -13.105 -4.555) 19.526 1.926 ( 2.462 -14.088 3.481) 14.719 2.139 ( 12.439 -23.886 -12.248) 29.585 2.203 ( -10.546 -15.547 -6.604) 19.913 2.338 ( 4.677 -2.555 -6.439) 8.358 2.556 ( 2.688 6.255 6.446) 9.375 2.650 ( -0.627 2.319 -5.424) 5.933 2.870 ( 2.501 -5.650 -4.075) 7.401 3.094 ( -4.378 4.495 1.479) 6.446 3.196 ( -0.635 1.797 1.099) 2.200 3.362 ( 5.012 1.437 1.348) 5.385 3.466 ( -3.379 6.493 -1.552) 7.482 3.504 ( 1.476 -0.112 -1.109) 1.849 3.781 ( 7.669 3.462 3.733) 9.205 3.905 ( -2.530 -2.922 -2.250) 4.472 4.128 ( -2.832 3.873 4.334) 6.466 4.234 ( -3.425 7.338 5.576) 9.832 4.286 ( 1.806 -0.776 7.481) 7.735 4.489 ( -4.854 1.512 0.530) 5.111 4.596 ( 0.045 -0.258 3.889) 3.897 4.745 ( -4.354 0.678 -6.577) 7.917 4.957 ( -6.795 3.702 -5.158) 9.300 5.054 ( 0.515 -3.918 1.860) 4.367 5.338 ( -5.170 -7.136 -8.070) 11.949 5.458 ( 3.756 -1.802 1.114) 4.312 5.499 ( -1.970 -0.445 2.225) 3.005 5.656 ( -0.108 -3.849 0.368) 3.868 5.750 ( 0.871 -2.935 -2.504) 3.955 6.006 ( 3.418 7.007 3.182) 8.420 6.156 ( -3.223 3.437 -0.213) 4.717 7.665 ( -0.767 2.691 1.838) 3.348 7.728 ( 1.117 1.168 0.441) 1.675 7.886 ( 4.803 3.559 1.201) 6.097 8.174 ( -0.406 0.252 -1.514) 1.588 8.777 ( 0.583 -0.738 1.018) 1.386 8.904 ( 4.046 4.439 5.168) 7.924 8.965 ( 2.507 -1.188 -4.340) 5.151 9.020 ( -3.045 0.062 -3.621) 4.731 9.126 ( -3.434 0.207 -0.529) 3.481 9.226 ( -5.538 1.486 -4.353) 7.199 9.522 ( 4.780 -0.890 0.681) 4.910 9.629 ( 0.281 -2.560 -1.595) 3.030 9.943 ( -1.620 10.725 0.890) 10.883 10.006 ( -4.156 5.270 -0.544) 6.734 10.369 ( 3.749 5.291 -3.539) 7.388 10.396 ( -1.916 6.199 1.652) 6.695 11.177 ( 0.035 -7.147 0.822) 7.194 11.259 ( -5.026 -5.830 2.880) 8.218 11.488 ( 2.342 -4.835 -3.585) 6.459 11.528 ( -1.053 -1.989 -3.428) 4.101 11.727 ( 2.774 5.459 -2.627) 6.663 11.798 ( 5.104 8.967 -3.645) 10.943 12.156 ( 2.104 -1.118 -3.761) 4.452 12.242 ( -5.187 -0.025 4.613) 6.942 12.324 ( 1.485 -0.049 2.775) 3.148 12.510 ( -0.343 3.818 -2.770) 4.729 12.796 ( 2.176 5.957 6.236) 8.895 12.911 ( -1.380 4.859 1.330) 5.224 13.375 ( 0.687 -5.173 3.002) 6.020 13.597 ( -3.600 -5.232 -1.283) 6.479 13.674 ( -1.776 1.073 -6.930) 7.234 13.742 ( -3.519 -1.354 0.175) 3.775 14.232 ( 16.147 0.751 8.413) 18.223 14.602 ( -0.470 -0.789 -2.339) 2.513 15.001 ( 0.823 -3.716 1.987) 4.294 15.225 ( -5.613 -5.221 -3.083) 8.262 15.338 ( -4.446 -11.415 7.648) 14.442 15.368 ( 1.012 -11.621 0.981) 11.707 15.904 ( 8.060 -5.560 -3.632) 10.444 16.052 ( -3.498 2.748 -1.709) 4.765 16.251 ( 2.067 4.800 0.336) 5.237 16.465 ( -9.635 -6.701 4.120) 12.438 16.899 ( 2.222 -2.052 1.302) 3.293 17.035 ( -2.798 -2.766 -0.918) 4.040 17.223 ( 3.179 -5.798 2.481) 7.062 17.382 ( -1.214 -2.213 -3.778) 4.543 19.853 ( 5.073 -6.357 0.797) 8.172 19.924 ( 1.276 -0.854 1.265) 1.990 20.696 ( 2.178 13.375 -2.999) 13.879 20.719 ( -2.754 14.822 2.256) 15.244 22.191 ( -4.587 -14.898 5.798) 16.632 22.230 ( 2.725 -12.997 -7.676) 15.338 23.083 ( -2.722 8.117 3.274) 9.165 23.124 ( 0.357 7.176 -4.134) 8.289 27.227 ( 4.013 -18.873 0.155) 19.295 27.431 ( -10.367 -24.385 3.704) 26.754 28.860 ( 4.448 23.525 5.939) 24.667 29.083 ( 0.397 20.452 -7.441) 21.767 30.520 ( 6.562 -11.427 5.770) 14.385 30.656 ( -3.065 -7.603 2.603) 8.601 30.708 ( 3.675 -9.984 12.160) 16.157 31.101 ( 3.580 -3.404 -3.617) 6.122 31.375 ( -1.427 -4.822 -1.803) 5.342 31.467 ( -4.312 2.684 -3.586) 6.218 31.572 ( 1.486 11.835 2.639) 12.216 31.752 ( 3.462 4.007 -17.784) 18.556 32.676 ( 5.803 -11.636 -2.181) 13.185 32.783 ( 0.236 -11.621 -2.146) 11.819 33.304 ( 0.063 5.472 -0.299) 5.480 33.353 ( -3.636 4.535 1.318) 5.960 35.302 ( 1.351 -0.543 -0.877) 1.699 35.327 ( -0.303 -1.643 1.400) 2.180 35.505 ( 2.755 -1.238 -2.963) 4.231 35.627 ( -3.364 -3.116 0.609) 4.626 35.989 ( 2.589 -6.654 0.797) 7.184 36.099 ( -2.880 -3.336 2.811) 5.228 37.152 ( -4.938 10.043 25.660) 27.994 37.777 ( -2.086 21.689 -22.063) 31.008 ======================= Grid point 221 (109/114) ======================= q-point: ( 0.62 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.890 ( 14.228 -10.690 9.477) 20.162 2.106 ( 2.315 -4.775 -5.670) 7.766 2.345 ( -1.533 -0.253 0.531) 1.642 2.381 ( 1.086 -1.690 -6.170) 6.489 2.491 ( 9.216 -3.472 -2.339) 10.123 2.576 ( -12.449 -5.650 5.988) 14.925 2.655 ( 10.556 -9.512 8.525) 16.571 2.986 ( -4.299 -7.600 -4.529) 9.837 3.053 ( -6.301 -5.001 -4.795) 9.365 3.135 ( -5.449 -4.916 -5.558) 9.206 3.309 ( 0.597 4.102 -1.630) 4.455 3.340 ( -1.323 0.982 -2.546) 3.033 3.524 ( 9.115 6.266 3.990) 11.759 3.739 ( -11.576 10.882 -3.294) 16.225 3.841 ( 11.283 -0.222 2.962) 11.667 4.062 ( -10.574 -0.809 -1.356) 10.691 4.155 ( 3.215 4.190 7.041) 8.801 4.318 ( -4.150 2.630 -6.780) 8.374 4.486 ( 5.766 -1.745 11.745) 13.199 4.632 ( 1.261 -3.514 -3.093) 4.848 4.676 ( 4.198 2.281 -3.311) 5.813 4.828 ( -9.000 0.354 -4.120) 9.904 5.178 ( 5.732 -2.587 7.263) 9.607 5.364 ( -6.428 -3.677 -6.817) 10.065 5.499 ( -0.644 -0.001 2.238) 2.329 5.507 ( 1.818 -1.701 -2.174) 3.305 5.741 ( 1.170 -3.149 2.789) 4.366 5.816 ( -2.035 -3.933 -3.678) 5.757 5.940 ( 4.634 4.784 4.704) 8.154 6.047 ( -4.724 4.366 -1.391) 6.581 7.658 ( 1.420 0.699 3.829) 4.144 7.712 ( -1.141 0.289 -0.983) 1.534 7.901 ( 8.255 2.492 3.555) 9.327 8.092 ( -7.070 3.095 -5.564) 9.514 8.815 ( 4.453 1.606 2.712) 5.456 8.863 ( 3.374 5.824 3.155) 7.434 8.930 ( -2.725 3.107 -0.857) 4.220 8.971 ( -0.269 1.747 -2.743) 3.264 9.111 ( -2.106 -1.747 0.224) 2.745 9.153 ( -4.747 -2.100 -5.523) 7.579 9.580 ( 4.696 0.603 0.279) 4.743 9.664 ( -3.866 -0.993 -1.175) 4.160 9.803 ( 1.727 2.089 5.129) 5.801 9.914 ( -4.254 -1.336 -4.346) 6.226 10.293 ( 0.791 4.560 3.403) 5.745 10.326 ( 2.104 2.956 -2.866) 4.624 11.283 ( 1.478 -3.080 1.565) 3.758 11.331 ( -3.286 -3.421 0.240) 4.750 11.562 ( 4.919 -0.724 -2.952) 5.782 11.573 ( 1.337 -4.433 0.339) 4.643 11.630 ( 1.119 5.544 -0.544) 5.682 11.692 ( -3.720 0.611 -1.319) 3.994 12.160 ( -0.296 -0.638 -1.176) 1.370 12.196 ( -4.628 0.805 -0.887) 4.781 12.394 ( 4.465 -2.508 3.556) 6.234 12.478 ( -1.584 -2.026 -3.135) 4.055 12.716 ( 2.283 7.319 3.609) 8.474 12.774 ( -2.176 8.315 -0.846) 8.636 13.497 ( 2.038 -3.494 3.618) 5.427 13.585 ( -3.112 0.692 -5.440) 6.305 13.718 ( 0.200 -7.198 1.722) 7.403 13.745 ( -2.075 -3.532 -1.116) 4.246 14.353 ( 14.596 4.029 4.538) 15.807 14.552 ( -6.887 3.307 -0.947) 7.699 15.115 ( 2.646 -6.296 4.811) 8.354 15.245 ( -5.386 -6.596 -6.068) 10.457 15.418 ( 2.149 2.517 3.758) 5.007 15.503 ( -3.118 -1.959 -2.844) 4.653 16.007 ( -0.289 -2.814 2.587) 3.833 16.062 ( -1.559 -7.068 -3.448) 8.017 16.258 ( 12.076 1.057 2.324) 12.343 16.463 ( -11.781 -1.426 -0.631) 11.884 16.962 ( 3.552 -1.484 1.401) 4.097 17.038 ( -4.101 -1.705 -1.340) 4.639 17.335 ( 3.699 -1.978 1.675) 4.517 17.397 ( -2.278 -1.715 -1.157) 3.077 19.990 ( 1.395 -4.364 1.764) 4.909 20.006 ( 1.285 -6.296 -0.745) 6.468 20.457 ( -2.130 12.894 2.723) 13.349 20.466 ( 1.199 11.251 -3.292) 11.784 22.449 ( -3.888 -14.013 4.826) 15.323 22.452 ( 3.410 -13.419 -5.742) 14.989 22.932 ( -0.789 9.180 2.573) 9.566 22.960 ( -0.348 8.907 -2.828) 9.352 27.639 ( 7.064 -21.939 0.817) 23.063 27.772 ( -10.187 -21.801 0.965) 24.083 28.508 ( 3.232 23.333 7.111) 24.605 28.641 ( -1.965 23.095 -9.010) 24.869 30.740 ( 3.599 -9.649 0.523) 10.311 30.793 ( -3.477 -9.503 0.674) 10.142 30.985 ( 4.101 -3.354 15.925) 16.783 31.142 ( 3.333 -0.287 -7.624) 8.326 31.292 ( 1.406 6.019 1.039) 6.268 31.355 ( -0.757 5.554 -1.851) 5.903 31.543 ( -2.450 -1.611 5.180) 5.952 31.646 ( -2.019 -1.393 -13.614) 13.833 32.884 ( 5.402 -7.396 -1.592) 9.296 32.945 ( -3.645 -7.623 0.213) 8.452 33.208 ( 0.845 5.062 2.358) 5.647 33.253 ( -1.772 3.826 -1.587) 4.505 35.329 ( 1.412 -1.314 0.568) 2.011 35.356 ( -1.030 -1.698 -0.099) 1.989 35.533 ( 4.183 0.042 -0.987) 4.298 35.611 ( -5.145 0.837 -0.463) 5.233 36.127 ( 4.640 -5.348 -1.170) 7.176 36.177 ( -4.060 -5.058 2.745) 7.043 37.089 ( 0.224 8.257 19.168) 20.871 37.328 ( -1.814 12.989 -18.657) 22.805 ======================= Grid point 222 (110/114) ======================= q-point: (-0.25 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -6.153 6.040 -6.881) 11.032 2.065 ( 6.153 6.040 6.881) 11.032 2.268 ( -2.666 9.204 -5.968) 11.289 2.268 ( 2.666 9.204 5.968) 11.289 2.591 ( -4.116 -3.223 -3.631) 6.365 2.591 ( 4.116 -3.223 3.631) 6.365 2.903 ( -7.710 -2.923 -7.534) 11.169 2.903 ( 7.710 -2.923 7.534) 11.169 3.217 ( -1.262 -6.040 -9.522) 11.346 3.217 ( 1.262 -6.040 9.522) 11.346 3.367 ( -2.817 -5.021 -2.581) 6.309 3.367 ( 2.817 -5.021 2.581) 6.309 3.482 ( -3.751 3.229 -5.663) 7.521 3.482 ( 3.751 3.229 5.663) 7.521 3.968 ( -10.506 -0.801 -5.303) 11.795 3.968 ( 10.506 -0.801 5.303) 11.795 4.207 ( -6.491 -0.944 -6.871) 9.499 4.207 ( 6.491 -0.944 6.871) 9.499 4.603 ( 0.171 0.051 -9.533) 9.535 4.603 ( -0.171 0.051 9.533) 9.535 4.785 ( -8.876 -4.967 -3.044) 10.617 4.785 ( 8.876 -4.967 3.044) 10.617 5.277 ( -8.031 1.850 -6.455) 10.468 5.277 ( 8.031 1.850 6.455) 10.468 5.527 ( 2.371 -1.429 -5.139) 5.837 5.527 ( -2.371 -1.429 5.139) 5.837 5.765 ( -0.366 3.918 -1.026) 4.066 5.765 ( 0.366 3.918 1.026) 4.066 5.974 ( -2.996 -1.548 -0.315) 3.387 5.974 ( 2.996 -1.548 0.315) 3.387 7.685 ( -2.074 0.518 -3.203) 3.851 7.685 ( 2.074 0.518 3.203) 3.851 7.941 ( -6.446 2.809 -4.854) 8.544 7.941 ( 6.446 2.809 4.854) 8.544 8.775 ( -1.439 4.530 -0.742) 4.811 8.775 ( 1.439 4.530 0.742) 4.811 8.909 ( -1.436 1.120 -2.313) 2.944 8.909 ( 1.436 1.120 2.313) 2.944 9.182 ( 0.055 -5.703 -2.521) 6.235 9.182 ( -0.055 -5.703 2.521) 6.235 9.598 ( -5.172 1.117 -1.554) 5.515 9.598 ( 5.172 1.117 1.554) 5.515 9.926 ( -5.293 -5.427 -3.775) 8.469 9.926 ( 5.293 -5.427 3.775) 8.469 10.266 ( 0.661 1.956 -6.451) 6.773 10.266 ( -0.661 1.956 6.451) 6.773 11.322 ( -2.023 0.836 -1.794) 2.830 11.322 ( 2.023 0.836 1.794) 2.830 11.535 ( 1.906 3.567 -2.773) 4.904 11.535 ( -1.906 3.567 2.773) 4.904 11.710 ( -4.603 -4.949 -2.755) 7.299 11.710 ( 4.603 -4.949 2.755) 7.299 12.162 ( 0.093 0.441 -0.964) 1.064 12.162 ( -0.093 0.441 0.964) 1.064 12.478 ( -1.449 -0.305 -3.173) 3.502 12.478 ( 1.449 -0.305 3.173) 3.502 12.660 ( 2.872 0.072 -3.265) 4.349 12.660 ( -2.872 0.072 3.265) 4.349 13.514 ( -4.335 3.359 -0.062) 5.485 13.514 ( 4.335 3.359 0.062) 5.485 13.867 ( 1.478 -8.822 -5.112) 10.303 13.867 ( -1.478 -8.822 5.112) 10.303 14.368 ( -8.144 6.774 -6.237) 12.293 14.368 ( 8.144 6.774 6.237) 12.293 15.309 ( -4.374 -6.702 -5.798) 9.883 15.309 ( 4.374 -6.702 5.798) 9.883 15.398 ( -6.121 3.520 -3.738) 7.989 15.398 ( 6.121 3.520 3.738) 7.989 16.055 ( -7.315 3.998 -2.922) 8.833 16.055 ( 7.315 3.998 2.922) 8.833 16.401 ( -7.396 -4.371 -7.993) 11.734 16.401 ( 7.396 -4.371 7.993) 11.734 17.016 ( -4.890 0.024 -0.756) 4.949 17.016 ( 4.890 0.024 0.756) 4.949 17.375 ( -3.279 0.902 -1.109) 3.577 17.375 ( 3.279 0.902 1.109) 3.577 20.012 ( -0.901 6.625 -1.000) 6.760 20.012 ( 0.901 6.625 1.000) 6.760 20.365 ( 0.205 -3.605 -0.768) 3.691 20.365 ( -0.205 -3.605 0.768) 3.691 22.641 ( 1.375 -3.630 -2.723) 4.742 22.641 ( -1.375 -3.630 2.723) 4.742 22.808 ( -1.416 2.145 -1.365) 2.910 22.808 ( 1.416 2.145 1.365) 2.910 28.012 ( 0.377 -0.318 -4.582) 4.609 28.012 ( -0.377 -0.318 4.582) 4.609 28.237 ( -0.612 1.750 -3.655) 4.098 28.237 ( 0.612 1.750 3.655) 4.098 30.886 ( -0.086 0.660 -0.781) 1.026 30.886 ( 0.086 0.660 0.781) 1.026 31.069 ( -2.610 -3.384 -3.061) 5.256 31.069 ( 2.610 -3.384 3.061) 5.256 31.284 ( -0.507 2.461 -3.455) 4.272 31.284 ( 0.507 2.461 3.455) 4.272 31.597 ( 4.379 -1.487 -12.158) 13.008 31.597 ( -4.379 -1.487 12.158) 13.008 32.948 ( 1.953 4.042 -2.239) 5.016 32.948 ( -1.953 4.042 2.239) 5.016 33.221 ( 3.823 -3.664 -1.546) 5.516 33.221 ( -3.823 -3.664 1.546) 5.516 35.366 ( -0.756 -0.670 -1.422) 1.745 35.366 ( 0.756 -0.670 1.422) 1.745 35.551 ( -0.849 0.927 -1.283) 1.797 35.551 ( 0.849 0.927 1.283) 1.797 36.188 ( 1.309 2.393 -6.057) 6.643 36.188 ( -1.309 2.393 6.057) 6.643 37.129 ( -8.218 -2.574 -5.379) 10.153 37.129 ( 8.218 -2.574 5.379) 10.153 ======================= Grid point 228 (111/114) ======================= q-point: ( 0.38 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( 15.978 -0.000 -14.878) 21.832 1.480 ( 14.370 -0.000 -27.205) 30.767 1.693 ( -17.587 0.000 -8.042) 19.338 1.712 ( -14.966 0.000 -4.465) 15.618 2.394 ( 23.443 -0.000 -17.049) 28.987 2.681 ( -1.708 0.000 3.675) 4.052 2.825 ( -2.338 0.000 2.601) 3.498 2.843 ( 3.816 -0.000 -1.897) 4.261 3.220 ( 3.292 -0.000 7.300) 8.008 3.242 ( 1.838 -0.000 4.986) 5.314 3.363 ( 7.770 -0.000 3.527) 8.534 3.469 ( 4.920 -0.000 4.555) 6.705 3.657 ( 1.851 -0.000 -0.078) 1.853 3.761 ( -7.872 0.000 0.252) 7.876 3.844 ( 4.591 -0.000 7.003) 8.373 4.143 ( -8.347 0.000 2.830) 8.814 4.340 ( 7.312 -0.000 10.760) 13.010 4.359 ( -2.248 0.000 8.819) 9.101 4.459 ( -2.586 0.000 -0.945) 2.753 4.511 ( -1.257 0.000 0.225) 1.277 4.725 ( -4.469 0.000 -8.569) 9.664 4.935 ( -13.666 0.000 -8.061) 15.866 5.119 ( -4.709 0.000 -3.553) 5.899 5.238 ( -5.524 0.000 -5.977) 8.139 5.425 ( 0.851 -0.000 4.341) 4.424 5.478 ( 6.267 -0.000 3.588) 7.221 5.603 ( -3.521 0.000 -0.558) 3.565 5.708 ( -1.435 0.000 -4.679) 4.894 6.158 ( 3.342 -0.000 -1.411) 3.627 6.217 ( -1.231 0.000 -1.140) 1.677 7.758 ( -0.492 0.000 -1.559) 1.635 7.761 ( -6.226 0.000 -0.863) 6.285 7.995 ( 8.859 -0.000 1.534) 8.990 8.161 ( -0.143 0.000 3.466) 3.469 8.787 ( 0.538 -0.000 -2.191) 2.257 8.839 ( -7.066 0.000 -0.804) 7.111 8.933 ( 4.005 -0.000 -7.106) 8.157 9.033 ( -3.938 0.000 1.980) 4.408 9.136 ( 2.483 -0.000 -1.985) 3.179 9.294 ( -1.965 0.000 -0.319) 1.991 9.526 ( 4.378 -0.000 -5.482) 7.016 9.558 ( -3.092 0.000 0.510) 3.134 10.159 ( -0.244 0.000 4.649) 4.655 10.249 ( 4.629 -0.000 0.950) 4.726 10.510 ( -10.268 0.000 0.525) 10.282 10.556 ( 1.078 -0.000 -4.420) 4.550 10.938 ( 3.346 -0.000 -1.084) 3.517 11.142 ( -9.342 0.000 3.254) 9.893 11.369 ( -0.260 0.000 -2.569) 2.582 11.471 ( -1.199 0.000 -6.435) 6.546 11.837 ( 3.780 -0.000 -1.304) 3.999 12.074 ( 6.368 -0.000 -11.482) 13.129 12.193 ( 9.469 -0.000 -0.096) 9.469 12.249 ( -2.105 0.000 8.691) 8.942 12.319 ( 2.371 -0.000 5.331) 5.835 12.673 ( -5.747 0.000 5.349) 7.851 12.962 ( 0.149 -0.000 -1.150) 1.159 12.976 ( -3.133 0.000 3.638) 4.801 13.291 ( -0.665 0.000 -0.171) 0.687 13.407 ( -5.017 0.000 -3.725) 6.249 13.674 ( -1.160 0.000 0.768) 1.391 13.703 ( -0.064 0.000 -3.652) 3.652 14.379 ( 20.446 -0.000 19.959) 28.572 14.603 ( 0.073 -0.000 2.645) 2.646 14.616 ( 0.112 -0.000 -1.673) 1.677 14.948 ( 1.314 -0.000 2.267) 2.621 15.083 ( -5.035 0.000 1.749) 5.331 15.090 ( 1.068 -0.000 -6.604) 6.689 15.808 ( 11.502 -0.000 2.978) 11.881 16.166 ( -2.800 0.000 -4.180) 5.031 16.333 ( -5.058 0.000 0.124) 5.059 16.342 ( -2.344 0.000 -3.415) 4.142 16.888 ( 0.022 -0.000 0.839) 0.840 16.935 ( -1.332 0.000 -0.886) 1.599 17.056 ( 3.012 -0.000 3.970) 4.984 17.334 ( -3.127 0.000 -7.598) 8.216 19.744 ( 6.793 -0.000 3.295) 7.550 19.966 ( -1.239 0.000 -1.609) 2.031 21.027 ( 2.784 -0.000 -1.299) 3.072 21.078 ( -2.255 0.000 1.774) 2.869 21.832 ( -4.711 0.000 6.915) 8.367 21.922 ( 1.344 -0.000 -8.308) 8.416 23.248 ( -2.947 0.000 2.775) 4.048 23.264 ( 1.176 -0.000 -4.572) 4.721 26.843 ( 0.029 -0.000 0.134) 0.137 26.843 ( 0.017 0.000 0.142) 0.143 29.477 ( 1.103 -0.000 -0.616) 1.263 29.497 ( -0.033 0.000 -2.850) 2.851 30.161 ( 16.800 -0.000 28.944) 33.466 30.489 ( 0.854 -0.000 1.430) 1.666 30.538 ( -2.395 0.000 2.004) 3.123 30.977 ( 6.582 -0.000 -8.383) 10.658 31.221 ( -1.204 0.000 1.608) 2.009 31.440 ( -4.632 0.000 -18.024) 18.610 31.973 ( 6.435 -0.000 -6.290) 8.998 31.996 ( 0.364 -0.000 -0.035) 0.366 32.309 ( 2.503 -0.000 0.087) 2.504 32.446 ( 3.936 -0.000 -11.492) 12.147 33.403 ( 3.311 -0.000 -4.386) 5.496 33.448 ( -6.881 0.000 5.759) 8.973 35.300 ( -0.245 0.000 3.312) 3.321 35.315 ( 3.033 -0.000 -3.675) 4.765 35.433 ( 2.089 -0.000 -3.248) 3.862 35.528 ( -6.451 0.000 2.568) 6.943 35.854 ( 5.225 -0.000 2.463) 5.776 36.073 ( -4.415 0.000 0.370) 4.430 37.376 ( -3.274 0.000 31.482) 31.652 38.292 ( -12.565 0.000 -21.720) 25.093 ======================= Grid point 229 (112/114) ======================= q-point: ( 0.50 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.386 ( 16.098 -12.243 -3.714) 20.563 1.636 ( 3.403 -17.856 -17.554) 25.270 1.682 ( -8.243 -15.386 6.252) 18.541 1.722 ( -11.207 -17.951 -9.222) 23.085 2.456 ( 20.423 3.829 -9.674) 22.921 2.633 ( -10.657 3.114 5.574) 12.423 2.766 ( 2.855 5.583 2.149) 6.629 2.823 ( -0.383 1.748 -2.642) 3.191 3.214 ( 1.541 5.406 0.925) 5.697 3.241 ( -1.413 2.766 1.467) 3.435 3.485 ( 9.095 3.499 4.926) 10.919 3.512 ( 6.331 -2.025 2.453) 7.085 3.556 ( -4.373 6.714 0.582) 8.033 3.753 ( -8.292 -4.741 -3.890) 10.314 3.932 ( 9.930 0.682 4.195) 10.802 4.104 ( -9.887 -0.978 1.922) 10.120 4.352 ( -2.517 4.216 7.800) 9.217 4.381 ( 6.962 3.131 -4.195) 8.710 4.495 ( -0.507 -0.325 9.386) 9.405 4.600 ( 2.599 -4.136 7.180) 8.684 4.659 ( -3.168 -2.586 -8.018) 9.001 4.839 ( -10.960 -5.175 -8.388) 14.739 5.034 ( 0.023 2.898 0.129) 2.901 5.150 ( -6.623 -1.051 -8.824) 11.083 5.474 ( -0.038 -0.610 6.427) 6.456 5.506 ( 2.990 0.570 -2.554) 3.974 5.623 ( 1.297 -2.279 2.841) 3.866 5.696 ( -1.005 -1.935 -3.293) 3.950 6.138 ( 2.682 3.806 0.270) 4.664 6.181 ( -2.247 2.117 -0.993) 3.242 7.692 ( -2.228 1.933 0.186) 2.956 7.724 ( -3.157 0.653 -2.405) 4.022 8.038 ( 8.896 3.733 3.950) 10.425 8.165 ( -2.606 0.709 -1.010) 2.884 8.771 ( 0.338 -1.282 1.536) 2.029 8.847 ( -3.808 -4.922 -5.194) 8.106 8.960 ( 5.135 -1.826 -2.872) 6.161 9.014 ( -4.131 0.007 2.878) 5.035 9.137 ( 3.611 2.618 0.449) 4.483 9.232 ( -4.089 3.440 -2.606) 5.945 9.537 ( 3.695 -0.945 -1.057) 3.958 9.573 ( -1.583 -2.450 0.084) 2.918 10.114 ( -1.152 7.279 2.154) 7.678 10.138 ( -0.853 11.035 -1.495) 11.169 10.448 ( -0.638 2.940 1.983) 3.604 10.486 ( -0.673 4.797 -3.153) 5.780 11.046 ( 4.319 -7.550 -0.885) 8.743 11.129 ( -7.871 -4.922 2.112) 9.521 11.404 ( 1.153 -3.771 0.236) 3.950 11.455 ( -1.264 -2.570 -4.587) 5.408 11.841 ( 4.888 4.046 1.515) 6.524 11.953 ( -1.071 7.158 -7.621) 10.510 12.207 ( 7.054 4.056 -2.519) 8.518 12.250 ( -4.365 2.640 6.051) 7.914 12.386 ( 6.918 1.315 6.341) 9.476 12.564 ( -6.931 5.634 -3.423) 9.566 12.922 ( 2.003 3.021 2.956) 4.677 12.963 ( -1.538 1.562 0.481) 2.244 13.316 ( 1.747 -3.745 2.295) 4.727 13.418 ( -6.172 -5.900 -5.049) 9.919 13.682 ( 1.306 0.591 -1.992) 2.454 13.698 ( -2.157 -1.340 0.849) 2.678 14.442 ( 11.288 5.709 7.707) 14.813 14.569 ( -1.652 1.001 -1.951) 2.745 14.938 ( 7.132 -11.948 5.465) 14.950 15.071 ( -3.716 -12.623 4.921) 14.049 15.100 ( -3.822 -4.307 0.917) 5.831 15.148 ( -0.841 -11.149 -5.025) 12.258 15.921 ( 8.611 -0.733 2.031) 8.878 16.063 ( -5.324 3.356 -4.555) 7.769 16.302 ( -0.572 0.371 0.846) 1.086 16.336 ( -3.439 -2.600 -0.349) 4.326 16.900 ( 2.525 -0.984 1.462) 3.079 16.955 ( -2.323 -3.039 -1.084) 3.976 17.161 ( 3.434 -5.146 4.782) 7.819 17.286 ( -3.561 -2.788 -6.947) 8.289 19.830 ( 5.468 -2.034 2.926) 6.527 19.923 ( -2.399 0.710 -2.247) 3.363 20.929 ( 2.850 11.224 -1.797) 11.719 20.952 ( -2.705 11.657 1.869) 12.112 21.955 ( -4.224 -11.362 7.416) 14.210 21.991 ( 2.735 -10.442 -8.454) 13.711 23.197 ( -2.791 4.910 3.332) 6.558 23.208 ( 1.421 4.411 -4.440) 6.418 26.963 ( 2.370 -13.086 -0.077) 13.299 27.006 ( -3.927 -16.742 0.903) 17.220 29.295 ( 2.143 17.524 3.723) 18.042 29.360 ( -0.688 14.001 -4.643) 14.767 30.479 ( 6.582 -3.362 9.152) 11.764 30.551 ( -2.887 -3.041 1.445) 4.435 30.649 ( 7.568 -11.210 22.418) 26.182 30.997 ( 2.643 -5.329 -16.116) 17.179 31.265 ( -0.678 -4.754 0.402) 4.819 31.344 ( -5.494 -3.850 -11.920) 13.678 31.824 ( 1.716 13.175 0.839) 13.313 31.865 ( 1.316 11.409 -5.795) 12.864 32.486 ( 3.232 -12.759 1.029) 13.203 32.548 ( 0.247 -12.221 -5.504) 13.405 33.380 ( 3.326 2.908 -3.510) 5.643 33.403 ( -5.331 2.926 4.185) 7.382 35.307 ( 2.389 0.502 -2.165) 3.263 35.314 ( -1.489 -0.162 2.472) 2.891 35.476 ( 4.788 -3.214 -3.414) 6.701 35.532 ( -6.091 -3.792 2.563) 7.619 35.936 ( 5.237 -3.013 1.900) 6.334 36.037 ( -5.463 -1.102 -0.639) 5.610 37.479 ( 2.184 8.802 32.136) 33.391 37.922 ( -8.987 13.859 -28.382) 32.838 ======================= Grid point 230 (113/114) ======================= q-point: ( 0.62 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -14.041 -16.419 -7.202) 22.772 1.780 ( 14.041 -16.419 7.202) 22.772 2.112 ( 2.190 -26.735 -10.573) 28.833 2.112 ( -2.190 -26.735 10.573) 28.833 2.479 ( -15.733 4.178 2.681) 16.498 2.479 ( 15.733 4.178 -2.681) 16.498 2.769 ( -8.152 -0.754 -4.950) 9.567 2.769 ( 8.152 -0.754 4.950) 9.567 3.119 ( -1.740 7.234 -4.763) 8.834 3.119 ( 1.740 7.234 4.763) 8.834 3.404 ( -1.254 6.340 -0.714) 6.503 3.404 ( 1.254 6.340 0.714) 6.503 3.696 ( -12.972 -0.910 -5.805) 14.241 3.696 ( 12.972 -0.910 5.805) 14.241 3.995 ( -12.240 3.579 -0.894) 12.784 3.995 ( 12.240 3.579 0.894) 12.784 4.312 ( -2.164 4.121 -7.164) 8.544 4.312 ( 2.164 4.121 7.164) 8.544 4.551 ( -3.639 0.007 -8.137) 8.914 4.551 ( 3.639 0.007 8.137) 8.914 4.762 ( -9.117 0.858 -4.774) 10.327 4.762 ( 9.117 0.858 4.774) 10.327 5.146 ( -5.037 -8.289 -7.797) 12.444 5.146 ( 5.037 -8.289 7.797) 12.444 5.500 ( 3.143 -0.210 -5.041) 5.944 5.500 ( -3.143 -0.210 5.041) 5.944 5.711 ( -1.955 -3.487 -3.955) 5.623 5.711 ( 1.955 -3.487 3.955) 5.623 6.088 ( -1.728 4.990 -3.951) 6.595 6.088 ( 1.728 4.990 3.951) 6.595 7.684 ( -1.708 -0.003 -2.348) 2.904 7.684 ( 1.708 -0.003 2.348) 2.904 8.063 ( -8.437 3.701 -5.183) 10.571 8.063 ( 8.437 3.701 5.183) 10.571 8.861 ( -2.575 -2.996 -7.109) 8.133 8.861 ( 2.575 -2.996 7.109) 8.133 8.998 ( 2.212 1.408 -3.067) 4.035 8.998 ( -2.212 1.408 3.067) 4.035 9.110 ( -2.575 3.104 -2.601) 4.799 9.110 ( 2.575 3.104 2.601) 4.799 9.602 ( -0.136 -2.603 -3.181) 4.112 9.602 ( 0.136 -2.603 3.181) 4.112 9.939 ( 0.374 9.410 -3.274) 9.970 9.939 ( -0.374 9.410 3.274) 9.970 10.389 ( 2.460 4.466 -2.233) 5.566 10.389 ( -2.460 4.466 2.233) 5.566 11.211 ( 0.027 -7.206 -1.425) 7.346 11.211 ( -0.027 -7.206 1.425) 7.346 11.493 ( 0.886 -4.513 -1.900) 4.976 11.493 ( -0.886 -4.513 1.900) 4.976 11.772 ( -0.872 7.845 -3.755) 8.741 11.772 ( 0.872 7.845 3.755) 8.741 12.180 ( 3.825 2.084 -1.417) 4.580 12.180 ( -3.825 2.084 1.417) 4.580 12.433 ( -4.009 1.152 -4.501) 6.136 12.433 ( 4.009 1.152 4.501) 6.136 12.880 ( -1.391 6.013 -3.069) 6.893 12.880 ( 1.391 6.013 3.069) 6.893 13.459 ( -4.664 -6.183 -4.761) 9.091 13.459 ( 4.664 -6.183 4.761) 9.091 13.685 ( 0.171 -0.203 -2.269) 2.285 13.685 ( -0.171 -0.203 2.269) 2.285 14.508 ( -8.496 0.471 -4.445) 9.600 14.508 ( 8.496 0.471 4.445) 9.600 15.092 ( -4.462 -2.943 -5.497) 7.667 15.092 ( 4.462 -2.943 5.497) 7.667 15.362 ( 2.263 -12.038 -5.126) 13.278 15.362 ( -2.263 -12.038 5.126) 13.278 15.972 ( 6.273 -0.143 -2.419) 6.725 15.972 ( -6.273 -0.143 2.419) 6.725 16.346 ( -6.893 -1.936 -0.232) 7.164 16.346 ( 6.893 -1.936 0.232) 7.164 16.967 ( -3.686 -2.054 -1.823) 4.597 16.967 ( 3.686 -2.054 1.823) 4.597 17.307 ( -2.319 -4.921 -4.193) 6.868 17.307 ( 2.319 -4.921 4.193) 6.868 19.919 ( -2.399 -3.610 -0.320) 4.346 19.919 ( 2.399 -3.610 0.320) 4.346 20.703 ( 2.848 14.503 -2.909) 15.064 20.703 ( -2.848 14.503 2.909) 15.064 22.197 ( 4.057 -14.189 -7.180) 16.411 22.197 ( -4.057 -14.189 7.180) 16.411 23.089 ( 2.611 7.446 -5.076) 9.383 23.089 ( -2.611 7.446 5.076) 9.383 27.313 ( -7.324 -21.412 0.275) 22.632 27.313 ( 7.324 -21.412 -0.275) 22.632 28.984 ( -2.424 22.332 -6.846) 23.484 28.984 ( 2.424 22.332 6.846) 23.484 30.616 ( -3.562 -7.110 -0.048) 7.952 30.616 ( 3.562 -7.110 0.048) 7.952 31.010 ( -2.810 -7.584 -20.029) 21.600 31.010 ( 2.810 -7.584 20.029) 21.600 31.350 ( 1.213 -2.567 -2.724) 3.935 31.350 ( -1.213 -2.567 2.724) 3.935 31.638 ( 0.836 9.178 -8.119) 12.283 31.638 ( -0.836 9.178 8.119) 12.283 32.740 ( -0.492 -11.867 -2.556) 12.149 32.740 ( 0.492 -11.867 2.556) 12.149 33.317 ( 3.039 4.917 -4.373) 7.248 33.317 ( -3.039 4.917 4.373) 7.248 35.319 ( 0.430 -1.004 -0.836) 1.376 35.319 ( -0.430 -1.004 0.836) 1.376 35.556 ( 0.851 -2.102 -3.679) 4.322 35.556 ( -0.851 -2.102 3.679) 4.322 36.052 ( -0.142 -5.294 -2.207) 5.738 36.052 ( 0.142 -5.294 2.207) 5.738 37.448 ( -2.219 15.299 -27.881) 31.880 37.448 ( 2.219 15.299 27.881) 31.880 ======================= Grid point 239 (114/114) ======================= q-point: (-0.50 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 4.65e-08 4.65e-08 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.361 ( -16.239 0.000 -0.195) 16.240 1.361 ( 16.239 -0.000 0.195) 16.240 1.506 ( 13.608 -0.000 -8.449) 16.017 1.506 ( -13.608 0.000 8.449) 16.017 2.590 ( 17.225 -0.000 -7.220) 18.677 2.590 ( -17.225 0.000 7.220) 18.677 2.844 ( 1.010 -0.000 -3.769) 3.902 2.844 ( -1.010 0.000 3.769) 3.902 3.269 ( 2.420 -0.000 -2.025) 3.155 3.269 ( -2.420 0.000 2.025) 3.155 3.574 ( -6.590 0.000 -6.313) 9.126 3.574 ( 6.590 -0.000 6.313) 9.126 3.611 ( -6.333 0.000 -3.160) 7.078 3.611 ( 6.333 -0.000 3.160) 7.078 4.022 ( -9.176 0.000 -1.544) 9.305 4.022 ( 9.176 -0.000 1.544) 9.305 4.409 ( 3.151 -0.000 -6.386) 7.121 4.409 ( -3.151 0.000 6.386) 7.121 4.559 ( -1.471 0.000 -8.206) 8.336 4.559 ( 1.471 -0.000 8.206) 8.336 4.643 ( -11.452 0.000 -10.415) 15.480 4.643 ( 11.452 -0.000 10.415) 15.480 5.089 ( -3.159 0.000 -3.136) 4.451 5.089 ( 3.159 -0.000 3.136) 4.451 5.505 ( 1.300 -0.000 -5.971) 6.111 5.505 ( -1.300 0.000 5.971) 6.111 5.634 ( -2.990 0.000 -4.317) 5.251 5.634 ( 2.990 -0.000 4.317) 5.251 6.185 ( 2.596 -0.000 -1.348) 2.925 6.185 ( -2.596 0.000 1.348) 2.925 7.705 ( 0.473 -0.000 -2.348) 2.396 7.705 ( -0.473 0.000 2.348) 2.396 8.141 ( -5.271 0.000 -1.585) 5.504 8.141 ( 5.271 -0.000 1.585) 5.504 8.763 ( 2.511 -0.000 -3.052) 3.952 8.763 ( -2.511 0.000 3.052) 3.952 8.974 ( 6.247 -0.000 -2.109) 6.594 8.974 ( -6.247 0.000 2.109) 6.594 9.216 ( -5.269 0.000 -2.431) 5.803 9.216 ( 5.269 -0.000 2.431) 5.803 9.541 ( 3.864 -0.000 -3.792) 5.414 9.541 ( -3.864 0.000 3.792) 5.414 10.215 ( -2.133 0.000 -4.094) 4.617 10.215 ( 2.133 -0.000 4.094) 4.617 10.499 ( -0.719 0.000 -5.176) 5.226 10.499 ( 0.719 -0.000 5.176) 5.226 11.020 ( -8.279 0.000 0.740) 8.312 11.020 ( 8.279 -0.000 -0.740) 8.312 11.392 ( -1.154 0.000 -4.125) 4.284 11.392 ( 1.154 -0.000 4.125) 4.284 11.941 ( -5.311 0.000 -5.890) 7.931 11.941 ( 5.311 -0.000 5.890) 7.931 12.287 ( 5.263 -0.000 -4.341) 6.822 12.287 ( -5.263 0.000 4.341) 6.822 12.522 ( -11.357 0.000 -5.783) 12.745 12.522 ( 11.357 -0.000 5.783) 12.745 12.960 ( 1.721 -0.000 -0.950) 1.965 12.960 ( -1.721 0.000 0.950) 1.965 13.310 ( -2.322 0.000 -1.836) 2.960 13.310 ( 2.322 -0.000 1.836) 2.960 13.679 ( 0.182 -0.000 -1.551) 1.562 13.679 ( -0.182 0.000 1.551) 1.562 14.595 ( -0.262 0.000 -1.925) 1.943 14.595 ( 0.262 -0.000 1.925) 1.943 14.871 ( -10.586 0.000 -10.868) 15.172 14.871 ( 10.586 -0.000 10.868) 15.172 15.045 ( 3.327 -0.000 -3.708) 4.982 15.045 ( -3.327 0.000 3.708) 4.982 16.008 ( -7.095 0.000 -7.609) 10.404 16.008 ( 7.095 -0.000 7.609) 10.404 16.303 ( 0.233 -0.000 -1.508) 1.526 16.303 ( -0.233 0.000 1.508) 1.526 16.907 ( -1.065 0.000 -0.872) 1.376 16.907 ( 1.065 -0.000 0.872) 1.376 17.182 ( -4.735 0.000 -7.369) 8.759 17.182 ( 4.735 -0.000 7.369) 8.759 19.879 ( -5.210 0.000 -3.975) 6.553 19.879 ( 5.210 -0.000 3.975) 6.553 21.056 ( 2.855 -0.000 -1.331) 3.150 21.056 ( -2.855 0.000 1.331) 3.150 21.859 ( 3.230 -0.000 -8.591) 9.178 21.859 ( -3.230 0.000 8.591) 9.178 23.242 ( 2.275 -0.000 -3.609) 4.266 23.242 ( -2.275 0.000 3.609) 4.266 26.844 ( 0.052 -0.000 -0.121) 0.132 26.844 ( -0.052 0.000 0.121) 0.132 29.475 ( -0.239 0.000 -0.281) 0.369 29.475 ( 0.239 -0.000 0.281) 0.369 30.517 ( -2.048 0.000 0.578) 2.128 30.517 ( 2.048 -0.000 -0.578) 2.128 30.772 ( -6.821 0.000 -35.065) 35.723 30.772 ( 6.821 -0.000 35.065) 35.723 31.231 ( -1.764 0.000 -3.358) 3.793 31.231 ( 1.764 -0.000 3.358) 3.793 31.992 ( 2.570 -0.000 -2.409) 3.523 31.992 ( -2.570 0.000 2.409) 3.523 32.368 ( -0.645 0.000 -5.902) 5.937 32.368 ( 0.645 -0.000 5.902) 5.937 33.415 ( 5.114 -0.000 -4.763) 6.988 33.415 ( -5.114 0.000 4.763) 6.988 35.319 ( 2.569 -0.000 -3.684) 4.491 35.319 ( -2.569 0.000 3.684) 4.491 35.460 ( 5.660 -0.000 -2.471) 6.176 35.460 ( -5.660 0.000 2.471) 6.176 35.972 ( -6.600 0.000 -2.007) 6.898 35.972 ( 6.600 -0.000 2.007) 6.898 37.797 ( -9.019 0.000 -32.852) 34.068 37.797 ( 9.019 -0.000 32.852) 34.068 =================== 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 10.0 332.283 283.146 326.539 -0.000 134.019 -0.000 3/41472 20.0 51.349 56.151 53.400 -0.000 15.344 -0.000 3/41472 30.0 20.995 23.839 22.210 -0.000 5.570 -0.000 3/41472 40.0 12.325 14.046 13.193 -0.000 3.076 -0.000 3/41472 50.0 8.589 9.709 9.253 -0.000 2.078 -0.000 3/41472 60.0 6.580 7.354 7.108 -0.000 1.568 -0.000 3/41472 70.0 5.336 5.901 5.770 -0.000 1.261 -0.000 3/41472 80.0 4.492 4.923 4.857 -0.000 1.057 -0.000 3/41472 90.0 3.882 4.225 4.194 -0.000 0.911 -0.000 3/41472 100.0 3.421 3.704 3.692 -0.000 0.801 -0.000 3/41472 110.0 3.062 3.303 3.299 -0.000 0.716 -0.000 3/41472 120.0 2.775 2.985 2.983 -0.000 0.647 -0.000 3/41472 130.0 2.539 2.728 2.725 -0.000 0.592 -0.000 3/41472 140.0 2.344 2.518 2.509 -0.000 0.545 -0.000 3/41472 150.0 2.179 2.342 2.327 -0.000 0.506 -0.000 3/41472 160.0 2.038 2.195 2.172 -0.000 0.473 -0.000 3/41472 170.0 1.916 2.069 2.037 -0.000 0.443 -0.000 3/41472 180.0 1.810 1.961 1.920 -0.000 0.418 -0.000 3/41472 190.0 1.717 1.868 1.817 -0.000 0.395 -0.000 3/41472 200.0 1.634 1.787 1.726 -0.000 0.375 -0.000 3/41472 210.0 1.560 1.716 1.645 -0.000 0.356 -0.000 3/41472 220.0 1.495 1.653 1.573 -0.000 0.340 -0.000 3/41472 230.0 1.435 1.597 1.508 -0.000 0.324 -0.000 3/41472 240.0 1.382 1.548 1.450 -0.000 0.310 -0.000 3/41472 250.0 1.333 1.503 1.397 -0.000 0.297 -0.000 3/41472 260.0 1.289 1.463 1.349 -0.000 0.285 -0.000 3/41472 270.0 1.248 1.426 1.305 -0.000 0.274 -0.000 3/41472 280.0 1.211 1.392 1.264 -0.000 0.263 -0.000 3/41472 290.0 1.177 1.362 1.227 -0.000 0.253 -0.000 3/41472 300.0 1.145 1.333 1.193 -0.000 0.244 -0.000 3/41472 310.0 1.115 1.307 1.162 -0.000 0.235 -0.000 3/41472 320.0 1.088 1.282 1.132 -0.000 0.226 -0.000 3/41472 330.0 1.062 1.259 1.105 -0.000 0.218 -0.000 3/41472 340.0 1.038 1.237 1.080 -0.000 0.211 -0.000 3/41472 350.0 1.015 1.217 1.056 -0.000 0.204 -0.000 3/41472 360.0 0.994 1.197 1.033 -0.000 0.197 -0.000 3/41472 370.0 0.974 1.179 1.012 -0.000 0.191 -0.000 3/41472 380.0 0.955 1.161 0.992 -0.000 0.184 -0.000 3/41472 390.0 0.936 1.144 0.973 -0.000 0.179 -0.000 3/41472 400.0 0.919 1.127 0.955 -0.000 0.173 -0.000 3/41472 410.0 0.903 1.111 0.937 -0.000 0.168 -0.000 3/41472 420.0 0.887 1.096 0.921 -0.000 0.163 -0.000 3/41472 430.0 0.872 1.081 0.905 -0.000 0.158 -0.000 3/41472 440.0 0.857 1.067 0.890 -0.000 0.153 -0.000 3/41472 450.0 0.843 1.053 0.876 -0.000 0.149 -0.000 3/41472 460.0 0.830 1.039 0.862 -0.000 0.145 -0.000 3/41472 470.0 0.817 1.026 0.848 -0.000 0.141 -0.000 3/41472 480.0 0.804 1.013 0.836 -0.000 0.137 -0.000 3/41472 490.0 0.792 1.000 0.823 -0.000 0.133 -0.000 3/41472 500.0 0.781 0.988 0.811 -0.000 0.130 -0.000 3/41472 510.0 0.769 0.976 0.799 -0.000 0.126 -0.000 3/41472 520.0 0.758 0.964 0.788 -0.000 0.123 -0.000 3/41472 530.0 0.748 0.952 0.777 -0.000 0.120 -0.000 3/41472 540.0 0.737 0.941 0.767 -0.000 0.117 -0.000 3/41472 550.0 0.727 0.930 0.756 -0.000 0.114 -0.000 3/41472 560.0 0.718 0.919 0.746 -0.000 0.112 -0.000 3/41472 570.0 0.708 0.909 0.736 -0.000 0.109 -0.000 3/41472 580.0 0.699 0.898 0.727 -0.000 0.107 -0.000 3/41472 590.0 0.690 0.888 0.718 -0.000 0.104 -0.000 3/41472 600.0 0.681 0.878 0.709 -0.000 0.102 -0.000 3/41472 610.0 0.672 0.868 0.700 -0.000 0.100 -0.000 3/41472 620.0 0.664 0.858 0.691 -0.000 0.098 -0.000 3/41472 630.0 0.656 0.849 0.683 -0.000 0.095 -0.000 3/41472 640.0 0.648 0.840 0.675 -0.000 0.093 -0.000 3/41472 650.0 0.640 0.831 0.667 -0.000 0.092 -0.000 3/41472 660.0 0.633 0.822 0.659 -0.000 0.090 -0.000 3/41472 670.0 0.625 0.813 0.651 -0.000 0.088 -0.000 3/41472 680.0 0.618 0.804 0.644 -0.000 0.086 -0.000 3/41472 690.0 0.611 0.796 0.636 -0.000 0.085 -0.000 3/41472 700.0 0.604 0.787 0.629 -0.000 0.083 -0.000 3/41472 710.0 0.597 0.779 0.622 -0.000 0.081 -0.000 3/41472 720.0 0.591 0.771 0.615 -0.000 0.080 -0.000 3/41472 730.0 0.584 0.763 0.609 -0.000 0.078 -0.000 3/41472 740.0 0.578 0.756 0.602 -0.000 0.077 -0.000 3/41472 750.0 0.571 0.748 0.596 -0.000 0.076 -0.000 3/41472 760.0 0.565 0.741 0.589 -0.000 0.074 -0.000 3/41472 770.0 0.559 0.733 0.583 -0.000 0.073 -0.000 3/41472 780.0 0.553 0.726 0.577 -0.000 0.072 -0.000 3/41472 790.0 0.548 0.719 0.571 -0.000 0.071 -0.000 3/41472 800.0 0.542 0.712 0.565 -0.000 0.070 -0.000 3/41472 810.0 0.536 0.705 0.560 -0.000 0.068 -0.000 3/41472 820.0 0.531 0.698 0.554 -0.000 0.067 -0.000 3/41472 830.0 0.526 0.692 0.548 -0.000 0.066 -0.000 3/41472 840.0 0.520 0.685 0.543 -0.000 0.065 -0.000 3/41472 850.0 0.515 0.679 0.538 -0.000 0.064 -0.000 3/41472 860.0 0.510 0.672 0.533 -0.000 0.063 -0.000 3/41472 870.0 0.505 0.666 0.527 -0.000 0.062 -0.000 3/41472 880.0 0.501 0.660 0.522 -0.000 0.062 -0.000 3/41472 890.0 0.496 0.654 0.517 -0.000 0.061 -0.000 3/41472 900.0 0.491 0.648 0.513 -0.000 0.060 -0.000 3/41472 910.0 0.486 0.642 0.508 -0.000 0.059 -0.000 3/41472 920.0 0.482 0.637 0.503 -0.000 0.058 -0.000 3/41472 930.0 0.477 0.631 0.499 -0.000 0.057 -0.000 3/41472 940.0 0.473 0.625 0.494 -0.000 0.057 -0.000 3/41472 950.0 0.469 0.620 0.490 -0.000 0.056 -0.000 3/41472 960.0 0.465 0.614 0.485 -0.000 0.055 -0.000 3/41472 970.0 0.460 0.609 0.481 -0.000 0.054 -0.000 3/41472 980.0 0.456 0.604 0.477 -0.000 0.054 -0.000 3/41472 990.0 0.452 0.599 0.472 -0.000 0.053 -0.000 3/41472 1000.0 0.448 0.594 0.468 -0.000 0.052 -0.000 3/41472 Thermal conductivity related properties were written into "kappa-m886.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 16:49:58]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|