----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:27:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.637342000881352 0.000000000000000 0.000000000000000 b 0.000000000000000 10.959220950000001 0.000000000000000 c -3.046662280516149 0.000000000000000 9.555032094510214 Atomic positions (fractional): *1 O 0.17762721509024 0.61838778652024 0.80039139294207 15.999 *2 O 0.60278137616046 0.88911647818330 0.12174778771191 15.999 3 O 0.39721862383954 0.38911647818330 0.37825221228809 15.999 4 O 0.39721862383954 0.11088352181670 0.87825221228809 15.999 5 O 0.60278137616046 0.61088352181670 0.62174778771191 15.999 *6 O 0.17214162040629 0.88412257080773 0.99701516357781 15.999 7 O 0.82785837959371 0.38412257080773 0.50298483642219 15.999 *8 O 0.39408606363617 0.38946478337176 0.06746588347261 15.999 *9 O 0.39681050355577 0.79768108945740 0.71650374064208 15.999 10 O 0.60318949644424 0.29768108945740 0.78349625935792 15.999 11 O 0.60318949644424 0.20231891054260 0.28349625935792 15.999 12 O 0.39681050355577 0.70231891054260 0.21650374064208 15.999 *13 O 0.04464488883936 0.84755974888612 0.60637459094795 15.999 14 O 0.95535511116064 0.34755974888612 0.89362540905205 15.999 15 O 0.95535511116064 0.15244025111388 0.39362540905205 15.999 16 O 0.04464488883936 0.65244025111388 0.10637459094795 15.999 17 O 0.82237278490976 0.11838778652024 0.69960860705793 15.999 18 O 0.17214162040629 0.61587742919227 0.49701516357781 15.999 19 O 0.17762721509024 0.88161221347976 0.30039139294207 15.999 20 O 0.82237278490976 0.38161221347976 0.19960860705793 15.999 *21 O 0.25125991719851 0.32441133151107 0.68352024590828 15.999 22 O 0.74874008280149 0.82441133151107 0.81647975409172 15.999 23 O 0.74874008280149 0.67558866848893 0.31647975409172 15.999 24 O 0.25125991719851 0.17558866848893 0.18352024590828 15.999 25 O 0.39408606363617 0.11053521662824 0.56746588347261 15.999 26 O 0.60591393636382 0.61053521662824 0.93253411652739 15.999 27 O 0.60591393636382 0.88946478337176 0.43253411652739 15.999 28 O 0.82785837959371 0.11587742919227 0.00298483642219 15.999 *29 Na 0.00057977444742 0.26853219419257 0.12786268042289 22.990 *30 Na 0.83999416954793 0.00404869062508 0.51779296395266 22.990 31 Na 0.16000583045208 0.50404869062508 0.98220703604734 22.990 32 Na 0.16000583045208 0.99595130937492 0.48220703604734 22.990 33 Na 0.83999416954793 0.49595130937492 0.01779296395266 22.990 *34 Na 0.38174766209870 0.47464802819193 0.57702714267211 22.990 35 Na 0.61825233790130 0.97464802819193 0.92297285732789 22.990 36 Na 0.61825233790130 0.52535197180807 0.42297285732789 22.990 *37 Na 0.60608201739780 0.24001869165685 0.53269378609569 22.990 38 Na 0.39391798260220 0.74001869165684 0.96730621390431 22.990 39 Na 0.39391798260220 0.75998130834316 0.46730621390431 22.990 40 Na 0.60608201739780 0.25998130834316 0.03269378609569 22.990 *41 Na 0.75718530933958 0.44601683842103 0.71097779536780 22.990 42 Na 0.24281469066042 0.94601683842103 0.78902220463220 22.990 43 Na 0.24281469066042 0.55398316157897 0.28902220463220 22.990 44 Na 0.75718530933958 0.05398316157897 0.21097779536780 22.990 *45 Na 0.58462500916749 0.96098035552070 0.64333622881729 22.990 46 Na 0.41537499083251 0.46098035552070 0.85666377118271 22.990 47 Na 0.41537499083251 0.03901964447930 0.35666377118271 22.990 48 Na 0.58462500916749 0.53901964447930 0.14333622881729 22.990 *49 Na 0.06932503523554 0.47189137936651 0.64306560767168 22.990 50 Na 0.93067496476445 0.97189137936651 0.85693439232832 22.990 51 Na 0.93067496476445 0.52810862063349 0.35693439232832 22.990 52 Na 0.06932503523554 0.02810862063349 0.14306560767168 22.990 *53 Na 0.78670230423958 0.74927046077822 0.57017557568121 22.990 54 Na 0.21329769576042 0.24927046077822 0.92982442431879 22.990 55 Na 0.21329769576042 0.25072953922178 0.42982442431879 22.990 56 Na 0.78670230423958 0.75072953922178 0.07017557568121 22.990 57 Na 0.00057977444742 0.23146780580743 0.62786268042289 22.990 58 Na 0.99942022555258 0.73146780580743 0.87213731957711 22.990 59 Na 0.99942022555258 0.76853219419257 0.37213731957711 22.990 60 Na 0.38174766209870 0.02535197180807 0.07702714267211 22.990 *61 Ga 0.80776871606504 0.28449880323140 0.34663546607683 69.723 62 Ga 0.19223128393496 0.78449880323140 0.15336453392317 69.723 63 Ga 0.19223128393496 0.71550119676860 0.65336453392317 69.723 64 Ga 0.80776871606504 0.21550119676860 0.84663546607683 69.723 *65 Ga 0.40700292440277 0.29780232894929 0.22600714768134 69.723 66 Ga 0.59299707559723 0.79780232894929 0.27399285231866 69.723 67 Ga 0.59299707559723 0.70219767105071 0.77399285231866 69.723 68 Ga 0.40700292440277 0.20219767105071 0.72600714768134 69.723 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.637342000881352 0.000000000000000 0.000000000000000 b 0.000000000000000 10.959220950000001 0.000000000000000 c -3.046662280516149 0.000000000000000 9.555032094510214 Atomic positions (fractional): *1 O 0.17762721509024 0.61838778652024 0.80039139294207 15.999 > 1 *2 O 0.60278137616046 0.88911647818330 0.12174778771191 15.999 > 2 3 O 0.39721862383954 0.38911647818330 0.37825221228809 15.999 > 3 4 O 0.39721862383954 0.11088352181670 0.87825221228809 15.999 > 4 5 O 0.60278137616046 0.61088352181670 0.62174778771191 15.999 > 5 *6 O 0.17214162040629 0.88412257080773 0.99701516357781 15.999 > 6 7 O 0.82785837959371 0.38412257080773 0.50298483642219 15.999 > 7 *8 O 0.39408606363617 0.38946478337176 0.06746588347261 15.999 > 8 *9 O 0.39681050355577 0.79768108945740 0.71650374064208 15.999 > 9 10 O 0.60318949644424 0.29768108945740 0.78349625935792 15.999 > 10 11 O 0.60318949644424 0.20231891054260 0.28349625935792 15.999 > 11 12 O 0.39681050355577 0.70231891054260 0.21650374064208 15.999 > 12 *13 O 0.04464488883936 0.84755974888612 0.60637459094795 15.999 > 13 14 O 0.95535511116064 0.34755974888612 0.89362540905205 15.999 > 14 15 O 0.95535511116064 0.15244025111388 0.39362540905205 15.999 > 15 16 O 0.04464488883936 0.65244025111388 0.10637459094795 15.999 > 16 17 O 0.82237278490976 0.11838778652024 0.69960860705793 15.999 > 17 18 O 0.17214162040629 0.61587742919227 0.49701516357781 15.999 > 18 19 O 0.17762721509024 0.88161221347976 0.30039139294207 15.999 > 19 20 O 0.82237278490976 0.38161221347976 0.19960860705793 15.999 > 20 *21 O 0.25125991719851 0.32441133151107 0.68352024590828 15.999 > 21 22 O 0.74874008280149 0.82441133151107 0.81647975409172 15.999 > 22 23 O 0.74874008280149 0.67558866848893 0.31647975409172 15.999 > 23 24 O 0.25125991719851 0.17558866848893 0.18352024590828 15.999 > 24 25 O 0.39408606363617 0.11053521662824 0.56746588347261 15.999 > 25 26 O 0.60591393636382 0.61053521662824 0.93253411652739 15.999 > 26 27 O 0.60591393636382 0.88946478337176 0.43253411652739 15.999 > 27 28 O 0.82785837959371 0.11587742919227 0.00298483642219 15.999 > 28 *29 Na 0.00057977444742 0.26853219419257 0.12786268042289 22.990 > 29 *30 Na 0.83999416954793 0.00404869062508 0.51779296395266 22.990 > 30 31 Na 0.16000583045208 0.50404869062508 0.98220703604734 22.990 > 31 32 Na 0.16000583045208 0.99595130937492 0.48220703604734 22.990 > 32 33 Na 0.83999416954793 0.49595130937492 0.01779296395266 22.990 > 33 *34 Na 0.38174766209870 0.47464802819193 0.57702714267211 22.990 > 34 35 Na 0.61825233790130 0.97464802819193 0.92297285732789 22.990 > 35 36 Na 0.61825233790130 0.52535197180807 0.42297285732789 22.990 > 36 *37 Na 0.60608201739780 0.24001869165685 0.53269378609569 22.990 > 37 38 Na 0.39391798260220 0.74001869165684 0.96730621390431 22.990 > 38 39 Na 0.39391798260220 0.75998130834316 0.46730621390431 22.990 > 39 40 Na 0.60608201739780 0.25998130834316 0.03269378609569 22.990 > 40 *41 Na 0.75718530933958 0.44601683842103 0.71097779536780 22.990 > 41 42 Na 0.24281469066042 0.94601683842103 0.78902220463220 22.990 > 42 43 Na 0.24281469066042 0.55398316157897 0.28902220463220 22.990 > 43 44 Na 0.75718530933958 0.05398316157897 0.21097779536780 22.990 > 44 *45 Na 0.58462500916749 0.96098035552070 0.64333622881729 22.990 > 45 46 Na 0.41537499083251 0.46098035552070 0.85666377118271 22.990 > 46 47 Na 0.41537499083251 0.03901964447930 0.35666377118271 22.990 > 47 48 Na 0.58462500916749 0.53901964447930 0.14333622881729 22.990 > 48 *49 Na 0.06932503523554 0.47189137936651 0.64306560767168 22.990 > 49 50 Na 0.93067496476445 0.97189137936651 0.85693439232832 22.990 > 50 51 Na 0.93067496476445 0.52810862063349 0.35693439232832 22.990 > 51 52 Na 0.06932503523554 0.02810862063349 0.14306560767168 22.990 > 52 *53 Na 0.78670230423958 0.74927046077822 0.57017557568121 22.990 > 53 54 Na 0.21329769576042 0.24927046077822 0.92982442431879 22.990 > 54 55 Na 0.21329769576042 0.25072953922178 0.42982442431879 22.990 > 55 56 Na 0.78670230423958 0.75072953922178 0.07017557568121 22.990 > 56 57 Na 0.00057977444742 0.23146780580743 0.62786268042289 22.990 > 57 58 Na 0.99942022555258 0.73146780580743 0.87213731957711 22.990 > 58 59 Na 0.99942022555258 0.76853219419257 0.37213731957711 22.990 > 59 60 Na 0.38174766209870 0.02535197180807 0.07702714267211 22.990 > 60 *61 Ga 0.80776871606504 0.28449880323140 0.34663546607683 69.723 > 61 62 Ga 0.19223128393496 0.78449880323140 0.15336453392317 69.723 > 62 63 Ga 0.19223128393496 0.71550119676860 0.65336453392317 69.723 > 63 64 Ga 0.80776871606504 0.21550119676860 0.84663546607683 69.723 > 64 *65 Ga 0.40700292440277 0.29780232894929 0.22600714768134 69.723 > 65 66 Ga 0.59299707559723 0.79780232894929 0.27399285231866 69.723 > 66 67 Ga 0.59299707559723 0.70219767105071 0.77399285231866 69.723 > 67 68 Ga 0.40700292440277 0.20219767105071 0.72600714768134 69.723 > 68 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.274684001762704 0.000000000000000 0.000000000000000 b 0.000000000000000 10.959220950000001 0.000000000000000 c -3.046662280516149 0.000000000000000 9.555032094510214 Atomic positions (fractional): *1 O 0.08881360754512 0.61838778652024 0.80039139294207 15.999 > 1 2 O 0.58881360754512 0.61838778652024 0.80039139294207 15.999 > 1 *3 O 0.30139068808023 0.88911647818330 0.12174778771191 15.999 > 2 4 O 0.80139068808023 0.88911647818330 0.12174778771191 15.999 > 2 5 O 0.19860931191977 0.38911647818330 0.37825221228809 15.999 > 3 6 O 0.69860931191977 0.38911647818330 0.37825221228809 15.999 > 3 7 O 0.19860931191977 0.11088352181670 0.87825221228809 15.999 > 4 8 O 0.69860931191977 0.11088352181670 0.87825221228809 15.999 > 4 9 O 0.30139068808023 0.61088352181670 0.62174778771191 15.999 > 5 10 O 0.80139068808023 0.61088352181670 0.62174778771191 15.999 > 5 *11 O 0.08607081020315 0.88412257080773 0.99701516357781 15.999 > 6 12 O 0.58607081020315 0.88412257080773 0.99701516357781 15.999 > 6 13 O 0.41392918979685 0.38412257080773 0.50298483642219 15.999 > 7 14 O 0.91392918979685 0.38412257080773 0.50298483642219 15.999 > 7 *15 O 0.19704303181809 0.38946478337176 0.06746588347261 15.999 > 8 16 O 0.69704303181809 0.38946478337176 0.06746588347261 15.999 > 8 *17 O 0.19840525177788 0.79768108945740 0.71650374064208 15.999 > 9 18 O 0.69840525177788 0.79768108945740 0.71650374064208 15.999 > 9 19 O 0.30159474822212 0.29768108945740 0.78349625935792 15.999 > 10 20 O 0.80159474822212 0.29768108945740 0.78349625935792 15.999 > 10 21 O 0.30159474822212 0.20231891054260 0.28349625935792 15.999 > 11 22 O 0.80159474822212 0.20231891054260 0.28349625935792 15.999 > 11 23 O 0.19840525177788 0.70231891054260 0.21650374064208 15.999 > 12 24 O 0.69840525177788 0.70231891054260 0.21650374064208 15.999 > 12 *25 O 0.02232244441968 0.84755974888612 0.60637459094795 15.999 > 13 26 O 0.52232244441968 0.84755974888612 0.60637459094795 15.999 > 13 27 O 0.47767755558032 0.34755974888612 0.89362540905205 15.999 > 14 28 O 0.97767755558032 0.34755974888612 0.89362540905205 15.999 > 14 29 O 0.47767755558032 0.15244025111388 0.39362540905205 15.999 > 15 30 O 0.97767755558032 0.15244025111388 0.39362540905205 15.999 > 15 31 O 0.02232244441968 0.65244025111388 0.10637459094795 15.999 > 16 32 O 0.52232244441968 0.65244025111388 0.10637459094795 15.999 > 16 33 O 0.41118639245488 0.11838778652024 0.69960860705793 15.999 > 17 34 O 0.91118639245488 0.11838778652024 0.69960860705793 15.999 > 17 35 O 0.08607081020315 0.61587742919227 0.49701516357781 15.999 > 18 36 O 0.58607081020315 0.61587742919227 0.49701516357781 15.999 > 18 37 O 0.08881360754512 0.88161221347976 0.30039139294207 15.999 > 19 38 O 0.58881360754512 0.88161221347976 0.30039139294207 15.999 > 19 39 O 0.41118639245488 0.38161221347976 0.19960860705793 15.999 > 20 40 O 0.91118639245488 0.38161221347976 0.19960860705793 15.999 > 20 *41 O 0.12562995859925 0.32441133151107 0.68352024590828 15.999 > 21 42 O 0.62562995859925 0.32441133151107 0.68352024590828 15.999 > 21 43 O 0.37437004140075 0.82441133151107 0.81647975409172 15.999 > 22 44 O 0.87437004140075 0.82441133151107 0.81647975409172 15.999 > 22 45 O 0.37437004140075 0.67558866848893 0.31647975409172 15.999 > 23 46 O 0.87437004140075 0.67558866848893 0.31647975409172 15.999 > 23 47 O 0.12562995859925 0.17558866848893 0.18352024590828 15.999 > 24 48 O 0.62562995859925 0.17558866848893 0.18352024590828 15.999 > 24 49 O 0.19704303181809 0.11053521662824 0.56746588347261 15.999 > 25 50 O 0.69704303181809 0.11053521662824 0.56746588347261 15.999 > 25 51 O 0.30295696818191 0.61053521662824 0.93253411652739 15.999 > 26 52 O 0.80295696818191 0.61053521662824 0.93253411652739 15.999 > 26 53 O 0.30295696818191 0.88946478337176 0.43253411652739 15.999 > 27 54 O 0.80295696818191 0.88946478337176 0.43253411652739 15.999 > 27 55 O 0.41392918979685 0.11587742919227 0.00298483642219 15.999 > 28 56 O 0.91392918979685 0.11587742919227 0.00298483642219 15.999 > 28 *57 Na 0.00028988722371 0.26853219419257 0.12786268042289 22.990 > 29 58 Na 0.50028988722371 0.26853219419257 0.12786268042289 22.990 > 29 *59 Na 0.41999708477396 0.00404869062508 0.51779296395266 22.990 > 30 60 Na 0.91999708477396 0.00404869062508 0.51779296395266 22.990 > 30 61 Na 0.08000291522604 0.50404869062508 0.98220703604734 22.990 > 31 62 Na 0.58000291522604 0.50404869062508 0.98220703604734 22.990 > 31 63 Na 0.08000291522604 0.99595130937492 0.48220703604734 22.990 > 32 64 Na 0.58000291522604 0.99595130937492 0.48220703604734 22.990 > 32 65 Na 0.41999708477396 0.49595130937492 0.01779296395266 22.990 > 33 66 Na 0.91999708477396 0.49595130937492 0.01779296395266 22.990 > 33 *67 Na 0.19087383104935 0.47464802819193 0.57702714267211 22.990 > 34 68 Na 0.69087383104935 0.47464802819193 0.57702714267211 22.990 > 34 69 Na 0.30912616895065 0.97464802819193 0.92297285732789 22.990 > 35 70 Na 0.80912616895065 0.97464802819193 0.92297285732789 22.990 > 35 71 Na 0.30912616895065 0.52535197180807 0.42297285732789 22.990 > 36 72 Na 0.80912616895065 0.52535197180807 0.42297285732789 22.990 > 36 *73 Na 0.30304100869890 0.24001869165685 0.53269378609569 22.990 > 37 74 Na 0.80304100869890 0.24001869165685 0.53269378609569 22.990 > 37 75 Na 0.19695899130110 0.74001869165684 0.96730621390431 22.990 > 38 76 Na 0.69695899130110 0.74001869165684 0.96730621390431 22.990 > 38 77 Na 0.19695899130110 0.75998130834316 0.46730621390431 22.990 > 39 78 Na 0.69695899130110 0.75998130834316 0.46730621390431 22.990 > 39 79 Na 0.30304100869890 0.25998130834316 0.03269378609569 22.990 > 40 80 Na 0.80304100869890 0.25998130834316 0.03269378609569 22.990 > 40 *81 Na 0.37859265466979 0.44601683842103 0.71097779536780 22.990 > 41 82 Na 0.87859265466979 0.44601683842103 0.71097779536780 22.990 > 41 83 Na 0.12140734533021 0.94601683842103 0.78902220463220 22.990 > 42 84 Na 0.62140734533021 0.94601683842103 0.78902220463220 22.990 > 42 85 Na 0.12140734533021 0.55398316157897 0.28902220463220 22.990 > 43 86 Na 0.62140734533021 0.55398316157897 0.28902220463220 22.990 > 43 87 Na 0.37859265466979 0.05398316157897 0.21097779536780 22.990 > 44 88 Na 0.87859265466979 0.05398316157897 0.21097779536780 22.990 > 44 *89 Na 0.29231250458374 0.96098035552070 0.64333622881729 22.990 > 45 90 Na 0.79231250458374 0.96098035552070 0.64333622881729 22.990 > 45 91 Na 0.20768749541626 0.46098035552070 0.85666377118271 22.990 > 46 92 Na 0.70768749541626 0.46098035552070 0.85666377118271 22.990 > 46 93 Na 0.20768749541626 0.03901964447930 0.35666377118271 22.990 > 47 94 Na 0.70768749541626 0.03901964447930 0.35666377118271 22.990 > 47 95 Na 0.29231250458374 0.53901964447930 0.14333622881729 22.990 > 48 96 Na 0.79231250458374 0.53901964447930 0.14333622881729 22.990 > 48 *97 Na 0.03466251761777 0.47189137936651 0.64306560767168 22.990 > 49 98 Na 0.53466251761777 0.47189137936651 0.64306560767168 22.990 > 49 99 Na 0.46533748238223 0.97189137936651 0.85693439232832 22.990 > 50 100 Na 0.96533748238223 0.97189137936651 0.85693439232832 22.990 > 50 101 Na 0.46533748238223 0.52810862063349 0.35693439232832 22.990 > 51 102 Na 0.96533748238223 0.52810862063349 0.35693439232832 22.990 > 51 103 Na 0.03466251761777 0.02810862063349 0.14306560767168 22.990 > 52 104 Na 0.53466251761777 0.02810862063349 0.14306560767168 22.990 > 52 *105 Na 0.39335115211979 0.74927046077822 0.57017557568121 22.990 > 53 106 Na 0.89335115211979 0.74927046077822 0.57017557568121 22.990 > 53 107 Na 0.10664884788021 0.24927046077822 0.92982442431879 22.990 > 54 108 Na 0.60664884788021 0.24927046077822 0.92982442431879 22.990 > 54 109 Na 0.10664884788021 0.25072953922178 0.42982442431879 22.990 > 55 110 Na 0.60664884788021 0.25072953922178 0.42982442431879 22.990 > 55 111 Na 0.39335115211979 0.75072953922178 0.07017557568121 22.990 > 56 112 Na 0.89335115211979 0.75072953922178 0.07017557568121 22.990 > 56 113 Na 0.00028988722371 0.23146780580743 0.62786268042289 22.990 > 57 114 Na 0.50028988722371 0.23146780580743 0.62786268042289 22.990 > 57 115 Na 0.49971011277629 0.73146780580743 0.87213731957711 22.990 > 58 116 Na 0.99971011277629 0.73146780580743 0.87213731957711 22.990 > 58 117 Na 0.49971011277629 0.76853219419257 0.37213731957711 22.990 > 59 118 Na 0.99971011277629 0.76853219419257 0.37213731957711 22.990 > 59 119 Na 0.19087383104935 0.02535197180807 0.07702714267211 22.990 > 60 120 Na 0.69087383104935 0.02535197180807 0.07702714267211 22.990 > 60 *121 Ga 0.40388435803252 0.28449880323140 0.34663546607683 69.723 > 61 122 Ga 0.90388435803252 0.28449880323140 0.34663546607683 69.723 > 61 123 Ga 0.09611564196748 0.78449880323140 0.15336453392317 69.723 > 62 124 Ga 0.59611564196748 0.78449880323140 0.15336453392317 69.723 > 62 125 Ga 0.09611564196748 0.71550119676860 0.65336453392317 69.723 > 63 126 Ga 0.59611564196748 0.71550119676860 0.65336453392317 69.723 > 63 127 Ga 0.40388435803252 0.21550119676860 0.84663546607683 69.723 > 64 128 Ga 0.90388435803252 0.21550119676860 0.84663546607683 69.723 > 64 *129 Ga 0.20350146220138 0.29780232894929 0.22600714768134 69.723 > 65 130 Ga 0.70350146220138 0.29780232894929 0.22600714768134 69.723 > 65 131 Ga 0.29649853779862 0.79780232894929 0.27399285231866 69.723 > 66 132 Ga 0.79649853779862 0.79780232894929 0.27399285231866 69.723 > 66 133 Ga 0.29649853779862 0.70219767105071 0.77399285231866 69.723 > 67 134 Ga 0.79649853779862 0.70219767105071 0.77399285231866 69.723 > 67 135 Ga 0.20350146220138 0.20219767105071 0.72600714768134 69.723 > 68 136 Ga 0.70350146220138 0.20219767105071 0.72600714768134 69.723 > 68 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1333953 0.0000000 -0.0002027 0.0000000 3.0491202 0.0000000 -0.0001975 0.0000000 3.1174125 -------------------------- Born effective charges -------------------------- 1 O -1.6122966 -0.1634939 0.2470985 -0.1057615 -1.7634873 0.3119749 0.1821659 0.2964019 -1.9420866 2 O -1.5628941 -0.1568698 0.2272070 -0.1166077 -1.7348060 0.3124620 0.2306483 0.2987318 -1.9861334 3 O -1.5628941 0.1568698 0.2272070 0.1166077 -1.7348060 -0.3124620 0.2306483 -0.2987318 -1.9861334 4 O -1.5628941 -0.1568698 0.2272070 -0.1166077 -1.7348060 0.3124620 0.2306483 0.2987318 -1.9861334 5 O -1.5628941 0.1568698 0.2272070 0.1166077 -1.7348060 -0.3124620 0.2306483 -0.2987318 -1.9861334 6 O -1.5435536 -0.0740277 0.1222886 -0.0667835 -1.7460342 0.2760642 0.0794974 0.3336905 -2.0289186 7 O -1.5435536 0.0740277 0.1222886 0.0667835 -1.7460342 -0.2760642 0.0794974 -0.3336905 -2.0289186 8 O -1.5036651 -0.0314279 0.1234603 -0.0812152 -1.7151671 0.3074832 0.1158455 0.3316191 -2.0767040 9 O -2.4486869 0.0218640 -0.3893421 0.0174714 -1.6088976 -0.0001666 -0.3567933 -0.0109415 -1.5238582 10 O -2.4486869 -0.0218640 -0.3893421 -0.0174714 -1.6088976 0.0001666 -0.3567933 0.0109415 -1.5238582 11 O -2.4486869 0.0218640 -0.3893421 0.0174714 -1.6088976 -0.0001666 -0.3567933 -0.0109415 -1.5238582 12 O -2.4486869 -0.0218640 -0.3893421 -0.0174714 -1.6088976 0.0001666 -0.3567933 0.0109415 -1.5238582 13 O -1.8989485 0.4628494 -0.1329750 0.4076736 -1.9595129 0.2085306 -0.1152335 0.1493697 -1.6347054 14 O -1.8989485 -0.4628494 -0.1329750 -0.4076736 -1.9595129 -0.2085306 -0.1152335 -0.1493697 -1.6347054 15 O -1.8989485 0.4628494 -0.1329750 0.4076736 -1.9595129 0.2085306 -0.1152335 0.1493697 -1.6347054 16 O -1.8989485 -0.4628494 -0.1329750 -0.4076736 -1.9595129 -0.2085306 -0.1152335 -0.1493697 -1.6347054 17 O -1.6122966 0.1634939 0.2470985 0.1057615 -1.7634873 -0.3119749 0.1821659 -0.2964019 -1.9420866 18 O -1.5435536 0.0740277 0.1222886 0.0667835 -1.7460342 -0.2760642 0.0794974 -0.3336905 -2.0289186 19 O -1.6122966 0.1634939 0.2470985 0.1057615 -1.7634873 -0.3119749 0.1821659 -0.2964019 -1.9420866 20 O -1.6122966 -0.1634939 0.2470985 -0.1057615 -1.7634873 0.3119749 0.1821659 0.2964019 -1.9420866 21 O -1.8907682 0.3749061 -0.1108216 0.3666448 -1.8364882 0.1396739 -0.1309209 0.1312225 -1.5967082 22 O -1.8907682 -0.3749061 -0.1108216 -0.3666448 -1.8364882 -0.1396739 -0.1309209 -0.1312225 -1.5967082 23 O -1.8907682 0.3749061 -0.1108216 0.3666448 -1.8364882 0.1396739 -0.1309209 0.1312225 -1.5967082 24 O -1.8907682 -0.3749061 -0.1108216 -0.3666448 -1.8364882 -0.1396739 -0.1309209 -0.1312225 -1.5967082 25 O -1.5036651 0.0314279 0.1234603 0.0812152 -1.7151671 -0.3074832 0.1158455 -0.3316191 -2.0767040 26 O -1.5036651 -0.0314279 0.1234603 -0.0812152 -1.7151671 0.3074832 0.1158455 0.3316191 -2.0767040 27 O -1.5036651 0.0314279 0.1234603 0.0812152 -1.7151671 -0.3074832 0.1158455 -0.3316191 -2.0767040 28 O -1.5435536 -0.0740277 0.1222886 -0.0667835 -1.7460342 0.2760642 0.0794974 0.3336905 -2.0289186 29 Na 1.0312019 0.0011199 0.0068179 0.0241974 0.7763845 0.0080372 0.0005046 0.0049225 1.0345726 30 Na 0.9607226 -0.0529828 0.0194108 -0.0238459 1.1578253 -0.0668254 0.0165634 -0.0166307 1.0108568 31 Na 0.9607226 0.0529828 0.0194108 0.0238459 1.1578253 0.0668254 0.0165634 0.0166307 1.0108568 32 Na 0.9607226 -0.0529828 0.0194108 -0.0238459 1.1578253 -0.0668254 0.0165634 -0.0166307 1.0108568 33 Na 0.9607226 0.0529828 0.0194108 0.0238459 1.1578253 0.0668254 0.0165634 0.0166307 1.0108568 34 Na 0.9168036 -0.0674480 -0.0194139 -0.0332347 1.1300945 -0.0252360 -0.0532381 0.0381775 0.9566932 35 Na 0.9168036 0.0674480 -0.0194139 0.0332347 1.1300945 0.0252360 -0.0532381 -0.0381775 0.9566932 36 Na 0.9168036 -0.0674480 -0.0194139 -0.0332347 1.1300945 -0.0252360 -0.0532381 0.0381775 0.9566932 37 Na 1.0092588 0.0309000 -0.0408836 0.0350534 0.8455311 -0.1208978 -0.0620094 -0.1436025 1.1493242 38 Na 1.0092588 -0.0309000 -0.0408836 -0.0350534 0.8455311 0.1208978 -0.0620094 0.1436025 1.1493242 39 Na 1.0092588 0.0309000 -0.0408836 0.0350534 0.8455311 -0.1208978 -0.0620094 -0.1436025 1.1493242 40 Na 1.0092588 -0.0309000 -0.0408836 -0.0350534 0.8455311 0.1208978 -0.0620094 0.1436025 1.1493242 41 Na 0.9533405 -0.0435176 -0.0686571 -0.0616072 1.0912950 -0.0151715 -0.0859935 0.0063933 1.0096118 42 Na 0.9533405 0.0435176 -0.0686571 0.0616072 1.0912950 0.0151715 -0.0859935 -0.0063933 1.0096118 43 Na 0.9533405 -0.0435176 -0.0686571 -0.0616072 1.0912950 -0.0151715 -0.0859935 0.0063933 1.0096118 44 Na 0.9533405 0.0435176 -0.0686571 0.0616072 1.0912950 0.0151715 -0.0859935 -0.0063933 1.0096118 45 Na 0.9530878 0.0566549 -0.0464185 0.0329581 1.1573310 0.0015733 -0.0222641 0.0815475 0.9841887 46 Na 0.9530878 -0.0566549 -0.0464185 -0.0329581 1.1573310 -0.0015733 -0.0222641 -0.0815475 0.9841887 47 Na 0.9530878 0.0566549 -0.0464185 0.0329581 1.1573310 0.0015733 -0.0222641 0.0815475 0.9841887 48 Na 0.9530878 -0.0566549 -0.0464185 -0.0329581 1.1573310 -0.0015733 -0.0222641 -0.0815475 0.9841887 49 Na 0.9802802 0.0720975 0.0130886 0.0989415 1.0768813 -0.0529863 0.0741656 -0.0379362 0.8909495 50 Na 0.9802802 -0.0720975 0.0130886 -0.0989415 1.0768813 0.0529863 0.0741656 0.0379362 0.8909495 51 Na 0.9802802 0.0720975 0.0130886 0.0989415 1.0768813 -0.0529863 0.0741656 -0.0379362 0.8909495 52 Na 0.9802802 -0.0720975 0.0130886 -0.0989415 1.0768813 0.0529863 0.0741656 0.0379362 0.8909495 53 Na 1.0755140 0.0257009 -0.0210036 0.0017663 0.8090299 -0.0117618 -0.0154680 0.0154084 1.0772199 54 Na 1.0755140 -0.0257009 -0.0210036 -0.0017663 0.8090299 0.0117618 -0.0154680 -0.0154084 1.0772199 55 Na 1.0755140 0.0257009 -0.0210036 0.0017663 0.8090299 -0.0117618 -0.0154680 0.0154084 1.0772199 56 Na 1.0755140 -0.0257009 -0.0210036 -0.0017663 0.8090299 0.0117618 -0.0154680 -0.0154084 1.0772199 57 Na 1.0312019 -0.0011199 0.0068179 -0.0241974 0.7763845 -0.0080372 0.0005046 -0.0049225 1.0345726 58 Na 1.0312019 0.0011199 0.0068179 0.0241974 0.7763845 0.0080372 0.0005046 0.0049225 1.0345726 59 Na 1.0312019 -0.0011199 0.0068179 -0.0241974 0.7763845 -0.0080372 0.0005046 -0.0049225 1.0345726 60 Na 0.9168036 0.0674480 -0.0194139 0.0332347 1.1300945 0.0252360 -0.0532381 -0.0381775 0.9566932 61 Ga 2.2772468 0.0370911 0.0543541 -0.1794682 2.2052500 -0.0840847 0.0974559 0.0624967 2.3208571 62 Ga 2.2772468 -0.0370911 0.0543541 0.1794682 2.2052500 0.0840847 0.0974559 -0.0624967 2.3208571 63 Ga 2.2772468 0.0370911 0.0543541 -0.1794682 2.2052500 -0.0840847 0.0974559 0.0624967 2.3208571 64 Ga 2.2772468 -0.0370911 0.0543541 0.1794682 2.2052500 0.0840847 0.0974559 -0.0624967 2.3208571 65 Ga 2.3033570 -0.1125667 0.0157892 0.1209537 2.1147708 0.0354513 0.0450742 -0.0336591 2.3548408 66 Ga 2.3033570 0.1125667 0.0157892 -0.1209537 2.1147708 -0.0354513 0.0450742 0.0336591 2.3548408 67 Ga 2.3033570 -0.1125667 0.0157892 0.1209537 2.1147708 0.0354513 0.0450742 -0.0336591 2.3548408 68 Ga 2.3033570 0.1125667 0.0157892 -0.1209537 2.1147708 -0.0354513 0.0450742 0.0336591 2.3548408 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2312 / 2312 (1) 279 eigenvectors found. (1) Complementary block size: 149 (1) Compute compressed projector. (1) Use standard solver. (1) 115 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2312 / 2312 (1) 279 eigenvectors found. (1) Complementary block size: 149 (1) Compute compressed projector. (1) Use standard solver. (1) 115 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 115), data: (2312, 149) @ (149, 115) |-- (312, 279), data: True |-- (500, 478), data: False |-- (500, 16), data: (500, 38) @ (38, 16) |-- (250, 234), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 218), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 115), data: (2312, 149) @ (149, 115) |-- (312, 279), data: True |-- (500, 478), data: False |-- (500, 16), data: (500, 38) @ (38, 16) |-- (250, 234), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 218), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2080 - Time: 3.740 Solver_block: 200 / 2080 - Time: 3.254 Solver_block: 300 / 2080 - Time: 3.255 Solver_block: 400 / 2080 - Time: 3.346 Solver_block: 500 / 2080 - Time: 3.212 Solver_block: 600 / 2080 - Time: 3.318 Solver_block: 700 / 2080 - Time: 3.327 Solver_block: 800 / 2080 - Time: 3.391 Solver_block: 900 / 2080 - Time: 3.363 Solver_block: 1000 / 2080 - Time: 3.306 Solver_block: 1100 / 2080 - Time: 3.414 Solver_block: 1200 / 2080 - Time: 3.360 Solver_block: 1300 / 2080 - Time: 3.265 Solver_block: 1400 / 2080 - Time: 3.232 Solver_block: 1500 / 2080 - Time: 3.345 Solver_block: 1600 / 2080 - Time: 3.218 Solver_block: 1700 / 2080 - Time: 3.261 Solver_block: 1800 / 2080 - Time: 3.385 Solver_block: 1900 / 2080 - Time: 3.391 Solver_block: 2000 / 2080 - Time: 3.411 Solver_block: 2080 / 2080 - Time: 2.665 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 71.440 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 408/408 Permutation basis: 41820/41820 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 10608 Number of blocks in projector: 10608 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: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2312 / 2312 (1) 279 eigenvectors found. (1) Complementary block size: 149 (1) Compute compressed projector. (1) Use standard solver. (1) 115 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 64 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 224 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 50 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2312 / 2312 (1) 279 eigenvectors found. (1) Complementary block size: 149 (1) Compute compressed projector. (1) Use standard solver. (1) 115 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2312 Use submatrix version of eigh solver. (1) Block: 500 / 2312 (2) Block: 250 / 500 (2) 217 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 33 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1000 / 2312 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1500 / 2312 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 2000 / 2312 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 2312 / 2312 (1) 299 eigenvectors found. (1) Complementary block size: 123 (1) Compute compressed projector. (1) Use standard solver. (1) 90 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1224 Use submatrix version of eigh solver. (1) Block: 500 / 1224 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 33 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1224 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 1224 / 1224 (1) 207 eigenvectors found. (1) Complementary block size: 47 (1) Compute compressed projector. (1) Use standard solver. (1) 30 eigenvectors found. Tree of FC basis block matrices: - (10608, 10456), data: False |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (1224, 1207), data: False |-- (1224, 30), data: (1224, 47) @ (47, 30) |-- (224, 207), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (500, 483), data: False |-- (500, 16), data: (500, 33) @ (33, 16) |-- (250, 234), data: True |-- (250, 233), data: True |-- (2312, 2279), data: False |-- (2312, 90), data: (2312, 123) @ (123, 90) |-- (312, 299), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 467), data: False |-- (500, 33), data: (500, 66) @ (66, 33) |-- (250, 217), data: True |-- (250, 217), data: True |-- (2312, 2278), data: False |-- (2312, 115), data: (2312, 149) @ (149, 115) |-- (312, 279), data: True |-- (500, 478), data: False |-- (500, 16), data: (500, 38) @ (38, 16) |-- (250, 234), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 218), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True |-- (2312, 2278), data: False |-- (2312, 115), data: (2312, 149) @ (149, 115) |-- (312, 279), data: True |-- (500, 478), data: False |-- (500, 16), data: (500, 38) @ (38, 16) |-- (250, 234), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 24), data: (500, 50) @ (50, 24) |-- (250, 226), data: True |-- (250, 224), data: True |-- (500, 466), data: False |-- (500, 30), data: (500, 64) @ (64, 30) |-- (250, 218), data: True |-- (250, 218), data: True |-- (500, 466), data: False |-- (500, 34), data: (500, 68) @ (68, 34) |-- (250, 216), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:30:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:30:20]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.637342000881352 0.000000000000000 0.000000000000000 b 0.000000000000000 10.959220950000001 0.000000000000000 c -3.046662280516149 0.000000000000000 9.555032094510214 Atomic positions (fractional): 1 O 0.17762721509024 0.61838778652024 0.80039139294207 15.999 2 O 0.60278137616046 0.88911647818330 0.12174778771191 15.999 3 O 0.39721862383954 0.38911647818330 0.37825221228809 15.999 4 O 0.39721862383954 0.11088352181670 0.87825221228809 15.999 5 O 0.60278137616046 0.61088352181670 0.62174778771191 15.999 6 O 0.17214162040629 0.88412257080773 0.99701516357781 15.999 7 O 0.82785837959371 0.38412257080773 0.50298483642219 15.999 8 O 0.39408606363617 0.38946478337176 0.06746588347261 15.999 9 O 0.39681050355577 0.79768108945740 0.71650374064208 15.999 10 O 0.60318949644424 0.29768108945740 0.78349625935792 15.999 11 O 0.60318949644424 0.20231891054260 0.28349625935792 15.999 12 O 0.39681050355577 0.70231891054260 0.21650374064208 15.999 13 O 0.04464488883936 0.84755974888612 0.60637459094795 15.999 14 O 0.95535511116064 0.34755974888612 0.89362540905205 15.999 15 O 0.95535511116064 0.15244025111388 0.39362540905205 15.999 16 O 0.04464488883936 0.65244025111388 0.10637459094795 15.999 17 O 0.82237278490976 0.11838778652024 0.69960860705793 15.999 18 O 0.17214162040629 0.61587742919227 0.49701516357781 15.999 19 O 0.17762721509024 0.88161221347976 0.30039139294207 15.999 20 O 0.82237278490976 0.38161221347976 0.19960860705793 15.999 21 O 0.25125991719851 0.32441133151107 0.68352024590828 15.999 22 O 0.74874008280149 0.82441133151107 0.81647975409172 15.999 23 O 0.74874008280149 0.67558866848893 0.31647975409172 15.999 24 O 0.25125991719851 0.17558866848893 0.18352024590828 15.999 25 O 0.39408606363617 0.11053521662824 0.56746588347261 15.999 26 O 0.60591393636382 0.61053521662824 0.93253411652739 15.999 27 O 0.60591393636382 0.88946478337176 0.43253411652739 15.999 28 O 0.82785837959371 0.11587742919227 0.00298483642219 15.999 29 Na 0.00057977444742 0.26853219419257 0.12786268042289 22.990 30 Na 0.83999416954793 0.00404869062508 0.51779296395266 22.990 31 Na 0.16000583045208 0.50404869062508 0.98220703604734 22.990 32 Na 0.16000583045208 0.99595130937492 0.48220703604734 22.990 33 Na 0.83999416954793 0.49595130937492 0.01779296395266 22.990 34 Na 0.38174766209870 0.47464802819193 0.57702714267211 22.990 35 Na 0.61825233790130 0.97464802819193 0.92297285732789 22.990 36 Na 0.61825233790130 0.52535197180807 0.42297285732789 22.990 37 Na 0.60608201739780 0.24001869165685 0.53269378609569 22.990 38 Na 0.39391798260220 0.74001869165684 0.96730621390431 22.990 39 Na 0.39391798260220 0.75998130834316 0.46730621390431 22.990 40 Na 0.60608201739780 0.25998130834316 0.03269378609569 22.990 41 Na 0.75718530933958 0.44601683842103 0.71097779536780 22.990 42 Na 0.24281469066042 0.94601683842103 0.78902220463220 22.990 43 Na 0.24281469066042 0.55398316157897 0.28902220463220 22.990 44 Na 0.75718530933958 0.05398316157897 0.21097779536780 22.990 45 Na 0.58462500916749 0.96098035552070 0.64333622881729 22.990 46 Na 0.41537499083251 0.46098035552070 0.85666377118271 22.990 47 Na 0.41537499083251 0.03901964447930 0.35666377118271 22.990 48 Na 0.58462500916749 0.53901964447930 0.14333622881729 22.990 49 Na 0.06932503523554 0.47189137936651 0.64306560767168 22.990 50 Na 0.93067496476445 0.97189137936651 0.85693439232832 22.990 51 Na 0.93067496476445 0.52810862063349 0.35693439232832 22.990 52 Na 0.06932503523554 0.02810862063349 0.14306560767168 22.990 53 Na 0.78670230423958 0.74927046077822 0.57017557568121 22.990 54 Na 0.21329769576042 0.24927046077822 0.92982442431879 22.990 55 Na 0.21329769576042 0.25072953922178 0.42982442431879 22.990 56 Na 0.78670230423958 0.75072953922178 0.07017557568121 22.990 57 Na 0.00057977444742 0.23146780580743 0.62786268042289 22.990 58 Na 0.99942022555258 0.73146780580743 0.87213731957711 22.990 59 Na 0.99942022555258 0.76853219419257 0.37213731957711 22.990 60 Na 0.38174766209870 0.02535197180807 0.07702714267211 22.990 61 Ga 0.80776871606504 0.28449880323140 0.34663546607683 69.723 62 Ga 0.19223128393496 0.78449880323140 0.15336453392317 69.723 63 Ga 0.19223128393496 0.71550119676860 0.65336453392317 69.723 64 Ga 0.80776871606504 0.21550119676860 0.84663546607683 69.723 65 Ga 0.40700292440277 0.29780232894929 0.22600714768134 69.723 66 Ga 0.59299707559723 0.79780232894929 0.27399285231866 69.723 67 Ga 0.59299707559723 0.70219767105071 0.77399285231866 69.723 68 Ga 0.40700292440277 0.20219767105071 0.72600714768134 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.274684001762704 0.000000000000000 0.000000000000000 b 0.000000000000000 10.959220950000001 0.000000000000000 c -3.046662280516149 0.000000000000000 9.555032094510214 Atomic positions (fractional): 1 O 0.08881360754512 0.61838778652024 0.80039139294207 15.999 > 1 2 O 0.58881360754512 0.61838778652024 0.80039139294207 15.999 > 1 3 O 0.30139068808023 0.88911647818330 0.12174778771191 15.999 > 3 4 O 0.80139068808023 0.88911647818330 0.12174778771191 15.999 > 3 5 O 0.19860931191977 0.38911647818330 0.37825221228809 15.999 > 5 6 O 0.69860931191977 0.38911647818330 0.37825221228809 15.999 > 5 7 O 0.19860931191977 0.11088352181670 0.87825221228809 15.999 > 7 8 O 0.69860931191977 0.11088352181670 0.87825221228809 15.999 > 7 9 O 0.30139068808023 0.61088352181670 0.62174778771191 15.999 > 9 10 O 0.80139068808023 0.61088352181670 0.62174778771191 15.999 > 9 11 O 0.08607081020315 0.88412257080773 0.99701516357781 15.999 > 11 12 O 0.58607081020315 0.88412257080773 0.99701516357781 15.999 > 11 13 O 0.41392918979685 0.38412257080773 0.50298483642219 15.999 > 13 14 O 0.91392918979685 0.38412257080773 0.50298483642219 15.999 > 13 15 O 0.19704303181809 0.38946478337176 0.06746588347261 15.999 > 15 16 O 0.69704303181809 0.38946478337176 0.06746588347261 15.999 > 15 17 O 0.19840525177788 0.79768108945740 0.71650374064208 15.999 > 17 18 O 0.69840525177788 0.79768108945740 0.71650374064208 15.999 > 17 19 O 0.30159474822212 0.29768108945740 0.78349625935792 15.999 > 19 20 O 0.80159474822212 0.29768108945740 0.78349625935792 15.999 > 19 21 O 0.30159474822212 0.20231891054260 0.28349625935792 15.999 > 21 22 O 0.80159474822212 0.20231891054260 0.28349625935792 15.999 > 21 23 O 0.19840525177788 0.70231891054260 0.21650374064208 15.999 > 23 24 O 0.69840525177788 0.70231891054260 0.21650374064208 15.999 > 23 25 O 0.02232244441968 0.84755974888612 0.60637459094795 15.999 > 25 26 O 0.52232244441968 0.84755974888612 0.60637459094795 15.999 > 25 27 O 0.47767755558032 0.34755974888612 0.89362540905205 15.999 > 27 28 O 0.97767755558032 0.34755974888612 0.89362540905205 15.999 > 27 29 O 0.47767755558032 0.15244025111388 0.39362540905205 15.999 > 29 30 O 0.97767755558032 0.15244025111388 0.39362540905205 15.999 > 29 31 O 0.02232244441968 0.65244025111388 0.10637459094795 15.999 > 31 32 O 0.52232244441968 0.65244025111388 0.10637459094795 15.999 > 31 33 O 0.41118639245488 0.11838778652024 0.69960860705793 15.999 > 33 34 O 0.91118639245488 0.11838778652024 0.69960860705793 15.999 > 33 35 O 0.08607081020315 0.61587742919227 0.49701516357781 15.999 > 35 36 O 0.58607081020315 0.61587742919227 0.49701516357781 15.999 > 35 37 O 0.08881360754512 0.88161221347976 0.30039139294207 15.999 > 37 38 O 0.58881360754512 0.88161221347976 0.30039139294207 15.999 > 37 39 O 0.41118639245488 0.38161221347976 0.19960860705793 15.999 > 39 40 O 0.91118639245488 0.38161221347976 0.19960860705793 15.999 > 39 41 O 0.12562995859925 0.32441133151107 0.68352024590828 15.999 > 41 42 O 0.62562995859925 0.32441133151107 0.68352024590828 15.999 > 41 43 O 0.37437004140075 0.82441133151107 0.81647975409172 15.999 > 43 44 O 0.87437004140075 0.82441133151107 0.81647975409172 15.999 > 43 45 O 0.37437004140075 0.67558866848893 0.31647975409172 15.999 > 45 46 O 0.87437004140075 0.67558866848893 0.31647975409172 15.999 > 45 47 O 0.12562995859925 0.17558866848893 0.18352024590828 15.999 > 47 48 O 0.62562995859925 0.17558866848893 0.18352024590828 15.999 > 47 49 O 0.19704303181809 0.11053521662824 0.56746588347261 15.999 > 49 50 O 0.69704303181809 0.11053521662824 0.56746588347261 15.999 > 49 51 O 0.30295696818191 0.61053521662824 0.93253411652739 15.999 > 51 52 O 0.80295696818191 0.61053521662824 0.93253411652739 15.999 > 51 53 O 0.30295696818191 0.88946478337176 0.43253411652739 15.999 > 53 54 O 0.80295696818191 0.88946478337176 0.43253411652739 15.999 > 53 55 O 0.41392918979685 0.11587742919227 0.00298483642219 15.999 > 55 56 O 0.91392918979685 0.11587742919227 0.00298483642219 15.999 > 55 57 Na 0.00028988722371 0.26853219419257 0.12786268042289 22.990 > 57 58 Na 0.50028988722371 0.26853219419257 0.12786268042289 22.990 > 57 59 Na 0.41999708477396 0.00404869062508 0.51779296395266 22.990 > 59 60 Na 0.91999708477396 0.00404869062508 0.51779296395266 22.990 > 59 61 Na 0.08000291522604 0.50404869062508 0.98220703604734 22.990 > 61 62 Na 0.58000291522604 0.50404869062508 0.98220703604734 22.990 > 61 63 Na 0.08000291522604 0.99595130937492 0.48220703604734 22.990 > 63 64 Na 0.58000291522604 0.99595130937492 0.48220703604734 22.990 > 63 65 Na 0.41999708477396 0.49595130937492 0.01779296395266 22.990 > 65 66 Na 0.91999708477396 0.49595130937492 0.01779296395266 22.990 > 65 67 Na 0.19087383104935 0.47464802819193 0.57702714267211 22.990 > 67 68 Na 0.69087383104935 0.47464802819193 0.57702714267211 22.990 > 67 69 Na 0.30912616895065 0.97464802819193 0.92297285732789 22.990 > 69 70 Na 0.80912616895065 0.97464802819193 0.92297285732789 22.990 > 69 71 Na 0.30912616895065 0.52535197180807 0.42297285732789 22.990 > 71 72 Na 0.80912616895065 0.52535197180807 0.42297285732789 22.990 > 71 73 Na 0.30304100869890 0.24001869165685 0.53269378609569 22.990 > 73 74 Na 0.80304100869890 0.24001869165685 0.53269378609569 22.990 > 73 75 Na 0.19695899130110 0.74001869165684 0.96730621390431 22.990 > 75 76 Na 0.69695899130110 0.74001869165684 0.96730621390431 22.990 > 75 77 Na 0.19695899130110 0.75998130834316 0.46730621390431 22.990 > 77 78 Na 0.69695899130110 0.75998130834316 0.46730621390431 22.990 > 77 79 Na 0.30304100869890 0.25998130834316 0.03269378609569 22.990 > 79 80 Na 0.80304100869890 0.25998130834316 0.03269378609569 22.990 > 79 81 Na 0.37859265466979 0.44601683842103 0.71097779536780 22.990 > 81 82 Na 0.87859265466979 0.44601683842103 0.71097779536780 22.990 > 81 83 Na 0.12140734533021 0.94601683842103 0.78902220463220 22.990 > 83 84 Na 0.62140734533021 0.94601683842103 0.78902220463220 22.990 > 83 85 Na 0.12140734533021 0.55398316157897 0.28902220463220 22.990 > 85 86 Na 0.62140734533021 0.55398316157897 0.28902220463220 22.990 > 85 87 Na 0.37859265466979 0.05398316157897 0.21097779536780 22.990 > 87 88 Na 0.87859265466979 0.05398316157897 0.21097779536780 22.990 > 87 89 Na 0.29231250458374 0.96098035552070 0.64333622881729 22.990 > 89 90 Na 0.79231250458374 0.96098035552070 0.64333622881729 22.990 > 89 91 Na 0.20768749541626 0.46098035552070 0.85666377118271 22.990 > 91 92 Na 0.70768749541626 0.46098035552070 0.85666377118271 22.990 > 91 93 Na 0.20768749541626 0.03901964447930 0.35666377118271 22.990 > 93 94 Na 0.70768749541626 0.03901964447930 0.35666377118271 22.990 > 93 95 Na 0.29231250458374 0.53901964447930 0.14333622881729 22.990 > 95 96 Na 0.79231250458374 0.53901964447930 0.14333622881729 22.990 > 95 97 Na 0.03466251761777 0.47189137936651 0.64306560767168 22.990 > 97 98 Na 0.53466251761777 0.47189137936651 0.64306560767168 22.990 > 97 99 Na 0.46533748238223 0.97189137936651 0.85693439232832 22.990 > 99 100 Na 0.96533748238223 0.97189137936651 0.85693439232832 22.990 > 99 101 Na 0.46533748238223 0.52810862063349 0.35693439232832 22.990 > 101 102 Na 0.96533748238223 0.52810862063349 0.35693439232832 22.990 > 101 103 Na 0.03466251761777 0.02810862063349 0.14306560767168 22.990 > 103 104 Na 0.53466251761777 0.02810862063349 0.14306560767168 22.990 > 103 105 Na 0.39335115211979 0.74927046077822 0.57017557568121 22.990 > 105 106 Na 0.89335115211979 0.74927046077822 0.57017557568121 22.990 > 105 107 Na 0.10664884788021 0.24927046077822 0.92982442431879 22.990 > 107 108 Na 0.60664884788021 0.24927046077822 0.92982442431879 22.990 > 107 109 Na 0.10664884788021 0.25072953922178 0.42982442431879 22.990 > 109 110 Na 0.60664884788021 0.25072953922178 0.42982442431879 22.990 > 109 111 Na 0.39335115211979 0.75072953922178 0.07017557568121 22.990 > 111 112 Na 0.89335115211979 0.75072953922178 0.07017557568121 22.990 > 111 113 Na 0.00028988722371 0.23146780580743 0.62786268042289 22.990 > 113 114 Na 0.50028988722371 0.23146780580743 0.62786268042289 22.990 > 113 115 Na 0.49971011277629 0.73146780580743 0.87213731957711 22.990 > 115 116 Na 0.99971011277629 0.73146780580743 0.87213731957711 22.990 > 115 117 Na 0.49971011277629 0.76853219419257 0.37213731957711 22.990 > 117 118 Na 0.99971011277629 0.76853219419257 0.37213731957711 22.990 > 117 119 Na 0.19087383104935 0.02535197180807 0.07702714267211 22.990 > 119 120 Na 0.69087383104935 0.02535197180807 0.07702714267211 22.990 > 119 121 Ga 0.40388435803252 0.28449880323140 0.34663546607683 69.723 > 121 122 Ga 0.90388435803252 0.28449880323140 0.34663546607683 69.723 > 121 123 Ga 0.09611564196748 0.78449880323140 0.15336453392317 69.723 > 123 124 Ga 0.59611564196748 0.78449880323140 0.15336453392317 69.723 > 123 125 Ga 0.09611564196748 0.71550119676860 0.65336453392317 69.723 > 125 126 Ga 0.59611564196748 0.71550119676860 0.65336453392317 69.723 > 125 127 Ga 0.40388435803252 0.21550119676860 0.84663546607683 69.723 > 127 128 Ga 0.90388435803252 0.21550119676860 0.84663546607683 69.723 > 127 129 Ga 0.20350146220138 0.29780232894929 0.22600714768134 69.723 > 129 130 Ga 0.70350146220138 0.29780232894929 0.22600714768134 69.723 > 129 131 Ga 0.29649853779862 0.79780232894929 0.27399285231866 69.723 > 131 132 Ga 0.79649853779862 0.79780232894929 0.27399285231866 69.723 > 131 133 Ga 0.29649853779862 0.70219767105071 0.77399285231866 69.723 > 133 134 Ga 0.79649853779862 0.70219767105071 0.77399285231866 69.723 > 133 135 Ga 0.20350146220138 0.20219767105071 0.72600714768134 69.723 > 135 136 Ga 0.70350146220138 0.20219767105071 0.72600714768134 69.723 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.1333953 0.0000000 -0.0002027 0.0000000 3.0491202 0.0000000 -0.0001975 0.0000000 3.1174125 -------------------------- Born effective charges -------------------------- 1 O -1.6122966 -0.1634939 0.2470985 -0.1057615 -1.7634873 0.3119749 0.1821659 0.2964019 -1.9420866 2 O -1.5628941 -0.1568698 0.2272070 -0.1166077 -1.7348060 0.3124620 0.2306483 0.2987318 -1.9861334 3 O -1.5628941 0.1568698 0.2272070 0.1166077 -1.7348060 -0.3124620 0.2306483 -0.2987318 -1.9861334 4 O -1.5628941 -0.1568698 0.2272070 -0.1166077 -1.7348060 0.3124620 0.2306483 0.2987318 -1.9861334 5 O -1.5628941 0.1568698 0.2272070 0.1166077 -1.7348060 -0.3124620 0.2306483 -0.2987318 -1.9861334 6 O -1.5435536 -0.0740277 0.1222886 -0.0667835 -1.7460342 0.2760642 0.0794974 0.3336905 -2.0289186 7 O -1.5435536 0.0740277 0.1222886 0.0667835 -1.7460342 -0.2760642 0.0794974 -0.3336905 -2.0289186 8 O -1.5036651 -0.0314279 0.1234603 -0.0812152 -1.7151671 0.3074832 0.1158455 0.3316191 -2.0767040 9 O -2.4486869 0.0218640 -0.3893421 0.0174714 -1.6088976 -0.0001666 -0.3567933 -0.0109415 -1.5238582 10 O -2.4486869 -0.0218640 -0.3893421 -0.0174714 -1.6088976 0.0001666 -0.3567933 0.0109415 -1.5238582 11 O -2.4486869 0.0218640 -0.3893421 0.0174714 -1.6088976 -0.0001666 -0.3567933 -0.0109415 -1.5238582 12 O -2.4486869 -0.0218640 -0.3893421 -0.0174714 -1.6088976 0.0001666 -0.3567933 0.0109415 -1.5238582 13 O -1.8989485 0.4628494 -0.1329750 0.4076736 -1.9595129 0.2085306 -0.1152335 0.1493697 -1.6347054 14 O -1.8989485 -0.4628494 -0.1329750 -0.4076736 -1.9595129 -0.2085306 -0.1152335 -0.1493697 -1.6347054 15 O -1.8989485 0.4628494 -0.1329750 0.4076736 -1.9595129 0.2085306 -0.1152335 0.1493697 -1.6347054 16 O -1.8989485 -0.4628494 -0.1329750 -0.4076736 -1.9595129 -0.2085306 -0.1152335 -0.1493697 -1.6347054 17 O -1.6122966 0.1634939 0.2470985 0.1057615 -1.7634873 -0.3119749 0.1821659 -0.2964019 -1.9420866 18 O -1.5435536 0.0740277 0.1222886 0.0667835 -1.7460342 -0.2760642 0.0794974 -0.3336905 -2.0289186 19 O -1.6122966 0.1634939 0.2470985 0.1057615 -1.7634873 -0.3119749 0.1821659 -0.2964019 -1.9420866 20 O -1.6122966 -0.1634939 0.2470985 -0.1057615 -1.7634873 0.3119749 0.1821659 0.2964019 -1.9420866 21 O -1.8907682 0.3749061 -0.1108216 0.3666448 -1.8364882 0.1396739 -0.1309209 0.1312225 -1.5967082 22 O -1.8907682 -0.3749061 -0.1108216 -0.3666448 -1.8364882 -0.1396739 -0.1309209 -0.1312225 -1.5967082 23 O -1.8907682 0.3749061 -0.1108216 0.3666448 -1.8364882 0.1396739 -0.1309209 0.1312225 -1.5967082 24 O -1.8907682 -0.3749061 -0.1108216 -0.3666448 -1.8364882 -0.1396739 -0.1309209 -0.1312225 -1.5967082 25 O -1.5036651 0.0314279 0.1234603 0.0812152 -1.7151671 -0.3074832 0.1158455 -0.3316191 -2.0767040 26 O -1.5036651 -0.0314279 0.1234603 -0.0812152 -1.7151671 0.3074832 0.1158455 0.3316191 -2.0767040 27 O -1.5036651 0.0314279 0.1234603 0.0812152 -1.7151671 -0.3074832 0.1158455 -0.3316191 -2.0767040 28 O -1.5435536 -0.0740277 0.1222886 -0.0667835 -1.7460342 0.2760642 0.0794974 0.3336905 -2.0289186 29 Na 1.0312019 0.0011199 0.0068179 0.0241974 0.7763845 0.0080372 0.0005046 0.0049225 1.0345726 30 Na 0.9607226 -0.0529828 0.0194108 -0.0238459 1.1578253 -0.0668254 0.0165634 -0.0166307 1.0108568 31 Na 0.9607226 0.0529828 0.0194108 0.0238459 1.1578253 0.0668254 0.0165634 0.0166307 1.0108568 32 Na 0.9607226 -0.0529828 0.0194108 -0.0238459 1.1578253 -0.0668254 0.0165634 -0.0166307 1.0108568 33 Na 0.9607226 0.0529828 0.0194108 0.0238459 1.1578253 0.0668254 0.0165634 0.0166307 1.0108568 34 Na 0.9168036 -0.0674480 -0.0194139 -0.0332347 1.1300945 -0.0252360 -0.0532381 0.0381775 0.9566932 35 Na 0.9168036 0.0674480 -0.0194139 0.0332347 1.1300945 0.0252360 -0.0532381 -0.0381775 0.9566932 36 Na 0.9168036 -0.0674480 -0.0194139 -0.0332347 1.1300945 -0.0252360 -0.0532381 0.0381775 0.9566932 37 Na 1.0092588 0.0309000 -0.0408836 0.0350534 0.8455311 -0.1208978 -0.0620094 -0.1436025 1.1493242 38 Na 1.0092588 -0.0309000 -0.0408836 -0.0350534 0.8455311 0.1208978 -0.0620094 0.1436025 1.1493242 39 Na 1.0092588 0.0309000 -0.0408836 0.0350534 0.8455311 -0.1208978 -0.0620094 -0.1436025 1.1493242 40 Na 1.0092588 -0.0309000 -0.0408836 -0.0350534 0.8455311 0.1208978 -0.0620094 0.1436025 1.1493242 41 Na 0.9533405 -0.0435176 -0.0686571 -0.0616072 1.0912950 -0.0151715 -0.0859935 0.0063933 1.0096118 42 Na 0.9533405 0.0435176 -0.0686571 0.0616072 1.0912950 0.0151715 -0.0859935 -0.0063933 1.0096118 43 Na 0.9533405 -0.0435176 -0.0686571 -0.0616072 1.0912950 -0.0151715 -0.0859935 0.0063933 1.0096118 44 Na 0.9533405 0.0435176 -0.0686571 0.0616072 1.0912950 0.0151715 -0.0859935 -0.0063933 1.0096118 45 Na 0.9530878 0.0566549 -0.0464185 0.0329581 1.1573310 0.0015733 -0.0222641 0.0815475 0.9841887 46 Na 0.9530878 -0.0566549 -0.0464185 -0.0329581 1.1573310 -0.0015733 -0.0222641 -0.0815475 0.9841887 47 Na 0.9530878 0.0566549 -0.0464185 0.0329581 1.1573310 0.0015733 -0.0222641 0.0815475 0.9841887 48 Na 0.9530878 -0.0566549 -0.0464185 -0.0329581 1.1573310 -0.0015733 -0.0222641 -0.0815475 0.9841887 49 Na 0.9802802 0.0720975 0.0130886 0.0989415 1.0768813 -0.0529863 0.0741656 -0.0379362 0.8909495 50 Na 0.9802802 -0.0720975 0.0130886 -0.0989415 1.0768813 0.0529863 0.0741656 0.0379362 0.8909495 51 Na 0.9802802 0.0720975 0.0130886 0.0989415 1.0768813 -0.0529863 0.0741656 -0.0379362 0.8909495 52 Na 0.9802802 -0.0720975 0.0130886 -0.0989415 1.0768813 0.0529863 0.0741656 0.0379362 0.8909495 53 Na 1.0755140 0.0257009 -0.0210036 0.0017663 0.8090299 -0.0117618 -0.0154680 0.0154084 1.0772199 54 Na 1.0755140 -0.0257009 -0.0210036 -0.0017663 0.8090299 0.0117618 -0.0154680 -0.0154084 1.0772199 55 Na 1.0755140 0.0257009 -0.0210036 0.0017663 0.8090299 -0.0117618 -0.0154680 0.0154084 1.0772199 56 Na 1.0755140 -0.0257009 -0.0210036 -0.0017663 0.8090299 0.0117618 -0.0154680 -0.0154084 1.0772199 57 Na 1.0312019 -0.0011199 0.0068179 -0.0241974 0.7763845 -0.0080372 0.0005046 -0.0049225 1.0345726 58 Na 1.0312019 0.0011199 0.0068179 0.0241974 0.7763845 0.0080372 0.0005046 0.0049225 1.0345726 59 Na 1.0312019 -0.0011199 0.0068179 -0.0241974 0.7763845 -0.0080372 0.0005046 -0.0049225 1.0345726 60 Na 0.9168036 0.0674480 -0.0194139 0.0332347 1.1300945 0.0252360 -0.0532381 -0.0381775 0.9566932 61 Ga 2.2772468 0.0370911 0.0543541 -0.1794682 2.2052500 -0.0840847 0.0974559 0.0624967 2.3208571 62 Ga 2.2772468 -0.0370911 0.0543541 0.1794682 2.2052500 0.0840847 0.0974559 -0.0624967 2.3208571 63 Ga 2.2772468 0.0370911 0.0543541 -0.1794682 2.2052500 -0.0840847 0.0974559 0.0624967 2.3208571 64 Ga 2.2772468 -0.0370911 0.0543541 0.1794682 2.2052500 0.0840847 0.0974559 -0.0624967 2.3208571 65 Ga 2.3033570 -0.1125667 0.0157892 0.1209537 2.1147708 0.0354513 0.0450742 -0.0336591 2.3548408 66 Ga 2.3033570 0.1125667 0.0157892 -0.1209537 2.1147708 -0.0354513 0.0450742 0.0336591 2.3548408 67 Ga 2.3033570 -0.1125667 0.0157892 0.1209537 2.1147708 0.0354513 0.0450742 -0.0336591 2.3548408 68 Ga 2.3033570 0.1125667 0.0157892 -0.1209537 2.1147708 -0.0354513 0.0450742 0.0336591 2.3548408 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 3, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 11, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 15, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 73, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 81, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 89, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 121, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 129, 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 06:32:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:32:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.637342000881352 0.000000000000000 0.000000000000000 b 0.000000000000000 10.959220950000001 0.000000000000000 c -3.046662280516149 0.000000000000000 9.555032094510214 Atomic positions (fractional): 1 O 0.17762721509024 0.61838778652024 0.80039139294207 15.999 2 O 0.60278137616046 0.88911647818330 0.12174778771191 15.999 3 O 0.39721862383954 0.38911647818330 0.37825221228809 15.999 4 O 0.39721862383954 0.11088352181670 0.87825221228809 15.999 5 O 0.60278137616046 0.61088352181670 0.62174778771191 15.999 6 O 0.17214162040629 0.88412257080773 0.99701516357781 15.999 7 O 0.82785837959371 0.38412257080773 0.50298483642219 15.999 8 O 0.39408606363617 0.38946478337176 0.06746588347261 15.999 9 O 0.39681050355577 0.79768108945740 0.71650374064208 15.999 10 O 0.60318949644424 0.29768108945740 0.78349625935792 15.999 11 O 0.60318949644424 0.20231891054260 0.28349625935792 15.999 12 O 0.39681050355577 0.70231891054260 0.21650374064208 15.999 13 O 0.04464488883936 0.84755974888612 0.60637459094795 15.999 14 O 0.95535511116064 0.34755974888612 0.89362540905205 15.999 15 O 0.95535511116064 0.15244025111388 0.39362540905205 15.999 16 O 0.04464488883936 0.65244025111388 0.10637459094795 15.999 17 O 0.82237278490976 0.11838778652024 0.69960860705793 15.999 18 O 0.17214162040629 0.61587742919227 0.49701516357781 15.999 19 O 0.17762721509024 0.88161221347976 0.30039139294207 15.999 20 O 0.82237278490976 0.38161221347976 0.19960860705793 15.999 21 O 0.25125991719851 0.32441133151107 0.68352024590828 15.999 22 O 0.74874008280149 0.82441133151107 0.81647975409172 15.999 23 O 0.74874008280149 0.67558866848893 0.31647975409172 15.999 24 O 0.25125991719851 0.17558866848893 0.18352024590828 15.999 25 O 0.39408606363617 0.11053521662824 0.56746588347261 15.999 26 O 0.60591393636382 0.61053521662824 0.93253411652739 15.999 27 O 0.60591393636382 0.88946478337176 0.43253411652739 15.999 28 O 0.82785837959371 0.11587742919227 0.00298483642219 15.999 29 Na 0.00057977444742 0.26853219419257 0.12786268042289 22.990 30 Na 0.83999416954793 0.00404869062508 0.51779296395266 22.990 31 Na 0.16000583045208 0.50404869062508 0.98220703604734 22.990 32 Na 0.16000583045208 0.99595130937492 0.48220703604734 22.990 33 Na 0.83999416954793 0.49595130937492 0.01779296395266 22.990 34 Na 0.38174766209870 0.47464802819193 0.57702714267211 22.990 35 Na 0.61825233790130 0.97464802819193 0.92297285732789 22.990 36 Na 0.61825233790130 0.52535197180807 0.42297285732789 22.990 37 Na 0.60608201739780 0.24001869165685 0.53269378609569 22.990 38 Na 0.39391798260220 0.74001869165684 0.96730621390431 22.990 39 Na 0.39391798260220 0.75998130834316 0.46730621390431 22.990 40 Na 0.60608201739780 0.25998130834316 0.03269378609569 22.990 41 Na 0.75718530933958 0.44601683842103 0.71097779536780 22.990 42 Na 0.24281469066042 0.94601683842103 0.78902220463220 22.990 43 Na 0.24281469066042 0.55398316157897 0.28902220463220 22.990 44 Na 0.75718530933958 0.05398316157897 0.21097779536780 22.990 45 Na 0.58462500916749 0.96098035552070 0.64333622881729 22.990 46 Na 0.41537499083251 0.46098035552070 0.85666377118271 22.990 47 Na 0.41537499083251 0.03901964447930 0.35666377118271 22.990 48 Na 0.58462500916749 0.53901964447930 0.14333622881729 22.990 49 Na 0.06932503523554 0.47189137936651 0.64306560767168 22.990 50 Na 0.93067496476445 0.97189137936651 0.85693439232832 22.990 51 Na 0.93067496476445 0.52810862063349 0.35693439232832 22.990 52 Na 0.06932503523554 0.02810862063349 0.14306560767168 22.990 53 Na 0.78670230423958 0.74927046077822 0.57017557568121 22.990 54 Na 0.21329769576042 0.24927046077822 0.92982442431879 22.990 55 Na 0.21329769576042 0.25072953922178 0.42982442431879 22.990 56 Na 0.78670230423958 0.75072953922178 0.07017557568121 22.990 57 Na 0.00057977444742 0.23146780580743 0.62786268042289 22.990 58 Na 0.99942022555258 0.73146780580743 0.87213731957711 22.990 59 Na 0.99942022555258 0.76853219419257 0.37213731957711 22.990 60 Na 0.38174766209870 0.02535197180807 0.07702714267211 22.990 61 Ga 0.80776871606504 0.28449880323140 0.34663546607683 69.723 62 Ga 0.19223128393496 0.78449880323140 0.15336453392317 69.723 63 Ga 0.19223128393496 0.71550119676860 0.65336453392317 69.723 64 Ga 0.80776871606504 0.21550119676860 0.84663546607683 69.723 65 Ga 0.40700292440277 0.29780232894929 0.22600714768134 69.723 66 Ga 0.59299707559723 0.79780232894929 0.27399285231866 69.723 67 Ga 0.59299707559723 0.70219767105071 0.77399285231866 69.723 68 Ga 0.40700292440277 0.20219767105071 0.72600714768134 69.723 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.274684001762704 0.000000000000000 0.000000000000000 b 0.000000000000000 10.959220950000001 0.000000000000000 c -3.046662280516149 0.000000000000000 9.555032094510214 Atomic positions (fractional): 1 O 0.08881360754512 0.61838778652024 0.80039139294207 15.999 > 1 2 O 0.58881360754512 0.61838778652024 0.80039139294207 15.999 > 1 3 O 0.30139068808023 0.88911647818330 0.12174778771191 15.999 > 3 4 O 0.80139068808023 0.88911647818330 0.12174778771191 15.999 > 3 5 O 0.19860931191977 0.38911647818330 0.37825221228809 15.999 > 5 6 O 0.69860931191977 0.38911647818330 0.37825221228809 15.999 > 5 7 O 0.19860931191977 0.11088352181670 0.87825221228809 15.999 > 7 8 O 0.69860931191977 0.11088352181670 0.87825221228809 15.999 > 7 9 O 0.30139068808023 0.61088352181670 0.62174778771191 15.999 > 9 10 O 0.80139068808023 0.61088352181670 0.62174778771191 15.999 > 9 11 O 0.08607081020315 0.88412257080773 0.99701516357781 15.999 > 11 12 O 0.58607081020315 0.88412257080773 0.99701516357781 15.999 > 11 13 O 0.41392918979685 0.38412257080773 0.50298483642219 15.999 > 13 14 O 0.91392918979685 0.38412257080773 0.50298483642219 15.999 > 13 15 O 0.19704303181809 0.38946478337176 0.06746588347261 15.999 > 15 16 O 0.69704303181809 0.38946478337176 0.06746588347261 15.999 > 15 17 O 0.19840525177788 0.79768108945740 0.71650374064208 15.999 > 17 18 O 0.69840525177788 0.79768108945740 0.71650374064208 15.999 > 17 19 O 0.30159474822212 0.29768108945740 0.78349625935792 15.999 > 19 20 O 0.80159474822212 0.29768108945740 0.78349625935792 15.999 > 19 21 O 0.30159474822212 0.20231891054260 0.28349625935792 15.999 > 21 22 O 0.80159474822212 0.20231891054260 0.28349625935792 15.999 > 21 23 O 0.19840525177788 0.70231891054260 0.21650374064208 15.999 > 23 24 O 0.69840525177788 0.70231891054260 0.21650374064208 15.999 > 23 25 O 0.02232244441968 0.84755974888612 0.60637459094795 15.999 > 25 26 O 0.52232244441968 0.84755974888612 0.60637459094795 15.999 > 25 27 O 0.47767755558032 0.34755974888612 0.89362540905205 15.999 > 27 28 O 0.97767755558032 0.34755974888612 0.89362540905205 15.999 > 27 29 O 0.47767755558032 0.15244025111388 0.39362540905205 15.999 > 29 30 O 0.97767755558032 0.15244025111388 0.39362540905205 15.999 > 29 31 O 0.02232244441968 0.65244025111388 0.10637459094795 15.999 > 31 32 O 0.52232244441968 0.65244025111388 0.10637459094795 15.999 > 31 33 O 0.41118639245488 0.11838778652024 0.69960860705793 15.999 > 33 34 O 0.91118639245488 0.11838778652024 0.69960860705793 15.999 > 33 35 O 0.08607081020315 0.61587742919227 0.49701516357781 15.999 > 35 36 O 0.58607081020315 0.61587742919227 0.49701516357781 15.999 > 35 37 O 0.08881360754512 0.88161221347976 0.30039139294207 15.999 > 37 38 O 0.58881360754512 0.88161221347976 0.30039139294207 15.999 > 37 39 O 0.41118639245488 0.38161221347976 0.19960860705793 15.999 > 39 40 O 0.91118639245488 0.38161221347976 0.19960860705793 15.999 > 39 41 O 0.12562995859925 0.32441133151107 0.68352024590828 15.999 > 41 42 O 0.62562995859925 0.32441133151107 0.68352024590828 15.999 > 41 43 O 0.37437004140075 0.82441133151107 0.81647975409172 15.999 > 43 44 O 0.87437004140075 0.82441133151107 0.81647975409172 15.999 > 43 45 O 0.37437004140075 0.67558866848893 0.31647975409172 15.999 > 45 46 O 0.87437004140075 0.67558866848893 0.31647975409172 15.999 > 45 47 O 0.12562995859925 0.17558866848893 0.18352024590828 15.999 > 47 48 O 0.62562995859925 0.17558866848893 0.18352024590828 15.999 > 47 49 O 0.19704303181809 0.11053521662824 0.56746588347261 15.999 > 49 50 O 0.69704303181809 0.11053521662824 0.56746588347261 15.999 > 49 51 O 0.30295696818191 0.61053521662824 0.93253411652739 15.999 > 51 52 O 0.80295696818191 0.61053521662824 0.93253411652739 15.999 > 51 53 O 0.30295696818191 0.88946478337176 0.43253411652739 15.999 > 53 54 O 0.80295696818191 0.88946478337176 0.43253411652739 15.999 > 53 55 O 0.41392918979685 0.11587742919227 0.00298483642219 15.999 > 55 56 O 0.91392918979685 0.11587742919227 0.00298483642219 15.999 > 55 57 Na 0.00028988722371 0.26853219419257 0.12786268042289 22.990 > 57 58 Na 0.50028988722371 0.26853219419257 0.12786268042289 22.990 > 57 59 Na 0.41999708477396 0.00404869062508 0.51779296395266 22.990 > 59 60 Na 0.91999708477396 0.00404869062508 0.51779296395266 22.990 > 59 61 Na 0.08000291522604 0.50404869062508 0.98220703604734 22.990 > 61 62 Na 0.58000291522604 0.50404869062508 0.98220703604734 22.990 > 61 63 Na 0.08000291522604 0.99595130937492 0.48220703604734 22.990 > 63 64 Na 0.58000291522604 0.99595130937492 0.48220703604734 22.990 > 63 65 Na 0.41999708477396 0.49595130937492 0.01779296395266 22.990 > 65 66 Na 0.91999708477396 0.49595130937492 0.01779296395266 22.990 > 65 67 Na 0.19087383104935 0.47464802819193 0.57702714267211 22.990 > 67 68 Na 0.69087383104935 0.47464802819193 0.57702714267211 22.990 > 67 69 Na 0.30912616895065 0.97464802819193 0.92297285732789 22.990 > 69 70 Na 0.80912616895065 0.97464802819193 0.92297285732789 22.990 > 69 71 Na 0.30912616895065 0.52535197180807 0.42297285732789 22.990 > 71 72 Na 0.80912616895065 0.52535197180807 0.42297285732789 22.990 > 71 73 Na 0.30304100869890 0.24001869165685 0.53269378609569 22.990 > 73 74 Na 0.80304100869890 0.24001869165685 0.53269378609569 22.990 > 73 75 Na 0.19695899130110 0.74001869165684 0.96730621390431 22.990 > 75 76 Na 0.69695899130110 0.74001869165684 0.96730621390431 22.990 > 75 77 Na 0.19695899130110 0.75998130834316 0.46730621390431 22.990 > 77 78 Na 0.69695899130110 0.75998130834316 0.46730621390431 22.990 > 77 79 Na 0.30304100869890 0.25998130834316 0.03269378609569 22.990 > 79 80 Na 0.80304100869890 0.25998130834316 0.03269378609569 22.990 > 79 81 Na 0.37859265466979 0.44601683842103 0.71097779536780 22.990 > 81 82 Na 0.87859265466979 0.44601683842103 0.71097779536780 22.990 > 81 83 Na 0.12140734533021 0.94601683842103 0.78902220463220 22.990 > 83 84 Na 0.62140734533021 0.94601683842103 0.78902220463220 22.990 > 83 85 Na 0.12140734533021 0.55398316157897 0.28902220463220 22.990 > 85 86 Na 0.62140734533021 0.55398316157897 0.28902220463220 22.990 > 85 87 Na 0.37859265466979 0.05398316157897 0.21097779536780 22.990 > 87 88 Na 0.87859265466979 0.05398316157897 0.21097779536780 22.990 > 87 89 Na 0.29231250458374 0.96098035552070 0.64333622881729 22.990 > 89 90 Na 0.79231250458374 0.96098035552070 0.64333622881729 22.990 > 89 91 Na 0.20768749541626 0.46098035552070 0.85666377118271 22.990 > 91 92 Na 0.70768749541626 0.46098035552070 0.85666377118271 22.990 > 91 93 Na 0.20768749541626 0.03901964447930 0.35666377118271 22.990 > 93 94 Na 0.70768749541626 0.03901964447930 0.35666377118271 22.990 > 93 95 Na 0.29231250458374 0.53901964447930 0.14333622881729 22.990 > 95 96 Na 0.79231250458374 0.53901964447930 0.14333622881729 22.990 > 95 97 Na 0.03466251761777 0.47189137936651 0.64306560767168 22.990 > 97 98 Na 0.53466251761777 0.47189137936651 0.64306560767168 22.990 > 97 99 Na 0.46533748238223 0.97189137936651 0.85693439232832 22.990 > 99 100 Na 0.96533748238223 0.97189137936651 0.85693439232832 22.990 > 99 101 Na 0.46533748238223 0.52810862063349 0.35693439232832 22.990 > 101 102 Na 0.96533748238223 0.52810862063349 0.35693439232832 22.990 > 101 103 Na 0.03466251761777 0.02810862063349 0.14306560767168 22.990 > 103 104 Na 0.53466251761777 0.02810862063349 0.14306560767168 22.990 > 103 105 Na 0.39335115211979 0.74927046077822 0.57017557568121 22.990 > 105 106 Na 0.89335115211979 0.74927046077822 0.57017557568121 22.990 > 105 107 Na 0.10664884788021 0.24927046077822 0.92982442431879 22.990 > 107 108 Na 0.60664884788021 0.24927046077822 0.92982442431879 22.990 > 107 109 Na 0.10664884788021 0.25072953922178 0.42982442431879 22.990 > 109 110 Na 0.60664884788021 0.25072953922178 0.42982442431879 22.990 > 109 111 Na 0.39335115211979 0.75072953922178 0.07017557568121 22.990 > 111 112 Na 0.89335115211979 0.75072953922178 0.07017557568121 22.990 > 111 113 Na 0.00028988722371 0.23146780580743 0.62786268042289 22.990 > 113 114 Na 0.50028988722371 0.23146780580743 0.62786268042289 22.990 > 113 115 Na 0.49971011277629 0.73146780580743 0.87213731957711 22.990 > 115 116 Na 0.99971011277629 0.73146780580743 0.87213731957711 22.990 > 115 117 Na 0.49971011277629 0.76853219419257 0.37213731957711 22.990 > 117 118 Na 0.99971011277629 0.76853219419257 0.37213731957711 22.990 > 117 119 Na 0.19087383104935 0.02535197180807 0.07702714267211 22.990 > 119 120 Na 0.69087383104935 0.02535197180807 0.07702714267211 22.990 > 119 121 Ga 0.40388435803252 0.28449880323140 0.34663546607683 69.723 > 121 122 Ga 0.90388435803252 0.28449880323140 0.34663546607683 69.723 > 121 123 Ga 0.09611564196748 0.78449880323140 0.15336453392317 69.723 > 123 124 Ga 0.59611564196748 0.78449880323140 0.15336453392317 69.723 > 123 125 Ga 0.09611564196748 0.71550119676860 0.65336453392317 69.723 > 125 126 Ga 0.59611564196748 0.71550119676860 0.65336453392317 69.723 > 125 127 Ga 0.40388435803252 0.21550119676860 0.84663546607683 69.723 > 127 128 Ga 0.90388435803252 0.21550119676860 0.84663546607683 69.723 > 127 129 Ga 0.20350146220138 0.29780232894929 0.22600714768134 69.723 > 129 130 Ga 0.70350146220138 0.29780232894929 0.22600714768134 69.723 > 129 131 Ga 0.29649853779862 0.79780232894929 0.27399285231866 69.723 > 131 132 Ga 0.79649853779862 0.79780232894929 0.27399285231866 69.723 > 131 133 Ga 0.29649853779862 0.70219767105071 0.77399285231866 69.723 > 133 134 Ga 0.79649853779862 0.70219767105071 0.77399285231866 69.723 > 133 135 Ga 0.20350146220138 0.20219767105071 0.72600714768134 69.723 > 135 136 Ga 0.70350146220138 0.20219767105071 0.72600714768134 69.723 > 135 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.1333953 0.0000000 -0.0002027 0.0000000 3.0491202 0.0000000 -0.0001975 0.0000000 3.1174125 -------------------------- Born effective charges -------------------------- 1 O -1.6122966 -0.1634939 0.2470985 -0.1057615 -1.7634873 0.3119749 0.1821659 0.2964019 -1.9420866 2 O -1.5628941 -0.1568698 0.2272070 -0.1166077 -1.7348060 0.3124620 0.2306483 0.2987318 -1.9861334 3 O -1.5628941 0.1568698 0.2272070 0.1166077 -1.7348060 -0.3124620 0.2306483 -0.2987318 -1.9861334 4 O -1.5628941 -0.1568698 0.2272070 -0.1166077 -1.7348060 0.3124620 0.2306483 0.2987318 -1.9861334 5 O -1.5628941 0.1568698 0.2272070 0.1166077 -1.7348060 -0.3124620 0.2306483 -0.2987318 -1.9861334 6 O -1.5435536 -0.0740277 0.1222886 -0.0667835 -1.7460342 0.2760642 0.0794974 0.3336905 -2.0289186 7 O -1.5435536 0.0740277 0.1222886 0.0667835 -1.7460342 -0.2760642 0.0794974 -0.3336905 -2.0289186 8 O -1.5036651 -0.0314279 0.1234603 -0.0812152 -1.7151671 0.3074832 0.1158455 0.3316191 -2.0767040 9 O -2.4486869 0.0218640 -0.3893421 0.0174714 -1.6088976 -0.0001666 -0.3567933 -0.0109415 -1.5238582 10 O -2.4486869 -0.0218640 -0.3893421 -0.0174714 -1.6088976 0.0001666 -0.3567933 0.0109415 -1.5238582 11 O -2.4486869 0.0218640 -0.3893421 0.0174714 -1.6088976 -0.0001666 -0.3567933 -0.0109415 -1.5238582 12 O -2.4486869 -0.0218640 -0.3893421 -0.0174714 -1.6088976 0.0001666 -0.3567933 0.0109415 -1.5238582 13 O -1.8989485 0.4628494 -0.1329750 0.4076736 -1.9595129 0.2085306 -0.1152335 0.1493697 -1.6347054 14 O -1.8989485 -0.4628494 -0.1329750 -0.4076736 -1.9595129 -0.2085306 -0.1152335 -0.1493697 -1.6347054 15 O -1.8989485 0.4628494 -0.1329750 0.4076736 -1.9595129 0.2085306 -0.1152335 0.1493697 -1.6347054 16 O -1.8989485 -0.4628494 -0.1329750 -0.4076736 -1.9595129 -0.2085306 -0.1152335 -0.1493697 -1.6347054 17 O -1.6122966 0.1634939 0.2470985 0.1057615 -1.7634873 -0.3119749 0.1821659 -0.2964019 -1.9420866 18 O -1.5435536 0.0740277 0.1222886 0.0667835 -1.7460342 -0.2760642 0.0794974 -0.3336905 -2.0289186 19 O -1.6122966 0.1634939 0.2470985 0.1057615 -1.7634873 -0.3119749 0.1821659 -0.2964019 -1.9420866 20 O -1.6122966 -0.1634939 0.2470985 -0.1057615 -1.7634873 0.3119749 0.1821659 0.2964019 -1.9420866 21 O -1.8907682 0.3749061 -0.1108216 0.3666448 -1.8364882 0.1396739 -0.1309209 0.1312225 -1.5967082 22 O -1.8907682 -0.3749061 -0.1108216 -0.3666448 -1.8364882 -0.1396739 -0.1309209 -0.1312225 -1.5967082 23 O -1.8907682 0.3749061 -0.1108216 0.3666448 -1.8364882 0.1396739 -0.1309209 0.1312225 -1.5967082 24 O -1.8907682 -0.3749061 -0.1108216 -0.3666448 -1.8364882 -0.1396739 -0.1309209 -0.1312225 -1.5967082 25 O -1.5036651 0.0314279 0.1234603 0.0812152 -1.7151671 -0.3074832 0.1158455 -0.3316191 -2.0767040 26 O -1.5036651 -0.0314279 0.1234603 -0.0812152 -1.7151671 0.3074832 0.1158455 0.3316191 -2.0767040 27 O -1.5036651 0.0314279 0.1234603 0.0812152 -1.7151671 -0.3074832 0.1158455 -0.3316191 -2.0767040 28 O -1.5435536 -0.0740277 0.1222886 -0.0667835 -1.7460342 0.2760642 0.0794974 0.3336905 -2.0289186 29 Na 1.0312019 0.0011199 0.0068179 0.0241974 0.7763845 0.0080372 0.0005046 0.0049225 1.0345726 30 Na 0.9607226 -0.0529828 0.0194108 -0.0238459 1.1578253 -0.0668254 0.0165634 -0.0166307 1.0108568 31 Na 0.9607226 0.0529828 0.0194108 0.0238459 1.1578253 0.0668254 0.0165634 0.0166307 1.0108568 32 Na 0.9607226 -0.0529828 0.0194108 -0.0238459 1.1578253 -0.0668254 0.0165634 -0.0166307 1.0108568 33 Na 0.9607226 0.0529828 0.0194108 0.0238459 1.1578253 0.0668254 0.0165634 0.0166307 1.0108568 34 Na 0.9168036 -0.0674480 -0.0194139 -0.0332347 1.1300945 -0.0252360 -0.0532381 0.0381775 0.9566932 35 Na 0.9168036 0.0674480 -0.0194139 0.0332347 1.1300945 0.0252360 -0.0532381 -0.0381775 0.9566932 36 Na 0.9168036 -0.0674480 -0.0194139 -0.0332347 1.1300945 -0.0252360 -0.0532381 0.0381775 0.9566932 37 Na 1.0092588 0.0309000 -0.0408836 0.0350534 0.8455311 -0.1208978 -0.0620094 -0.1436025 1.1493242 38 Na 1.0092588 -0.0309000 -0.0408836 -0.0350534 0.8455311 0.1208978 -0.0620094 0.1436025 1.1493242 39 Na 1.0092588 0.0309000 -0.0408836 0.0350534 0.8455311 -0.1208978 -0.0620094 -0.1436025 1.1493242 40 Na 1.0092588 -0.0309000 -0.0408836 -0.0350534 0.8455311 0.1208978 -0.0620094 0.1436025 1.1493242 41 Na 0.9533405 -0.0435176 -0.0686571 -0.0616072 1.0912950 -0.0151715 -0.0859935 0.0063933 1.0096118 42 Na 0.9533405 0.0435176 -0.0686571 0.0616072 1.0912950 0.0151715 -0.0859935 -0.0063933 1.0096118 43 Na 0.9533405 -0.0435176 -0.0686571 -0.0616072 1.0912950 -0.0151715 -0.0859935 0.0063933 1.0096118 44 Na 0.9533405 0.0435176 -0.0686571 0.0616072 1.0912950 0.0151715 -0.0859935 -0.0063933 1.0096118 45 Na 0.9530878 0.0566549 -0.0464185 0.0329581 1.1573310 0.0015733 -0.0222641 0.0815475 0.9841887 46 Na 0.9530878 -0.0566549 -0.0464185 -0.0329581 1.1573310 -0.0015733 -0.0222641 -0.0815475 0.9841887 47 Na 0.9530878 0.0566549 -0.0464185 0.0329581 1.1573310 0.0015733 -0.0222641 0.0815475 0.9841887 48 Na 0.9530878 -0.0566549 -0.0464185 -0.0329581 1.1573310 -0.0015733 -0.0222641 -0.0815475 0.9841887 49 Na 0.9802802 0.0720975 0.0130886 0.0989415 1.0768813 -0.0529863 0.0741656 -0.0379362 0.8909495 50 Na 0.9802802 -0.0720975 0.0130886 -0.0989415 1.0768813 0.0529863 0.0741656 0.0379362 0.8909495 51 Na 0.9802802 0.0720975 0.0130886 0.0989415 1.0768813 -0.0529863 0.0741656 -0.0379362 0.8909495 52 Na 0.9802802 -0.0720975 0.0130886 -0.0989415 1.0768813 0.0529863 0.0741656 0.0379362 0.8909495 53 Na 1.0755140 0.0257009 -0.0210036 0.0017663 0.8090299 -0.0117618 -0.0154680 0.0154084 1.0772199 54 Na 1.0755140 -0.0257009 -0.0210036 -0.0017663 0.8090299 0.0117618 -0.0154680 -0.0154084 1.0772199 55 Na 1.0755140 0.0257009 -0.0210036 0.0017663 0.8090299 -0.0117618 -0.0154680 0.0154084 1.0772199 56 Na 1.0755140 -0.0257009 -0.0210036 -0.0017663 0.8090299 0.0117618 -0.0154680 -0.0154084 1.0772199 57 Na 1.0312019 -0.0011199 0.0068179 -0.0241974 0.7763845 -0.0080372 0.0005046 -0.0049225 1.0345726 58 Na 1.0312019 0.0011199 0.0068179 0.0241974 0.7763845 0.0080372 0.0005046 0.0049225 1.0345726 59 Na 1.0312019 -0.0011199 0.0068179 -0.0241974 0.7763845 -0.0080372 0.0005046 -0.0049225 1.0345726 60 Na 0.9168036 0.0674480 -0.0194139 0.0332347 1.1300945 0.0252360 -0.0532381 -0.0381775 0.9566932 61 Ga 2.2772468 0.0370911 0.0543541 -0.1794682 2.2052500 -0.0840847 0.0974559 0.0624967 2.3208571 62 Ga 2.2772468 -0.0370911 0.0543541 0.1794682 2.2052500 0.0840847 0.0974559 -0.0624967 2.3208571 63 Ga 2.2772468 0.0370911 0.0543541 -0.1794682 2.2052500 -0.0840847 0.0974559 0.0624967 2.3208571 64 Ga 2.2772468 -0.0370911 0.0543541 0.1794682 2.2052500 0.0840847 0.0974559 -0.0624967 2.3208571 65 Ga 2.3033570 -0.1125667 0.0157892 0.1209537 2.1147708 0.0354513 0.0450742 -0.0336591 2.3548408 66 Ga 2.3033570 0.1125667 0.0157892 -0.1209537 2.1147708 -0.0354513 0.0450742 0.0336591 2.3548408 67 Ga 2.3033570 -0.1125667 0.0157892 0.1209537 2.1147708 0.0354513 0.0450742 -0.0336591 2.3548408 68 Ga 2.3033570 0.1125667 0.0157892 -0.1209537 2.1147708 -0.0354513 0.0450742 0.0336591 2.3548408 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 5 5 ] 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: 0.43, Number of G-points: 305, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 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 1.843 ( 0.000 0.000 0.000) 0.000 1.904 ( 0.000 0.000 0.000) 0.000 1.929 ( 0.000 0.000 0.000) 0.000 2.050 ( 0.000 0.000 0.000) 0.000 2.350 ( 0.000 0.000 0.000) 0.000 2.365 ( 0.000 0.000 0.000) 0.000 2.613 ( 0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 0.000) 0.000 2.708 ( 0.000 0.000 0.000) 0.000 2.785 ( 0.000 0.000 0.000) 0.000 2.912 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.046 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.218 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 0.000 0.000) 0.000 3.249 ( 0.000 0.000 0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.366 ( 0.000 0.000 0.000) 0.000 3.445 ( 0.000 0.000 0.000) 0.000 3.505 ( 0.000 0.000 0.000) 0.000 3.568 ( 0.000 0.000 0.000) 0.000 3.576 ( 0.000 0.000 0.000) 0.000 3.583 ( 0.000 0.000 0.000) 0.000 3.654 ( 0.000 0.000 0.000) 0.000 3.745 ( 0.000 0.000 0.000) 0.000 3.755 ( 0.000 0.000 0.000) 0.000 3.794 ( 0.000 0.000 0.000) 0.000 3.868 ( 0.000 0.000 0.000) 0.000 3.907 ( 0.000 0.000 0.000) 0.000 4.061 ( 0.000 0.000 0.000) 0.000 4.063 ( 0.000 0.000 0.000) 0.000 4.105 ( 0.000 0.000 0.000) 0.000 4.121 ( 0.000 0.000 0.000) 0.000 4.137 ( 0.000 0.000 0.000) 0.000 4.238 ( 0.000 0.000 0.000) 0.000 4.263 ( 0.000 0.000 0.000) 0.000 4.359 ( 0.000 0.000 0.000) 0.000 4.397 ( 0.000 0.000 0.000) 0.000 4.421 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.455 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.612 ( 0.000 0.000 0.000) 0.000 4.633 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.738 ( 0.000 0.000 0.000) 0.000 4.805 ( 0.000 0.000 0.000) 0.000 4.829 ( 0.000 0.000 0.000) 0.000 4.871 ( 0.000 0.000 0.000) 0.000 4.918 ( 0.000 0.000 0.000) 0.000 5.008 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 0.000) 0.000 5.170 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 5.248 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 5.490 ( 0.000 0.000 0.000) 0.000 5.492 ( 0.000 0.000 0.000) 0.000 5.552 ( 0.000 0.000 0.000) 0.000 5.589 ( 0.000 0.000 0.000) 0.000 5.654 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.701 ( 0.000 0.000 0.000) 0.000 5.741 ( 0.000 0.000 0.000) 0.000 5.754 ( 0.000 0.000 0.000) 0.000 5.763 ( 0.000 0.000 0.000) 0.000 5.800 ( 0.000 0.000 0.000) 0.000 5.803 ( 0.000 0.000 0.000) 0.000 5.823 ( 0.000 0.000 0.000) 0.000 6.004 ( 0.000 0.000 0.000) 0.000 6.006 ( 0.000 0.000 0.000) 0.000 6.060 ( 0.000 0.000 0.000) 0.000 6.098 ( 0.000 0.000 0.000) 0.000 6.112 ( 0.000 0.000 0.000) 0.000 6.201 ( 0.000 0.000 0.000) 0.000 6.226 ( 0.000 0.000 0.000) 0.000 6.281 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.420 ( 0.000 0.000 0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 6.470 ( 0.000 0.000 0.000) 0.000 6.495 ( 0.000 0.000 0.000) 0.000 6.536 ( 0.000 0.000 0.000) 0.000 6.607 ( 0.000 0.000 0.000) 0.000 6.691 ( 0.000 0.000 0.000) 0.000 6.735 ( 0.000 0.000 0.000) 0.000 6.779 ( 0.000 0.000 0.000) 0.000 6.790 ( 0.000 0.000 0.000) 0.000 6.839 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 7.030 ( 0.000 0.000 0.000) 0.000 7.040 ( 0.000 0.000 0.000) 0.000 7.079 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.103 ( 0.000 0.000 0.000) 0.000 7.183 ( 0.000 0.000 0.000) 0.000 7.223 ( 0.000 0.000 0.000) 0.000 7.275 ( 0.000 0.000 0.000) 0.000 7.324 ( 0.000 0.000 0.000) 0.000 7.404 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.432 ( 0.000 0.000 0.000) 0.000 7.487 ( 0.000 0.000 0.000) 0.000 7.518 ( 0.000 0.000 0.000) 0.000 7.565 ( 0.000 0.000 0.000) 0.000 7.581 ( 0.000 0.000 0.000) 0.000 7.656 ( 0.000 0.000 0.000) 0.000 7.681 ( 0.000 0.000 0.000) 0.000 7.711 ( 0.000 0.000 0.000) 0.000 7.828 ( 0.000 0.000 0.000) 0.000 7.844 ( 0.000 0.000 0.000) 0.000 7.876 ( 0.000 0.000 0.000) 0.000 7.941 ( 0.000 0.000 0.000) 0.000 7.951 ( 0.000 0.000 0.000) 0.000 8.001 ( 0.000 0.000 0.000) 0.000 8.148 ( 0.000 0.000 0.000) 0.000 8.181 ( 0.000 0.000 0.000) 0.000 8.216 ( 0.000 0.000 0.000) 0.000 8.287 ( 0.000 0.000 0.000) 0.000 8.297 ( 0.000 0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.453 ( 0.000 0.000 0.000) 0.000 8.516 ( 0.000 0.000 0.000) 0.000 8.524 ( 0.000 0.000 0.000) 0.000 8.644 ( 0.000 0.000 0.000) 0.000 8.708 ( 0.000 0.000 0.000) 0.000 8.749 ( 0.000 0.000 0.000) 0.000 8.788 ( 0.000 0.000 0.000) 0.000 8.843 ( 0.000 0.000 0.000) 0.000 8.886 ( 0.000 0.000 0.000) 0.000 9.106 ( 0.000 0.000 0.000) 0.000 9.150 ( 0.000 0.000 0.000) 0.000 9.201 ( 0.000 0.000 0.000) 0.000 9.233 ( 0.000 0.000 0.000) 0.000 9.275 ( 0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 9.461 ( 0.000 0.000 0.000) 0.000 9.472 ( 0.000 0.000 0.000) 0.000 9.598 ( 0.000 0.000 0.000) 0.000 9.642 ( 0.000 0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 9.851 ( 0.000 0.000 0.000) 0.000 9.931 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 9.946 ( 0.000 0.000 0.000) 0.000 10.043 ( 0.000 0.000 0.000) 0.000 10.084 ( 0.000 0.000 0.000) 0.000 10.092 ( 0.000 0.000 0.000) 0.000 10.348 ( 0.000 0.000 0.000) 0.000 10.570 ( 0.000 0.000 0.000) 0.000 10.622 ( 0.000 0.000 0.000) 0.000 10.748 ( 0.000 0.000 0.000) 0.000 10.890 ( 0.000 0.000 0.000) 0.000 10.934 ( 0.000 0.000 0.000) 0.000 10.963 ( 0.000 0.000 0.000) 0.000 11.116 ( 0.000 0.000 0.000) 0.000 11.121 ( 0.000 0.000 0.000) 0.000 11.341 ( 0.000 0.000 0.000) 0.000 11.387 ( 0.000 0.000 0.000) 0.000 11.471 ( 0.000 0.000 0.000) 0.000 11.553 ( 0.000 0.000 0.000) 0.000 11.721 ( 0.000 0.000 0.000) 0.000 11.894 ( 0.000 0.000 0.000) 0.000 11.978 ( 0.000 0.000 0.000) 0.000 12.549 ( 0.000 0.000 0.000) 0.000 12.882 ( 0.000 0.000 0.000) 0.000 13.197 ( 0.000 0.000 0.000) 0.000 13.440 ( 0.000 0.000 0.000) 0.000 13.843 ( 0.000 0.000 0.000) 0.000 15.042 ( 0.000 0.000 0.000) 0.000 15.133 ( 0.000 0.000 0.000) 0.000 15.620 ( 0.000 0.000 0.000) 0.000 15.697 ( 0.000 0.000 0.000) 0.000 16.158 ( 0.000 0.000 0.000) 0.000 16.304 ( 0.000 0.000 0.000) 0.000 16.361 ( 0.000 0.000 0.000) 0.000 16.404 ( 0.000 0.000 0.000) 0.000 16.886 ( 0.000 0.000 0.000) 0.000 16.894 ( 0.000 0.000 0.000) 0.000 17.119 ( 0.000 0.000 0.000) 0.000 17.211 ( 0.000 0.000 0.000) 0.000 17.395 ( 0.000 0.000 0.000) 0.000 17.536 ( 0.000 0.000 0.000) 0.000 17.723 ( 0.000 0.000 0.000) 0.000 17.905 ( 0.000 0.000 0.000) 0.000 18.154 ( 0.000 0.000 0.000) 0.000 18.157 ( 0.000 0.000 0.000) 0.000 18.333 ( 0.000 0.000 0.000) 0.000 18.417 ( 0.000 0.000 0.000) 0.000 18.432 ( 0.000 0.000 0.000) 0.000 18.589 ( 0.000 0.000 0.000) 0.000 18.851 ( 0.000 0.000 0.000) 0.000 19.242 ( 0.000 0.000 0.000) 0.000 19.429 ( 0.000 0.000 0.000) 0.000 19.431 ( 0.000 0.000 0.000) 0.000 19.434 ( 0.000 0.000 0.000) 0.000 19.486 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 26.009 0.000 14.690) 29.870 0.609 ( 28.590 0.000 8.198) 29.742 1.191 ( 54.183 0.000 16.707) 56.700 1.899 ( 5.321 0.000 -3.267) 6.244 1.956 ( 1.876 0.000 12.326) 12.468 2.026 ( 8.929 0.000 0.690) 8.956 2.218 ( 11.597 0.000 -1.552) 11.700 2.362 ( 1.477 0.000 -3.163) 3.490 2.439 ( 4.656 0.000 0.320) 4.667 2.524 ( -5.639 0.000 -0.037) 5.639 2.691 ( 0.564 0.000 1.554) 1.653 2.719 ( 0.302 0.000 0.473) 0.561 2.845 ( 5.175 0.000 -0.232) 5.180 2.889 ( -0.905 0.000 -3.393) 3.512 2.932 ( -6.041 0.000 -7.655) 9.752 3.069 ( 0.470 0.000 -2.261) 2.309 3.080 ( -4.185 0.000 2.745) 5.005 3.168 ( -1.401 0.000 -4.906) 5.102 3.175 ( 0.999 0.000 -11.472) 11.516 3.349 ( -9.470 0.000 6.732) 11.619 3.353 ( 3.738 0.000 -0.756) 3.813 3.366 ( 1.995 0.000 1.004) 2.233 3.378 ( -8.649 0.000 -6.678) 10.928 3.456 ( 4.531 0.000 5.615) 7.215 3.503 ( 1.255 0.000 -5.666) 5.803 3.583 ( -0.664 0.000 0.274) 0.718 3.612 ( 3.817 0.000 1.016) 3.949 3.709 ( -1.509 0.000 1.467) 2.105 3.710 ( 1.186 0.000 6.304) 6.414 3.775 ( -4.148 0.000 -0.689) 4.205 3.851 ( 2.105 0.000 5.483) 5.873 3.911 ( 1.494 0.000 0.407) 1.548 3.962 ( -0.169 0.000 -5.962) 5.964 4.007 ( -6.427 0.000 1.015) 6.506 4.018 ( 0.266 0.000 3.954) 3.963 4.075 ( -0.444 0.000 -8.611) 8.623 4.116 ( -2.406 0.000 1.231) 2.702 4.205 ( -2.150 0.000 3.473) 4.085 4.217 ( -3.523 0.000 -14.103) 14.537 4.227 ( -4.562 0.000 2.535) 5.219 4.261 ( 3.036 0.000 -4.885) 5.752 4.301 ( -4.060 0.000 8.343) 9.278 4.402 ( -1.330 0.000 -0.532) 1.433 4.420 ( -5.881 0.000 -3.026) 6.614 4.426 ( -2.059 0.000 0.698) 2.174 4.464 ( -2.453 0.000 7.057) 7.471 4.583 ( -2.948 0.000 0.624) 3.014 4.591 ( 2.929 0.000 2.785) 4.042 4.641 ( 2.171 0.000 -0.656) 2.268 4.767 ( 4.016 0.000 0.827) 4.100 4.771 ( 0.856 0.000 -0.949) 1.278 4.831 ( -1.448 0.000 -8.442) 8.565 4.843 ( 1.015 0.000 -0.360) 1.077 4.865 ( 2.082 0.000 1.481) 2.555 5.010 ( 2.578 0.000 -1.406) 2.936 5.057 ( 5.657 0.000 11.325) 12.659 5.074 ( -2.698 0.000 -1.542) 3.107 5.116 ( 0.310 0.000 -11.235) 11.239 5.124 ( -3.741 0.000 2.314) 4.399 5.255 ( -3.139 0.000 -2.029) 3.738 5.280 ( 1.941 0.000 5.594) 5.921 5.302 ( -4.897 0.000 4.036) 6.346 5.407 ( -2.328 0.000 -5.177) 5.676 5.426 ( 1.690 0.000 0.771) 1.858 5.471 ( -5.302 0.000 -1.762) 5.587 5.524 ( 0.212 0.000 2.025) 2.036 5.538 ( -5.415 0.000 1.627) 5.654 5.575 ( -5.287 0.000 -4.002) 6.631 5.673 ( -5.599 0.000 -5.671) 7.970 5.692 ( -3.921 0.000 2.375) 4.584 5.697 ( 2.567 0.000 -0.664) 2.651 5.733 ( -4.846 0.000 3.395) 5.917 5.774 ( 0.915 0.000 4.068) 4.170 5.837 ( 7.774 0.000 -1.279) 7.879 5.867 ( -0.616 0.000 -0.116) 0.627 5.870 ( -9.198 0.000 -4.221) 10.120 5.946 ( 4.928 0.000 5.531) 7.408 5.960 ( 2.274 0.000 -2.850) 3.646 6.026 ( 1.905 0.000 5.283) 5.616 6.096 ( -3.241 0.000 0.376) 3.263 6.214 ( -2.377 0.000 -5.035) 5.568 6.217 ( 6.201 0.000 1.621) 6.409 6.219 ( -4.537 0.000 1.247) 4.705 6.246 ( 0.021 0.000 5.089) 5.089 6.292 ( 5.554 0.000 -7.677) 9.476 6.374 ( -4.943 0.000 -1.093) 5.062 6.465 ( -0.361 0.000 -0.572) 0.676 6.507 ( 5.409 0.000 1.778) 5.694 6.537 ( -2.846 0.000 0.340) 2.866 6.592 ( -9.389 0.000 0.683) 9.414 6.631 ( -1.700 0.000 1.438) 2.226 6.641 ( 4.229 0.000 4.754) 6.363 6.741 ( -0.977 0.000 -4.010) 4.127 6.755 ( 1.055 0.000 5.183) 5.289 6.783 ( -1.336 0.000 3.163) 3.434 6.872 ( 6.994 0.000 -1.059) 7.074 6.888 ( 2.689 0.000 1.935) 3.313 6.949 ( -4.648 0.000 0.109) 4.649 6.964 ( -3.632 0.000 2.846) 4.614 7.101 ( -3.209 0.000 -1.724) 3.642 7.122 ( -8.394 0.000 1.439) 8.516 7.165 ( 9.234 0.000 -5.839) 10.925 7.189 ( 0.004 0.000 -1.407) 1.407 7.247 ( 3.813 0.000 7.796) 8.679 7.248 ( -0.490 0.000 -4.185) 4.214 7.312 ( 5.813 0.000 -3.526) 6.799 7.378 ( -4.153 0.000 1.343) 4.365 7.467 ( -2.490 0.000 2.645) 3.633 7.489 ( -3.155 0.000 1.483) 3.486 7.496 ( -0.264 0.000 -1.598) 1.620 7.502 ( 0.607 0.000 1.808) 1.907 7.541 ( 0.050 0.000 -6.280) 6.280 7.568 ( 10.368 0.000 -1.023) 10.418 7.619 ( -0.811 0.000 -5.896) 5.952 7.672 ( -0.055 0.000 -3.850) 3.850 7.740 ( -2.090 0.000 -3.970) 4.487 7.814 ( 3.652 0.000 -2.320) 4.327 7.847 ( -0.661 0.000 5.344) 5.385 7.885 ( -9.046 0.000 -2.066) 9.279 7.903 ( 0.242 0.000 9.325) 9.329 7.929 ( 1.870 0.000 3.930) 4.352 8.103 ( -3.920 0.000 -0.135) 3.923 8.104 ( 8.037 0.000 1.270) 8.136 8.196 ( -1.820 0.000 -1.305) 2.240 8.198 ( -2.723 0.000 -1.094) 2.935 8.259 ( -1.957 0.000 0.486) 2.017 8.259 ( 4.237 0.000 -0.237) 4.244 8.488 ( -0.385 0.000 1.009) 1.080 8.532 ( 5.678 0.000 0.205) 5.682 8.575 ( -2.899 0.000 -1.326) 3.188 8.641 ( -3.524 0.000 -1.095) 3.690 8.652 ( 8.354 0.000 3.713) 9.142 8.726 ( 1.645 0.000 -0.638) 1.764 8.780 ( 6.371 0.000 -0.515) 6.392 8.842 ( 4.023 0.000 -4.926) 6.360 8.877 ( 6.609 0.000 -1.740) 6.834 8.994 ( 5.823 0.000 -2.795) 6.459 9.108 ( -1.337 0.000 0.239) 1.358 9.122 ( 2.066 0.000 -1.938) 2.833 9.156 ( -1.583 0.000 -3.376) 3.729 9.264 ( 1.028 0.000 -3.774) 3.911 9.307 ( 4.728 0.000 1.859) 5.080 9.348 ( -1.207 0.000 -4.583) 4.740 9.434 ( -1.116 0.000 1.726) 2.055 9.553 ( 0.282 0.000 -4.299) 4.308 9.625 ( -1.433 0.000 -0.743) 1.614 9.691 ( -3.290 0.000 -2.832) 4.341 9.693 ( 6.101 0.000 6.284) 8.759 9.824 ( -3.350 0.000 1.208) 3.562 9.888 ( -3.477 0.000 -2.530) 4.300 10.002 ( 5.319 0.000 -5.929) 7.965 10.016 ( 0.373 0.000 -2.436) 2.464 10.083 ( -0.979 0.000 0.760) 1.240 10.123 ( 3.580 0.000 0.081) 3.581 10.303 ( 5.964 0.000 3.089) 6.716 10.507 ( -5.831 0.000 -0.995) 5.916 10.565 ( -6.182 0.000 -3.606) 7.157 10.719 ( -6.945 0.000 -2.090) 7.253 10.735 ( -0.948 0.000 -0.019) 0.949 10.868 ( 1.547 0.000 9.804) 9.925 11.008 ( -7.078 0.000 -0.981) 7.146 11.091 ( -5.068 0.000 5.806) 7.707 11.174 ( 10.075 0.000 0.184) 10.077 11.351 ( 5.605 0.000 -0.260) 5.611 11.439 ( -5.048 0.000 -0.143) 5.050 11.495 ( 6.468 0.000 -2.992) 7.127 11.501 ( 2.366 0.000 1.115) 2.615 11.691 ( -2.764 0.000 -0.140) 2.767 11.919 ( 2.246 0.000 0.181) 2.253 11.982 ( -0.859 0.000 3.140) 3.255 12.190 ( -5.771 0.000 14.507) 15.613 12.479 ( -7.311 0.000 -3.802) 8.241 12.890 ( 0.273 0.000 0.796) 0.841 13.189 ( -0.816 0.000 0.001) 0.816 13.443 ( -0.343 0.000 -0.771) 0.844 13.836 ( -0.696 0.000 0.230) 0.733 15.148 ( 1.743 0.000 -1.048) 2.034 15.642 ( 3.081 0.000 -3.973) 5.028 15.696 ( -0.311 0.000 0.817) 0.874 15.715 ( 7.143 0.000 -19.535) 20.800 16.186 ( 3.058 0.000 -0.343) 3.077 16.286 ( -1.106 0.000 -1.476) 1.844 16.366 ( -3.266 0.000 -0.964) 3.405 16.651 ( -17.639 0.000 42.949) 46.430 16.911 ( 2.884 0.000 -1.968) 3.492 16.923 ( 0.885 0.000 5.049) 5.126 17.122 ( -0.544 0.000 2.305) 2.368 17.319 ( -0.306 0.000 -5.646) 5.654 17.521 ( -1.062 0.000 -0.443) 1.151 17.584 ( 9.396 0.000 -29.086) 30.566 17.747 ( 1.340 0.000 2.801) 3.105 18.163 ( 1.269 0.000 1.058) 1.652 18.212 ( -1.644 0.000 -5.117) 5.374 18.213 ( 4.539 0.000 0.387) 4.556 18.339 ( 0.822 0.000 -0.823) 1.163 18.468 ( 1.485 0.000 5.097) 5.309 18.608 ( 1.853 0.000 0.101) 1.856 18.684 ( -3.709 0.000 13.981) 14.465 18.811 ( -3.846 0.000 -0.042) 3.846 19.162 ( -6.746 0.000 -1.769) 6.974 19.431 ( 0.147 0.000 0.213) 0.259 19.452 ( 0.856 0.000 0.935) 1.267 19.461 ( 0.753 0.000 -2.565) 2.674 19.485 ( -0.227 0.000 0.280) 0.360 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 23.461 0.000 14.048) 27.345 1.194 ( 26.873 0.000 6.596) 27.671 1.922 ( -2.215 0.000 -8.084) 8.382 2.087 ( 5.946 0.000 15.317) 16.431 2.211 ( 6.142 0.000 -1.097) 6.239 2.241 ( 31.050 0.000 6.355) 31.694 2.241 ( -11.754 0.000 -4.462) 12.572 2.310 ( 11.004 0.000 -1.639) 11.125 2.487 ( 0.972 0.000 3.701) 3.827 2.588 ( 11.706 0.000 -5.994) 13.151 2.708 ( -7.889 0.000 -10.928) 13.478 2.747 ( 2.521 0.000 5.019) 5.617 2.799 ( -2.163 0.000 -6.380) 6.737 2.868 ( 6.942 0.000 9.015) 11.378 2.962 ( 4.063 0.000 -0.804) 4.142 2.964 ( -9.523 0.000 5.613) 11.054 3.004 ( -1.088 0.000 -9.816) 9.876 3.118 ( -2.465 0.000 -3.248) 4.077 3.196 ( 6.709 0.000 -2.492) 7.157 3.253 ( -3.129 0.000 -0.702) 3.207 3.281 ( 3.520 0.000 1.499) 3.826 3.371 ( -1.688 0.000 -5.202) 5.468 3.411 ( 1.794 0.000 1.422) 2.289 3.471 ( -4.395 0.000 -3.877) 5.861 3.551 ( 2.444 0.000 0.993) 2.638 3.607 ( 4.738 0.000 4.765) 6.720 3.616 ( -9.162 0.000 3.192) 9.702 3.712 ( 3.259 0.000 1.498) 3.587 3.739 ( -1.236 0.000 5.950) 6.077 3.771 ( 0.387 0.000 3.145) 3.168 3.785 ( -4.345 0.000 -6.423) 7.755 3.856 ( -0.788 0.000 4.931) 4.994 3.941 ( -0.104 0.000 1.566) 1.569 4.001 ( -2.692 0.000 -1.751) 3.212 4.011 ( -0.403 0.000 -5.030) 5.046 4.045 ( -1.190 0.000 -8.546) 8.629 4.081 ( 0.900 0.000 2.883) 3.020 4.096 ( -0.781 0.000 0.702) 1.050 4.127 ( -5.981 0.000 1.165) 6.093 4.171 ( -2.816 0.000 -0.472) 2.855 4.318 ( 1.842 0.000 -1.878) 2.630 4.328 ( -2.777 0.000 2.722) 3.889 4.333 ( 2.598 0.000 4.808) 5.466 4.387 ( -3.151 0.000 4.783) 5.728 4.433 ( 7.255 0.000 -3.281) 7.963 4.493 ( 1.035 0.000 5.067) 5.172 4.535 ( -13.496 0.000 0.952) 13.530 4.579 ( 1.267 0.000 0.318) 1.307 4.591 ( -5.079 0.000 -3.760) 6.320 4.697 ( 0.974 0.000 -1.790) 2.038 4.807 ( 1.755 0.000 -10.457) 10.603 4.823 ( 2.070 0.000 0.503) 2.131 4.838 ( -0.840 0.000 0.578) 1.020 4.916 ( -9.752 0.000 -0.153) 9.753 4.944 ( 3.233 0.000 1.831) 3.716 4.957 ( -9.863 0.000 -8.061) 12.738 5.024 ( -10.559 0.000 0.759) 10.586 5.079 ( 5.086 0.000 -4.072) 6.516 5.103 ( 0.434 0.000 -3.403) 3.431 5.223 ( 0.243 0.000 1.134) 1.160 5.290 ( 0.742 0.000 0.894) 1.161 5.332 ( -5.188 0.000 -2.766) 5.880 5.355 ( -6.478 0.000 3.552) 7.388 5.370 ( 4.476 0.000 7.883) 9.065 5.424 ( -4.000 0.000 -1.082) 4.143 5.467 ( -2.857 0.000 -1.377) 3.172 5.506 ( -4.978 0.000 -4.430) 6.664 5.530 ( 0.610 0.000 1.666) 1.774 5.578 ( 3.822 0.000 0.294) 3.833 5.641 ( -0.623 0.000 4.455) 4.499 5.691 ( -2.510 0.000 -1.497) 2.923 5.695 ( 1.582 0.000 2.483) 2.944 5.759 ( 0.955 0.000 -5.699) 5.778 5.800 ( 0.996 0.000 -0.255) 1.028 5.894 ( 3.706 0.000 2.289) 4.356 5.915 ( -7.325 0.000 0.811) 7.370 5.958 ( 3.658 0.000 1.428) 3.927 6.018 ( 1.067 0.000 -2.435) 2.658 6.084 ( -1.762 0.000 2.800) 3.308 6.101 ( 1.085 0.000 0.125) 1.093 6.154 ( 4.655 0.000 -8.477) 9.671 6.193 ( -2.468 0.000 5.277) 5.826 6.252 ( -5.040 0.000 -0.160) 5.042 6.271 ( -3.653 0.000 6.172) 7.172 6.297 ( -4.480 0.000 0.590) 4.519 6.368 ( 2.803 0.000 0.435) 2.837 6.409 ( 0.318 0.000 2.983) 3.000 6.422 ( -0.123 0.000 -3.669) 3.672 6.493 ( 1.206 0.000 1.809) 2.174 6.554 ( -0.953 0.000 4.461) 4.562 6.645 ( -5.062 0.000 -0.613) 5.099 6.658 ( 4.270 0.000 -1.902) 4.674 6.743 ( -0.062 0.000 -5.525) 5.525 6.746 ( -4.151 0.000 2.911) 5.070 6.798 ( -2.328 0.000 4.192) 4.795 6.895 ( -6.382 0.000 0.161) 6.384 6.906 ( -1.821 0.000 -1.134) 2.146 6.925 ( 0.661 0.000 1.372) 1.523 7.041 ( 1.566 0.000 -0.065) 1.567 7.044 ( 8.023 0.000 3.347) 8.693 7.054 ( 1.432 0.000 8.196) 8.321 7.185 ( 3.551 0.000 -5.254) 6.341 7.272 ( 1.617 0.000 2.213) 2.741 7.303 ( 0.236 0.000 0.343) 0.417 7.366 ( 1.766 0.000 -3.608) 4.017 7.370 ( 7.088 0.000 -5.825) 9.174 7.381 ( 2.084 0.000 1.171) 2.390 7.406 ( 2.646 0.000 -1.369) 2.979 7.435 ( -0.806 0.000 -0.914) 1.218 7.497 ( -0.145 0.000 -1.146) 1.155 7.510 ( 1.350 0.000 -3.200) 3.472 7.535 ( 2.855 0.000 0.061) 2.856 7.622 ( 2.756 0.000 3.153) 4.187 7.655 ( -10.629 0.000 -3.382) 11.154 7.680 ( 1.453 0.000 -6.903) 7.054 7.682 ( 0.128 0.000 3.706) 3.708 7.775 ( 6.691 0.000 1.058) 6.774 7.834 ( -5.543 0.000 5.535) 7.834 7.840 ( 0.098 0.000 1.150) 1.154 7.982 ( 1.156 0.000 -4.279) 4.433 7.988 ( -0.320 0.000 1.425) 1.461 8.052 ( -1.658 0.000 -0.815) 1.847 8.056 ( -5.411 0.000 6.059) 8.124 8.195 ( 2.872 0.000 4.930) 5.706 8.215 ( -0.612 0.000 -0.647) 0.890 8.330 ( 6.497 0.000 1.002) 6.574 8.332 ( 4.258 0.000 -1.729) 4.596 8.457 ( -2.837 0.000 4.254) 5.113 8.505 ( -1.339 0.000 1.874) 2.304 8.559 ( -3.687 0.000 -3.272) 4.929 8.619 ( 0.107 0.000 0.969) 0.975 8.715 ( -3.972 0.000 -2.514) 4.701 8.739 ( -0.139 0.000 -3.612) 3.614 8.805 ( -1.396 0.000 -1.617) 2.136 8.879 ( 2.012 0.000 -3.838) 4.334 8.953 ( 4.932 0.000 3.889) 6.281 9.016 ( -3.284 0.000 -7.340) 8.041 9.051 ( 0.311 0.000 -1.068) 1.112 9.189 ( 4.166 0.000 -2.214) 4.718 9.235 ( 4.648 0.000 -0.794) 4.715 9.322 ( 7.534 0.000 0.118) 7.535 9.325 ( 0.991 0.000 0.772) 1.256 9.471 ( 2.910 0.000 2.992) 4.174 9.506 ( 5.707 0.000 3.416) 6.651 9.535 ( -0.623 0.000 0.072) 0.627 9.555 ( 3.457 0.000 -2.300) 4.152 9.672 ( 2.907 0.000 -0.311) 2.924 9.710 ( -5.682 0.000 -1.268) 5.822 9.803 ( -2.581 0.000 -2.394) 3.520 9.842 ( 2.789 0.000 4.209) 5.049 10.020 ( 2.375 0.000 -2.226) 3.255 10.044 ( -3.971 0.000 -1.144) 4.132 10.087 ( 5.292 0.000 -4.272) 6.801 10.181 ( 0.835 0.000 -0.264) 0.876 10.315 ( -11.299 0.000 -5.730) 12.668 10.381 ( -7.029 0.000 -4.351) 8.267 10.433 ( 3.229 0.000 5.276) 6.185 10.660 ( -0.011 0.000 3.009) 3.009 10.726 ( 0.240 0.000 0.251) 0.347 10.863 ( -6.389 0.000 -0.365) 6.399 10.984 ( 5.162 0.000 6.436) 8.250 11.018 ( -4.035 0.000 2.148) 4.572 11.307 ( -7.033 0.000 -3.493) 7.852 11.359 ( 7.310 0.000 2.394) 7.692 11.474 ( 5.428 0.000 -1.047) 5.528 11.573 ( 3.819 0.000 -3.195) 4.979 11.585 ( 5.372 0.000 0.793) 5.430 11.630 ( -3.137 0.000 0.422) 3.165 11.962 ( 1.383 0.000 -0.734) 1.566 11.978 ( -1.442 0.000 3.152) 3.466 12.153 ( -4.126 0.000 5.079) 6.544 12.296 ( -7.712 0.000 -2.746) 8.186 12.896 ( -0.026 0.000 0.477) 0.477 13.169 ( -0.982 0.000 -0.076) 0.985 13.431 ( -0.598 0.000 0.015) 0.598 13.824 ( -0.624 0.000 0.349) 0.715 15.177 ( 1.724 0.000 -1.069) 2.029 15.669 ( 2.388 0.000 -4.938) 5.485 15.698 ( 0.033 0.000 0.730) 0.730 15.742 ( 2.471 0.000 -2.933) 3.836 16.254 ( -1.154 0.000 -1.916) 2.237 16.270 ( 6.104 0.000 -1.745) 6.348 16.292 ( -3.079 0.000 -0.250) 3.089 16.554 ( -10.780 0.000 15.456) 18.844 16.956 ( 2.912 0.000 -2.568) 3.882 16.971 ( 1.036 0.000 3.593) 3.739 17.119 ( -1.385 0.000 2.743) 3.073 17.274 ( -0.990 0.000 -3.432) 3.572 17.503 ( -0.406 0.000 -0.410) 0.577 17.587 ( 3.193 0.000 -9.529) 10.050 17.795 ( 1.401 0.000 2.862) 3.186 18.148 ( -1.673 0.000 -3.949) 4.289 18.201 ( 1.556 0.000 1.077) 1.892 18.324 ( 6.145 0.000 0.564) 6.171 18.351 ( 0.834 0.000 -0.765) 1.132 18.529 ( 1.493 0.000 3.762) 4.047 18.635 ( -1.350 0.000 -0.692) 1.517 18.699 ( -0.941 0.000 5.025) 5.112 18.743 ( -0.279 0.000 0.589) 0.651 18.997 ( -8.581 0.000 -1.372) 8.690 19.436 ( 0.234 0.000 0.308) 0.387 19.462 ( 0.511 0.000 -1.056) 1.173 19.465 ( 0.145 0.000 0.389) 0.416 19.479 ( -0.570 0.000 0.217) 0.610 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 0.000 0.000 0.000) 0.000 1.618 ( 0.000 0.000 0.000) 0.000 1.694 ( -0.000 0.000 0.000) 0.000 1.941 ( 0.000 0.000 0.000) 0.000 2.172 ( 0.000 0.000 0.000) 0.000 2.289 ( 0.000 0.000 0.000) 0.000 2.381 ( 0.000 0.000 -0.000) 0.000 2.503 ( 0.000 0.000 -0.000) 0.000 2.520 ( 0.000 0.000 0.000) 0.000 2.702 ( -0.000 0.000 0.000) 0.000 2.747 ( 0.000 0.000 0.000) 0.000 2.840 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 -0.000) 0.000 2.873 ( -0.000 0.000 -0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 2.923 ( 0.000 0.000 0.000) 0.000 3.001 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.209 ( 0.000 0.000 0.000) 0.000 3.289 ( 0.000 0.000 -0.000) 0.000 3.331 ( 0.000 0.000 0.000) 0.000 3.336 ( 0.000 0.000 0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 -0.000) 0.000 3.490 ( -0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.677 ( 0.000 0.000 0.000) 0.000 3.687 ( 0.000 0.000 -0.000) 0.000 3.750 ( 0.000 0.000 0.000) 0.000 3.773 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.920 ( -0.000 0.000 0.000) 0.000 3.930 ( -0.000 0.000 0.000) 0.000 3.944 ( 0.000 0.000 0.000) 0.000 3.963 ( 0.000 0.000 -0.000) 0.000 3.966 ( 0.000 0.000 -0.000) 0.000 4.013 ( 0.000 0.000 0.000) 0.000 4.072 ( 0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.160 ( -0.000 0.000 0.000) 0.000 4.241 ( 0.000 0.000 0.000) 0.000 4.301 ( 0.000 0.000 -0.000) 0.000 4.347 ( 0.000 0.000 -0.000) 0.000 4.411 ( 0.000 0.000 0.000) 0.000 4.448 ( 0.000 0.000 0.000) 0.000 4.474 ( 0.000 0.000 0.000) 0.000 4.533 ( -0.000 0.000 0.000) 0.000 4.597 ( -0.000 0.000 0.000) 0.000 4.603 ( 0.000 0.000 -0.000) 0.000 4.659 ( -0.000 0.000 -0.000) 0.000 4.746 ( 0.000 0.000 0.000) 0.000 4.812 ( 0.000 0.000 0.000) 0.000 4.832 ( 0.000 0.000 -0.000) 0.000 4.838 ( 0.000 0.000 -0.000) 0.000 4.844 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 -0.000) 0.000 4.990 ( 0.000 0.000 0.000) 0.000 5.101 ( 0.000 0.000 -0.000) 0.000 5.142 ( 0.000 0.000 -0.000) 0.000 5.207 ( 0.000 0.000 0.000) 0.000 5.246 ( 0.000 0.000 -0.000) 0.000 5.248 ( 0.000 0.000 -0.000) 0.000 5.332 ( 0.000 0.000 0.000) 0.000 5.368 ( 0.000 0.000 -0.000) 0.000 5.433 ( 0.000 0.000 -0.000) 0.000 5.449 ( 0.000 0.000 0.000) 0.000 5.480 ( 0.000 0.000 0.000) 0.000 5.547 ( 0.000 0.000 -0.000) 0.000 5.610 ( 0.000 0.000 -0.000) 0.000 5.649 ( 0.000 0.000 0.000) 0.000 5.705 ( -0.000 0.000 -0.000) 0.000 5.714 ( 0.000 0.000 0.000) 0.000 5.773 ( 0.000 0.000 -0.000) 0.000 5.805 ( 0.000 0.000 -0.000) 0.000 5.826 ( -0.000 0.000 0.000) 0.000 5.977 ( 0.000 0.000 -0.000) 0.000 5.998 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 0.000 0.000) 0.000 6.060 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 -0.000) 0.000 6.152 ( 0.000 0.000 0.000) 0.000 6.163 ( 0.000 0.000 0.000) 0.000 6.176 ( 0.000 0.000 -0.000) 0.000 6.269 ( 0.000 0.000 0.000) 0.000 6.276 ( 0.000 0.000 0.000) 0.000 6.363 ( 0.000 0.000 -0.000) 0.000 6.422 ( 0.000 0.000 -0.000) 0.000 6.484 ( 0.000 0.000 0.000) 0.000 6.518 ( -0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 -0.000) 0.000 6.593 ( 0.000 0.000 0.000) 0.000 6.673 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 -0.000) 0.000 6.733 ( 0.000 0.000 0.000) 0.000 6.758 ( 0.000 0.000 -0.000) 0.000 6.826 ( 0.000 0.000 -0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 6.935 ( 0.000 0.000 0.000) 0.000 7.053 ( 0.000 0.000 -0.000) 0.000 7.122 ( 0.000 0.000 0.000) 0.000 7.195 ( 0.000 0.000 0.000) 0.000 7.213 ( -0.000 0.000 -0.000) 0.000 7.265 ( 0.000 0.000 -0.000) 0.000 7.311 ( 0.000 0.000 -0.000) 0.000 7.319 ( 0.000 0.000 0.000) 0.000 7.352 ( 0.000 0.000 0.000) 0.000 7.409 ( 0.000 0.000 0.000) 0.000 7.462 ( 0.000 0.000 0.000) 0.000 7.470 ( 0.000 0.000 -0.000) 0.000 7.492 ( -0.000 0.000 -0.000) 0.000 7.530 ( -0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 -0.000) 0.000 7.625 ( 0.000 0.000 -0.000) 0.000 7.645 ( -0.000 0.000 0.000) 0.000 7.710 ( 0.000 0.000 0.000) 0.000 7.721 ( 0.000 0.000 -0.000) 0.000 7.724 ( -0.000 0.000 0.000) 0.000 7.809 ( 0.000 0.000 0.000) 0.000 7.845 ( 0.000 0.000 0.000) 0.000 7.899 ( 0.000 0.000 0.000) 0.000 7.931 ( 0.000 0.000 0.000) 0.000 8.077 ( 0.000 0.000 -0.000) 0.000 8.077 ( 0.000 0.000 0.000) 0.000 8.179 ( 0.000 0.000 -0.000) 0.000 8.284 ( 0.000 0.000 0.000) 0.000 8.415 ( 0.000 0.000 0.000) 0.000 8.440 ( -0.000 0.000 0.000) 0.000 8.440 ( -0.000 0.000 0.000) 0.000 8.444 ( 0.000 0.000 -0.000) 0.000 8.491 ( 0.000 0.000 0.000) 0.000 8.589 ( 0.000 0.000 -0.000) 0.000 8.648 ( 0.000 0.000 0.000) 0.000 8.694 ( 0.000 0.000 -0.000) 0.000 8.805 ( 0.000 0.000 0.000) 0.000 8.881 ( 0.000 0.000 0.000) 0.000 8.943 ( 0.000 0.000 0.000) 0.000 9.060 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.133 ( -0.000 0.000 -0.000) 0.000 9.270 ( 0.000 0.000 0.000) 0.000 9.352 ( 0.000 0.000 -0.000) 0.000 9.471 ( 0.000 0.000 -0.000) 0.000 9.474 ( -0.000 0.000 0.000) 0.000 9.523 ( 0.000 0.000 0.000) 0.000 9.561 ( 0.000 0.000 0.000) 0.000 9.602 ( -0.000 0.000 -0.000) 0.000 9.635 ( -0.000 0.000 0.000) 0.000 9.760 ( 0.000 0.000 0.000) 0.000 9.881 ( 0.000 0.000 0.000) 0.000 9.888 ( 0.000 0.000 0.000) 0.000 9.942 ( 0.000 0.000 0.000) 0.000 10.028 ( 0.000 0.000 0.000) 0.000 10.044 ( 0.000 0.000 -0.000) 0.000 10.132 ( 0.000 0.000 -0.000) 0.000 10.262 ( -0.000 0.000 -0.000) 0.000 10.263 ( 0.000 0.000 0.000) 0.000 10.474 ( 0.000 0.000 0.000) 0.000 10.714 ( 0.000 0.000 0.000) 0.000 10.736 ( 0.000 0.000 0.000) 0.000 10.764 ( 0.000 0.000 -0.000) 0.000 10.985 ( 0.000 0.000 -0.000) 0.000 11.138 ( 0.000 0.000 0.000) 0.000 11.143 ( -0.000 0.000 -0.000) 0.000 11.455 ( 0.000 0.000 0.000) 0.000 11.510 ( 0.000 0.000 0.000) 0.000 11.596 ( -0.000 0.000 0.000) 0.000 11.605 ( 0.000 0.000 -0.000) 0.000 11.666 ( 0.000 0.000 0.000) 0.000 11.948 ( 0.000 0.000 -0.000) 0.000 11.972 ( 0.000 0.000 0.000) 0.000 12.128 ( 0.000 0.000 0.000) 0.000 12.207 ( 0.000 0.000 0.000) 0.000 12.897 ( 0.000 0.000 0.000) 0.000 13.158 ( 0.000 0.000 0.000) 0.000 13.424 ( 0.000 0.000 -0.000) 0.000 13.819 ( 0.000 0.000 0.000) 0.000 15.192 ( 0.000 0.000 0.000) 0.000 15.676 ( 0.000 0.000 0.000) 0.000 15.702 ( 0.000 0.000 0.000) 0.000 15.759 ( 0.000 0.000 0.000) 0.000 16.229 ( 0.000 0.000 0.000) 0.000 16.264 ( 0.000 0.000 0.000) 0.000 16.359 ( 0.000 0.000 -0.000) 0.000 16.463 ( 0.000 0.000 0.000) 0.000 16.979 ( 0.000 0.000 -0.000) 0.000 16.995 ( 0.000 0.000 -0.000) 0.000 17.111 ( 0.000 0.000 -0.000) 0.000 17.252 ( 0.000 0.000 -0.000) 0.000 17.499 ( 0.000 0.000 0.000) 0.000 17.589 ( 0.000 0.000 0.000) 0.000 17.820 ( 0.000 0.000 0.000) 0.000 18.116 ( 0.000 0.000 -0.000) 0.000 18.221 ( 0.000 0.000 0.000) 0.000 18.358 ( 0.000 0.000 0.000) 0.000 18.413 ( 0.000 0.000 -0.000) 0.000 18.557 ( 0.000 0.000 0.000) 0.000 18.572 ( 0.000 0.000 0.000) 0.000 18.706 ( 0.000 0.000 0.000) 0.000 18.821 ( 0.000 0.000 0.000) 0.000 18.847 ( -0.000 0.000 -0.000) 0.000 19.440 ( 0.000 0.000 0.000) 0.000 19.467 ( 0.000 0.000 -0.000) 0.000 19.468 ( 0.000 0.000 -0.000) 0.000 19.468 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.512 ( 0.000 27.742 0.000) 27.742 0.537 ( 0.000 28.666 0.000) 28.666 0.994 ( 0.000 52.362 0.000) 52.362 1.725 ( 0.000 -10.246 0.000) 10.246 1.865 ( 0.000 -16.295 0.000) 16.295 1.923 ( 0.000 1.773 0.000) 1.773 1.973 ( 0.000 0.661 0.000) 0.661 2.378 ( 0.000 1.804 0.000) 1.804 2.452 ( 0.000 2.756 0.000) 2.756 2.602 ( 0.000 -2.938 0.000) 2.938 2.653 ( 0.000 -4.813 0.000) 4.813 2.785 ( 0.000 1.042 0.000) 1.042 2.788 ( 0.000 2.850 0.000) 2.850 2.928 ( 0.000 -7.063 0.000) 7.063 3.036 ( 0.000 -1.662 0.000) 1.662 3.039 ( 0.000 2.963 0.000) 2.963 3.102 ( 0.000 7.701 0.000) 7.701 3.192 ( 0.000 -2.555 0.000) 2.555 3.226 ( 0.000 -6.061 0.000) 6.061 3.261 ( 0.000 -0.111 0.000) 0.111 3.312 ( 0.000 4.486 0.000) 4.486 3.458 ( 0.000 4.501 0.000) 4.501 3.474 ( 0.000 -8.832 0.000) 8.832 3.519 ( 0.000 -1.546 0.000) 1.546 3.538 ( 0.000 1.539 0.000) 1.539 3.598 ( 0.000 -0.323 0.000) 0.323 3.621 ( 0.000 5.925 0.000) 5.925 3.659 ( 0.000 -0.042 0.000) 0.042 3.760 ( 0.000 -11.236 0.000) 11.236 3.814 ( 0.000 -2.620 0.000) 2.620 3.832 ( 0.000 1.072 0.000) 1.072 3.880 ( 0.000 3.850 0.000) 3.850 3.948 ( 0.000 -9.540 0.000) 9.540 4.050 ( 0.000 1.573 0.000) 1.573 4.052 ( 0.000 -3.224 0.000) 3.224 4.084 ( 0.000 -2.774 0.000) 2.774 4.107 ( 0.000 1.926 0.000) 1.926 4.153 ( 0.000 -0.245 0.000) 0.245 4.216 ( 0.000 -4.722 0.000) 4.722 4.261 ( 0.000 -1.649 0.000) 1.649 4.280 ( 0.000 -5.112 0.000) 5.112 4.384 ( 0.000 0.136 0.000) 0.136 4.403 ( 0.000 -0.994 0.000) 0.994 4.430 ( 0.000 1.056 0.000) 1.056 4.481 ( 0.000 1.762 0.000) 1.762 4.485 ( 0.000 0.764 0.000) 0.764 4.556 ( 0.000 -2.087 0.000) 2.087 4.593 ( 0.000 -3.183 0.000) 3.183 4.639 ( 0.000 -2.013 0.000) 2.013 4.724 ( 0.000 11.376 0.000) 11.376 4.770 ( 0.000 -4.031 0.000) 4.031 4.834 ( 0.000 5.505 0.000) 5.505 4.864 ( 0.000 3.975 0.000) 3.975 4.888 ( 0.000 -2.146 0.000) 2.146 4.941 ( 0.000 5.152 0.000) 5.152 4.945 ( 0.000 -3.959 0.000) 3.959 5.071 ( 0.000 -1.150 0.000) 1.150 5.128 ( 0.000 5.374 0.000) 5.374 5.211 ( 0.000 3.052 0.000) 3.052 5.255 ( 0.000 -1.258 0.000) 1.258 5.330 ( 0.000 -0.166 0.000) 0.166 5.336 ( 0.000 3.518 0.000) 3.518 5.423 ( 0.000 0.347 0.000) 0.347 5.459 ( 0.000 1.168 0.000) 1.168 5.509 ( 0.000 0.873 0.000) 0.873 5.562 ( 0.000 -0.625 0.000) 0.625 5.596 ( 0.000 1.013 0.000) 1.013 5.660 ( 0.000 1.957 0.000) 1.957 5.668 ( 0.000 -3.086 0.000) 3.086 5.697 ( 0.000 0.569 0.000) 0.569 5.711 ( 0.000 -1.238 0.000) 1.238 5.729 ( 0.000 -0.667 0.000) 0.667 5.792 ( 0.000 -0.134 0.000) 0.134 5.808 ( 0.000 2.774 0.000) 2.774 5.833 ( 0.000 0.682 0.000) 0.682 5.858 ( 0.000 4.166 0.000) 4.166 5.985 ( 0.000 -2.527 0.000) 2.527 5.995 ( 0.000 -1.042 0.000) 1.042 6.040 ( 0.000 -3.402 0.000) 3.402 6.088 ( 0.000 -2.594 0.000) 2.594 6.096 ( 0.000 -0.091 0.000) 0.091 6.222 ( 0.000 -3.134 0.000) 3.134 6.262 ( 0.000 4.143 0.000) 4.143 6.263 ( 0.000 1.037 0.000) 1.037 6.308 ( 0.000 -4.784 0.000) 4.784 6.318 ( 0.000 -2.022 0.000) 2.022 6.375 ( 0.000 -4.218 0.000) 4.218 6.491 ( 0.000 2.022 0.000) 2.022 6.554 ( 0.000 -0.190 0.000) 0.190 6.581 ( 0.000 6.684 0.000) 6.684 6.666 ( 0.000 6.207 0.000) 6.207 6.702 ( 0.000 0.381 0.000) 0.381 6.743 ( 0.000 -3.189 0.000) 3.189 6.824 ( 0.000 5.323 0.000) 5.323 6.834 ( 0.000 -1.822 0.000) 1.822 6.842 ( 0.000 4.407 0.000) 4.407 6.902 ( 0.000 0.972 0.000) 0.972 6.958 ( 0.000 -5.292 0.000) 5.292 6.979 ( 0.000 -3.540 0.000) 3.540 7.028 ( 0.000 -0.028 0.000) 0.028 7.134 ( 0.000 0.832 0.000) 0.832 7.193 ( 0.000 3.063 0.000) 3.063 7.239 ( 0.000 -0.260 0.000) 0.260 7.242 ( 0.000 -1.641 0.000) 1.641 7.267 ( 0.000 -0.343 0.000) 0.343 7.289 ( 0.000 5.528 0.000) 5.528 7.317 ( 0.000 -12.563 0.000) 12.563 7.394 ( 0.000 -0.158 0.000) 0.158 7.425 ( 0.000 1.635 0.000) 1.635 7.494 ( 0.000 0.582 0.000) 0.582 7.548 ( 0.000 -1.008 0.000) 1.008 7.590 ( 0.000 9.358 0.000) 9.358 7.655 ( 0.000 0.299 0.000) 0.299 7.687 ( 0.000 3.866 0.000) 3.866 7.701 ( 0.000 -1.956 0.000) 1.956 7.766 ( 0.000 3.071 0.000) 3.071 7.806 ( 0.000 0.102 0.000) 0.102 7.864 ( 0.000 -0.533 0.000) 0.533 7.917 ( 0.000 2.791 0.000) 2.791 7.955 ( 0.000 -1.749 0.000) 1.749 7.957 ( 0.000 -0.156 0.000) 0.156 8.021 ( 0.000 0.999 0.000) 0.999 8.117 ( 0.000 -4.897 0.000) 4.897 8.181 ( 0.000 -0.430 0.000) 0.430 8.201 ( 0.000 1.478 0.000) 1.478 8.272 ( 0.000 -1.288 0.000) 1.288 8.344 ( 0.000 -0.302 0.000) 0.302 8.351 ( 0.000 -2.029 0.000) 2.029 8.401 ( 0.000 -2.163 0.000) 2.163 8.489 ( 0.000 -4.727 0.000) 4.727 8.573 ( 0.000 7.062 0.000) 7.062 8.612 ( 0.000 -6.552 0.000) 6.552 8.692 ( 0.000 -0.057 0.000) 0.057 8.699 ( 0.000 -0.007 0.000) 0.007 8.810 ( 0.000 -3.298 0.000) 3.298 8.925 ( 0.000 3.618 0.000) 3.618 8.971 ( 0.000 9.183 0.000) 9.183 9.080 ( 0.000 -2.842 0.000) 2.842 9.144 ( 0.000 -4.444 0.000) 4.444 9.209 ( 0.000 -2.163 0.000) 2.163 9.294 ( 0.000 1.384 0.000) 1.384 9.330 ( 0.000 2.719 0.000) 2.719 9.358 ( 0.000 0.335 0.000) 0.335 9.454 ( 0.000 -1.513 0.000) 1.513 9.495 ( 0.000 3.409 0.000) 3.409 9.599 ( 0.000 0.404 0.000) 0.404 9.647 ( 0.000 -0.586 0.000) 0.586 9.727 ( 0.000 -0.345 0.000) 0.345 9.829 ( 0.000 -2.258 0.000) 2.258 9.911 ( 0.000 -1.425 0.000) 1.425 9.916 ( 0.000 -5.452 0.000) 5.452 9.954 ( 0.000 -2.622 0.000) 2.622 10.051 ( 0.000 0.202 0.000) 0.202 10.120 ( 0.000 2.642 0.000) 2.642 10.223 ( 0.000 1.936 0.000) 1.936 10.326 ( 0.000 -2.122 0.000) 2.122 10.574 ( 0.000 0.444 0.000) 0.444 10.708 ( 0.000 -3.483 0.000) 3.483 10.866 ( 0.000 -3.130 0.000) 3.130 10.874 ( 0.000 -1.020 0.000) 1.020 10.932 ( 0.000 3.431 0.000) 3.431 11.062 ( 0.000 6.531 0.000) 6.531 11.106 ( 0.000 -1.616 0.000) 1.616 11.256 ( 0.000 1.324 0.000) 1.324 11.344 ( 0.000 0.310 0.000) 0.310 11.426 ( 0.000 -4.236 0.000) 4.236 11.551 ( 0.000 -0.075 0.000) 0.075 11.738 ( 0.000 -1.615 0.000) 1.615 11.795 ( 0.000 -2.530 0.000) 2.530 11.966 ( 0.000 -1.435 0.000) 1.435 12.193 ( 0.000 9.535 0.000) 9.535 12.529 ( 0.000 -2.170 0.000) 2.170 12.956 ( 0.000 7.430 0.000) 7.430 13.401 ( 0.000 -4.253 0.000) 4.253 13.738 ( 0.000 1.493 0.000) 1.493 13.835 ( 0.000 -0.902 0.000) 0.902 15.083 ( 0.000 4.401 0.000) 4.401 15.498 ( 0.000 -7.569 0.000) 7.569 15.684 ( 0.000 2.499 0.000) 2.499 15.702 ( 0.000 0.489 0.000) 0.489 16.168 ( 0.000 1.093 0.000) 1.093 16.278 ( 0.000 -2.179 0.000) 2.179 16.384 ( 0.000 1.930 0.000) 1.930 16.469 ( 0.000 -0.709 0.000) 0.709 16.929 ( 0.000 3.631 0.000) 3.631 17.027 ( 0.000 1.707 0.000) 1.707 17.104 ( 0.000 -1.523 0.000) 1.523 17.223 ( 0.000 0.707 0.000) 0.707 17.360 ( 0.000 -3.004 0.000) 3.004 17.534 ( 0.000 -4.894 0.000) 4.894 17.761 ( 0.000 3.114 0.000) 3.114 17.893 ( 0.000 -1.206 0.000) 1.206 18.182 ( 0.000 2.527 0.000) 2.527 18.332 ( 0.000 -0.314 0.000) 0.314 18.397 ( 0.000 -2.494 0.000) 2.494 18.409 ( 0.000 -0.746 0.000) 0.746 18.579 ( 0.000 4.379 0.000) 4.379 18.826 ( 0.000 -2.596 0.000) 2.596 19.249 ( 0.000 0.712 0.000) 0.712 19.342 ( 0.000 -1.714 0.000) 1.714 19.422 ( 0.000 -0.258 0.000) 0.258 19.428 ( 0.000 -0.485 0.000) 0.485 19.449 ( 0.000 1.368 0.000) 1.368 19.493 ( 0.000 0.454 0.000) 0.454 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( 18.892 18.688 11.466) 28.941 0.986 ( 21.938 26.267 7.979) 35.141 1.423 ( 40.853 26.444 10.773) 49.842 1.802 ( 5.310 -9.942 5.857) 12.702 1.934 ( 4.882 -1.472 2.736) 5.787 2.042 ( 9.085 0.157 -1.232) 9.169 2.130 ( 15.203 -7.421 3.406) 17.257 2.409 ( 4.453 1.321 -4.635) 6.561 2.467 ( 2.067 3.619 1.581) 4.458 2.549 ( -4.027 0.363 -1.622) 4.356 2.603 ( -4.282 -3.619 -2.603) 6.181 2.721 ( -3.926 -1.778 3.300) 5.428 2.835 ( 3.167 -0.869 -1.643) 3.672 2.890 ( -0.437 -0.306 -6.329) 6.352 2.946 ( -3.975 -0.250 -5.439) 6.742 3.061 ( -1.085 0.741 -1.122) 1.728 3.077 ( 0.487 3.090 -2.024) 3.726 3.154 ( -1.884 -1.405 -7.025) 7.408 3.254 ( 0.302 -0.619 -1.114) 1.309 3.274 ( 1.396 -1.149 0.796) 1.976 3.364 ( -0.292 0.653 0.177) 0.737 3.382 ( -6.377 -1.543 5.133) 8.330 3.451 ( -4.099 3.838 -0.144) 5.617 3.486 ( -2.036 2.759 -7.031) 7.823 3.515 ( -0.827 -2.110 1.037) 2.493 3.534 ( 0.149 2.176 0.139) 2.185 3.620 ( 2.892 0.424 2.722) 3.994 3.653 ( 0.582 -0.340 -1.806) 1.927 3.773 ( -4.597 -5.836 3.617) 8.263 3.804 ( -2.892 -8.453 -2.331) 9.233 3.835 ( -1.430 -0.243 5.242) 5.439 3.851 ( 3.070 1.326 0.502) 3.382 3.924 ( 0.543 -0.615 6.645) 6.695 3.964 ( -2.126 -1.775 -1.070) 2.969 4.030 ( -4.301 -2.389 -2.917) 5.720 4.082 ( 1.278 -1.514 -8.487) 8.715 4.090 ( -2.933 -3.239 -4.725) 6.435 4.143 ( -0.680 0.860 6.369) 6.463 4.203 ( -6.632 -4.902 3.840) 9.097 4.206 ( -1.980 -0.322 -8.944) 9.166 4.253 ( -3.779 -0.038 2.514) 4.539 4.320 ( -3.131 -3.466 0.190) 4.675 4.328 ( 0.055 3.107 -1.066) 3.285 4.391 ( 0.144 0.286 -2.108) 2.133 4.437 ( -3.164 0.609 -2.315) 3.968 4.506 ( 0.138 -3.906 0.856) 4.001 4.572 ( -1.628 3.364 1.394) 3.989 4.601 ( -0.137 -2.499 3.536) 4.332 4.690 ( 5.651 -0.657 -1.897) 5.997 4.730 ( 1.990 3.929 1.209) 4.567 4.759 ( -4.060 -1.041 -0.285) 4.201 4.843 ( -0.248 1.639 0.597) 1.762 4.867 ( 0.471 3.133 1.682) 3.587 4.886 ( -1.085 -0.852 -1.102) 1.766 4.996 ( 2.802 2.131 -0.958) 3.648 5.044 ( 2.967 1.175 6.691) 7.413 5.104 ( -4.246 0.087 -2.079) 4.728 5.134 ( 5.409 1.371 -1.370) 5.746 5.214 ( -0.131 4.806 -1.529) 5.045 5.247 ( -0.738 0.207 0.719) 1.051 5.287 ( -1.203 1.021 2.693) 3.121 5.358 ( -3.613 -2.753 -0.641) 4.587 5.390 ( -1.518 2.455 -0.672) 2.963 5.402 ( -2.173 5.111 -2.807) 6.223 5.484 ( -8.386 1.811 1.996) 8.808 5.512 ( -1.183 -1.030 3.432) 3.774 5.538 ( -0.564 -2.559 0.117) 2.623 5.608 ( -1.286 3.256 -4.594) 5.776 5.649 ( -4.261 0.238 -4.889) 6.490 5.689 ( -1.937 0.877 -4.853) 5.298 5.708 ( -2.961 -1.899 4.835) 5.979 5.732 ( 1.992 0.449 -1.281) 2.410 5.795 ( -2.044 0.963 3.212) 3.927 5.809 ( 1.735 -1.633 0.010) 2.383 5.861 ( -1.496 -0.699 1.545) 2.261 5.929 ( -2.185 0.135 -1.937) 2.923 5.948 ( 1.603 1.115 -0.402) 1.994 5.956 ( 7.239 2.445 1.667) 7.821 6.021 ( -0.630 -3.905 -3.094) 5.022 6.037 ( -0.573 -0.348 3.635) 3.696 6.178 ( 0.912 -2.489 0.327) 2.671 6.191 ( -2.204 -2.652 -2.056) 4.015 6.226 ( 2.677 -1.028 -2.853) 4.045 6.277 ( 0.661 2.291 3.630) 4.343 6.296 ( -0.455 1.179 -0.185) 1.277 6.364 ( -1.366 -2.109 -1.941) 3.175 6.457 ( 3.055 0.027 0.264) 3.067 6.504 ( -0.340 1.397 -1.621) 2.167 6.552 ( -1.699 -0.907 1.581) 2.492 6.600 ( -2.374 -2.656 -0.172) 3.567 6.623 ( -0.486 5.533 3.340) 6.482 6.714 ( -0.043 2.856 2.997) 4.140 6.743 ( -0.696 -3.198 1.837) 3.753 6.768 ( -3.017 3.171 -0.487) 4.404 6.813 ( -2.245 3.238 2.832) 4.852 6.863 ( 2.432 1.588 1.376) 3.214 6.913 ( -1.609 -1.223 -2.267) 3.037 6.925 ( 2.991 0.772 2.591) 4.032 6.975 ( -2.124 0.368 3.511) 4.120 7.032 ( 1.710 -3.333 0.106) 3.748 7.105 ( -7.552 -1.111 -2.704) 8.098 7.155 ( -0.345 -2.086 5.635) 6.018 7.208 ( -0.064 -1.042 -1.579) 1.893 7.228 ( -0.518 -1.383 0.848) 1.704 7.265 ( -0.029 -3.326 -4.137) 5.309 7.297 ( 3.967 -1.201 -8.160) 9.153 7.341 ( 0.901 -1.807 4.875) 5.277 7.394 ( -2.412 -2.056 2.932) 4.318 7.458 ( 1.270 3.788 1.311) 4.205 7.522 ( -1.603 1.860 -0.262) 2.469 7.565 ( 4.155 1.675 -1.687) 4.787 7.593 ( -2.046 -0.443 -4.487) 4.951 7.604 ( 2.166 4.915 0.445) 5.389 7.662 ( -1.963 -1.056 -5.103) 5.569 7.702 ( -0.248 5.340 -1.524) 5.559 7.754 ( 2.308 2.565 0.221) 3.457 7.817 ( 3.113 1.481 -0.372) 3.467 7.842 ( -2.565 -0.130 0.522) 2.621 7.881 ( -5.107 0.524 0.168) 5.137 7.933 ( -0.124 2.037 5.625) 5.984 7.946 ( -1.393 0.749 2.600) 3.043 8.055 ( 6.436 -3.722 1.875) 7.667 8.129 ( -3.248 -0.913 -0.192) 3.379 8.164 ( -1.890 1.646 -0.593) 2.575 8.214 ( -0.058 -1.357 0.164) 1.369 8.227 ( 3.044 0.645 -1.770) 3.580 8.290 ( -0.595 0.151 -0.884) 1.076 8.432 ( -1.452 -3.229 -0.671) 3.603 8.506 ( 1.350 -1.697 3.506) 4.122 8.546 ( 3.509 -2.910 -1.807) 4.904 8.613 ( 3.128 -0.284 0.138) 3.144 8.658 ( 8.379 -1.411 0.678) 8.524 8.737 ( 2.173 0.659 2.676) 3.510 8.768 ( 4.684 -2.550 -4.049) 6.697 8.883 ( 5.426 0.157 -2.355) 5.917 8.906 ( 1.586 3.530 -3.618) 5.298 8.993 ( 1.961 1.032 -3.060) 3.778 9.108 ( 2.033 1.164 3.224) 3.985 9.113 ( 1.208 -0.961 -3.839) 4.138 9.206 ( -2.620 3.895 -0.926) 4.784 9.252 ( 4.532 -2.252 -0.607) 5.097 9.290 ( -0.753 -0.042 -2.849) 2.947 9.373 ( 0.064 1.859 -1.696) 2.517 9.433 ( -1.044 0.008 2.387) 2.606 9.529 ( 0.022 -1.027 -0.141) 1.037 9.601 ( -0.543 -1.476 -0.153) 1.580 9.674 ( -1.870 -0.459 0.658) 2.035 9.724 ( 2.404 1.147 2.626) 3.740 9.792 ( -4.447 -3.256 0.775) 5.565 9.862 ( -2.327 -3.593 -2.240) 4.831 9.943 ( 1.981 -4.880 -4.260) 6.774 9.999 ( 4.284 -1.502 -3.454) 5.705 10.075 ( 0.776 -1.010 2.352) 2.674 10.118 ( 1.255 0.634 0.738) 1.588 10.309 ( 5.307 1.186 2.056) 5.813 10.512 ( 1.034 -4.520 1.353) 4.830 10.522 ( -4.613 1.479 -0.533) 4.873 10.684 ( -2.972 -2.777 -1.453) 4.319 10.753 ( -3.832 0.978 -1.625) 4.275 10.850 ( 0.393 -2.717 0.152) 2.749 10.976 ( -1.557 -0.210 4.575) 4.837 11.090 ( -2.605 -0.238 7.319) 7.772 11.193 ( 8.479 2.665 1.272) 8.979 11.354 ( 6.137 0.449 -0.304) 6.161 11.384 ( 6.060 -2.714 -0.759) 6.683 11.457 ( 3.215 -3.874 -1.228) 5.181 11.527 ( -1.642 1.887 -0.897) 2.657 11.731 ( -1.595 3.707 0.365) 4.052 11.834 ( 2.934 -8.162 1.749) 8.848 11.966 ( -1.012 -1.766 2.746) 3.418 12.159 ( -3.435 4.029 3.021) 6.096 12.440 ( -7.681 -2.656 -2.985) 8.658 12.958 ( 0.064 7.154 0.445) 7.169 13.390 ( -1.700 -2.210 0.869) 2.921 13.495 ( -10.591 14.402 -2.435) 18.042 13.824 ( -1.066 -1.374 0.281) 1.762 15.137 ( 2.924 0.833 -0.534) 3.087 15.524 ( 2.265 -9.245 -5.270) 10.880 15.713 ( 2.817 2.264 -0.483) 3.646 15.758 ( 4.298 1.450 -5.210) 6.908 16.195 ( 2.599 1.017 0.452) 2.827 16.293 ( -0.537 -0.209 -1.212) 1.342 16.364 ( -2.743 0.393 -0.115) 2.773 16.525 ( -3.533 -7.425 20.200) 21.810 16.946 ( 1.041 2.913 1.204) 3.320 16.961 ( -2.019 2.670 1.724) 3.766 17.126 ( -0.223 0.517 3.389) 3.435 17.305 ( 1.839 -0.466 -4.565) 4.944 17.407 ( 8.104 -7.825 -8.884) 14.347 17.520 ( 0.198 -5.090 -3.136) 5.982 17.776 ( 0.839 2.537 1.738) 3.187 17.945 ( 2.825 -5.761 4.110) 7.620 18.216 ( 3.459 2.174 -0.935) 4.191 18.327 ( 1.213 0.009 -6.499) 6.611 18.370 ( 0.134 1.220 -1.571) 1.993 18.459 ( 1.203 -2.592 5.388) 6.099 18.601 ( 1.635 3.293 1.219) 3.874 18.796 ( -3.023 -1.719 0.373) 3.498 18.988 ( -17.504 14.190 0.640) 22.542 19.162 ( -7.347 0.009 -1.811) 7.567 19.435 ( -0.224 -0.067 0.695) 0.734 19.440 ( 0.453 -0.283 -0.444) 0.695 19.468 ( 0.998 0.313 -0.560) 1.186 19.495 ( 0.135 0.884 0.428) 0.991 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 20.685 10.727 13.063) 26.712 1.431 ( 21.307 22.002 4.575) 30.968 1.934 ( 1.590 -2.305 1.273) 3.076 2.030 ( 5.174 -1.649 4.310) 6.933 2.197 ( 6.802 0.307 -0.535) 6.830 2.254 ( 4.306 4.909 -1.208) 6.641 2.342 ( 17.286 3.626 1.907) 17.764 2.398 ( 3.362 8.289 -1.760) 9.116 2.503 ( 3.363 1.706 0.406) 3.793 2.579 ( 5.086 -2.530 1.952) 6.007 2.642 ( 9.008 -6.193 0.327) 10.936 2.703 ( -0.521 -4.696 -3.482) 5.869 2.755 ( -0.994 -1.709 -0.229) 1.990 2.848 ( -0.430 -2.063 1.902) 2.839 2.940 ( -0.421 -0.038 -3.503) 3.528 2.981 ( -2.671 -1.319 -6.630) 7.268 3.053 ( -1.859 4.577 -2.075) 5.359 3.076 ( -0.535 1.288 -1.017) 1.726 3.238 ( 1.928 0.205 -1.268) 2.317 3.259 ( -5.605 -3.846 3.960) 7.867 3.314 ( 4.288 1.438 -5.682) 7.263 3.372 ( -2.084 3.933 -2.957) 5.344 3.411 ( 1.730 0.812 1.028) 2.170 3.453 ( -0.727 -1.023 -1.498) 1.955 3.523 ( -2.894 -3.320 3.237) 5.466 3.559 ( 2.394 0.965 0.239) 2.592 3.631 ( -1.491 -1.158 -3.256) 3.764 3.703 ( -1.561 -3.947 5.240) 6.743 3.734 ( -3.875 -4.164 6.022) 8.283 3.747 ( 4.507 1.016 3.941) 6.072 3.810 ( -4.869 0.175 0.509) 4.899 3.831 ( -2.576 -2.200 1.423) 3.674 3.914 ( -0.204 -1.446 -2.299) 2.723 3.974 ( -2.389 -4.589 -3.995) 6.537 4.000 ( -1.151 -0.574 -6.576) 6.701 4.031 ( -6.964 1.712 1.381) 7.303 4.061 ( 8.369 -4.851 2.843) 10.083 4.075 ( 2.034 -4.380 -3.754) 6.117 4.135 ( -2.152 -2.348 0.503) 3.224 4.151 ( -5.428 1.121 3.164) 6.382 4.255 ( 4.487 -0.672 3.805) 5.921 4.282 ( -2.705 -2.890 2.137) 4.499 4.347 ( -0.180 2.585 1.324) 2.910 4.372 ( -1.147 -2.531 -0.649) 2.854 4.436 ( 3.115 0.721 0.544) 3.244 4.482 ( -1.359 -1.235 -3.463) 3.920 4.553 ( -4.959 1.282 0.678) 5.166 4.562 ( -3.152 0.496 2.552) 4.085 4.669 ( -1.727 -4.745 -2.332) 5.562 4.721 ( -4.327 5.569 0.353) 7.062 4.760 ( 2.486 2.422 -4.914) 6.017 4.824 ( -3.370 1.934 0.580) 3.929 4.853 ( -0.482 -2.667 -1.955) 3.342 4.889 ( -1.744 -1.594 1.034) 2.579 4.956 ( -5.095 1.511 -3.594) 6.416 5.008 ( -1.774 4.488 -0.466) 4.849 5.052 ( -5.207 -0.501 -2.839) 5.952 5.100 ( -4.604 5.882 0.721) 7.504 5.145 ( -1.872 3.437 -0.835) 4.002 5.226 ( 0.972 -0.002 -3.382) 3.518 5.289 ( -2.558 -2.952 -3.124) 5.002 5.324 ( -3.418 0.200 1.787) 3.862 5.358 ( -0.332 1.517 3.487) 3.817 5.388 ( -0.305 -1.092 1.827) 2.150 5.395 ( 0.434 0.203 1.736) 1.800 5.475 ( -2.088 2.033 -3.434) 4.504 5.537 ( -4.078 6.584 -1.567) 7.901 5.563 ( 0.848 1.309 0.761) 1.736 5.573 ( -1.109 -3.106 -2.158) 3.941 5.639 ( 1.141 -2.443 0.389) 2.724 5.670 ( -1.487 1.836 6.493) 6.909 5.695 ( -2.465 0.259 -2.974) 3.872 5.761 ( 1.063 -0.019 -2.036) 2.297 5.859 ( 0.675 -0.621 3.921) 4.027 5.909 ( 0.356 -0.073 0.764) 0.846 5.918 ( 1.179 1.908 -2.554) 3.399 5.943 ( 1.826 1.535 1.132) 2.641 6.016 ( 0.701 0.636 -0.880) 1.293 6.096 ( 1.347 0.954 2.087) 2.661 6.103 ( 2.011 -0.350 0.125) 2.045 6.125 ( -0.003 -3.157 -2.347) 3.933 6.179 ( -2.842 -2.313 -1.704) 4.041 6.191 ( -1.393 -0.453 1.369) 2.005 6.245 ( -2.186 -1.414 -3.555) 4.406 6.327 ( -2.270 -1.127 2.483) 3.547 6.369 ( -4.002 -0.453 0.985) 4.146 6.407 ( 5.198 3.106 3.645) 7.068 6.462 ( 0.198 1.380 -1.024) 1.730 6.532 ( 1.099 4.753 -1.933) 5.247 6.560 ( -4.110 -1.845 0.458) 4.528 6.652 ( -2.723 2.417 4.964) 6.156 6.690 ( -0.636 1.291 2.344) 2.750 6.736 ( 0.016 0.383 -1.640) 1.684 6.772 ( -3.046 0.436 -3.363) 4.558 6.784 ( -1.511 -0.356 2.714) 3.127 6.865 ( -1.052 -1.934 3.866) 4.449 6.912 ( -3.717 0.573 -3.810) 5.353 6.922 ( 2.485 -2.087 3.037) 4.445 7.029 ( 1.400 -0.733 2.416) 2.887 7.049 ( 2.739 -0.237 5.093) 5.788 7.074 ( 2.863 3.267 3.417) 5.527 7.165 ( 0.628 -2.676 -0.946) 2.907 7.221 ( -1.414 -5.942 0.086) 6.108 7.245 ( 1.965 -2.646 -2.863) 4.366 7.302 ( 7.529 -2.841 -5.369) 9.674 7.346 ( 3.269 -1.270 -2.961) 4.590 7.370 ( 1.396 -0.403 2.205) 2.641 7.404 ( 4.860 -1.044 -2.079) 5.389 7.469 ( -1.070 2.043 3.251) 3.986 7.492 ( -0.087 3.643 -3.003) 4.722 7.555 ( 0.936 -3.047 4.671) 5.655 7.595 ( 0.789 4.780 0.433) 4.864 7.616 ( 1.493 -0.577 -3.741) 4.069 7.646 ( 1.432 0.820 0.179) 1.660 7.693 ( -7.811 2.667 -3.143) 8.832 7.760 ( -0.742 3.860 -2.188) 4.498 7.800 ( -5.751 -1.924 2.938) 6.739 7.826 ( 5.462 4.908 -0.171) 7.345 7.883 ( 3.172 0.733 2.994) 4.423 7.955 ( -0.778 -1.721 -2.047) 2.785 7.976 ( -4.435 1.555 -0.354) 4.713 8.050 ( -1.171 -1.469 5.931) 6.221 8.091 ( -2.657 3.056 -2.814) 4.931 8.159 ( 1.943 -2.476 1.151) 3.351 8.211 ( 1.832 -0.223 3.629) 4.071 8.285 ( 0.129 -1.412 -0.585) 1.534 8.339 ( 5.434 -0.812 1.131) 5.610 8.386 ( 0.149 -4.043 -0.529) 4.080 8.552 ( 1.843 4.700 3.934) 6.400 8.584 ( -1.780 -1.918 0.928) 2.777 8.599 ( -2.300 -3.539 -2.575) 4.944 8.677 ( -3.863 0.824 -5.857) 7.065 8.746 ( -1.723 0.175 -2.541) 3.075 8.864 ( 2.361 1.959 -1.175) 3.285 8.898 ( 2.589 1.210 -1.613) 3.281 8.956 ( 4.129 2.026 0.928) 4.692 9.035 ( 0.741 -0.210 -3.973) 4.047 9.080 ( 0.264 4.038 -1.688) 4.385 9.154 ( 1.140 -1.215 -0.476) 1.733 9.262 ( 3.763 0.352 -0.162) 3.783 9.320 ( 5.425 -0.052 -0.812) 5.486 9.324 ( 2.436 0.766 -0.200) 2.562 9.420 ( 3.142 -4.028 1.555) 5.340 9.509 ( -0.671 0.169 1.127) 1.322 9.516 ( 0.843 -1.985 3.152) 3.819 9.543 ( 4.485 -1.302 -0.639) 4.714 9.660 ( 1.141 -1.513 -0.611) 1.991 9.682 ( -5.651 -2.679 -0.738) 6.298 9.785 ( 1.065 -1.198 1.287) 2.056 9.849 ( 1.257 0.067 0.947) 1.575 9.962 ( 2.128 -4.787 -1.244) 5.384 10.044 ( 2.132 -2.317 -3.362) 4.606 10.078 ( -1.419 0.099 -1.004) 1.741 10.167 ( 1.846 -1.082 -0.760) 2.271 10.306 ( -7.495 -0.362 -3.246) 8.175 10.347 ( -9.240 -1.131 -6.357) 11.272 10.490 ( 2.712 3.984 3.095) 5.728 10.664 ( 0.923 -0.112 2.634) 2.793 10.709 ( -1.621 -0.982 0.984) 2.136 10.835 ( -3.677 -2.669 0.527) 4.574 11.032 ( 4.101 4.224 6.224) 8.567 11.058 ( -1.589 3.997 1.372) 4.515 11.316 ( -0.061 1.368 0.057) 1.371 11.424 ( 2.136 4.963 -1.121) 5.518 11.472 ( 4.358 -0.165 -1.621) 4.653 11.535 ( 4.342 -4.595 0.301) 6.329 11.548 ( 4.504 -0.795 -1.082) 4.700 11.699 ( -1.290 5.428 0.764) 5.631 11.887 ( 0.936 -7.519 1.132) 7.661 11.963 ( -0.454 -2.158 2.252) 3.152 12.117 ( -2.748 -2.172 2.580) 4.351 12.241 ( -9.246 -3.820 -3.385) 10.561 12.961 ( -0.007 6.848 0.379) 6.859 13.331 ( -3.339 12.240 0.218) 12.689 13.398 ( -1.221 -2.225 -0.235) 2.549 13.805 ( -0.956 -2.220 0.413) 2.453 15.180 ( 1.993 0.854 -0.868) 2.335 15.526 ( 0.837 -9.545 -2.835) 9.992 15.764 ( 1.929 2.643 0.433) 3.301 15.789 ( 1.911 3.479 -3.078) 5.023 16.248 ( 0.681 -0.232 -1.227) 1.422 16.267 ( -0.363 -0.243 -1.726) 1.780 16.318 ( 0.863 2.386 -0.251) 2.549 16.519 ( -6.806 -3.568 12.402) 14.590 16.965 ( 2.080 0.941 -2.553) 3.425 16.981 ( 0.617 0.891 2.631) 2.845 17.134 ( -0.914 2.012 2.745) 3.524 17.283 ( -0.632 1.108 -2.521) 2.825 17.458 ( 0.994 -4.280 -1.568) 4.666 17.528 ( 2.795 -6.096 -5.195) 8.483 17.806 ( 0.911 1.253 1.789) 2.367 18.010 ( 1.443 -7.670 2.200) 8.109 18.271 ( 2.092 3.088 -2.542) 4.514 18.328 ( 2.960 0.547 -3.173) 4.374 18.382 ( 1.755 1.596 -0.582) 2.442 18.506 ( 0.624 -3.836 2.550) 4.649 18.633 ( -0.544 3.263 1.578) 3.665 18.748 ( -0.383 0.198 0.872) 0.973 18.796 ( -5.054 6.661 2.394) 8.697 18.988 ( -8.784 -0.969 -1.401) 8.948 19.434 ( -0.164 -0.527 0.411) 0.688 19.439 ( -0.095 -0.851 -0.578) 1.033 19.477 ( 0.201 0.761 -0.018) 0.787 19.501 ( 0.155 1.444 0.382) 1.501 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.644 ( 0.000 5.314 0.000) 5.314 1.777 ( 0.000 8.365 0.000) 8.365 1.800 ( 0.000 16.676 0.000) 16.676 2.016 ( 0.000 6.101 0.000) 6.101 2.196 ( 0.000 2.395 0.000) 2.395 2.243 ( 0.000 -3.474 -0.000) 3.474 2.383 ( 0.000 0.213 -0.000) 0.213 2.482 ( -0.000 -2.830 -0.000) 2.830 2.523 ( 0.000 1.137 0.000) 1.137 2.686 ( -0.000 -5.992 -0.000) 5.992 2.711 ( 0.000 0.952 0.000) 0.952 2.805 ( 0.000 -2.879 0.000) 2.879 2.816 ( 0.000 -3.228 0.000) 3.228 2.843 ( 0.000 -4.457 -0.000) 4.457 2.947 ( 0.000 0.009 0.000) 0.009 2.981 ( -0.000 7.261 0.000) 7.261 2.991 ( 0.000 1.826 -0.000) 1.826 3.134 ( 0.000 0.204 -0.000) 0.204 3.193 ( 0.000 -7.408 0.000) 7.408 3.251 ( 0.000 2.906 0.000) 2.906 3.363 ( -0.000 -1.013 0.000) 1.013 3.391 ( 0.000 5.015 -0.000) 5.015 3.411 ( 0.000 1.492 -0.000) 1.492 3.414 ( -0.000 2.007 0.000) 2.007 3.490 ( -0.000 1.110 0.000) 1.110 3.601 ( 0.000 -3.522 0.000) 3.522 3.632 ( 0.000 -0.493 0.000) 0.493 3.634 ( -0.000 -5.016 -0.000) 5.016 3.750 ( 0.000 -1.208 0.000) 1.208 3.759 ( -0.000 -2.661 -0.000) 2.661 3.817 ( 0.000 -0.848 0.000) 0.848 3.866 ( 0.000 -4.684 -0.000) 4.684 3.892 ( 0.000 -3.800 -0.000) 3.800 3.932 ( -0.000 -2.199 -0.000) 2.199 3.944 ( 0.000 0.102 -0.000) 0.102 3.960 ( 0.000 1.887 0.000) 1.887 4.013 ( -0.000 -0.252 0.000) 0.252 4.110 ( 0.000 -3.385 -0.000) 3.385 4.124 ( 0.000 4.473 0.000) 4.473 4.189 ( 0.000 -4.041 0.000) 4.041 4.242 ( 0.000 -2.572 0.000) 2.572 4.331 ( 0.000 -1.831 -0.000) 1.831 4.365 ( 0.000 4.680 -0.000) 4.680 4.405 ( 0.000 6.558 -0.000) 6.558 4.419 ( 0.000 -9.698 0.000) 9.698 4.479 ( 0.000 -2.987 -0.000) 2.987 4.489 ( 0.000 1.931 0.000) 1.931 4.526 ( 0.000 -0.194 0.000) 0.194 4.592 ( -0.000 1.243 -0.000) 1.243 4.696 ( 0.000 -5.627 0.000) 5.627 4.764 ( 0.000 -3.907 0.000) 3.907 4.782 ( 0.000 -1.381 0.000) 1.381 4.796 ( 0.000 9.920 -0.000) 9.920 4.825 ( -0.000 -2.489 0.000) 2.489 4.896 ( 0.000 2.783 0.000) 2.783 4.933 ( 0.000 4.931 0.000) 4.931 5.055 ( 0.000 -4.319 -0.000) 4.319 5.064 ( 0.000 8.314 -0.000) 8.314 5.172 ( 0.000 4.890 -0.000) 4.890 5.206 ( 0.000 0.066 -0.000) 0.066 5.229 ( -0.000 -2.684 0.000) 2.684 5.275 ( 0.000 2.973 0.000) 2.973 5.369 ( 0.000 -4.556 -0.000) 4.556 5.394 ( 0.000 0.869 0.000) 0.869 5.413 ( 0.000 -0.765 0.000) 0.765 5.441 ( 0.000 5.871 -0.000) 5.871 5.489 ( 0.000 2.253 0.000) 2.253 5.576 ( 0.000 1.999 0.000) 1.999 5.588 ( -0.000 -5.391 -0.000) 5.391 5.596 ( 0.000 -2.947 0.000) 2.947 5.678 ( 0.000 -0.556 0.000) 0.556 5.731 ( 0.000 1.588 0.000) 1.588 5.796 ( 0.000 -0.921 -0.000) 0.921 5.804 ( -0.000 3.167 0.000) 3.167 5.918 ( 0.000 5.095 -0.000) 5.095 5.952 ( 0.000 -4.136 0.000) 4.136 5.995 ( 0.000 2.424 -0.000) 2.424 6.016 ( 0.000 1.628 0.000) 1.628 6.075 ( 0.000 -0.936 -0.000) 0.936 6.084 ( 0.000 3.655 0.000) 3.655 6.110 ( -0.000 -5.017 0.000) 5.017 6.133 ( 0.000 -3.498 -0.000) 3.498 6.212 ( 0.000 -0.992 -0.000) 0.992 6.243 ( 0.000 -2.873 -0.000) 2.873 6.293 ( 0.000 7.667 0.000) 7.667 6.372 ( -0.000 -1.033 -0.000) 1.033 6.381 ( 0.000 1.026 0.000) 1.026 6.481 ( 0.000 -1.206 0.000) 1.206 6.553 ( 0.000 3.458 0.000) 3.458 6.597 ( 0.000 1.133 0.000) 1.133 6.645 ( -0.000 -4.280 -0.000) 4.280 6.671 ( 0.000 6.109 -0.000) 6.109 6.674 ( 0.000 -0.202 0.000) 0.202 6.726 ( 0.000 2.503 -0.000) 2.503 6.773 ( 0.000 -0.793 0.000) 0.793 6.862 ( 0.000 -0.738 -0.000) 0.738 6.878 ( 0.000 3.570 0.000) 3.570 6.977 ( 0.000 -1.387 0.000) 1.387 7.064 ( 0.000 -9.852 0.000) 9.852 7.101 ( -0.000 -1.677 -0.000) 1.677 7.101 ( 0.000 3.286 0.000) 3.286 7.163 ( 0.000 -2.604 0.000) 2.604 7.190 ( 0.000 -4.923 -0.000) 4.923 7.317 ( 0.000 1.875 0.000) 1.875 7.333 ( 0.000 -3.154 -0.000) 3.154 7.338 ( -0.000 2.733 0.000) 2.733 7.390 ( 0.000 2.314 0.000) 2.314 7.490 ( 0.000 0.050 -0.000) 0.050 7.495 ( -0.000 2.329 0.000) 2.329 7.525 ( 0.000 0.069 0.000) 0.069 7.592 ( 0.000 1.833 -0.000) 1.833 7.603 ( 0.000 0.207 -0.000) 0.207 7.638 ( -0.000 -0.245 0.000) 0.245 7.643 ( 0.000 -2.519 -0.000) 2.519 7.660 ( 0.000 2.748 -0.000) 2.748 7.675 ( -0.000 -2.862 -0.000) 2.862 7.778 ( 0.000 1.583 0.000) 1.583 7.808 ( 0.000 -3.122 -0.000) 3.122 7.866 ( 0.000 2.692 0.000) 2.692 7.912 ( 0.000 0.108 0.000) 0.108 7.951 ( 0.000 5.069 0.000) 5.069 8.066 ( 0.000 -0.936 -0.000) 0.936 8.097 ( 0.000 2.599 0.000) 2.599 8.181 ( -0.000 0.296 -0.000) 0.296 8.206 ( 0.000 -4.951 0.000) 4.951 8.362 ( 0.000 -1.738 0.000) 1.738 8.385 ( 0.000 -2.991 -0.000) 2.991 8.429 ( 0.000 -1.707 0.000) 1.707 8.479 ( -0.000 -2.755 -0.000) 2.755 8.538 ( 0.000 -0.357 -0.000) 0.357 8.601 ( 0.000 7.740 0.000) 7.740 8.639 ( 0.000 -2.150 -0.000) 2.150 8.703 ( 0.000 1.618 -0.000) 1.618 8.848 ( 0.000 3.483 0.000) 3.483 8.908 ( 0.000 2.179 -0.000) 2.179 9.042 ( 0.000 7.349 -0.000) 7.349 9.049 ( 0.000 -1.166 0.000) 1.166 9.103 ( -0.000 -3.180 -0.000) 3.180 9.108 ( 0.000 3.635 0.000) 3.635 9.290 ( 0.000 1.874 0.000) 1.874 9.336 ( 0.000 -1.684 0.000) 1.684 9.443 ( 0.000 -2.700 0.000) 2.700 9.444 ( -0.000 -5.139 -0.000) 5.139 9.471 ( -0.000 -2.763 0.000) 2.763 9.514 ( 0.000 -1.602 0.000) 1.602 9.585 ( 0.000 -1.570 -0.000) 1.570 9.652 ( 0.000 -1.083 0.000) 1.083 9.732 ( 0.000 -3.823 0.000) 3.823 9.837 ( 0.000 -2.148 0.000) 2.148 9.878 ( 0.000 -0.696 0.000) 0.696 9.991 ( 0.000 1.860 -0.000) 1.860 10.006 ( 0.000 -0.129 0.000) 0.129 10.064 ( 0.000 -6.311 -0.000) 6.311 10.077 ( 0.000 2.169 -0.000) 2.169 10.234 ( 0.000 -1.472 0.000) 1.472 10.248 ( 0.000 -1.309 0.000) 1.309 10.533 ( 0.000 4.789 0.000) 4.789 10.700 ( 0.000 -2.793 0.000) 2.793 10.711 ( 0.000 -0.220 0.000) 0.220 10.769 ( 0.000 -0.147 0.000) 0.147 11.033 ( 0.000 4.785 -0.000) 4.785 11.174 ( 0.000 3.079 0.000) 3.079 11.223 ( -0.000 7.959 -0.000) 7.959 11.486 ( -0.000 2.646 -0.000) 2.646 11.492 ( 0.000 -1.566 0.000) 1.566 11.577 ( 0.000 -2.067 0.000) 2.067 11.602 ( 0.000 -0.035 -0.000) 0.035 11.706 ( 0.000 3.990 0.000) 3.990 11.888 ( 0.000 -6.237 -0.000) 6.237 11.967 ( 0.000 -1.440 -0.000) 1.440 12.092 ( 0.000 -3.288 0.000) 3.288 12.126 ( 0.000 -6.284 0.000) 6.284 12.962 ( 0.000 6.812 0.000) 6.812 13.299 ( 0.000 12.837 -0.000) 12.837 13.387 ( 0.000 -4.049 -0.000) 4.049 13.796 ( 0.000 -2.608 0.000) 2.608 15.198 ( 0.000 0.949 0.000) 0.949 15.525 ( 0.000 -9.732 0.000) 9.732 15.784 ( 0.000 2.385 0.000) 2.385 15.799 ( 0.000 4.133 -0.000) 4.133 16.231 ( 0.000 0.202 0.000) 0.202 16.254 ( 0.000 -0.819 0.000) 0.819 16.371 ( 0.000 1.258 -0.000) 1.258 16.464 ( -0.000 -0.279 0.000) 0.279 16.981 ( 0.000 0.222 0.000) 0.222 16.996 ( 0.000 0.192 -0.000) 0.192 17.131 ( 0.000 2.576 0.000) 2.576 17.268 ( 0.000 1.672 -0.000) 1.672 17.461 ( 0.000 -3.640 -0.000) 3.640 17.540 ( 0.000 -5.380 0.000) 5.380 17.822 ( 0.000 0.504 0.000) 0.504 18.029 ( 0.000 -6.856 0.000) 6.856 18.278 ( 0.000 4.066 -0.000) 4.066 18.353 ( 0.000 0.105 -0.000) 0.105 18.422 ( 0.000 0.184 -0.000) 0.184 18.504 ( 0.000 -4.826 0.000) 4.826 18.615 ( 0.000 5.436 -0.000) 5.436 18.759 ( 0.000 3.203 0.000) 3.203 18.818 ( 0.000 -0.225 0.000) 0.225 18.839 ( -0.000 -0.928 -0.000) 0.928 19.434 ( 0.000 -0.663 0.000) 0.663 19.435 ( 0.000 -1.356 -0.000) 1.356 19.478 ( 0.000 1.102 -0.000) 1.102 19.504 ( 0.000 1.623 0.000) 1.623 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( 0.000 25.650 0.000) 25.650 1.034 ( 0.000 25.717 0.000) 25.717 1.407 ( 0.000 -16.687 0.000) 16.687 1.483 ( 0.000 -23.207 0.000) 23.207 1.928 ( 0.000 24.020 0.000) 24.020 1.955 ( 0.000 1.371 0.000) 1.371 2.009 ( 0.000 18.565 0.000) 18.565 2.423 ( 0.000 0.704 0.000) 0.704 2.486 ( 0.000 1.180 0.000) 1.180 2.523 ( 0.000 -4.004 0.000) 4.004 2.563 ( 0.000 -4.130 0.000) 4.130 2.667 ( 0.000 -17.315 0.000) 17.315 2.864 ( 0.000 5.109 0.000) 5.109 2.927 ( 0.000 4.953 0.000) 4.953 2.991 ( 0.000 -3.775 0.000) 3.775 3.082 ( 0.000 1.755 0.000) 1.755 3.087 ( 0.000 -7.923 0.000) 7.923 3.119 ( 0.000 -3.973 0.000) 3.973 3.224 ( 0.000 -1.818 0.000) 1.818 3.225 ( 0.000 2.042 0.000) 2.042 3.336 ( 0.000 -1.753 0.000) 1.753 3.442 ( 0.000 -9.892 0.000) 9.892 3.442 ( 0.000 5.930 0.000) 5.930 3.520 ( 0.000 -1.904 0.000) 1.904 3.541 ( 0.000 5.667 0.000) 5.667 3.577 ( 0.000 2.198 0.000) 2.198 3.607 ( 0.000 1.499 0.000) 1.499 3.644 ( 0.000 -4.018 0.000) 4.018 3.652 ( 0.000 -0.165 0.000) 0.165 3.780 ( 0.000 -7.711 0.000) 7.711 3.804 ( 0.000 -3.871 0.000) 3.871 3.811 ( 0.000 -2.225 0.000) 2.225 3.963 ( 0.000 4.367 0.000) 4.367 4.022 ( 0.000 -1.950 0.000) 1.950 4.043 ( 0.000 1.476 0.000) 1.476 4.055 ( 0.000 -0.512 0.000) 0.512 4.121 ( 0.000 -1.254 0.000) 1.254 4.139 ( 0.000 0.764 0.000) 0.764 4.190 ( 0.000 2.557 0.000) 2.557 4.236 ( 0.000 -2.178 0.000) 2.178 4.277 ( 0.000 3.842 0.000) 3.842 4.359 ( 0.000 -3.788 0.000) 3.788 4.387 ( 0.000 1.338 0.000) 1.338 4.436 ( 0.000 -3.601 0.000) 3.601 4.473 ( 0.000 2.918 0.000) 2.918 4.533 ( 0.000 -3.462 0.000) 3.462 4.549 ( 0.000 4.887 0.000) 4.887 4.575 ( 0.000 1.320 0.000) 1.320 4.609 ( 0.000 -1.708 0.000) 1.708 4.662 ( 0.000 -6.567 0.000) 6.567 4.868 ( 0.000 0.918 0.000) 0.918 4.878 ( 0.000 3.082 0.000) 3.082 4.906 ( 0.000 2.366 0.000) 2.366 4.918 ( 0.000 0.296 0.000) 0.296 4.957 ( 0.000 4.229 0.000) 4.229 4.992 ( 0.000 -0.472 0.000) 0.472 5.082 ( 0.000 5.327 0.000) 5.327 5.176 ( 0.000 -1.728 0.000) 1.728 5.222 ( 0.000 -1.440 0.000) 1.440 5.241 ( 0.000 -2.020 0.000) 2.020 5.347 ( 0.000 0.416 0.000) 0.416 5.362 ( 0.000 0.743 0.000) 0.743 5.402 ( 0.000 3.394 0.000) 3.394 5.526 ( 0.000 -6.129 0.000) 6.129 5.545 ( 0.000 4.012 0.000) 4.012 5.571 ( 0.000 1.426 0.000) 1.426 5.585 ( 0.000 3.198 0.000) 3.198 5.616 ( 0.000 -0.548 0.000) 0.548 5.672 ( 0.000 -0.560 0.000) 0.560 5.710 ( 0.000 -0.892 0.000) 0.892 5.749 ( 0.000 5.993 0.000) 5.993 5.762 ( 0.000 2.696 0.000) 2.696 5.790 ( 0.000 1.601 0.000) 1.601 5.844 ( 0.000 0.124 0.000) 0.124 5.851 ( 0.000 0.250 0.000) 0.250 5.900 ( 0.000 -7.950 0.000) 7.950 5.928 ( 0.000 -2.029 0.000) 2.029 5.935 ( 0.000 2.005 0.000) 2.005 5.971 ( 0.000 -1.082 0.000) 1.082 6.043 ( 0.000 -5.559 0.000) 5.559 6.119 ( 0.000 4.517 0.000) 4.517 6.187 ( 0.000 0.416 0.000) 0.416 6.207 ( 0.000 -4.045 0.000) 4.045 6.233 ( 0.000 -3.937 0.000) 3.937 6.292 ( 0.000 -0.278 0.000) 0.278 6.299 ( 0.000 -1.294 0.000) 1.294 6.425 ( 0.000 8.433 0.000) 8.433 6.520 ( 0.000 1.223 0.000) 1.223 6.548 ( 0.000 -1.167 0.000) 1.167 6.593 ( 0.000 -7.559 0.000) 7.559 6.718 ( 0.000 2.402 0.000) 2.402 6.725 ( 0.000 2.227 0.000) 2.227 6.813 ( 0.000 0.774 0.000) 0.774 6.829 ( 0.000 7.379 0.000) 7.379 6.876 ( 0.000 -0.261 0.000) 0.261 6.904 ( 0.000 1.859 0.000) 1.859 6.922 ( 0.000 0.738 0.000) 0.738 6.923 ( 0.000 3.320 0.000) 3.320 6.937 ( 0.000 -1.776 0.000) 1.776 7.055 ( 0.000 3.851 0.000) 3.851 7.066 ( 0.000 -11.380 0.000) 11.380 7.142 ( 0.000 -2.973 0.000) 2.973 7.178 ( 0.000 -2.742 0.000) 2.742 7.195 ( 0.000 -2.660 0.000) 2.660 7.252 ( 0.000 3.809 0.000) 3.809 7.294 ( 0.000 0.286 0.000) 0.286 7.362 ( 0.000 1.842 0.000) 1.842 7.443 ( 0.000 -4.924 0.000) 4.924 7.456 ( 0.000 4.725 0.000) 4.725 7.468 ( 0.000 -1.256 0.000) 1.256 7.507 ( 0.000 1.941 0.000) 1.941 7.602 ( 0.000 -5.687 0.000) 5.687 7.650 ( 0.000 0.904 0.000) 0.904 7.665 ( 0.000 0.194 0.000) 0.194 7.799 ( 0.000 3.237 0.000) 3.237 7.810 ( 0.000 1.113 0.000) 1.113 7.851 ( 0.000 3.323 0.000) 3.323 7.907 ( 0.000 -2.409 0.000) 2.409 7.917 ( 0.000 4.633 0.000) 4.633 7.962 ( 0.000 -1.210 0.000) 1.210 7.985 ( 0.000 2.012 0.000) 2.012 8.030 ( 0.000 -2.991 0.000) 2.991 8.108 ( 0.000 8.524 0.000) 8.524 8.160 ( 0.000 -1.653 0.000) 1.653 8.219 ( 0.000 1.659 0.000) 1.659 8.294 ( 0.000 1.644 0.000) 1.644 8.308 ( 0.000 -2.219 0.000) 2.219 8.328 ( 0.000 4.646 0.000) 4.646 8.376 ( 0.000 -8.099 0.000) 8.099 8.444 ( 0.000 5.665 0.000) 5.665 8.472 ( 0.000 -8.303 0.000) 8.303 8.607 ( 0.000 -10.731 0.000) 10.731 8.705 ( 0.000 2.922 0.000) 2.922 8.734 ( 0.000 8.073 0.000) 8.073 8.745 ( 0.000 -2.080 0.000) 2.080 8.896 ( 0.000 -7.949 0.000) 7.949 9.061 ( 0.000 2.564 0.000) 2.564 9.081 ( 0.000 2.055 0.000) 2.055 9.115 ( 0.000 0.982 0.000) 0.982 9.158 ( 0.000 -3.227 0.000) 3.227 9.331 ( 0.000 2.330 0.000) 2.330 9.359 ( 0.000 -0.579 0.000) 0.579 9.389 ( 0.000 3.270 0.000) 3.270 9.430 ( 0.000 -1.228 0.000) 1.228 9.561 ( 0.000 2.907 0.000) 2.907 9.612 ( 0.000 -2.904 0.000) 2.904 9.639 ( 0.000 4.915 0.000) 4.915 9.737 ( 0.000 1.791 0.000) 1.791 9.758 ( 0.000 -6.428 0.000) 6.428 9.796 ( 0.000 -4.996 0.000) 4.996 9.898 ( 0.000 0.240 0.000) 0.240 9.919 ( 0.000 -1.783 0.000) 1.783 10.081 ( 0.000 3.173 0.000) 3.173 10.135 ( 0.000 -1.596 0.000) 1.596 10.260 ( 0.000 1.868 0.000) 1.868 10.288 ( 0.000 -1.559 0.000) 1.559 10.592 ( 0.000 1.810 0.000) 1.810 10.642 ( 0.000 -3.452 0.000) 3.452 10.834 ( 0.000 -0.323 0.000) 0.323 10.847 ( 0.000 -1.438 0.000) 1.438 11.001 ( 0.000 3.755 0.000) 3.755 11.063 ( 0.000 -2.942 0.000) 2.942 11.182 ( 0.000 6.311 0.000) 6.311 11.269 ( 0.000 -1.657 0.000) 1.657 11.348 ( 0.000 -0.172 0.000) 0.172 11.351 ( 0.000 -2.261 0.000) 2.261 11.562 ( 0.000 1.821 0.000) 1.821 11.631 ( 0.000 -5.649 0.000) 5.649 11.854 ( 0.000 4.430 0.000) 4.430 11.924 ( 0.000 -3.122 0.000) 3.122 12.354 ( 0.000 7.638 0.000) 7.638 12.467 ( 0.000 -4.750 0.000) 4.750 13.121 ( 0.000 9.816 0.000) 9.816 13.288 ( 0.000 -7.966 0.000) 7.966 13.773 ( 0.000 2.148 0.000) 2.148 13.810 ( 0.000 -1.780 0.000) 1.780 15.195 ( 0.000 7.577 0.000) 7.577 15.347 ( 0.000 -8.670 0.000) 8.670 15.711 ( 0.000 0.599 0.000) 0.599 15.711 ( 0.000 0.388 0.000) 0.388 16.196 ( 0.000 1.933 0.000) 1.933 16.236 ( 0.000 -2.334 0.000) 2.334 16.420 ( 0.000 1.853 0.000) 1.853 16.450 ( 0.000 -1.371 0.000) 1.371 17.007 ( 0.000 4.072 0.000) 4.072 17.066 ( 0.000 -2.615 0.000) 2.615 17.083 ( 0.000 4.683 0.000) 4.683 17.185 ( 0.000 -5.285 0.000) 5.285 17.353 ( 0.000 3.019 0.000) 3.019 17.436 ( 0.000 -5.436 0.000) 5.436 17.817 ( 0.000 2.846 0.000) 2.846 17.863 ( 0.000 -2.134 0.000) 2.134 18.240 ( 0.000 3.515 0.000) 3.515 18.302 ( 0.000 -3.036 0.000) 3.036 18.377 ( 0.000 0.319 0.000) 0.319 18.392 ( 0.000 -1.070 0.000) 1.070 18.669 ( 0.000 5.201 0.000) 5.201 18.760 ( 0.000 -4.524 0.000) 4.524 19.270 ( 0.000 1.621 0.000) 1.621 19.305 ( 0.000 -2.141 0.000) 2.141 19.419 ( 0.000 -0.040 0.000) 0.040 19.421 ( 0.000 -0.279 0.000) 0.279 19.475 ( 0.000 1.376 0.000) 1.376 19.493 ( 0.000 -0.487 0.000) 0.487 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.17 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.176 ( 11.747 20.765 7.924) 25.139 1.380 ( 22.784 16.317 11.494) 30.290 1.551 ( 11.789 -12.813 6.417) 18.556 1.740 ( 19.709 -14.347 8.169) 25.710 2.022 ( 10.368 4.906 -2.346) 11.708 2.056 ( 8.741 -1.328 -1.151) 8.916 2.128 ( 14.132 30.072 2.922) 33.355 2.430 ( 2.137 -0.070 -3.797) 4.358 2.503 ( -1.746 -1.648 -0.441) 2.441 2.516 ( 1.978 0.716 2.800) 3.502 2.572 ( 0.831 -1.652 -2.082) 2.785 2.686 ( -0.926 -7.123 1.990) 7.454 2.786 ( -3.620 0.697 -2.836) 4.651 2.884 ( -4.284 -6.267 -6.554) 10.029 2.988 ( 4.248 7.533 -3.268) 9.245 3.055 ( -2.915 0.329 -2.474) 3.837 3.092 ( -2.041 -2.033 -2.911) 4.095 3.168 ( 4.197 -4.346 -4.534) 7.554 3.182 ( -3.179 -0.852 -1.387) 3.571 3.202 ( 2.932 -8.761 3.559) 9.900 3.293 ( -3.580 -0.179 1.761) 3.993 3.397 ( -5.932 -7.255 -2.172) 9.620 3.446 ( 1.289 3.449 0.866) 3.782 3.518 ( -0.867 -2.699 -0.335) 2.855 3.561 ( -2.090 6.944 0.516) 7.270 3.584 ( -3.220 1.745 -1.144) 3.837 3.601 ( 0.544 3.867 -0.598) 3.951 3.640 ( 2.171 -0.719 -0.137) 2.291 3.674 ( 2.255 -1.960 1.693) 3.434 3.699 ( -1.038 -2.679 -9.493) 9.919 3.791 ( -0.156 -4.032 3.641) 5.435 3.828 ( -1.713 -3.253 6.807) 7.736 3.876 ( -8.084 -3.329 5.508) 10.333 3.919 ( -11.025 -2.672 4.941) 12.374 4.028 ( -0.851 1.316 -7.348) 7.514 4.046 ( 0.149 0.874 -3.458) 3.570 4.054 ( -1.887 -1.074 -6.577) 6.926 4.112 ( -1.696 -4.695 0.771) 5.051 4.189 ( -0.163 1.826 -0.578) 1.922 4.234 ( -1.005 -0.914 1.362) 1.923 4.284 ( -0.795 6.025 1.651) 6.298 4.309 ( -3.763 1.448 -0.017) 4.032 4.337 ( -2.618 -0.685 1.902) 3.308 4.394 ( -3.193 -4.496 4.480) 7.105 4.460 ( 1.632 5.953 -4.711) 7.765 4.514 ( 0.358 3.061 -4.380) 5.356 4.564 ( 2.197 -2.168 -2.115) 3.741 4.597 ( 2.101 -5.068 -3.498) 6.507 4.644 ( -1.630 2.634 0.765) 3.191 4.719 ( -7.225 -0.328 -0.471) 7.248 4.757 ( 2.624 -2.503 3.381) 4.958 4.802 ( -0.408 -3.444 1.481) 3.771 4.941 ( -1.378 5.430 6.523) 8.598 5.000 ( -0.675 4.244 4.692) 6.362 5.030 ( 2.842 0.389 1.360) 3.174 5.060 ( 3.090 -0.042 1.326) 3.363 5.103 ( -0.108 0.404 1.379) 1.441 5.128 ( -1.960 -0.474 -5.417) 5.780 5.215 ( 0.927 0.274 1.153) 1.505 5.260 ( -2.224 -2.616 -0.302) 3.447 5.316 ( -0.093 3.425 1.680) 3.816 5.371 ( 0.953 -2.365 0.835) 2.683 5.405 ( -0.694 5.592 0.935) 5.712 5.504 ( -4.272 0.871 -0.844) 4.441 5.523 ( -2.410 4.781 -3.428) 6.357 5.554 ( -3.359 1.407 -1.128) 3.813 5.566 ( -5.692 4.128 0.650) 7.062 5.606 ( -1.315 -2.324 -7.395) 7.862 5.619 ( 1.035 -3.701 2.724) 4.710 5.667 ( -0.244 -2.193 -1.256) 2.539 5.726 ( -1.181 3.202 -3.312) 4.756 5.748 ( -1.113 1.841 1.459) 2.599 5.769 ( -1.486 -1.687 -1.539) 2.725 5.781 ( -5.999 -0.644 0.134) 6.035 5.841 ( 0.346 -0.491 -1.424) 1.545 5.902 ( 4.047 -5.692 4.224) 8.162 5.945 ( 2.039 -0.573 -3.719) 4.280 5.963 ( 0.920 -1.393 -0.056) 1.671 6.018 ( 5.997 4.639 3.082) 8.184 6.080 ( -0.327 3.267 -1.669) 3.683 6.119 ( 3.005 -3.280 -0.940) 4.547 6.153 ( -1.260 -1.785 -4.329) 4.849 6.207 ( -0.036 0.347 1.326) 1.371 6.266 ( -1.285 -4.258 3.650) 5.754 6.335 ( 4.746 2.163 -2.477) 5.774 6.343 ( 4.755 1.018 -0.280) 4.871 6.495 ( 4.295 3.281 -0.184) 5.408 6.512 ( -1.861 -0.150 -0.170) 1.875 6.543 ( -3.964 -1.966 0.279) 4.434 6.589 ( -6.312 1.060 -1.399) 6.552 6.653 ( -1.254 -0.697 2.147) 2.582 6.707 ( 0.978 1.650 -1.312) 2.324 6.755 ( -3.758 -1.547 -0.984) 4.181 6.790 ( -3.361 -3.434 2.970) 5.649 6.809 ( -3.409 2.289 1.685) 4.438 6.862 ( -3.715 0.672 1.973) 4.260 6.946 ( 0.688 -0.934 0.167) 1.172 6.963 ( -0.684 -0.369 0.458) 0.902 6.999 ( 3.651 1.939 6.375) 7.598 7.010 ( 0.876 -1.666 8.081) 8.298 7.041 ( -0.750 3.732 -3.500) 5.171 7.142 ( -0.612 -1.321 1.939) 2.425 7.163 ( -2.983 -3.739 1.210) 4.934 7.174 ( -3.527 -1.591 0.404) 3.890 7.215 ( -0.468 2.606 -0.534) 2.701 7.308 ( 1.357 -2.827 1.932) 3.683 7.360 ( 3.039 4.551 -5.825) 7.992 7.416 ( -2.648 3.000 0.175) 4.005 7.459 ( -0.686 -4.853 -3.150) 5.826 7.488 ( 1.197 -5.815 -0.022) 5.937 7.570 ( -0.396 -0.053 1.629) 1.677 7.575 ( 1.132 -0.009 1.434) 1.827 7.675 ( 0.288 3.783 -3.960) 5.484 7.687 ( -2.574 2.537 3.423) 4.978 7.768 ( 0.348 2.354 0.074) 2.381 7.799 ( 2.430 -1.012 -0.134) 2.635 7.835 ( 1.138 1.774 -3.347) 3.955 7.861 ( -4.101 -0.368 -0.576) 4.158 7.912 ( -0.140 2.901 -1.716) 3.373 7.933 ( -0.818 -1.007 0.759) 1.503 7.985 ( -0.449 2.470 2.279) 3.391 8.014 ( 1.852 -1.309 1.251) 2.590 8.121 ( -1.810 2.092 1.623) 3.207 8.162 ( 2.072 -2.623 2.124) 3.960 8.227 ( -0.758 3.115 -0.577) 3.258 8.273 ( -1.937 0.947 -0.172) 2.162 8.302 ( 1.951 3.529 -1.069) 4.172 8.403 ( -3.520 -2.658 2.712) 5.178 8.417 ( 3.766 -1.080 -1.742) 4.288 8.521 ( 8.283 -3.990 0.381) 9.202 8.603 ( 4.220 -2.092 -4.681) 6.641 8.612 ( 7.031 -3.121 0.371) 7.702 8.741 ( 2.615 4.220 0.077) 4.965 8.777 ( 5.991 2.302 -2.426) 6.861 8.836 ( 6.669 -2.618 0.178) 7.167 8.879 ( -0.041 -6.686 -1.121) 6.779 9.036 ( -0.247 3.473 -3.796) 5.151 9.089 ( 0.630 -1.855 -4.630) 5.027 9.165 ( 5.122 2.886 3.286) 6.735 9.205 ( 4.973 -2.211 2.338) 5.924 9.270 ( -3.787 2.708 -0.541) 4.687 9.296 ( -3.002 -0.071 -3.160) 4.359 9.411 ( 0.177 2.015 1.117) 2.311 9.433 ( -0.095 -0.366 1.984) 2.020 9.542 ( -2.718 3.225 1.557) 4.496 9.604 ( -2.019 0.569 -0.271) 2.115 9.659 ( -1.858 -1.704 2.052) 3.251 9.700 ( -3.556 -4.616 2.213) 6.233 9.735 ( 0.658 0.461 -0.392) 0.894 9.785 ( -0.052 -4.032 -0.272) 4.042 9.903 ( 1.468 0.945 -4.913) 5.213 9.950 ( 2.768 -3.399 -3.252) 5.457 10.088 ( 0.644 2.050 1.409) 2.570 10.120 ( 0.187 -0.857 0.737) 1.146 10.348 ( 5.021 3.010 2.221) 6.261 10.421 ( 5.558 -4.884 3.210) 8.065 10.565 ( -3.102 3.075 -0.817) 4.443 10.626 ( -2.256 -3.393 -1.771) 4.443 10.770 ( -2.756 1.048 -3.365) 4.474 10.798 ( -1.178 -2.246 -4.979) 5.587 11.012 ( 0.081 3.152 8.272) 8.853 11.067 ( -0.089 -2.384 7.999) 8.347 11.258 ( 4.820 3.971 0.533) 6.268 11.330 ( 2.930 -3.581 -0.339) 4.639 11.377 ( 6.231 1.506 -2.020) 6.721 11.405 ( 5.547 -1.506 -2.987) 6.478 11.570 ( 0.630 3.533 0.518) 3.626 11.667 ( 2.760 -6.880 1.526) 7.569 11.838 ( -1.701 4.814 0.631) 5.145 11.917 ( -1.370 -3.593 1.822) 4.255 12.271 ( -7.121 6.547 -1.341) 9.766 12.375 ( -8.031 -4.663 -2.395) 9.590 13.120 ( -0.219 9.679 0.353) 9.688 13.285 ( -0.395 -7.848 0.318) 7.865 13.690 ( -6.405 7.095 -0.405) 9.567 13.782 ( -2.570 -3.407 0.250) 4.275 15.206 ( 1.325 6.391 -0.891) 6.587 15.352 ( 0.932 -9.130 -2.220) 9.442 15.751 ( 3.415 1.574 0.277) 3.770 15.768 ( 4.090 -0.280 -0.602) 4.144 16.223 ( 1.961 2.017 1.391) 3.138 16.265 ( 1.081 -2.340 1.748) 3.114 16.390 ( -2.173 2.117 -0.830) 3.145 16.436 ( -1.652 -3.096 3.213) 4.758 16.993 ( -1.684 1.679 2.542) 3.481 17.001 ( -1.810 1.145 -0.702) 2.254 17.159 ( 3.532 3.895 0.945) 5.343 17.263 ( 7.138 -6.461 -4.207) 10.507 17.342 ( -0.795 2.751 -0.395) 2.890 17.421 ( -1.617 -5.311 0.983) 5.638 17.825 ( 0.583 2.777 0.596) 2.900 17.876 ( 0.979 -2.910 0.959) 3.217 18.264 ( 2.992 2.878 -1.813) 4.530 18.310 ( 2.314 -1.846 -4.509) 5.394 18.384 ( 0.730 0.902 0.214) 1.180 18.411 ( 0.703 -2.135 2.764) 3.562 18.674 ( 0.231 4.295 1.297) 4.493 18.747 ( -1.369 -3.494 1.007) 3.886 19.127 ( -12.586 3.321 -2.006) 13.170 19.158 ( -9.236 -0.659 -1.992) 9.471 19.430 ( 0.017 -0.022 0.268) 0.269 19.435 ( 0.053 -0.429 0.099) 0.444 19.484 ( 0.687 1.284 0.465) 1.529 19.502 ( 0.482 -0.360 0.699) 0.923 ======================= Grid point 16 (11/48) ======================= q-point: ( 0.33 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.513 ( 15.379 14.054 10.692) 23.417 1.741 ( 10.834 -6.992 10.257) 16.477 1.897 ( 15.767 17.188 3.012) 23.518 2.088 ( 9.497 3.083 2.638) 10.328 2.200 ( 7.515 -0.555 -1.598) 7.703 2.277 ( 8.912 -10.194 -0.678) 13.557 2.399 ( -6.862 1.269 -4.286) 8.190 2.459 ( 4.862 7.540 -4.817) 10.183 2.478 ( 7.753 -6.058 -2.415) 10.131 2.530 ( 1.186 1.062 -2.814) 3.233 2.647 ( 4.791 2.293 5.350) 7.539 2.689 ( 2.583 4.384 2.467) 5.655 2.722 ( -0.998 -2.521 1.374) 3.040 2.788 ( -2.314 -5.107 -3.198) 6.455 2.965 ( -0.695 2.558 -4.592) 5.302 2.989 ( 1.581 3.248 -1.596) 3.949 3.099 ( -3.146 -1.909 0.891) 3.786 3.134 ( -2.939 1.141 -0.967) 3.298 3.162 ( 0.264 2.817 -2.212) 3.591 3.258 ( 1.791 0.622 -2.284) 2.968 3.273 ( 3.726 -3.232 -3.857) 6.261 3.388 ( 7.752 -7.453 7.154) 12.916 3.459 ( -4.047 4.319 0.306) 5.926 3.482 ( -0.959 1.133 -0.028) 1.485 3.511 ( 1.850 1.186 -3.126) 3.821 3.552 ( 0.862 -4.730 0.098) 4.809 3.596 ( 1.568 -1.259 -4.110) 4.576 3.617 ( 0.841 2.315 -0.558) 2.526 3.662 ( -2.824 -1.220 3.408) 4.591 3.703 ( -6.885 -8.295 3.663) 11.386 3.766 ( -0.075 -0.367 2.487) 2.515 3.818 ( 0.337 -1.333 5.030) 5.214 3.851 ( 2.966 -3.047 -1.538) 4.521 3.909 ( 0.954 -4.073 2.472) 4.860 3.951 ( -3.396 1.310 -5.860) 6.899 3.976 ( 1.372 -1.730 -2.804) 3.569 4.027 ( 0.041 -0.816 -0.098) 0.822 4.063 ( -4.915 -2.233 1.725) 5.667 4.148 ( -5.915 3.521 1.651) 7.079 4.183 ( -3.195 0.917 0.722) 3.401 4.243 ( -2.403 1.259 1.401) 3.053 4.277 ( -3.288 -1.530 1.019) 3.767 4.334 ( 0.660 0.239 0.563) 0.900 4.382 ( -1.721 -4.516 5.381) 7.233 4.440 ( 0.170 5.892 -1.383) 6.055 4.497 ( 1.124 1.839 -2.605) 3.381 4.558 ( -1.455 -0.850 -1.994) 2.610 4.568 ( -2.674 -1.406 -1.653) 3.444 4.617 ( 1.595 1.023 -1.775) 2.596 4.703 ( 4.262 -6.251 -2.914) 8.107 4.798 ( -1.365 1.746 -0.420) 2.256 4.819 ( -1.244 0.475 -0.372) 1.382 4.866 ( -8.821 1.142 1.420) 9.007 4.897 ( -9.303 0.066 2.169) 9.553 4.995 ( -2.893 3.932 -1.927) 5.248 5.069 ( -3.110 0.369 -2.707) 4.140 5.104 ( -1.497 3.298 3.387) 4.959 5.140 ( 0.374 -0.119 4.421) 4.439 5.177 ( -1.499 -1.227 -3.239) 3.774 5.222 ( -0.830 -3.970 -4.913) 6.371 5.279 ( -6.770 7.496 -1.053) 10.156 5.337 ( 1.045 1.327 1.247) 2.100 5.373 ( -4.554 0.263 1.021) 4.674 5.399 ( -0.246 3.201 -3.387) 4.667 5.450 ( -1.274 3.440 -3.118) 4.815 5.481 ( -1.219 -4.642 5.031) 6.953 5.517 ( -2.301 -3.767 0.262) 4.422 5.536 ( -3.451 -0.214 -7.371) 8.142 5.608 ( -1.046 2.146 1.175) 2.661 5.646 ( -1.384 -2.717 1.926) 3.606 5.703 ( 0.334 1.978 -1.199) 2.337 5.713 ( -0.656 1.937 -2.135) 2.956 5.798 ( 3.276 2.969 0.386) 4.438 5.811 ( 4.425 -1.239 4.681) 6.560 5.862 ( 2.187 0.724 2.016) 3.061 5.943 ( -0.874 -2.512 -1.587) 3.097 5.963 ( -0.861 1.846 -0.736) 2.166 6.035 ( 2.133 -4.023 4.198) 6.193 6.057 ( 1.110 0.274 -3.387) 3.575 6.084 ( -4.437 -1.528 -3.007) 5.573 6.153 ( 3.637 3.137 -0.973) 4.901 6.174 ( -0.863 -0.087 -2.381) 2.534 6.183 ( 1.369 -0.325 -1.644) 2.164 6.237 ( -6.896 -2.593 -0.474) 7.383 6.298 ( 1.227 5.635 -0.041) 5.767 6.395 ( -0.045 -1.075 1.751) 2.055 6.452 ( 4.485 1.853 3.837) 6.186 6.498 ( -0.767 -3.500 0.520) 3.620 6.517 ( -1.583 3.239 -0.286) 3.616 6.564 ( 1.888 -0.764 -2.140) 2.954 6.640 ( -0.311 -1.166 -0.643) 1.367 6.688 ( -3.048 -2.711 -2.163) 4.617 6.751 ( -1.742 -0.425 2.899) 3.408 6.773 ( 0.061 -0.682 2.447) 2.541 6.812 ( 1.301 2.789 1.833) 3.582 6.817 ( -1.330 -0.963 3.795) 4.135 6.926 ( -2.664 3.242 -1.430) 4.433 6.941 ( -2.430 2.352 3.802) 5.089 6.981 ( -2.873 -1.905 2.239) 4.110 7.049 ( -0.274 -4.789 -2.459) 5.391 7.092 ( 0.795 0.713 3.366) 3.532 7.139 ( 0.123 -1.982 -0.783) 2.134 7.192 ( 4.781 5.791 4.535) 8.773 7.221 ( 4.926 -0.872 1.186) 5.141 7.251 ( 4.993 -0.638 -1.892) 5.377 7.339 ( 2.042 -2.236 -1.421) 3.345 7.377 ( 2.438 1.519 -1.295) 3.151 7.399 ( 2.778 -1.017 0.899) 3.091 7.458 ( 2.710 -2.442 0.542) 3.688 7.490 ( -0.601 -3.933 0.981) 4.098 7.550 ( 0.828 1.058 1.323) 1.886 7.593 ( -1.218 -0.606 3.587) 3.836 7.630 ( -1.932 3.600 -2.694) 4.894 7.687 ( -1.566 0.436 2.660) 3.117 7.731 ( -2.976 1.568 -4.907) 5.950 7.758 ( -3.160 -2.258 -4.200) 5.720 7.814 ( -5.148 1.938 1.765) 5.777 7.854 ( -2.899 -1.475 -1.033) 3.412 7.902 ( 2.307 1.873 0.459) 3.007 7.931 ( -0.287 -0.778 -1.275) 1.520 8.027 ( -0.570 1.233 3.641) 3.886 8.068 ( 1.587 -3.083 0.902) 3.583 8.100 ( 1.923 7.374 1.944) 7.864 8.172 ( -0.034 1.094 -2.304) 2.550 8.237 ( 0.813 1.022 0.302) 1.341 8.276 ( 2.472 -2.152 -1.071) 3.448 8.317 ( -3.031 2.054 2.600) 4.490 8.377 ( 3.766 2.830 2.716) 5.438 8.462 ( -0.933 -6.035 -3.219) 6.903 8.522 ( -0.088 -6.172 -1.646) 6.388 8.640 ( -0.643 3.573 -1.098) 3.793 8.688 ( -1.430 -1.412 -0.657) 2.114 8.802 ( 2.026 5.938 -2.978) 6.944 8.886 ( 6.745 2.267 0.448) 7.130 8.894 ( 2.509 -2.726 -2.855) 4.678 8.948 ( 3.836 -3.491 -1.787) 5.485 9.035 ( 1.554 2.029 -1.186) 2.817 9.088 ( 0.991 -2.863 -1.663) 3.456 9.215 ( 1.146 4.032 1.042) 4.319 9.251 ( 0.672 -0.903 0.436) 1.207 9.317 ( 5.085 0.862 -0.766) 5.214 9.345 ( 4.734 -1.358 0.933) 5.013 9.386 ( -2.188 3.039 -0.666) 3.803 9.463 ( -0.386 -3.757 3.282) 5.003 9.517 ( -0.108 0.241 2.548) 2.562 9.529 ( -1.413 0.035 -1.211) 1.861 9.610 ( -1.795 -1.816 -0.860) 2.694 9.636 ( -2.638 -2.834 0.145) 3.874 9.782 ( 3.548 1.676 1.789) 4.313 9.840 ( 3.439 -3.056 2.839) 5.406 9.895 ( 0.532 0.562 -2.882) 2.984 9.960 ( 0.095 -5.066 -2.454) 5.630 10.106 ( 0.185 2.101 -0.649) 2.207 10.142 ( 0.949 -1.710 -0.835) 2.126 10.317 ( -6.982 1.248 -4.585) 8.445 10.336 ( -8.578 -0.620 -6.563) 10.819 10.563 ( 3.032 3.949 2.735) 5.681 10.630 ( 1.936 -3.214 2.452) 4.482 10.723 ( -2.037 2.187 1.557) 3.370 10.776 ( -1.689 -3.414 1.142) 3.976 11.114 ( 4.398 3.682 4.588) 7.345 11.126 ( 1.970 2.346 3.303) 4.505 11.341 ( 3.351 1.651 0.844) 3.829 11.411 ( 6.016 -5.832 0.335) 8.385 11.486 ( 4.930 1.482 -1.726) 5.429 11.496 ( 3.093 0.450 -1.944) 3.681 11.591 ( 1.679 5.586 0.212) 5.837 11.726 ( 1.563 -8.369 1.281) 8.609 11.807 ( -1.523 5.435 0.803) 5.702 11.901 ( -0.943 -4.488 1.834) 4.939 12.118 ( -6.593 2.065 -1.142) 7.003 12.174 ( -9.589 -3.599 -2.787) 10.615 13.119 ( -0.148 9.463 0.371) 9.471 13.280 ( -0.259 -7.673 0.348) 7.685 13.581 ( -4.187 11.060 0.099) 11.826 13.734 ( -2.179 -5.852 0.438) 6.259 15.229 ( 1.459 4.789 -1.061) 5.117 15.354 ( 0.664 -8.629 -1.869) 8.854 15.809 ( 2.066 1.936 0.015) 2.831 15.824 ( 2.136 0.405 -0.915) 2.359 16.251 ( -0.094 0.437 -1.114) 1.201 16.260 ( -1.127 -0.510 -1.478) 1.927 16.372 ( 0.932 3.430 1.709) 3.944 16.443 ( -1.379 -4.274 6.254) 7.700 16.983 ( 0.486 0.875 -0.929) 1.365 16.992 ( 0.032 0.038 0.625) 0.627 17.213 ( 1.171 6.724 1.037) 6.904 17.317 ( -0.465 1.787 -0.750) 1.993 17.362 ( 4.146 -6.088 -3.357) 8.094 17.401 ( -1.010 -5.949 1.690) 6.266 17.841 ( 0.511 2.560 0.482) 2.655 17.903 ( 0.865 -4.400 0.941) 4.582 18.319 ( 3.318 2.073 -2.232) 4.504 18.337 ( 3.138 0.119 -3.841) 4.961 18.401 ( 0.837 0.923 -0.272) 1.275 18.436 ( -0.001 -3.130 1.877) 3.650 18.697 ( 0.964 3.044 1.870) 3.700 18.739 ( 0.346 -1.394 1.561) 2.121 18.900 ( -8.957 4.422 -0.179) 9.991 18.960 ( -9.263 -2.300 -1.235) 9.624 19.425 ( -0.425 -0.172 -0.039) 0.460 19.428 ( -0.469 -0.463 -0.195) 0.688 19.498 ( 0.383 1.295 0.377) 1.402 19.514 ( 0.318 -0.159 0.526) 0.635 ======================= Grid point 17 (12/48) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 0.000 8.272 -0.000) 8.272 1.895 ( 0.000 -1.383 0.000) 1.383 2.101 ( 0.000 8.143 0.000) 8.143 2.141 ( 0.000 14.252 0.000) 14.252 2.240 ( 0.000 1.253 -0.000) 1.253 2.266 ( -0.000 7.610 0.000) 7.610 2.357 ( 0.000 -9.657 -0.000) 9.657 2.431 ( 0.000 6.087 -0.000) 6.087 2.539 ( 0.000 -4.378 -0.000) 4.378 2.582 ( 0.000 -5.854 -0.000) 5.854 2.680 ( 0.000 -5.234 0.000) 5.234 2.720 ( 0.000 -5.175 -0.000) 5.175 2.724 ( -0.000 -1.218 0.000) 1.218 2.741 ( 0.000 -4.797 0.000) 4.797 2.962 ( 0.000 1.928 0.000) 1.928 3.027 ( 0.000 -6.058 -0.000) 6.058 3.053 ( 0.000 3.097 -0.000) 3.097 3.072 ( 0.000 1.071 0.000) 1.071 3.170 ( 0.000 4.015 0.000) 4.015 3.274 ( 0.000 -6.141 -0.000) 6.141 3.398 ( 0.000 7.945 -0.000) 7.945 3.429 ( 0.000 1.031 0.000) 1.031 3.510 ( 0.000 5.092 0.000) 5.092 3.513 ( -0.000 6.783 -0.000) 6.783 3.517 ( -0.000 3.376 0.000) 3.376 3.567 ( 0.000 -0.337 0.000) 0.337 3.595 ( 0.000 1.158 -0.000) 1.158 3.622 ( 0.000 -0.964 -0.000) 0.964 3.672 ( 0.000 -6.022 -0.000) 6.022 3.677 ( -0.000 -6.977 0.000) 6.977 3.802 ( -0.000 -1.062 0.000) 1.062 3.805 ( 0.000 -0.255 -0.000) 0.255 3.862 ( 0.000 1.536 -0.000) 1.536 3.894 ( -0.000 -1.633 0.000) 1.633 3.930 ( 0.000 -4.146 -0.000) 4.146 3.942 ( -0.000 -5.662 0.000) 5.662 4.025 ( -0.000 2.602 0.000) 2.602 4.047 ( 0.000 -0.494 -0.000) 0.494 4.116 ( 0.000 -2.602 -0.000) 2.602 4.127 ( -0.000 -2.385 0.000) 2.385 4.208 ( 0.000 -0.464 -0.000) 0.464 4.251 ( 0.000 -6.223 0.000) 6.223 4.336 ( 0.000 1.606 -0.000) 1.606 4.374 ( 0.000 -3.493 0.000) 3.493 4.483 ( -0.000 2.107 -0.000) 2.107 4.487 ( 0.000 -0.299 -0.000) 0.299 4.513 ( 0.000 2.474 -0.000) 2.474 4.516 ( -0.000 -0.400 0.000) 0.400 4.652 ( 0.000 4.186 -0.000) 4.186 4.690 ( -0.000 2.716 0.000) 2.716 4.720 ( 0.000 0.187 0.000) 0.187 4.734 ( 0.000 -3.616 -0.000) 3.616 4.777 ( 0.000 -0.277 -0.000) 0.277 4.846 ( 0.000 -5.562 -0.000) 5.562 4.978 ( 0.000 6.432 0.000) 6.432 4.984 ( 0.000 1.265 -0.000) 1.265 5.108 ( 0.000 8.281 0.000) 8.281 5.144 ( 0.000 -3.559 -0.000) 3.559 5.194 ( 0.000 -4.049 0.000) 4.049 5.213 ( 0.000 -1.255 0.000) 1.255 5.234 ( 0.000 7.223 -0.000) 7.223 5.313 ( 0.000 0.352 0.000) 0.352 5.331 ( 0.000 3.870 -0.000) 3.870 5.370 ( 0.000 -1.828 0.000) 1.828 5.455 ( -0.000 -1.754 -0.000) 1.754 5.464 ( 0.000 -6.411 -0.000) 6.411 5.490 ( 0.000 0.053 0.000) 0.053 5.511 ( -0.000 0.698 0.000) 0.698 5.563 ( 0.000 3.873 -0.000) 3.873 5.619 ( 0.000 0.208 0.000) 0.208 5.725 ( 0.000 2.970 0.000) 2.970 5.742 ( 0.000 0.136 0.000) 0.136 5.847 ( 0.000 5.098 -0.000) 5.098 5.862 ( -0.000 0.932 0.000) 0.932 5.892 ( 0.000 0.993 -0.000) 0.993 5.903 ( 0.000 -1.658 0.000) 1.658 5.970 ( 0.000 -4.814 -0.000) 4.814 5.995 ( -0.000 -4.151 0.000) 4.151 6.026 ( 0.000 -2.561 -0.000) 2.561 6.056 ( 0.000 -2.147 0.000) 2.147 6.156 ( 0.000 2.174 -0.000) 2.174 6.163 ( -0.000 1.606 0.000) 1.606 6.197 ( -0.000 -0.178 0.000) 0.178 6.202 ( 0.000 0.237 -0.000) 0.237 6.361 ( 0.000 3.480 0.000) 3.480 6.395 ( -0.000 0.197 0.000) 0.197 6.488 ( 0.000 8.910 0.000) 8.910 6.505 ( 0.000 3.061 -0.000) 3.061 6.551 ( 0.000 -1.728 -0.000) 1.728 6.581 ( 0.000 -3.008 -0.000) 3.008 6.598 ( 0.000 -2.265 0.000) 2.265 6.647 ( -0.000 -4.542 0.000) 4.542 6.721 ( 0.000 2.099 0.000) 2.099 6.758 ( 0.000 -0.823 0.000) 0.823 6.833 ( -0.000 3.510 0.000) 3.510 6.853 ( 0.000 -4.944 0.000) 4.944 6.891 ( 0.000 6.129 0.000) 6.129 6.932 ( 0.000 0.813 -0.000) 0.813 6.939 ( -0.000 -2.034 0.000) 2.034 7.045 ( 0.000 -6.684 0.000) 6.684 7.095 ( 0.000 1.003 0.000) 1.003 7.140 ( 0.000 -3.266 -0.000) 3.266 7.226 ( 0.000 4.826 -0.000) 4.826 7.283 ( 0.000 -1.926 0.000) 1.926 7.357 ( 0.000 3.136 0.000) 3.136 7.391 ( 0.000 2.260 0.000) 2.260 7.429 ( 0.000 1.039 -0.000) 1.039 7.479 ( 0.000 -4.721 -0.000) 4.721 7.507 ( 0.000 0.295 0.000) 0.295 7.516 ( -0.000 0.308 0.000) 0.308 7.551 ( 0.000 -3.111 -0.000) 3.111 7.573 ( -0.000 -3.874 -0.000) 3.874 7.621 ( 0.000 2.079 0.000) 2.079 7.633 ( -0.000 0.853 -0.000) 0.853 7.650 ( 0.000 0.150 -0.000) 0.150 7.675 ( -0.000 -2.777 -0.000) 2.777 7.776 ( 0.000 1.334 -0.000) 1.334 7.789 ( -0.000 0.052 0.000) 0.052 7.914 ( 0.000 1.568 0.000) 1.568 7.924 ( 0.000 0.139 0.000) 0.139 8.037 ( 0.000 2.131 0.000) 2.131 8.050 ( 0.000 -0.610 0.000) 0.610 8.151 ( 0.000 1.513 0.000) 1.513 8.184 ( 0.000 -0.656 -0.000) 0.656 8.200 ( -0.000 7.179 -0.000) 7.179 8.344 ( 0.000 -1.012 -0.000) 1.012 8.357 ( 0.000 -8.189 0.000) 8.189 8.362 ( -0.000 -0.996 -0.000) 0.996 8.429 ( 0.000 3.781 0.000) 3.781 8.522 ( 0.000 -4.402 -0.000) 4.402 8.628 ( 0.000 2.040 0.000) 2.040 8.657 ( 0.000 -0.439 -0.000) 0.439 8.804 ( 0.000 7.584 -0.000) 7.584 8.910 ( -0.000 -3.104 0.000) 3.104 8.922 ( 0.000 4.588 -0.000) 4.588 9.015 ( 0.000 -5.089 0.000) 5.089 9.050 ( 0.000 1.019 0.000) 1.019 9.078 ( 0.000 -0.804 -0.000) 0.804 9.261 ( 0.000 8.330 0.000) 8.330 9.307 ( -0.000 -0.405 0.000) 0.405 9.322 ( 0.000 0.899 -0.000) 0.899 9.345 ( -0.000 -4.408 -0.000) 4.408 9.398 ( 0.000 -1.337 -0.000) 1.337 9.426 ( -0.000 -3.010 0.000) 3.010 9.512 ( 0.000 1.328 0.000) 1.328 9.549 ( 0.000 -2.316 -0.000) 2.316 9.608 ( 0.000 -1.750 -0.000) 1.750 9.638 ( 0.000 -4.692 0.000) 4.692 9.845 ( 0.000 2.771 0.000) 2.771 9.887 ( 0.000 2.027 0.000) 2.027 9.928 ( 0.000 -5.471 0.000) 5.471 9.949 ( 0.000 -4.700 0.000) 4.700 10.067 ( -0.000 2.721 0.000) 2.721 10.095 ( 0.000 -0.307 -0.000) 0.307 10.227 ( 0.000 0.306 0.000) 0.306 10.233 ( 0.000 -0.337 -0.000) 0.337 10.610 ( 0.000 3.251 0.000) 3.251 10.655 ( 0.000 -2.138 0.000) 2.138 10.718 ( 0.000 1.261 0.000) 1.261 10.751 ( 0.000 -1.817 0.000) 1.817 11.136 ( 0.000 5.599 0.000) 5.599 11.204 ( 0.000 -1.001 -0.000) 1.001 11.392 ( 0.000 9.340 0.000) 9.340 11.481 ( 0.000 0.983 -0.000) 0.983 11.510 ( -0.000 -0.767 -0.000) 0.767 11.521 ( 0.000 -4.413 0.000) 4.413 11.622 ( 0.000 3.036 -0.000) 3.036 11.736 ( 0.000 -8.975 -0.000) 8.975 11.799 ( 0.000 5.926 -0.000) 5.926 11.905 ( 0.000 -5.148 0.000) 5.148 12.043 ( 0.000 -1.349 -0.000) 1.349 12.049 ( -0.000 -2.015 0.000) 2.015 13.118 ( 0.000 9.396 0.000) 9.396 13.279 ( 0.000 -7.668 -0.000) 7.668 13.540 ( 0.000 12.051 -0.000) 12.051 13.713 ( 0.000 -6.845 0.000) 6.845 15.241 ( 0.000 4.140 0.000) 4.140 15.355 ( 0.000 -8.221 0.000) 8.221 15.828 ( 0.000 1.939 0.000) 1.939 15.842 ( 0.000 0.656 -0.000) 0.656 16.235 ( 0.000 0.258 -0.000) 0.258 16.242 ( 0.000 -0.498 0.000) 0.498 16.403 ( 0.000 2.154 -0.000) 2.154 16.443 ( -0.000 -1.938 0.000) 1.938 16.988 ( 0.000 0.506 -0.000) 0.506 16.996 ( 0.000 -0.298 -0.000) 0.298 17.224 ( 0.000 7.530 -0.000) 7.530 17.308 ( 0.000 2.170 -0.000) 2.170 17.388 ( 0.000 -3.851 -0.000) 3.851 17.403 ( -0.000 -8.459 0.000) 8.459 17.847 ( 0.000 2.397 0.000) 2.397 17.915 ( 0.000 -5.084 0.000) 5.084 18.345 ( 0.000 2.897 -0.000) 2.897 18.364 ( -0.000 0.747 0.000) 0.747 18.414 ( 0.000 -0.682 -0.000) 0.682 18.432 ( -0.000 -2.809 0.000) 2.809 18.718 ( 0.000 5.154 -0.000) 5.154 18.783 ( 0.000 -1.233 0.000) 1.233 18.815 ( 0.000 -0.122 0.000) 0.122 18.817 ( -0.000 -0.781 -0.000) 0.781 19.420 ( 0.000 -0.328 0.000) 0.328 19.422 ( 0.000 -0.489 -0.000) 0.489 19.503 ( 0.000 1.369 -0.000) 1.369 19.519 ( 0.000 -0.105 0.000) 0.105 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.610 ( 0.196 0.000 28.697) 28.698 0.645 ( 9.031 0.000 29.738) 31.079 1.174 ( -0.894 0.000 54.159) 54.166 1.860 ( -0.106 0.000 2.245) 2.247 1.863 ( 2.165 0.000 -6.288) 6.651 2.133 ( 2.077 0.000 8.377) 8.631 2.191 ( -2.328 0.000 14.189) 14.379 2.303 ( 0.862 0.000 -6.210) 6.270 2.366 ( -4.107 0.000 0.843) 4.193 2.584 ( 2.494 0.000 -5.250) 5.813 2.632 ( -2.006 0.000 1.299) 2.390 2.780 ( -1.262 0.000 5.891) 6.024 2.889 ( -3.707 0.000 3.364) 5.005 2.904 ( -5.900 0.000 -8.780) 10.578 2.976 ( -1.858 0.000 7.292) 7.525 3.080 ( -4.708 0.000 -6.233) 7.811 3.085 ( 2.101 0.000 -3.535) 4.112 3.147 ( -0.684 0.000 -3.457) 3.524 3.167 ( -1.602 0.000 1.982) 2.549 3.320 ( -1.177 0.000 4.014) 4.183 3.328 ( 3.403 0.000 -3.217) 4.683 3.416 ( 2.867 0.000 6.828) 7.405 3.484 ( -0.893 0.000 -0.177) 0.910 3.497 ( 2.285 0.000 -4.760) 5.280 3.508 ( -7.041 0.000 -3.306) 7.778 3.583 ( -0.748 0.000 -2.429) 2.541 3.602 ( -1.959 0.000 0.864) 2.141 3.630 ( 3.971 0.000 0.071) 3.972 3.727 ( -1.426 0.000 0.467) 1.501 3.734 ( 3.628 0.000 -0.401) 3.651 3.874 ( -3.412 0.000 0.628) 3.469 3.919 ( -0.865 0.000 -3.762) 3.860 3.922 ( 3.324 0.000 -3.986) 5.190 3.970 ( -0.014 0.000 7.667) 7.667 3.993 ( 0.708 0.000 -6.364) 6.403 4.098 ( 2.811 0.000 -4.711) 5.486 4.117 ( -3.982 0.000 -8.379) 9.277 4.143 ( -4.754 0.000 -7.512) 8.891 4.235 ( 3.237 0.000 -1.786) 3.697 4.254 ( -0.203 0.000 -3.056) 3.063 4.339 ( 1.822 0.000 -2.119) 2.795 4.364 ( -0.683 0.000 -1.585) 1.726 4.411 ( 2.878 0.000 0.023) 2.878 4.429 ( 1.594 0.000 4.875) 5.129 4.498 ( -2.490 0.000 -3.533) 4.323 4.509 ( 0.913 0.000 0.774) 1.197 4.532 ( -0.018 0.000 5.801) 5.801 4.587 ( 1.238 0.000 -0.847) 1.500 4.657 ( 3.842 0.000 0.556) 3.882 4.711 ( -2.724 0.000 -3.241) 4.234 4.724 ( 0.093 0.000 4.946) 4.947 4.825 ( -0.756 0.000 -1.244) 1.456 4.876 ( -0.880 0.000 -12.031) 12.063 4.914 ( -3.194 0.000 6.333) 7.093 4.944 ( -4.584 0.000 6.013) 7.561 4.992 ( -0.888 0.000 0.978) 1.321 5.056 ( 4.105 0.000 -6.679) 7.840 5.107 ( 7.483 0.000 13.308) 15.268 5.188 ( -4.914 0.000 -1.357) 5.098 5.209 ( 1.673 0.000 -0.158) 1.680 5.298 ( -2.846 0.000 -1.315) 3.135 5.386 ( -2.758 0.000 -4.213) 5.036 5.414 ( 1.814 0.000 -0.541) 1.893 5.473 ( 1.250 0.000 -1.375) 1.858 5.524 ( 0.376 0.000 -3.125) 3.147 5.553 ( 1.412 0.000 3.601) 3.868 5.577 ( -3.206 0.000 -0.811) 3.307 5.618 ( -0.885 0.000 -1.168) 1.465 5.619 ( 6.245 0.000 -1.871) 6.520 5.633 ( -1.942 0.000 -3.189) 3.734 5.679 ( 1.371 0.000 -4.578) 4.779 5.706 ( -3.415 0.000 -2.430) 4.192 5.814 ( 2.343 0.000 2.317) 3.295 5.847 ( 2.018 0.000 1.594) 2.572 5.885 ( 2.145 0.000 2.202) 3.074 5.903 ( -4.374 0.000 3.137) 5.382 5.970 ( -0.648 0.000 -0.785) 1.018 6.023 ( 6.092 0.000 -2.153) 6.461 6.064 ( 4.892 0.000 2.153) 5.345 6.105 ( -2.526 0.000 1.523) 2.949 6.152 ( -1.522 0.000 2.204) 2.678 6.194 ( -2.979 0.000 4.758) 5.613 6.294 ( -7.514 0.000 -5.587) 9.364 6.303 ( -0.016 0.000 1.185) 1.185 6.334 ( 5.614 0.000 2.111) 5.998 6.397 ( 2.676 0.000 -2.536) 3.686 6.474 ( 0.081 0.000 1.097) 1.100 6.498 ( -3.561 0.000 -1.814) 3.997 6.538 ( -3.215 0.000 -4.529) 5.554 6.615 ( 3.660 0.000 3.520) 5.078 6.676 ( -1.017 0.000 -0.926) 1.376 6.701 ( 4.399 0.000 6.586) 7.920 6.725 ( 3.768 0.000 0.617) 3.819 6.769 ( -0.047 0.000 -1.648) 1.649 6.775 ( 5.376 0.000 -5.294) 7.545 6.861 ( -3.233 0.000 -1.480) 3.556 6.892 ( -6.824 0.000 1.412) 6.969 6.929 ( 6.513 0.000 -8.681) 10.853 7.015 ( -2.422 0.000 -4.222) 4.868 7.069 ( -0.466 0.000 -1.710) 1.773 7.127 ( -6.794 0.000 -8.694) 11.034 7.181 ( -4.318 0.000 -0.649) 4.367 7.204 ( 2.729 0.000 0.741) 2.828 7.213 ( 9.044 0.000 2.393) 9.356 7.236 ( -2.704 0.000 0.011) 2.704 7.312 ( -2.298 0.000 -2.507) 3.401 7.374 ( -3.130 0.000 3.222) 4.492 7.380 ( 3.841 0.000 -2.119) 4.387 7.445 ( -5.030 0.000 -1.598) 5.278 7.504 ( 0.512 0.000 -0.653) 0.830 7.520 ( 2.125 0.000 -2.279) 3.116 7.537 ( 0.185 0.000 -0.340) 0.387 7.603 ( 2.794 0.000 4.287) 5.117 7.624 ( 2.497 0.000 -0.226) 2.507 7.745 ( -7.272 0.000 -0.101) 7.273 7.749 ( -4.392 0.000 0.466) 4.416 7.833 ( -6.597 0.000 4.163) 7.800 7.950 ( 6.924 0.000 1.129) 7.016 7.955 ( 2.196 0.000 3.119) 3.815 8.049 ( 0.837 0.000 5.851) 5.911 8.078 ( -2.957 0.000 5.753) 6.468 8.149 ( 0.595 0.000 0.081) 0.601 8.156 ( -6.883 0.000 0.505) 6.901 8.201 ( -7.254 0.000 7.254) 10.259 8.255 ( -8.271 0.000 2.410) 8.615 8.270 ( 3.983 0.000 -2.064) 4.486 8.320 ( -1.117 0.000 4.689) 4.820 8.408 ( 4.371 0.000 1.352) 4.575 8.451 ( 3.216 0.000 -2.168) 3.878 8.526 ( -10.572 0.000 -1.698) 10.707 8.528 ( 5.847 0.000 1.586) 6.058 8.639 ( -1.545 0.000 -1.433) 2.107 8.696 ( 1.747 0.000 -1.112) 2.071 8.727 ( -0.770 0.000 -1.596) 1.772 8.781 ( -0.740 0.000 -0.800) 1.090 8.860 ( -15.095 0.000 -3.014) 15.393 8.916 ( -2.478 0.000 1.706) 3.008 9.106 ( -1.053 0.000 0.485) 1.160 9.138 ( -0.508 0.000 -1.062) 1.177 9.181 ( -2.021 0.000 -1.371) 2.442 9.201 ( 0.456 0.000 -2.912) 2.948 9.286 ( -2.927 0.000 -2.095) 3.599 9.356 ( -1.545 0.000 6.238) 6.427 9.460 ( 1.497 0.000 -0.680) 1.644 9.506 ( -0.063 0.000 3.738) 3.739 9.626 ( 0.200 0.000 -1.564) 1.576 9.676 ( -1.344 0.000 -5.107) 5.281 9.723 ( -0.789 0.000 5.076) 5.137 9.829 ( 2.310 0.000 2.156) 3.160 9.899 ( -2.671 0.000 -3.924) 4.747 9.963 ( -4.753 0.000 2.318) 5.288 10.014 ( 3.368 0.000 -3.823) 5.095 10.046 ( -1.921 0.000 1.656) 2.536 10.075 ( 0.558 0.000 -3.188) 3.237 10.310 ( 3.957 0.000 11.194) 11.872 10.431 ( 4.224 0.000 -10.079) 10.928 10.544 ( -0.439 0.000 -7.601) 7.614 10.788 ( -1.726 0.000 3.897) 4.262 10.798 ( -5.089 0.000 -7.122) 8.753 10.988 ( 3.508 0.000 4.758) 5.911 11.027 ( 6.016 0.000 3.789) 7.110 11.071 ( 1.611 0.000 2.676) 3.124 11.285 ( -4.853 0.000 0.245) 4.860 11.353 ( -2.315 0.000 6.237) 6.653 11.412 ( -1.400 0.000 3.505) 3.774 11.414 ( 7.432 0.000 -3.859) 8.374 11.545 ( 14.431 0.000 0.610) 14.444 11.625 ( 22.590 0.000 -0.237) 22.592 11.714 ( -0.728 0.000 -0.583) 0.933 11.861 ( 1.363 0.000 -3.071) 3.360 12.054 ( 1.495 0.000 6.552) 6.720 12.508 ( -2.550 0.000 -4.083) 4.814 12.917 ( -0.729 0.000 3.082) 3.167 13.169 ( 0.866 0.000 -2.563) 2.705 13.482 ( -1.662 0.000 2.824) 3.276 13.800 ( 1.430 0.000 -3.943) 4.195 15.057 ( 3.785 0.000 1.064) 3.931 15.129 ( -1.139 0.000 -0.385) 1.203 15.617 ( 0.746 0.000 -0.206) 0.774 15.672 ( 1.413 0.000 -2.040) 2.481 16.169 ( 0.530 0.000 1.003) 1.135 16.282 ( -0.939 0.000 -1.720) 1.959 16.453 ( -2.801 0.000 3.954) 4.845 16.741 ( 13.162 0.000 -4.272) 13.838 16.910 ( -3.073 0.000 2.149) 3.750 16.946 ( 9.516 0.000 3.059) 9.996 17.145 ( 1.988 0.000 2.381) 3.101 17.354 ( -2.493 0.000 -1.482) 2.901 17.525 ( -0.131 0.000 -0.977) 0.986 17.571 ( -10.346 0.000 -5.334) 11.640 17.852 ( -5.652 0.000 6.548) 8.650 18.133 ( 1.357 0.000 -2.114) 2.512 18.150 ( 1.351 0.000 -0.393) 1.406 18.231 ( -6.051 0.000 -5.048) 7.880 18.367 ( -0.795 0.000 2.265) 2.401 18.569 ( 0.746 0.000 -1.896) 2.037 18.578 ( -0.434 0.000 9.233) 9.243 18.870 ( -0.604 0.000 1.841) 1.937 19.083 ( 0.944 0.000 -2.793) 2.948 19.166 ( -0.130 0.000 -6.698) 6.699 19.416 ( 0.678 0.000 -0.575) 0.889 19.439 ( -3.835 0.000 -1.329) 4.059 19.458 ( 0.653 0.000 1.421) 1.563 19.498 ( -1.356 0.000 0.529) 1.455 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.961 ( 16.421 0.000 21.870) 27.348 1.143 ( 17.585 0.000 25.845) 31.260 1.777 ( 23.185 0.000 25.366) 34.365 1.881 ( 7.473 0.000 10.579) 12.952 1.960 ( 11.192 0.000 -7.018) 13.211 2.189 ( 0.916 0.000 6.026) 6.095 2.268 ( 5.446 0.000 -3.687) 6.577 2.326 ( -0.830 0.000 -1.132) 1.404 2.408 ( 0.785 0.000 12.812) 12.836 2.563 ( -3.115 0.000 2.550) 4.026 2.615 ( 2.115 0.000 -7.470) 7.763 2.748 ( -4.790 0.000 -6.432) 8.020 2.833 ( -1.710 0.000 -2.445) 2.984 2.865 ( 7.408 0.000 13.436) 15.343 2.931 ( -4.864 0.000 -3.221) 5.834 2.979 ( -4.978 0.000 -1.003) 5.078 3.115 ( -0.411 0.000 -0.278) 0.496 3.127 ( -1.336 0.000 4.873) 5.053 3.127 ( 2.102 0.000 -1.563) 2.620 3.257 ( -7.707 0.000 -3.070) 8.296 3.323 ( 0.089 0.000 -0.039) 0.097 3.413 ( 1.143 0.000 -1.474) 1.865 3.440 ( -0.770 0.000 0.779) 1.095 3.479 ( -4.427 0.000 3.486) 5.635 3.517 ( -0.343 0.000 7.976) 7.983 3.592 ( 0.578 0.000 -0.216) 0.617 3.605 ( 5.433 0.000 -1.615) 5.667 3.698 ( 2.241 0.000 -3.652) 4.285 3.701 ( 1.420 0.000 -1.297) 1.923 3.779 ( 1.102 0.000 -1.796) 2.107 3.792 ( -7.405 0.000 -11.955) 14.062 3.816 ( -1.879 0.000 -15.230) 15.346 3.918 ( 1.630 0.000 1.195) 2.021 3.957 ( 2.464 0.000 -4.074) 4.761 4.020 ( 1.933 0.000 0.012) 1.933 4.064 ( -2.516 0.000 9.533) 9.860 4.116 ( 0.560 0.000 -3.027) 3.078 4.126 ( 2.049 0.000 -2.556) 3.276 4.218 ( -2.131 0.000 -1.318) 2.506 4.239 ( 0.138 0.000 -1.414) 1.421 4.278 ( -3.801 0.000 4.556) 5.933 4.303 ( -4.010 0.000 -4.468) 6.004 4.363 ( -4.422 0.000 -3.742) 5.793 4.453 ( -0.980 0.000 4.201) 4.314 4.486 ( 1.137 0.000 -2.314) 2.578 4.538 ( 1.070 0.000 5.472) 5.576 4.638 ( 4.856 0.000 0.484) 4.880 4.639 ( -0.116 0.000 3.875) 3.876 4.648 ( -1.504 0.000 -4.450) 4.697 4.676 ( -5.531 0.000 5.239) 7.618 4.726 ( 3.569 0.000 -1.333) 3.810 4.802 ( -2.750 0.000 -2.036) 3.422 4.848 ( -1.733 0.000 0.212) 1.746 4.857 ( 4.040 0.000 -5.305) 6.668 4.943 ( -0.249 0.000 0.251) 0.353 4.978 ( -0.273 0.000 3.601) 3.612 5.029 ( -3.326 0.000 1.514) 3.654 5.142 ( -5.025 0.000 -0.826) 5.092 5.166 ( -3.272 0.000 -4.673) 5.705 5.258 ( -0.563 0.000 -2.211) 2.282 5.297 ( 1.215 0.000 -4.008) 4.188 5.326 ( 3.023 0.000 8.584) 9.101 5.428 ( -4.726 0.000 -4.007) 6.196 5.462 ( -2.439 0.000 6.421) 6.869 5.477 ( -2.984 0.000 -3.134) 4.327 5.510 ( 1.080 0.000 -4.116) 4.255 5.545 ( -3.847 0.000 3.163) 4.981 5.580 ( -3.870 0.000 -0.841) 3.960 5.604 ( -0.510 0.000 4.531) 4.560 5.644 ( 1.964 0.000 -3.171) 3.730 5.667 ( 0.967 0.000 -6.590) 6.660 5.703 ( 1.651 0.000 -2.865) 3.307 5.740 ( -8.485 0.000 0.461) 8.497 5.828 ( -12.351 0.000 -1.560) 12.449 5.866 ( 0.104 0.000 2.513) 2.516 5.921 ( 4.653 0.000 3.951) 6.105 5.953 ( 0.484 0.000 -1.640) 1.710 5.990 ( -0.560 0.000 -2.075) 2.149 6.019 ( -2.847 0.000 2.038) 3.501 6.122 ( 2.468 0.000 4.251) 4.915 6.206 ( 1.563 0.000 -3.118) 3.488 6.246 ( 5.554 0.000 1.913) 5.875 6.266 ( -7.473 0.000 0.736) 7.509 6.299 ( 2.555 0.000 0.491) 2.602 6.326 ( 2.099 0.000 2.807) 3.505 6.400 ( -1.671 0.000 -0.200) 1.683 6.460 ( -1.946 0.000 0.604) 2.037 6.464 ( -1.374 0.000 -1.479) 2.019 6.525 ( 1.032 0.000 -2.390) 2.603 6.574 ( -5.343 0.000 -1.957) 5.691 6.630 ( -8.688 0.000 -0.747) 8.720 6.729 ( -3.293 0.000 -1.069) 3.462 6.734 ( 3.574 0.000 3.691) 5.138 6.775 ( 1.719 0.000 -0.809) 1.900 6.803 ( 2.032 0.000 -1.514) 2.534 6.858 ( 4.444 0.000 -3.687) 5.774 6.889 ( 0.413 0.000 -0.492) 0.642 6.958 ( 0.921 0.000 -0.385) 0.998 6.994 ( -1.085 0.000 -0.493) 1.192 7.030 ( 7.847 0.000 -4.050) 8.830 7.043 ( 3.945 0.000 -3.898) 5.546 7.095 ( -7.223 0.000 -2.083) 7.518 7.170 ( 0.371 0.000 -6.162) 6.174 7.183 ( -3.864 0.000 0.265) 3.873 7.266 ( -6.984 0.000 3.583) 7.849 7.361 ( 4.476 0.000 -2.241) 5.006 7.366 ( -0.756 0.000 -0.043) 0.758 7.375 ( 2.768 0.000 -3.584) 4.528 7.431 ( -1.976 0.000 0.666) 2.085 7.457 ( -1.320 0.000 -5.759) 5.909 7.516 ( -4.137 0.000 -3.054) 5.142 7.547 ( 4.157 0.000 3.003) 5.128 7.554 ( 1.363 0.000 1.983) 2.406 7.652 ( 0.056 0.000 5.841) 5.841 7.749 ( -4.204 0.000 2.401) 4.841 7.752 ( 4.680 0.000 9.396) 10.497 7.814 ( 1.342 0.000 1.453) 1.978 7.904 ( -6.777 0.000 4.913) 8.371 8.000 ( -4.093 0.000 0.525) 4.126 8.010 ( 1.113 0.000 3.034) 3.232 8.045 ( -3.309 0.000 4.982) 5.980 8.126 ( -4.889 0.000 1.527) 5.122 8.145 ( 1.049 0.000 6.269) 6.356 8.186 ( 2.839 0.000 2.020) 3.484 8.223 ( 3.692 0.000 0.287) 3.703 8.285 ( 0.979 0.000 4.405) 4.512 8.309 ( -1.792 0.000 3.815) 4.215 8.482 ( -0.106 0.000 -2.956) 2.958 8.548 ( 5.097 0.000 1.411) 5.289 8.551 ( 4.816 0.000 1.911) 5.181 8.633 ( 0.113 0.000 -0.869) 0.877 8.705 ( -1.107 0.000 -6.050) 6.150 8.732 ( 2.983 0.000 1.553) 3.363 8.750 ( 3.133 0.000 0.871) 3.252 8.769 ( 4.385 0.000 0.626) 4.430 8.828 ( 9.819 0.000 -1.714) 9.967 8.969 ( 2.894 0.000 1.124) 3.105 9.080 ( -5.427 0.000 -1.338) 5.590 9.100 ( -0.768 0.000 -1.527) 1.710 9.155 ( 3.729 0.000 2.897) 4.723 9.174 ( 1.413 0.000 -4.161) 4.395 9.323 ( 8.965 0.000 -0.314) 8.970 9.361 ( -0.833 0.000 4.163) 4.245 9.497 ( 1.340 0.000 -1.731) 2.189 9.539 ( -0.200 0.000 6.981) 6.984 9.584 ( -4.170 0.000 -3.301) 5.318 9.599 ( -0.687 0.000 -4.686) 4.736 9.778 ( 0.502 0.000 2.327) 2.380 9.813 ( -2.833 0.000 -4.518) 5.333 9.914 ( -3.893 0.000 3.561) 5.276 9.936 ( 5.937 0.000 2.339) 6.381 9.998 ( -1.448 0.000 1.881) 2.374 10.048 ( -0.977 0.000 -4.252) 4.363 10.087 ( 5.164 0.000 -2.934) 5.939 10.359 ( -4.570 0.000 -9.178) 10.252 10.433 ( -6.205 0.000 -8.400) 10.444 10.466 ( 5.373 0.000 9.584) 10.987 10.680 ( -2.135 0.000 -3.674) 4.249 10.766 ( -2.655 0.000 2.983) 3.993 11.010 ( -8.872 0.000 1.156) 8.947 11.031 ( 1.004 0.000 6.391) 6.470 11.131 ( -0.950 0.000 -1.526) 1.798 11.245 ( 5.229 0.000 2.860) 5.960 11.381 ( 4.054 0.000 3.150) 5.134 11.401 ( -4.411 0.000 -1.702) 4.728 11.488 ( 3.100 0.000 3.101) 4.384 11.514 ( 1.010 0.000 -0.509) 1.131 11.683 ( -1.802 0.000 -0.428) 1.853 11.873 ( 2.685 0.000 -4.385) 5.142 12.098 ( -1.742 0.000 7.388) 7.591 12.113 ( 12.255 0.000 -11.161) 16.575 12.369 ( -7.902 0.000 -5.534) 9.647 12.924 ( -0.426 0.000 2.629) 2.663 13.162 ( -0.032 0.000 -2.528) 2.528 13.469 ( -1.502 0.000 3.053) 3.402 13.795 ( 0.717 0.000 -3.941) 4.006 15.130 ( 1.524 0.000 -0.641) 1.654 15.292 ( 15.285 0.000 -9.351) 17.918 15.659 ( 3.279 0.000 -0.640) 3.341 15.682 ( 0.934 0.000 -1.819) 2.045 16.200 ( 1.966 0.000 1.386) 2.406 16.247 ( -1.263 0.000 -2.029) 2.390 16.390 ( -5.037 0.000 2.805) 5.765 16.790 ( -1.008 0.000 -5.494) 5.586 16.891 ( 0.340 0.000 -0.045) 0.343 17.184 ( -3.183 0.000 1.066) 3.357 17.197 ( 0.736 0.000 4.645) 4.703 17.284 ( 5.160 0.000 -2.246) 5.628 17.349 ( -4.404 0.000 4.274) 6.137 17.504 ( -1.057 0.000 -1.075) 1.508 17.851 ( -0.562 0.000 6.625) 6.649 18.109 ( -3.436 0.000 -3.792) 5.117 18.157 ( 2.310 0.000 -1.838) 2.952 18.219 ( 5.178 0.000 0.542) 5.207 18.372 ( -0.194 0.000 2.649) 2.656 18.587 ( 2.218 0.000 -2.113) 3.063 18.620 ( -1.090 0.000 8.258) 8.330 18.825 ( -4.745 0.000 1.313) 4.924 18.906 ( -10.559 0.000 4.542) 11.494 19.074 ( -4.589 0.000 -6.166) 7.686 19.420 ( 1.172 0.000 -1.300) 1.750 19.428 ( 0.682 0.000 -0.254) 0.728 19.476 ( 0.124 0.000 1.130) 1.136 19.487 ( -0.470 0.000 -0.058) 0.474 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.438 ( 19.615 0.000 15.738) 25.149 1.601 ( 13.618 0.000 19.117) 23.471 1.828 ( -2.993 0.000 -0.303) 3.008 2.146 ( 6.495 0.000 -4.561) 7.936 2.177 ( -2.968 0.000 0.321) 2.986 2.209 ( -8.461 0.000 -0.266) 8.465 2.375 ( 6.381 0.000 -9.876) 11.758 2.481 ( 13.013 0.000 8.753) 15.683 2.483 ( 2.158 0.000 16.942) 17.078 2.493 ( -3.553 0.000 -6.530) 7.434 2.665 ( 7.798 0.000 -5.484) 9.534 2.718 ( 6.093 0.000 9.942) 11.661 2.787 ( -6.172 0.000 -2.305) 6.589 2.853 ( 4.295 0.000 -1.055) 4.422 2.949 ( 6.234 0.000 -0.628) 6.265 3.056 ( -4.467 0.000 3.688) 5.792 3.076 ( 0.373 0.000 7.764) 7.773 3.082 ( -5.870 0.000 2.821) 6.512 3.224 ( 7.891 0.000 0.949) 7.948 3.241 ( 4.824 0.000 0.992) 4.925 3.362 ( -0.283 0.000 6.256) 6.262 3.386 ( -3.315 0.000 1.249) 3.543 3.439 ( 2.200 0.000 -2.681) 3.468 3.449 ( -2.601 0.000 5.804) 6.360 3.517 ( -2.870 0.000 -0.337) 2.890 3.584 ( 0.570 0.000 -6.718) 6.742 3.618 ( -3.639 0.000 -6.439) 7.396 3.631 ( 2.764 0.000 -0.404) 2.793 3.706 ( 5.358 0.000 -6.422) 8.364 3.713 ( -5.278 0.000 -0.777) 5.334 3.775 ( 4.017 0.000 -1.511) 4.292 3.784 ( 0.949 0.000 -4.070) 4.179 3.918 ( -1.337 0.000 -0.802) 1.559 3.981 ( -2.649 0.000 -3.335) 4.259 3.994 ( -1.035 0.000 -1.329) 1.684 4.090 ( 2.255 0.000 6.122) 6.524 4.117 ( 0.569 0.000 1.346) 1.461 4.142 ( -5.718 0.000 -3.297) 6.601 4.182 ( 0.854 0.000 4.470) 4.551 4.208 ( 5.316 0.000 -7.472) 9.170 4.272 ( -0.010 0.000 -4.472) 4.472 4.295 ( 2.629 0.000 2.537) 3.653 4.322 ( 3.696 0.000 2.992) 4.755 4.470 ( -2.166 0.000 5.589) 5.994 4.493 ( -4.409 0.000 -1.749) 4.743 4.521 ( -10.571 0.000 -1.808) 10.724 4.555 ( -7.716 0.000 2.727) 8.184 4.573 ( -6.082 0.000 4.363) 7.485 4.605 ( 0.599 0.000 -4.644) 4.683 4.648 ( -1.548 0.000 7.511) 7.668 4.758 ( 6.264 0.000 2.877) 6.893 4.779 ( 1.814 0.000 -1.232) 2.193 4.829 ( -9.487 0.000 -3.727) 10.192 4.847 ( -0.245 0.000 0.297) 0.385 4.935 ( -5.328 0.000 0.386) 5.341 4.955 ( 3.486 0.000 -3.913) 5.241 5.033 ( 0.156 0.000 2.511) 2.515 5.073 ( 0.691 0.000 4.316) 4.371 5.074 ( -3.021 0.000 2.868) 4.166 5.209 ( -3.120 0.000 -2.062) 3.740 5.266 ( -4.215 0.000 -4.517) 6.178 5.298 ( -3.806 0.000 -0.122) 3.808 5.362 ( 1.952 0.000 -1.387) 2.394 5.400 ( -4.325 0.000 -4.100) 5.960 5.430 ( 0.042 0.000 -0.813) 0.814 5.483 ( 1.626 0.000 1.763) 2.398 5.522 ( -7.189 0.000 5.630) 9.131 5.528 ( -0.550 0.000 -6.137) 6.162 5.582 ( -2.127 0.000 0.467) 2.178 5.646 ( 0.853 0.000 -1.506) 1.731 5.650 ( 1.251 0.000 -0.815) 1.493 5.675 ( 0.626 0.000 -0.441) 0.765 5.734 ( 3.540 0.000 -0.318) 3.554 5.739 ( 3.089 0.000 -3.341) 4.550 5.907 ( 1.479 0.000 1.512) 2.115 5.943 ( 0.217 0.000 0.409) 0.463 5.974 ( 1.043 0.000 -2.818) 3.005 6.022 ( -0.222 0.000 -2.108) 2.120 6.035 ( 3.190 0.000 2.699) 4.179 6.125 ( -7.891 0.000 0.220) 7.894 6.130 ( -3.583 0.000 0.785) 3.668 6.193 ( -2.592 0.000 1.149) 2.836 6.233 ( -3.400 0.000 -4.566) 5.693 6.254 ( -5.677 0.000 -1.343) 5.834 6.294 ( 0.549 0.000 -8.813) 8.830 6.415 ( -3.218 0.000 4.178) 5.273 6.423 ( -2.055 0.000 3.616) 4.159 6.459 ( 3.531 0.000 2.634) 4.405 6.508 ( 2.201 0.000 -8.999) 9.264 6.539 ( 1.666 0.000 1.702) 2.382 6.557 ( 1.373 0.000 -3.889) 4.124 6.665 ( -9.456 0.000 -0.863) 9.495 6.704 ( -0.318 0.000 -1.142) 1.185 6.746 ( -2.624 0.000 -0.839) 2.755 6.840 ( 0.843 0.000 4.626) 4.702 6.882 ( 1.512 0.000 -4.069) 4.340 6.909 ( -2.455 0.000 -1.043) 2.668 6.938 ( -4.818 0.000 -3.910) 6.204 7.072 ( 9.332 0.000 -1.507) 9.453 7.073 ( 7.732 0.000 -0.325) 7.739 7.095 ( -1.748 0.000 1.856) 2.549 7.107 ( -1.557 0.000 -9.415) 9.543 7.118 ( 7.914 0.000 -0.239) 7.918 7.205 ( -3.214 0.000 0.517) 3.256 7.217 ( 8.753 0.000 -7.143) 11.297 7.317 ( 3.219 0.000 -3.172) 4.520 7.359 ( 0.417 0.000 -3.964) 3.986 7.383 ( -5.552 0.000 -3.653) 6.646 7.426 ( 1.446 0.000 -2.318) 2.732 7.452 ( 4.887 0.000 0.886) 4.966 7.512 ( 4.045 0.000 1.351) 4.264 7.554 ( -6.144 0.000 -3.398) 7.021 7.648 ( 3.100 0.000 5.102) 5.970 7.683 ( -0.948 0.000 4.415) 4.516 7.703 ( -1.346 0.000 7.083) 7.210 7.831 ( 5.372 0.000 3.261) 6.284 7.851 ( -3.609 0.000 5.602) 6.664 7.939 ( -1.096 0.000 0.222) 1.118 7.940 ( 0.356 0.000 2.940) 2.962 7.974 ( -7.830 0.000 5.181) 9.389 8.003 ( -6.544 0.000 7.688) 10.096 8.075 ( 2.060 0.000 1.602) 2.609 8.125 ( -4.131 0.000 0.124) 4.132 8.249 ( 3.005 0.000 0.673) 3.079 8.279 ( 2.423 0.000 4.350) 4.979 8.358 ( 4.273 0.000 3.156) 5.312 8.376 ( 2.418 0.000 2.132) 3.224 8.440 ( -0.120 0.000 -2.665) 2.668 8.528 ( -5.944 0.000 1.383) 6.103 8.585 ( -6.379 0.000 -2.016) 6.690 8.623 ( -0.955 0.000 2.883) 3.037 8.655 ( -5.654 0.000 -2.189) 6.063 8.755 ( 6.724 0.000 10.124) 12.154 8.820 ( 0.408 0.000 2.215) 2.252 8.828 ( 4.351 0.000 -1.519) 4.609 8.961 ( -2.073 0.000 1.094) 2.344 9.026 ( 8.387 0.000 1.704) 8.558 9.051 ( 1.540 0.000 0.443) 1.602 9.089 ( -0.495 0.000 -6.521) 6.539 9.250 ( 3.001 0.000 2.275) 3.766 9.313 ( 11.272 0.000 -1.387) 11.357 9.387 ( 0.669 0.000 3.785) 3.843 9.465 ( -1.762 0.000 -2.569) 3.115 9.490 ( -0.600 0.000 -1.495) 1.611 9.571 ( 13.756 0.000 -0.138) 13.757 9.585 ( 0.882 0.000 6.348) 6.409 9.649 ( 0.845 0.000 -1.990) 2.162 9.711 ( -8.026 0.000 1.034) 8.092 9.759 ( 5.205 0.000 -0.799) 5.266 9.879 ( 0.076 0.000 0.121) 0.142 9.973 ( -3.572 0.000 -5.237) 6.340 10.005 ( 3.641 0.000 -0.263) 3.650 10.085 ( -6.383 0.000 -7.836) 10.107 10.090 ( 3.997 0.000 5.148) 6.517 10.235 ( 1.164 0.000 -1.423) 1.839 10.274 ( -4.986 0.000 -5.483) 7.411 10.585 ( -0.506 0.000 8.419) 8.434 10.653 ( 1.205 0.000 -3.716) 3.906 10.728 ( -1.579 0.000 -0.143) 1.586 10.852 ( -7.155 0.000 -1.195) 7.254 11.050 ( -4.184 0.000 0.204) 4.189 11.112 ( 3.361 0.000 3.009) 4.511 11.260 ( -7.849 0.000 1.225) 7.944 11.402 ( 6.219 0.000 1.381) 6.370 11.455 ( 2.606 0.000 -1.056) 2.812 11.558 ( 1.879 0.000 1.541) 2.430 11.601 ( 6.193 0.000 0.656) 6.228 11.663 ( -0.065 0.000 2.987) 2.988 11.884 ( 1.398 0.000 -6.325) 6.477 12.074 ( -4.856 0.000 5.662) 7.460 12.149 ( -2.217 0.000 -3.974) 4.551 12.191 ( -3.670 0.000 -6.770) 7.701 12.927 ( -0.911 0.000 2.428) 2.593 13.142 ( -0.154 0.000 -2.470) 2.475 13.458 ( -1.499 0.000 2.617) 3.016 13.781 ( 0.496 0.000 -4.227) 4.256 15.171 ( 2.430 0.000 0.554) 2.492 15.475 ( 10.034 0.000 -8.567) 13.194 15.688 ( 0.577 0.000 -1.400) 1.515 15.712 ( 2.631 0.000 -2.191) 3.424 16.216 ( -0.456 0.000 -1.401) 1.473 16.256 ( 3.003 0.000 0.429) 3.033 16.322 ( -3.271 0.000 2.593) 4.174 16.664 ( -8.823 0.000 -2.669) 9.218 16.913 ( 2.155 0.000 -1.366) 2.551 17.047 ( -5.330 0.000 1.078) 5.437 17.217 ( -2.219 0.000 6.181) 6.567 17.300 ( -1.596 0.000 4.749) 5.010 17.486 ( 0.093 0.000 -1.135) 1.139 17.502 ( 9.934 0.000 -0.924) 9.977 17.867 ( -1.900 0.000 4.763) 5.128 18.060 ( 0.653 0.000 -2.618) 2.698 18.185 ( 1.637 0.000 -2.480) 2.971 18.344 ( 6.684 0.000 1.532) 6.857 18.392 ( 0.267 0.000 3.569) 3.579 18.602 ( -0.993 0.000 -2.549) 2.735 18.627 ( -2.766 0.000 5.319) 5.995 18.748 ( -0.997 0.000 -0.295) 1.040 18.779 ( -5.644 0.000 2.068) 6.011 18.932 ( -6.301 0.000 -4.541) 7.766 19.435 ( 0.240 0.000 -0.247) 0.345 19.437 ( 1.278 0.000 -1.160) 1.726 19.476 ( -0.437 0.000 -0.395) 0.589 19.477 ( -0.455 0.000 0.626) 0.774 ======================= Grid point 38 (16/48) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.566 ( -18.022 0.000 4.158) 18.495 1.655 ( -17.548 0.000 4.072) 18.014 1.933 ( 3.011 0.000 5.120) 5.940 2.052 ( 11.271 0.000 9.792) 14.931 2.141 ( -2.239 0.000 8.251) 8.549 2.340 ( 3.250 0.000 5.477) 6.368 2.381 ( -0.530 0.000 -10.861) 10.874 2.417 ( 2.892 0.000 0.446) 2.926 2.566 ( 1.059 0.000 3.312) 3.477 2.655 ( -0.225 0.000 -7.687) 7.690 2.679 ( 4.321 0.000 3.367) 5.478 2.818 ( -3.321 0.000 -6.014) 6.870 2.822 ( 7.756 0.000 -8.140) 11.243 2.885 ( -8.849 0.000 6.601) 11.040 2.917 ( 0.673 0.000 5.322) 5.364 3.044 ( -0.933 0.000 6.725) 6.790 3.076 ( -10.715 0.000 10.147) 14.757 3.176 ( 14.970 0.000 -3.354) 15.341 3.250 ( -4.311 0.000 -0.512) 4.341 3.319 ( -0.538 0.000 4.356) 4.389 3.340 ( -3.583 0.000 5.853) 6.862 3.405 ( 5.875 0.000 -3.237) 6.708 3.416 ( -2.961 0.000 -7.765) 8.310 3.470 ( -3.367 0.000 4.803) 5.866 3.476 ( -0.595 0.000 -0.075) 0.600 3.508 ( -1.526 0.000 0.358) 1.568 3.609 ( 1.833 0.000 -6.354) 6.613 3.630 ( -3.011 0.000 -3.855) 4.891 3.676 ( -7.401 0.000 -1.615) 7.575 3.741 ( -0.044 0.000 -5.383) 5.383 3.746 ( 3.288 0.000 -0.804) 3.385 3.816 ( 5.465 0.000 -2.396) 5.967 3.908 ( 0.877 0.000 -0.235) 0.908 3.978 ( 1.891 0.000 0.661) 2.004 3.979 ( -0.393 0.000 3.511) 3.533 3.984 ( -2.772 0.000 0.151) 2.776 4.100 ( -2.188 0.000 2.976) 3.693 4.146 ( 0.564 0.000 -5.610) 5.638 4.223 ( 3.747 0.000 4.761) 6.059 4.254 ( -2.162 0.000 2.941) 3.651 4.269 ( -0.779 0.000 -3.456) 3.542 4.306 ( -4.484 0.000 8.802) 9.878 4.309 ( 3.223 0.000 2.893) 4.331 4.409 ( 3.216 0.000 1.906) 3.738 4.457 ( 2.291 0.000 -0.633) 2.376 4.463 ( -9.002 0.000 -0.991) 9.057 4.471 ( -4.240 0.000 -4.212) 5.977 4.566 ( 3.973 0.000 0.360) 3.990 4.655 ( 6.476 0.000 -0.377) 6.487 4.689 ( -1.001 0.000 6.019) 6.102 4.780 ( 10.823 0.000 0.508) 10.834 4.796 ( 1.181 0.000 -0.375) 1.239 4.822 ( -3.985 0.000 4.413) 5.946 4.850 ( 1.673 0.000 1.031) 1.966 4.864 ( -6.909 0.000 1.107) 6.997 4.965 ( 7.976 0.000 2.870) 8.477 5.014 ( -2.154 0.000 2.546) 3.335 5.101 ( 2.461 0.000 -1.706) 2.995 5.120 ( 1.640 0.000 1.345) 2.121 5.195 ( 3.465 0.000 -4.616) 5.772 5.202 ( -0.245 0.000 0.407) 0.475 5.292 ( 0.878 0.000 1.680) 1.896 5.326 ( -0.330 0.000 -1.827) 1.856 5.377 ( -5.771 0.000 -3.712) 6.862 5.393 ( 1.626 0.000 -2.589) 3.057 5.437 ( -1.678 0.000 2.889) 3.341 5.515 ( 3.366 0.000 5.288) 6.269 5.522 ( -1.717 0.000 -1.056) 2.015 5.588 ( 3.557 0.000 -3.880) 5.264 5.633 ( -3.217 0.000 -2.351) 3.985 5.686 ( 1.980 0.000 0.646) 2.083 5.708 ( 0.392 0.000 0.083) 0.401 5.748 ( -2.104 0.000 -1.291) 2.468 5.754 ( 3.090 0.000 -2.499) 3.974 5.886 ( -4.060 0.000 2.576) 4.808 5.922 ( 0.186 0.000 -1.808) 1.817 5.978 ( -0.415 0.000 -5.430) 5.446 5.993 ( -7.918 0.000 -3.865) 8.811 6.047 ( 1.047 0.000 -1.659) 1.962 6.062 ( -0.072 0.000 -5.969) 5.970 6.107 ( 10.080 0.000 -2.655) 10.424 6.157 ( 0.865 0.000 0.358) 0.936 6.162 ( -2.201 0.000 2.827) 3.583 6.191 ( 0.277 0.000 -0.309) 0.415 6.287 ( 3.425 0.000 -4.442) 5.609 6.353 ( -2.195 0.000 -2.151) 3.073 6.381 ( -3.061 0.000 -0.360) 3.082 6.502 ( -3.313 0.000 2.515) 4.159 6.520 ( -5.170 0.000 -4.291) 6.719 6.534 ( 3.234 0.000 -3.531) 4.788 6.590 ( 2.529 0.000 -1.458) 2.919 6.606 ( 4.492 0.000 2.530) 5.155 6.707 ( -0.877 0.000 -1.179) 1.469 6.719 ( 4.147 0.000 -0.382) 4.164 6.806 ( -2.410 0.000 -1.990) 3.125 6.849 ( -4.218 0.000 4.272) 6.004 6.875 ( -1.291 0.000 -7.268) 7.382 6.884 ( 0.043 0.000 -4.345) 4.345 7.011 ( -0.429 0.000 -9.194) 9.204 7.033 ( -2.604 0.000 -1.212) 2.872 7.121 ( -3.800 0.000 2.627) 4.619 7.161 ( 3.385 0.000 -0.790) 3.476 7.219 ( 7.645 0.000 -10.086) 12.656 7.247 ( -2.409 0.000 -2.787) 3.684 7.283 ( -0.231 0.000 -7.024) 7.028 7.329 ( 5.291 0.000 -0.105) 5.292 7.378 ( -3.674 0.000 1.237) 3.877 7.418 ( -0.025 0.000 -2.724) 2.724 7.423 ( 4.596 0.000 -3.253) 5.631 7.492 ( 10.939 0.000 4.294) 11.752 7.528 ( 2.120 0.000 -4.819) 5.265 7.597 ( 3.882 0.000 4.319) 5.807 7.693 ( -2.006 0.000 6.913) 7.199 7.696 ( 0.615 0.000 3.134) 3.194 7.749 ( 1.646 0.000 1.151) 2.009 7.751 ( -7.992 0.000 5.145) 9.505 7.811 ( -9.449 0.000 3.735) 10.160 7.871 ( -2.278 0.000 2.717) 3.546 7.949 ( 2.893 0.000 4.728) 5.542 7.963 ( -5.156 0.000 6.143) 8.019 8.004 ( 0.708 0.000 5.653) 5.697 8.056 ( -2.179 0.000 -0.560) 2.249 8.089 ( -1.617 0.000 0.859) 1.831 8.238 ( -5.981 0.000 -1.279) 6.116 8.334 ( -1.596 0.000 -5.819) 6.034 8.369 ( 0.310 0.000 7.954) 7.961 8.399 ( -0.360 0.000 -0.111) 0.376 8.404 ( -4.427 0.000 -0.730) 4.487 8.490 ( -3.485 0.000 4.094) 5.376 8.543 ( 5.100 0.000 7.809) 9.327 8.598 ( -0.461 0.000 -1.828) 1.885 8.665 ( 6.295 0.000 5.156) 8.137 8.819 ( -0.737 0.000 1.922) 2.059 8.841 ( -1.155 0.000 3.688) 3.865 8.932 ( 1.067 0.000 3.740) 3.889 8.972 ( -5.433 0.000 -6.847) 8.740 9.024 ( 6.572 0.000 6.864) 9.503 9.075 ( 0.536 0.000 1.757) 1.837 9.183 ( 6.460 0.000 -0.134) 6.461 9.297 ( 1.142 0.000 4.202) 4.355 9.397 ( -2.899 0.000 3.146) 4.278 9.431 ( -5.545 0.000 -3.385) 6.496 9.439 ( 3.826 0.000 -2.204) 4.416 9.475 ( 1.359 0.000 -3.269) 3.540 9.552 ( -7.473 0.000 -0.052) 7.473 9.642 ( 4.775 0.000 -0.345) 4.788 9.670 ( 3.630 0.000 5.784) 6.829 9.692 ( -4.554 0.000 -5.680) 7.280 9.803 ( -4.959 0.000 -6.253) 7.981 9.853 ( -2.722 0.000 -1.880) 3.308 9.944 ( 6.252 0.000 -0.377) 6.264 10.090 ( 2.390 0.000 3.854) 4.535 10.095 ( 11.698 0.000 3.773) 12.292 10.159 ( 0.751 0.000 2.530) 2.639 10.177 ( -0.129 0.000 -4.819) 4.821 10.323 ( 5.721 0.000 2.884) 6.407 10.533 ( -7.412 0.000 4.317) 8.578 10.636 ( -2.793 0.000 -5.621) 6.277 10.713 ( 0.086 0.000 -1.539) 1.541 10.750 ( 1.143 0.000 -1.706) 2.054 11.006 ( -1.050 0.000 1.476) 1.811 11.053 ( -7.119 0.000 -3.110) 7.769 11.269 ( 3.823 0.000 6.741) 7.750 11.417 ( -2.393 0.000 -1.950) 3.087 11.531 ( 3.788 0.000 -1.552) 4.094 11.568 ( -0.762 0.000 2.804) 2.906 11.664 ( -2.279 0.000 -0.272) 2.295 11.706 ( -0.097 0.000 5.693) 5.694 11.866 ( 2.697 0.000 -8.786) 9.191 11.995 ( -4.994 0.000 2.052) 5.399 12.075 ( -1.898 0.000 -3.895) 4.332 12.165 ( 4.335 0.000 -3.396) 5.507 12.921 ( -1.121 0.000 2.288) 2.548 13.134 ( 0.886 0.000 -2.265) 2.432 13.448 ( -0.908 0.000 2.370) 2.538 13.768 ( 1.055 0.000 -4.581) 4.701 15.214 ( 0.710 0.000 2.176) 2.289 15.589 ( 6.620 0.000 -6.391) 9.201 15.680 ( -0.386 0.000 -1.870) 1.909 15.723 ( 0.554 0.000 -4.530) 4.563 16.232 ( 2.493 0.000 0.937) 2.663 16.299 ( -0.839 0.000 2.405) 2.547 16.308 ( 2.409 0.000 -1.868) 3.048 16.460 ( -9.991 0.000 -1.454) 10.096 16.952 ( 2.678 0.000 -1.498) 3.069 16.975 ( -2.693 0.000 -1.543) 3.104 17.191 ( -4.311 0.000 6.354) 7.678 17.321 ( 0.620 0.000 4.440) 4.483 17.490 ( 0.720 0.000 -0.842) 1.108 17.654 ( 5.407 0.000 0.619) 5.442 17.849 ( -2.436 0.000 6.676) 7.106 18.098 ( 3.851 0.000 -0.164) 3.854 18.184 ( 0.036 0.000 -3.131) 3.132 18.423 ( -3.398 0.000 0.045) 3.398 18.423 ( 0.054 0.000 5.194) 5.195 18.563 ( 3.621 0.000 -0.633) 3.676 18.577 ( -4.676 0.000 1.990) 5.081 18.691 ( -3.917 0.000 -1.263) 4.115 18.783 ( -4.080 0.000 -3.237) 5.208 18.825 ( 6.211 0.000 -2.244) 6.604 19.433 ( -0.198 0.000 -0.486) 0.525 19.453 ( 1.001 0.000 -0.987) 1.406 19.470 ( -0.472 0.000 0.192) 0.509 19.471 ( 0.166 0.000 0.030) 0.169 ======================= Grid point 39 (17/48) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( -28.451 0.000 5.545) 28.986 1.191 ( -24.734 0.000 13.772) 28.310 1.888 ( -5.056 0.000 -0.145) 5.058 2.104 ( -27.954 0.000 0.091) 27.954 2.137 ( -21.461 0.000 9.871) 23.622 2.164 ( -9.126 0.000 -5.368) 10.588 2.398 ( 8.765 0.000 9.808) 13.154 2.477 ( 3.373 0.000 3.685) 4.995 2.489 ( -3.893 0.000 5.577) 6.801 2.622 ( 1.072 0.000 -5.760) 5.859 2.673 ( -7.672 0.000 3.762) 8.544 2.712 ( -3.187 0.000 -3.661) 4.854 2.880 ( 4.147 0.000 1.002) 4.266 2.887 ( 4.077 0.000 -9.797) 10.612 2.972 ( 1.313 0.000 8.574) 8.674 2.991 ( -1.116 0.000 9.636) 9.701 3.099 ( 2.430 0.000 3.391) 4.172 3.184 ( -1.226 0.000 2.016) 2.360 3.297 ( 0.868 0.000 4.191) 4.280 3.303 ( -5.290 0.000 4.762) 7.118 3.339 ( -2.042 0.000 -13.488) 13.641 3.373 ( 0.057 0.000 2.749) 2.749 3.401 ( 10.109 0.000 -7.055) 12.328 3.421 ( 0.309 0.000 0.726) 0.789 3.489 ( -3.518 0.000 1.651) 3.886 3.547 ( -0.179 0.000 -3.985) 3.989 3.589 ( 4.116 0.000 -6.360) 7.575 3.598 ( 2.683 0.000 2.322) 3.548 3.638 ( 0.588 0.000 2.439) 2.509 3.691 ( -1.288 0.000 -2.225) 2.571 3.781 ( 6.632 0.000 -7.024) 9.661 3.814 ( -3.396 0.000 1.387) 3.668 3.965 ( -0.180 0.000 1.329) 1.341 4.005 ( 3.055 0.000 -1.524) 3.414 4.027 ( 5.410 0.000 0.781) 5.466 4.061 ( 2.530 0.000 -2.562) 3.601 4.108 ( 1.718 0.000 2.694) 3.196 4.153 ( -5.312 0.000 -2.082) 5.706 4.171 ( 3.766 0.000 -2.085) 4.305 4.202 ( -2.348 0.000 1.216) 2.644 4.294 ( 0.276 0.000 4.497) 4.505 4.330 ( 2.331 0.000 5.910) 6.353 4.367 ( 0.079 0.000 3.063) 3.064 4.393 ( -3.447 0.000 1.907) 3.939 4.422 ( -1.262 0.000 3.260) 3.496 4.487 ( 6.894 0.000 -1.913) 7.154 4.524 ( 1.176 0.000 0.398) 1.242 4.549 ( -1.430 0.000 3.196) 3.501 4.679 ( -0.613 0.000 -1.190) 1.338 4.733 ( 2.197 0.000 -0.404) 2.234 4.789 ( -2.292 0.000 0.253) 2.306 4.837 ( 0.230 0.000 1.094) 1.118 4.848 ( 5.067 0.000 -2.104) 5.486 4.947 ( 0.632 0.000 -2.041) 2.136 4.979 ( -0.994 0.000 2.684) 2.862 5.006 ( 7.986 0.000 -7.214) 10.762 5.056 ( -3.281 0.000 7.470) 8.158 5.145 ( 1.419 0.000 -2.942) 3.267 5.152 ( 5.493 0.000 3.296) 6.406 5.169 ( 1.051 0.000 3.309) 3.472 5.282 ( -4.127 0.000 -0.477) 4.154 5.303 ( 5.042 0.000 -0.027) 5.042 5.368 ( 5.128 0.000 -0.041) 5.128 5.373 ( 4.478 0.000 5.178) 6.845 5.412 ( 1.344 0.000 -2.631) 2.954 5.474 ( 4.542 0.000 -2.774) 5.322 5.493 ( -0.246 0.000 -4.071) 4.078 5.504 ( 2.486 0.000 -1.716) 3.020 5.564 ( -3.834 0.000 -0.401) 3.855 5.631 ( -0.138 0.000 3.423) 3.426 5.693 ( -0.156 0.000 -1.574) 1.582 5.718 ( -0.313 0.000 -4.872) 4.882 5.734 ( 4.071 0.000 8.615) 9.528 5.797 ( -1.606 0.000 -5.163) 5.407 5.806 ( 2.154 0.000 -2.100) 3.008 5.903 ( -2.321 0.000 -10.620) 10.871 5.945 ( -1.199 0.000 -1.181) 1.683 5.966 ( 7.959 0.000 4.653) 9.219 6.051 ( 2.386 0.000 -2.337) 3.340 6.066 ( 1.982 0.000 -7.634) 7.887 6.138 ( -6.511 0.000 -1.469) 6.675 6.143 ( -0.513 0.000 4.545) 4.574 6.240 ( 2.834 0.000 -2.367) 3.692 6.280 ( 1.815 0.000 -4.569) 4.916 6.317 ( -0.046 0.000 -3.421) 3.421 6.338 ( 7.335 0.000 2.692) 7.814 6.394 ( 3.198 0.000 0.229) 3.207 6.410 ( 7.304 0.000 0.531) 7.323 6.491 ( -0.964 0.000 2.484) 2.664 6.553 ( -0.742 0.000 6.708) 6.749 6.614 ( -2.041 0.000 -7.938) 8.196 6.651 ( 3.431 0.000 -3.001) 4.558 6.693 ( -2.320 0.000 -0.405) 2.355 6.753 ( -4.737 0.000 5.074) 6.941 6.795 ( -0.777 0.000 -3.577) 3.661 6.820 ( 2.985 0.000 -3.700) 4.754 6.842 ( 5.566 0.000 -6.536) 8.585 6.859 ( 3.822 0.000 -2.649) 4.650 6.954 ( -1.870 0.000 -5.856) 6.147 6.982 ( -2.503 0.000 -0.857) 2.646 7.069 ( 0.164 0.000 0.929) 0.944 7.161 ( -2.968 0.000 -4.852) 5.688 7.226 ( 2.396 0.000 -1.645) 2.907 7.248 ( 2.119 0.000 -3.387) 3.995 7.276 ( 5.137 0.000 -10.035) 11.273 7.314 ( -1.934 0.000 4.884) 5.253 7.420 ( -4.143 0.000 -1.275) 4.335 7.434 ( 1.717 0.000 -2.888) 3.360 7.468 ( 3.199 0.000 1.881) 3.711 7.507 ( -2.906 0.000 0.453) 2.941 7.577 ( -5.348 0.000 1.946) 5.691 7.603 ( -3.282 0.000 2.271) 3.991 7.684 ( 1.252 0.000 5.840) 5.972 7.728 ( 3.182 0.000 7.152) 7.828 7.760 ( -4.987 0.000 0.703) 5.036 7.797 ( 6.827 0.000 6.277) 9.274 7.811 ( -3.063 0.000 -0.217) 3.071 7.813 ( 1.225 0.000 2.496) 2.780 7.873 ( -3.109 0.000 6.480) 7.187 7.928 ( -6.472 0.000 -0.893) 6.533 8.022 ( -1.967 0.000 5.628) 5.962 8.059 ( 1.155 0.000 -1.269) 1.716 8.084 ( 1.943 0.000 0.004) 1.943 8.156 ( -0.411 0.000 4.166) 4.186 8.262 ( -2.470 0.000 -4.231) 4.899 8.282 ( -5.867 0.000 3.462) 6.812 8.389 ( -2.564 0.000 3.431) 4.283 8.433 ( 1.058 0.000 2.693) 2.894 8.497 ( 2.400 0.000 1.091) 2.637 8.589 ( 0.565 0.000 -1.004) 1.152 8.617 ( -2.343 0.000 1.779) 2.942 8.756 ( -4.529 0.000 1.169) 4.678 8.834 ( -1.405 0.000 5.550) 5.725 8.872 ( 0.641 0.000 3.461) 3.520 8.902 ( 5.226 0.000 -0.431) 5.244 8.931 ( -1.571 0.000 -0.752) 1.741 9.072 ( -0.543 0.000 0.911) 1.061 9.172 ( 2.618 0.000 5.097) 5.730 9.186 ( -9.673 0.000 -2.187) 9.917 9.283 ( 0.265 0.000 -4.663) 4.670 9.287 ( -7.652 0.000 2.744) 8.129 9.407 ( 2.547 0.000 7.566) 7.984 9.418 ( -8.271 0.000 -2.482) 8.635 9.440 ( -2.776 0.000 0.422) 2.808 9.522 ( 5.271 0.000 0.581) 5.303 9.591 ( 2.232 0.000 -0.410) 2.269 9.655 ( 0.774 0.000 -1.899) 2.050 9.741 ( -6.863 0.000 -3.794) 7.842 9.792 ( 4.515 0.000 7.005) 8.334 9.824 ( 5.584 0.000 -0.555) 5.612 10.018 ( 1.470 0.000 -3.336) 3.646 10.102 ( -3.295 0.000 3.706) 4.959 10.129 ( 0.989 0.000 -4.855) 4.955 10.151 ( -3.100 0.000 0.507) 3.141 10.326 ( 3.543 0.000 -6.844) 7.707 10.428 ( -4.532 0.000 5.873) 7.418 10.453 ( 8.250 0.000 2.502) 8.621 10.620 ( 6.605 0.000 0.099) 6.606 10.708 ( 0.128 0.000 -2.684) 2.687 10.838 ( 6.285 0.000 -1.301) 6.418 10.891 ( -8.206 0.000 -1.372) 8.320 11.019 ( 1.639 0.000 1.878) 2.493 11.335 ( -5.172 0.000 1.104) 5.288 11.371 ( 2.623 0.000 2.120) 3.373 11.495 ( -5.432 0.000 0.547) 5.459 11.569 ( -5.034 0.000 -0.793) 5.096 11.625 ( 3.131 0.000 0.538) 3.177 11.685 ( -5.488 0.000 6.296) 8.352 11.821 ( -0.518 0.000 -16.000) 16.009 11.947 ( -0.096 0.000 0.222) 0.242 11.992 ( -3.577 0.000 -5.186) 6.300 12.323 ( 10.652 0.000 0.043) 10.652 12.913 ( -1.099 0.000 2.191) 2.451 13.146 ( 1.613 0.000 -2.279) 2.792 13.455 ( 0.078 0.000 2.433) 2.435 13.770 ( 2.095 0.000 -4.458) 4.926 15.215 ( -2.140 0.000 2.492) 3.285 15.633 ( 1.544 0.000 -13.555) 13.642 15.659 ( -0.003 0.000 -2.541) 2.541 15.673 ( -1.861 0.000 -3.971) 4.385 16.257 ( -5.799 0.000 -3.993) 7.041 16.287 ( 0.889 0.000 1.189) 1.484 16.339 ( 3.720 0.000 3.925) 5.408 16.355 ( 0.043 0.000 2.484) 2.484 16.919 ( -1.864 0.000 -1.818) 2.604 16.988 ( 1.071 0.000 0.191) 1.088 17.137 ( -4.406 0.000 4.655) 6.410 17.367 ( 1.046 0.000 3.813) 3.954 17.500 ( 0.937 0.000 -0.713) 1.177 17.689 ( 0.561 0.000 -5.107) 5.138 17.903 ( 1.129 0.000 11.993) 12.046 18.155 ( -0.824 0.000 -2.897) 3.012 18.206 ( 6.106 0.000 5.482) 8.206 18.297 ( -6.215 0.000 -2.585) 6.731 18.453 ( -1.661 0.000 4.627) 4.916 18.489 ( -3.455 0.000 2.479) 4.252 18.618 ( -2.259 0.000 -1.207) 2.562 18.629 ( -0.834 0.000 -1.515) 1.729 18.735 ( 3.618 0.000 0.192) 3.623 18.983 ( 9.890 0.000 -2.790) 10.276 19.424 ( -0.289 0.000 -0.660) 0.720 19.459 ( -0.640 0.000 -0.204) 0.672 19.464 ( 0.758 0.000 -0.950) 1.215 19.482 ( 0.636 0.000 0.706) 0.950 ======================= Grid point 40 (18/48) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -24.058 0.000 16.561) 29.207 0.806 ( -26.886 0.000 18.267) 32.504 1.294 ( -41.247 0.000 29.781) 50.874 1.831 ( -1.189 0.000 3.602) 3.793 1.955 ( -7.295 0.000 -5.376) 9.062 2.056 ( -3.416 0.000 8.191) 8.875 2.331 ( -13.560 0.000 5.314) 14.564 2.424 ( -10.867 0.000 -0.206) 10.869 2.453 ( -5.247 0.000 4.296) 6.781 2.547 ( 2.601 0.000 1.628) 3.068 2.642 ( 2.323 0.000 -4.773) 5.309 2.751 ( 1.877 0.000 4.028) 4.443 2.898 ( -0.552 0.000 5.549) 5.577 3.005 ( -2.307 0.000 2.206) 3.192 3.008 ( 2.783 0.000 -1.538) 3.180 3.023 ( 3.155 0.000 -0.170) 3.160 3.152 ( -0.248 0.000 -1.242) 1.267 3.204 ( -3.974 0.000 2.448) 4.668 3.224 ( -2.378 0.000 -10.678) 10.939 3.238 ( 4.700 0.000 0.755) 4.760 3.341 ( -4.025 0.000 0.800) 4.104 3.366 ( -0.615 0.000 5.313) 5.348 3.448 ( 5.232 0.000 -1.933) 5.577 3.468 ( 2.180 0.000 -2.020) 2.972 3.535 ( 6.579 0.000 -3.045) 7.249 3.569 ( -1.098 0.000 -3.864) 4.017 3.585 ( 2.734 0.000 5.352) 6.010 3.645 ( 4.427 0.000 -5.509) 7.067 3.674 ( -3.371 0.000 4.442) 5.576 3.688 ( 3.234 0.000 1.939) 3.771 3.848 ( 5.084 0.000 0.069) 5.084 3.926 ( -3.208 0.000 2.832) 4.279 3.946 ( 8.649 0.000 -5.254) 10.120 3.987 ( 1.104 0.000 -8.216) 8.290 4.031 ( -10.044 0.000 6.070) 11.736 4.056 ( 3.128 0.000 -7.787) 8.391 4.127 ( 2.900 0.000 -3.415) 4.481 4.191 ( 6.074 0.000 -1.490) 6.254 4.221 ( 4.293 0.000 -2.989) 5.231 4.266 ( 5.487 0.000 1.903) 5.807 4.287 ( -3.169 0.000 -1.347) 3.443 4.344 ( -0.128 0.000 -0.453) 0.470 4.392 ( -0.107 0.000 -4.684) 4.685 4.397 ( 0.508 0.000 5.565) 5.588 4.453 ( 0.754 0.000 6.673) 6.716 4.543 ( -1.845 0.000 2.791) 3.346 4.552 ( -0.258 0.000 0.540) 0.598 4.591 ( 2.151 0.000 -0.234) 2.164 4.648 ( 2.103 0.000 1.944) 2.864 4.659 ( -6.357 0.000 -4.899) 8.026 4.761 ( 0.055 0.000 -1.603) 1.603 4.845 ( 2.500 0.000 2.875) 3.810 4.868 ( 0.181 0.000 -6.722) 6.725 4.944 ( -0.516 0.000 6.324) 6.345 4.976 ( -1.241 0.000 6.594) 6.710 4.979 ( -4.613 0.000 -1.482) 4.845 5.043 ( 1.445 0.000 -6.823) 6.975 5.079 ( -6.910 0.000 4.251) 8.113 5.193 ( -0.950 0.000 -0.496) 1.071 5.294 ( -3.143 0.000 -2.921) 4.290 5.323 ( 3.223 0.000 2.743) 4.233 5.328 ( 8.348 0.000 2.825) 8.813 5.421 ( 0.923 0.000 -4.921) 5.007 5.430 ( 4.203 0.000 -2.290) 4.786 5.479 ( 3.107 0.000 -0.335) 3.125 5.493 ( -0.100 0.000 2.792) 2.793 5.525 ( 3.097 0.000 1.059) 3.273 5.579 ( 4.798 0.000 -3.618) 6.009 5.631 ( 4.374 0.000 -1.662) 4.679 5.660 ( -0.660 0.000 -1.997) 2.103 5.674 ( 1.692 0.000 -0.588) 1.792 5.726 ( 4.651 0.000 1.327) 4.837 5.808 ( -0.613 0.000 -3.024) 3.086 5.824 ( 2.421 0.000 -4.257) 4.898 5.846 ( 6.664 0.000 1.112) 6.756 5.872 ( -7.023 0.000 -5.649) 9.013 5.899 ( -1.303 0.000 1.601) 2.064 5.955 ( 7.791 0.000 6.649) 10.243 6.031 ( -0.343 0.000 3.436) 3.453 6.078 ( 0.247 0.000 -6.206) 6.211 6.112 ( -0.634 0.000 0.457) 0.782 6.211 ( 0.907 0.000 0.182) 0.925 6.275 ( 0.904 0.000 2.862) 3.001 6.318 ( 10.193 0.000 1.962) 10.380 6.371 ( 2.844 0.000 -3.685) 4.655 6.381 ( -7.595 0.000 2.971) 8.155 6.475 ( 0.219 0.000 -3.200) 3.207 6.506 ( 3.893 0.000 -7.179) 8.166 6.548 ( 4.815 0.000 -1.744) 5.121 6.563 ( 5.209 0.000 1.852) 5.528 6.583 ( -4.605 0.000 3.830) 5.990 6.645 ( -0.036 0.000 6.349) 6.349 6.660 ( 2.251 0.000 -1.900) 2.946 6.762 ( -0.721 0.000 1.885) 2.018 6.821 ( -3.837 0.000 -3.210) 5.003 6.875 ( 4.890 0.000 -6.403) 8.057 6.878 ( 2.038 0.000 4.068) 4.550 6.914 ( 10.727 0.000 2.593) 11.036 6.939 ( 5.849 0.000 -1.082) 5.948 7.010 ( 6.566 0.000 -5.601) 8.631 7.080 ( -1.822 0.000 -4.929) 5.255 7.138 ( 4.156 0.000 0.093) 4.157 7.249 ( -0.753 0.000 -0.248) 0.793 7.252 ( -3.061 0.000 -11.637) 12.032 7.273 ( -7.829 0.000 4.195) 8.882 7.315 ( 6.311 0.000 -1.491) 6.485 7.357 ( 2.623 0.000 5.894) 6.452 7.398 ( 0.991 0.000 -4.025) 4.145 7.443 ( -1.186 0.000 1.428) 1.856 7.446 ( -3.430 0.000 -1.076) 3.595 7.583 ( -5.300 0.000 0.281) 5.307 7.594 ( 0.337 0.000 -3.126) 3.144 7.623 ( -4.500 0.000 6.324) 7.761 7.651 ( -8.793 0.000 -4.311) 9.793 7.767 ( 1.569 0.000 -2.466) 2.923 7.813 ( 0.870 0.000 1.287) 1.554 7.828 ( 4.938 0.000 6.143) 7.882 7.880 ( 1.023 0.000 1.411) 1.743 7.925 ( -1.101 0.000 5.530) 5.639 7.978 ( 7.591 0.000 12.520) 14.641 7.989 ( -2.922 0.000 8.880) 9.348 8.091 ( -1.231 0.000 0.800) 1.468 8.166 ( 6.794 0.000 2.308) 7.175 8.204 ( -0.611 0.000 -4.978) 5.016 8.218 ( 3.176 0.000 4.315) 5.358 8.249 ( -0.448 0.000 3.860) 3.886 8.331 ( -5.796 0.000 5.138) 7.745 8.438 ( 0.547 0.000 -2.942) 2.992 8.538 ( -7.140 0.000 -0.046) 7.140 8.555 ( 2.012 0.000 -1.134) 2.310 8.601 ( -8.959 0.000 -0.657) 8.983 8.617 ( 3.474 0.000 -1.036) 3.625 8.762 ( -8.232 0.000 -2.558) 8.620 8.855 ( -2.349 0.000 1.330) 2.699 8.891 ( -9.160 0.000 -0.243) 9.163 8.907 ( -0.157 0.000 2.950) 2.954 9.055 ( -0.042 0.000 1.867) 1.868 9.097 ( 3.931 0.000 -0.837) 4.019 9.142 ( -3.178 0.000 -0.084) 3.179 9.240 ( -1.798 0.000 4.453) 4.802 9.245 ( -2.207 0.000 -3.756) 4.357 9.327 ( -1.120 0.000 1.816) 2.133 9.409 ( -0.878 0.000 2.858) 2.990 9.482 ( 0.701 0.000 1.461) 1.620 9.564 ( -6.687 0.000 -3.655) 7.621 9.609 ( 1.559 0.000 -2.353) 2.823 9.701 ( 1.948 0.000 -1.816) 2.663 9.712 ( 9.269 0.000 4.870) 10.470 9.916 ( 2.432 0.000 0.052) 2.433 9.945 ( 4.523 0.000 8.603) 9.720 10.010 ( -5.153 0.000 -4.040) 6.548 10.011 ( 1.481 0.000 -5.780) 5.967 10.087 ( -1.179 0.000 -3.052) 3.271 10.088 ( -2.797 0.000 3.530) 4.503 10.358 ( 7.747 0.000 -11.569) 13.923 10.440 ( -13.656 0.000 -5.742) 14.814 10.547 ( -1.181 0.000 4.713) 4.859 10.562 ( 2.973 0.000 -4.423) 5.329 10.793 ( -1.755 0.000 4.791) 5.102 10.818 ( 9.976 0.000 1.181) 10.046 10.895 ( 1.138 0.000 -1.236) 1.680 11.080 ( 0.963 0.000 -1.607) 1.873 11.273 ( -1.695 0.000 8.863) 9.024 11.318 ( -7.931 0.000 -6.625) 10.334 11.379 ( -6.287 0.000 2.777) 6.873 11.487 ( -2.811 0.000 -1.750) 3.311 11.551 ( -8.270 0.000 1.041) 8.335 11.673 ( -3.670 0.000 -9.464) 10.151 11.704 ( 1.536 0.000 1.947) 2.480 11.895 ( -2.753 0.000 -3.685) 4.600 11.982 ( 2.241 0.000 3.105) 3.829 12.494 ( 6.071 0.000 -1.645) 6.289 12.911 ( -0.661 0.000 2.787) 2.865 13.162 ( 1.481 0.000 -2.508) 2.913 13.477 ( 0.400 0.000 2.473) 2.505 13.788 ( 2.259 0.000 -4.104) 4.684 15.171 ( -3.070 0.000 1.088) 3.257 15.361 ( -16.813 0.000 -23.082) 28.556 15.636 ( -1.801 0.000 -0.866) 1.998 15.657 ( 1.280 0.000 -2.295) 2.628 16.171 ( -1.546 0.000 -0.068) 1.547 16.297 ( 0.030 0.000 -0.360) 0.361 16.432 ( 2.014 0.000 4.824) 5.228 16.447 ( 8.216 0.000 8.024) 11.485 16.889 ( -0.248 0.000 -0.612) 0.661 16.971 ( -4.178 0.000 3.595) 5.512 17.108 ( 0.191 0.000 1.075) 1.092 17.389 ( -0.925 0.000 1.709) 1.943 17.518 ( 1.218 0.000 -0.838) 1.479 17.665 ( 0.644 0.000 -5.926) 5.961 17.946 ( -2.755 0.000 1.896) 3.345 18.129 ( -0.024 0.000 -1.969) 1.969 18.185 ( -3.382 0.000 -2.533) 4.225 18.353 ( 1.463 0.000 4.537) 4.767 18.367 ( -3.644 0.000 -5.172) 6.326 18.537 ( -0.418 0.000 7.404) 7.415 18.585 ( -1.131 0.000 -2.056) 2.346 18.729 ( 16.245 0.000 17.508) 23.884 18.828 ( 3.629 0.000 1.540) 3.942 19.134 ( 7.020 0.000 -4.466) 8.321 19.415 ( -0.124 0.000 -0.876) 0.885 19.447 ( -0.350 0.000 0.412) 0.541 19.470 ( 0.482 0.000 -1.125) 1.224 19.505 ( 1.148 0.000 0.959) 1.496 ======================= Grid point 41 (19/48) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 7.854 17.263 22.932) 29.759 1.003 ( 0.823 27.972 22.232) 35.740 1.382 ( -1.117 23.846 38.458) 45.265 1.810 ( 1.330 -2.585 3.045) 4.210 1.917 ( 1.001 1.790 -0.478) 2.106 1.971 ( 2.453 -12.819 8.404) 15.524 2.116 ( -2.074 -7.874 16.789) 18.659 2.305 ( -1.478 3.999 -7.625) 8.736 2.481 ( -2.137 6.200 1.965) 6.846 2.597 ( -1.913 -2.577 -1.798) 3.679 2.650 ( 3.026 3.906 -2.675) 5.619 2.727 ( -4.387 -3.190 4.573) 7.095 2.896 ( -0.123 -4.709 -2.233) 5.213 2.923 ( -3.313 -2.139 7.617) 8.577 2.941 ( -8.359 1.651 -5.654) 10.226 3.040 ( -0.320 4.493 -5.222) 6.896 3.135 ( -3.134 -0.220 -2.267) 3.874 3.149 ( -1.175 1.018 -0.303) 1.584 3.218 ( 1.437 -0.895 -4.573) 4.877 3.287 ( 0.385 -5.202 -0.927) 5.298 3.306 ( -1.833 -0.631 0.694) 2.059 3.356 ( 0.337 -4.671 0.177) 4.686 3.423 ( 3.059 2.906 -7.394) 8.513 3.503 ( 0.049 -4.471 -0.606) 4.512 3.535 ( 0.902 -3.889 0.712) 4.055 3.564 ( 1.774 0.891 1.530) 2.506 3.590 ( -2.999 0.304 0.072) 3.016 3.619 ( -1.546 1.354 -0.352) 2.086 3.715 ( 5.148 4.945 -2.110) 7.444 3.813 ( 1.238 -7.122 1.697) 7.425 3.879 ( 0.322 5.148 -0.553) 5.188 3.907 ( 0.080 -1.006 0.546) 1.147 3.939 ( -0.711 -0.608 -1.749) 1.984 3.954 ( 1.293 -3.089 -5.917) 6.799 4.027 ( -2.589 1.193 1.347) 3.153 4.065 ( -1.907 -0.187 -0.561) 1.996 4.138 ( -2.609 0.126 -4.235) 4.976 4.144 ( -0.468 -1.374 -2.939) 3.278 4.187 ( 1.882 -3.547 -2.681) 4.828 4.249 ( 0.964 -0.520 2.027) 2.305 4.283 ( -0.639 -2.472 -5.566) 6.124 4.337 ( -0.237 -2.898 -1.905) 3.476 4.349 ( -3.600 -0.109 -0.659) 3.662 4.397 ( 4.801 -0.451 -3.461) 5.935 4.466 ( 0.967 -0.035 -0.320) 1.019 4.494 ( -3.671 -1.179 3.220) 5.023 4.565 ( -1.171 -0.351 1.178) 1.698 4.610 ( -0.986 -3.397 -0.686) 3.603 4.662 ( 2.748 -0.459 -0.918) 2.933 4.701 ( 4.949 2.110 -1.758) 5.659 4.770 ( -1.180 1.915 -0.362) 2.278 4.865 ( -0.820 3.364 2.069) 4.033 4.907 ( 1.196 3.920 -6.095) 7.345 4.941 ( -1.938 1.134 3.248) 3.948 4.960 ( -2.313 2.929 3.630) 5.206 4.982 ( 0.424 1.159 2.586) 2.865 5.081 ( 3.124 -0.724 7.776) 8.411 5.095 ( 5.922 2.100 1.372) 6.432 5.176 ( -1.721 0.297 -4.787) 5.095 5.284 ( -1.704 -0.062 -2.375) 2.924 5.308 ( -1.574 5.536 -1.109) 5.861 5.378 ( -1.062 -0.226 -3.155) 3.336 5.389 ( 1.117 -1.009 2.885) 3.254 5.436 ( 4.130 -3.159 -1.712) 5.474 5.509 ( -1.444 -0.620 -1.849) 2.427 5.543 ( 2.142 -1.104 2.207) 3.268 5.565 ( -1.646 -0.054 -1.032) 1.943 5.614 ( -2.893 1.770 -1.214) 3.602 5.626 ( 1.932 -1.408 -1.021) 2.600 5.691 ( -3.149 -0.059 -4.930) 5.851 5.698 ( 0.545 0.842 -2.291) 2.501 5.729 ( 1.537 6.354 -1.605) 6.731 5.799 ( 2.048 -0.910 1.082) 2.488 5.838 ( 1.508 -0.303 1.458) 2.119 5.873 ( -2.063 -0.590 1.748) 2.767 5.898 ( 2.592 -0.681 4.413) 5.163 5.957 ( -4.880 -1.511 -2.674) 5.766 5.966 ( 1.311 -7.846 -0.659) 7.982 6.062 ( 7.962 1.131 -0.172) 8.044 6.100 ( -1.901 -1.300 1.682) 2.852 6.144 ( -7.550 -1.596 3.836) 8.618 6.189 ( 2.323 0.237 2.948) 3.761 6.242 ( -4.515 -2.559 -4.766) 7.046 6.284 ( 4.825 -2.218 0.754) 5.364 6.326 ( -2.348 -5.407 0.920) 5.966 6.397 ( -2.574 -1.684 -0.213) 3.084 6.424 ( 0.061 3.018 -1.243) 3.265 6.479 ( -1.633 2.596 -2.298) 3.832 6.578 ( 1.510 -5.092 6.955) 8.751 6.625 ( -1.492 1.192 -0.770) 2.059 6.684 ( 3.319 3.144 0.636) 4.616 6.694 ( -3.912 0.874 -0.776) 4.083 6.715 ( 3.435 -3.180 -2.140) 5.147 6.779 ( 4.946 1.126 -3.247) 6.022 6.808 ( 5.169 4.097 -1.016) 6.674 6.846 ( -2.879 -2.520 -2.003) 4.319 6.902 ( 3.678 -1.331 -3.502) 5.250 6.941 ( -1.843 2.865 4.403) 5.567 6.985 ( -2.567 -3.563 -1.029) 4.511 7.024 ( -1.873 1.983 -5.511) 6.149 7.087 ( 1.464 -1.896 2.474) 3.444 7.156 ( 5.514 -0.575 -7.306) 9.171 7.202 ( 1.880 -0.768 -4.386) 4.833 7.218 ( 0.718 0.031 0.490) 0.869 7.267 ( -3.116 -2.195 -0.752) 3.885 7.334 ( -1.687 1.075 3.451) 3.989 7.371 ( -3.388 -0.977 3.192) 4.756 7.401 ( -0.253 -2.862 2.271) 3.662 7.414 ( 0.621 1.643 0.621) 1.863 7.466 ( 1.297 1.138 1.120) 2.057 7.543 ( 2.099 2.398 -0.394) 3.211 7.551 ( -0.663 3.612 -1.616) 4.012 7.642 ( 0.124 1.441 -0.351) 1.488 7.696 ( -4.681 2.687 -1.532) 5.611 7.715 ( -1.633 3.828 0.181) 4.166 7.788 ( 0.381 3.463 0.625) 3.540 7.870 ( -1.242 -1.421 2.071) 2.802 7.896 ( -1.565 1.587 3.741) 4.355 7.920 ( 4.213 -2.858 3.268) 6.050 8.045 ( -1.014 -0.756 3.046) 3.298 8.066 ( -2.266 -1.229 4.005) 4.763 8.119 ( -0.058 -2.755 4.764) 5.503 8.136 ( -2.111 -2.425 8.873) 9.437 8.199 ( -6.227 1.474 1.719) 6.626 8.244 ( 1.992 -0.180 1.622) 2.575 8.288 ( -9.626 -0.128 -1.979) 9.828 8.306 ( -0.007 -2.016 4.304) 4.753 8.369 ( 3.031 -0.538 -0.974) 3.228 8.418 ( 2.635 -5.353 1.782) 6.227 8.444 ( 2.703 -2.573 -1.564) 4.046 8.553 ( 4.890 -1.236 -3.431) 6.101 8.599 ( -1.926 -0.815 0.647) 2.189 8.682 ( -3.190 -1.313 1.663) 3.830 8.753 ( -1.050 2.584 0.305) 2.806 8.831 ( -2.198 0.441 1.271) 2.577 8.893 ( -1.925 1.027 -1.717) 2.777 8.951 ( -4.157 4.904 -2.470) 6.887 9.057 ( 0.918 -2.955 -1.131) 3.295 9.127 ( -0.253 -4.510 -0.624) 4.560 9.187 ( -0.100 0.650 -1.338) 1.491 9.262 ( -2.437 4.646 -4.469) 6.892 9.303 ( -3.102 3.014 -1.142) 4.474 9.391 ( -2.146 2.794 5.142) 6.234 9.463 ( 1.052 -0.663 0.260) 1.270 9.512 ( 1.717 1.897 1.717) 3.081 9.605 ( -0.260 -1.954 -0.206) 1.982 9.684 ( 3.271 0.920 -0.764) 3.483 9.740 ( -1.985 0.633 1.573) 2.611 9.799 ( 1.420 -2.537 0.375) 2.931 9.880 ( -3.769 -3.296 -2.082) 5.422 9.945 ( -3.477 -1.635 0.936) 3.955 9.956 ( -0.235 -4.064 0.426) 4.093 10.068 ( 0.597 1.523 -0.357) 1.674 10.101 ( -0.566 1.849 -2.640) 3.272 10.297 ( 3.858 -0.107 9.715) 10.454 10.433 ( 4.684 -0.269 -8.391) 9.614 10.505 ( 1.200 -3.509 -0.459) 3.737 10.668 ( 5.611 -8.886 -1.604) 10.631 10.780 ( -2.342 -1.537 0.012) 2.801 10.869 ( -2.324 -7.603 2.412) 8.308 11.040 ( 2.297 4.217 2.639) 5.479 11.077 ( 5.838 4.280 4.270) 8.404 11.277 ( 3.739 -3.600 6.732) 8.501 11.293 ( -2.760 0.588 1.143) 3.045 11.355 ( -0.848 -0.048 5.421) 5.487 11.374 ( -2.517 -3.381 -3.279) 5.340 11.561 ( -1.168 0.083 -0.055) 1.173 11.728 ( 4.957 -5.137 -3.673) 8.028 11.761 ( -0.892 5.636 0.499) 5.728 12.023 ( 2.521 1.983 1.180) 3.418 12.067 ( 4.149 11.369 -3.866) 12.705 12.485 ( -1.956 -2.533 -4.211) 5.289 12.993 ( -0.772 7.692 3.424) 8.455 13.402 ( 2.594 6.426 -5.364) 8.763 13.477 ( -0.668 6.030 -5.597) 8.254 13.787 ( 1.618 -1.469 -4.369) 4.885 15.092 ( 0.699 3.827 0.771) 3.966 15.242 ( 0.730 7.227 -8.466) 11.155 15.601 ( 1.189 -1.012 -0.737) 1.727 15.667 ( 1.977 -0.612 -2.768) 3.456 16.180 ( 0.661 1.195 1.041) 1.717 16.277 ( -0.248 -0.694 -1.422) 1.602 16.456 ( -2.609 0.582 4.225) 5.000 16.649 ( 6.599 -7.000 2.593) 9.963 16.947 ( -0.565 3.873 1.581) 4.221 17.005 ( 5.548 4.586 1.331) 7.320 17.133 ( 2.471 -1.257 2.300) 3.602 17.337 ( -2.985 -1.800 -1.847) 3.945 17.470 ( -11.419 -7.960 6.786) 15.486 17.513 ( -0.936 -3.166 -1.482) 3.618 17.803 ( -0.878 -2.324 4.637) 5.260 17.970 ( 1.950 -7.506 4.090) 8.768 18.157 ( 0.016 1.730 -1.807) 2.501 18.251 ( -2.360 -0.381 -5.126) 5.656 18.382 ( -0.850 1.315 2.169) 2.676 18.522 ( 0.066 -3.278 2.467) 4.103 18.623 ( 0.126 3.863 5.436) 6.670 18.848 ( -0.285 -2.370 2.072) 3.161 19.156 ( -0.774 2.161 -8.334) 8.644 19.182 ( 0.861 2.085 -7.733) 8.055 19.413 ( 0.457 0.206 -0.253) 0.561 19.446 ( -0.065 -0.239 0.099) 0.267 19.455 ( -0.864 0.464 0.421) 1.067 19.500 ( -0.033 0.045 0.274) 0.280 ======================= Grid point 42 (20/48) ======================= q-point: ( 0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.233 ( 14.451 17.202 18.064) 28.828 1.265 ( 12.891 19.486 21.043) 31.443 1.882 ( 8.484 6.396 5.211) 11.833 1.919 ( 21.505 6.494 26.479) 34.724 1.962 ( 7.913 0.914 -4.036) 8.930 2.095 ( 4.455 -6.841 9.123) 12.242 2.284 ( 5.642 -1.521 -6.205) 8.523 2.328 ( 3.996 -0.309 12.795) 13.408 2.453 ( -0.919 4.252 -1.103) 4.488 2.572 ( -0.165 0.641 4.060) 4.114 2.639 ( 0.772 1.491 -3.687) 4.052 2.716 ( -1.365 -5.424 3.847) 6.789 2.743 ( -6.850 -0.413 -3.843) 7.866 2.878 ( -2.564 -4.397 1.772) 5.389 2.904 ( -0.021 0.962 2.250) 2.447 2.979 ( -3.483 -0.171 -5.342) 6.379 3.094 ( 2.017 -2.433 -3.234) 4.522 3.112 ( -0.914 -0.444 -0.386) 1.087 3.148 ( -4.886 0.525 -1.553) 5.153 3.253 ( 0.785 -1.267 -1.314) 1.987 3.322 ( -4.099 2.410 -4.223) 6.360 3.351 ( 2.687 -5.140 -4.740) 7.490 3.430 ( -0.012 -2.290 5.457) 5.918 3.487 ( 2.114 0.581 -1.731) 2.793 3.524 ( -2.283 0.825 5.397) 5.918 3.567 ( -0.560 -3.335 -0.278) 3.393 3.581 ( -0.430 -2.861 2.039) 3.539 3.686 ( 3.660 2.063 -0.701) 4.260 3.739 ( -2.031 0.281 -3.546) 4.096 3.788 ( 0.044 1.490 -6.306) 6.480 3.849 ( -3.728 3.661 -9.868) 11.166 3.876 ( -3.168 3.140 -2.198) 4.972 3.886 ( -0.875 -6.285 2.313) 6.754 3.927 ( 0.997 -1.140 -3.611) 3.916 3.974 ( 3.305 -4.535 2.280) 6.057 4.057 ( -2.529 -4.903 2.391) 6.013 4.093 ( -2.561 1.412 3.840) 4.827 4.147 ( -0.136 0.935 -3.464) 3.591 4.175 ( -1.179 -3.135 -6.196) 7.043 4.205 ( -1.070 0.748 -0.106) 1.310 4.271 ( 0.753 -2.395 -1.559) 2.955 4.328 ( 2.061 5.046 0.791) 5.507 4.352 ( -0.181 -2.250 0.822) 2.402 4.399 ( -2.258 -0.484 5.660) 6.113 4.458 ( -3.325 -4.450 4.962) 7.449 4.486 ( 0.763 -1.003 -4.802) 4.965 4.567 ( 1.669 -2.012 1.795) 3.171 4.618 ( 3.263 -5.350 -2.321) 6.683 4.686 ( -3.954 0.390 3.548) 5.327 4.739 ( -0.982 -0.256 -1.312) 1.659 4.774 ( -1.950 2.906 -1.194) 3.698 4.798 ( 0.869 4.076 -2.127) 4.679 4.884 ( -2.675 3.767 1.738) 4.936 4.942 ( 1.870 2.721 -7.362) 8.068 4.965 ( -0.759 4.640 -0.007) 4.702 4.988 ( -0.417 5.312 5.782) 7.863 5.094 ( -4.249 2.982 -2.332) 5.691 5.127 ( -0.356 0.018 -0.134) 0.381 5.207 ( -2.862 3.178 -0.419) 4.297 5.221 ( -0.683 -2.786 -5.780) 6.453 5.293 ( 2.743 0.263 4.482) 5.261 5.343 ( -0.903 0.905 1.392) 1.890 5.433 ( -0.933 -1.163 2.561) 2.964 5.459 ( -2.181 -0.707 -3.292) 4.012 5.473 ( -6.804 0.301 1.021) 6.887 5.490 ( -0.675 1.372 -0.936) 1.793 5.533 ( -3.285 0.304 -1.297) 3.545 5.552 ( 1.748 -2.958 -0.433) 3.463 5.649 ( -3.192 1.830 -2.013) 4.194 5.671 ( -0.248 -1.297 -1.167) 1.762 5.686 ( 3.482 1.502 -2.313) 4.442 5.704 ( -4.951 4.304 1.916) 6.834 5.753 ( -3.471 0.733 -0.004) 3.547 5.840 ( -9.082 0.064 -2.516) 9.424 5.862 ( 1.665 -1.207 0.280) 2.076 5.884 ( 2.676 -3.537 -0.676) 4.487 5.935 ( 0.076 -1.951 -1.007) 2.197 5.958 ( 0.308 -2.155 -1.215) 2.493 6.006 ( 2.317 0.607 3.191) 3.990 6.113 ( 1.584 -2.434 2.463) 3.808 6.175 ( 0.769 -2.233 -1.802) 2.970 6.216 ( -5.803 -3.272 2.932) 7.279 6.261 ( 0.310 -2.458 1.132) 2.724 6.269 ( 2.163 0.103 0.587) 2.244 6.327 ( 4.539 -0.458 2.196) 5.063 6.369 ( -2.867 -0.961 -0.754) 3.116 6.443 ( -0.838 2.603 -3.236) 4.237 6.486 ( -2.610 -0.501 0.135) 2.661 6.526 ( -3.685 -1.690 -2.635) 4.835 6.551 ( 2.999 0.160 0.592) 3.061 6.691 ( -2.183 3.872 -3.834) 5.870 6.707 ( 0.956 -5.369 -0.232) 5.459 6.746 ( -0.436 -2.915 -0.757) 3.044 6.764 ( -1.084 0.888 -2.760) 3.095 6.817 ( 1.840 -0.625 -3.159) 3.709 6.856 ( -2.503 1.885 -1.163) 3.342 6.897 ( 1.097 2.284 0.780) 2.651 6.950 ( 1.623 0.979 -1.069) 2.176 6.997 ( 5.486 -0.849 -4.938) 7.429 7.017 ( 3.465 -0.314 0.679) 3.544 7.068 ( -1.123 2.632 -0.378) 2.886 7.128 ( -7.488 3.126 -1.391) 8.232 7.155 ( 0.398 -0.015 -3.789) 3.810 7.195 ( -2.253 0.560 -2.112) 3.139 7.243 ( -2.914 -3.132 2.294) 4.854 7.291 ( -2.013 -3.173 0.630) 3.810 7.360 ( 0.382 -0.139 -1.850) 1.894 7.394 ( -0.646 2.301 0.056) 2.391 7.450 ( -0.232 1.576 -5.283) 5.518 7.496 ( -3.109 -3.064 0.909) 4.459 7.538 ( 1.260 0.104 -0.449) 1.342 7.579 ( 1.938 7.008 2.413) 7.661 7.635 ( 0.625 3.633 0.885) 3.791 7.657 ( 6.608 3.369 5.773) 9.399 7.716 ( 0.455 1.364 3.899) 4.155 7.782 ( -4.973 3.152 2.622) 6.445 7.862 ( 3.216 2.025 2.635) 4.625 7.910 ( -5.388 0.315 3.541) 6.455 7.949 ( -1.930 -3.297 2.906) 4.799 8.030 ( 0.491 0.010 0.824) 0.959 8.050 ( -3.530 1.341 3.272) 4.996 8.126 ( 1.083 -0.664 7.021) 7.135 8.139 ( -3.107 -2.859 2.450) 4.882 8.157 ( -1.866 -0.022 2.387) 3.030 8.210 ( 4.496 -1.775 0.796) 4.899 8.284 ( -1.447 -2.314 1.549) 3.139 8.304 ( 0.720 1.944 5.267) 5.660 8.407 ( 1.265 -1.939 -0.651) 2.405 8.527 ( 5.631 -1.630 0.688) 5.902 8.567 ( 4.790 -2.496 -0.849) 5.468 8.607 ( -0.486 -2.529 3.556) 4.391 8.659 ( 4.496 -2.025 -3.240) 5.900 8.728 ( 2.095 -0.656 1.265) 2.534 8.763 ( 7.144 -1.821 -0.484) 7.388 8.818 ( -1.671 3.597 -3.651) 5.391 8.875 ( 3.857 4.814 0.415) 6.183 8.947 ( 3.059 -2.225 -0.277) 3.793 9.066 ( -1.552 -1.650 -0.947) 2.455 9.137 ( 4.024 2.815 -0.475) 4.934 9.188 ( -2.209 4.157 0.401) 4.725 9.199 ( 2.616 1.393 -2.900) 4.147 9.320 ( 5.523 0.220 1.673) 5.775 9.363 ( -1.682 0.564 2.365) 2.957 9.483 ( 0.256 -0.624 -1.755) 1.880 9.542 ( -0.001 1.485 3.709) 3.995 9.583 ( -3.469 -0.502 -2.175) 4.126 9.640 ( -1.171 2.736 -1.181) 3.202 9.761 ( -0.713 -2.914 -0.290) 3.014 9.790 ( -1.166 -1.512 -1.504) 2.431 9.869 ( -2.720 -3.285 3.437) 5.478 9.928 ( 3.441 -3.143 3.552) 5.860 9.944 ( 0.551 -2.912 -1.086) 3.156 10.072 ( -0.879 1.334 -3.456) 3.807 10.092 ( 2.685 0.390 -2.206) 3.497 10.349 ( -3.884 -0.726 -6.330) 7.462 10.405 ( -6.377 -2.128 -8.171) 10.581 10.485 ( 5.031 1.947 6.064) 8.116 10.680 ( -0.792 -0.641 -1.740) 2.016 10.744 ( -1.467 -1.567 1.312) 2.515 10.902 ( -1.137 -7.908 3.834) 8.862 11.091 ( 0.717 2.467 2.548) 3.619 11.140 ( -2.251 2.634 0.718) 3.538 11.270 ( 4.039 2.374 2.079) 5.126 11.364 ( 3.073 -1.665 0.320) 3.510 11.408 ( 2.031 -0.109 3.345) 3.915 11.440 ( 5.970 -5.865 2.949) 8.874 11.521 ( -1.818 1.974 -0.572) 2.744 11.735 ( -1.398 5.896 -0.326) 6.068 11.805 ( 4.094 -7.190 -3.356) 8.929 12.063 ( -0.456 -2.640 3.413) 4.339 12.105 ( 1.839 1.977 -3.461) 4.389 12.349 ( -8.144 -2.259 -5.489) 10.078 12.996 ( -0.920 7.429 3.123) 8.111 13.361 ( -2.126 15.352 -7.586) 17.255 13.433 ( -1.647 -3.938 3.253) 5.367 13.780 ( 0.570 -1.758 -4.256) 4.640 15.131 ( 2.041 1.132 -0.061) 2.335 15.318 ( 9.047 0.635 -8.410) 12.368 15.640 ( 3.529 0.025 -2.165) 4.140 15.706 ( 3.355 1.035 -2.344) 4.222 16.210 ( 1.643 1.038 1.022) 2.195 16.250 ( -1.107 0.267 -2.022) 2.321 16.402 ( -4.504 1.484 3.439) 5.858 16.722 ( 0.221 -7.297 -0.773) 7.341 16.916 ( -1.099 2.786 -0.903) 3.128 17.122 ( -3.387 -3.366 6.302) 7.907 17.203 ( -2.008 -1.122 0.882) 2.464 17.270 ( 8.355 -1.580 -2.178) 8.778 17.354 ( -4.082 1.144 6.217) 7.525 17.500 ( -0.585 -0.797 0.090) 0.993 17.825 ( 0.159 -1.621 3.328) 3.705 18.017 ( 0.368 -7.257 1.179) 7.361 18.174 ( 2.629 1.559 -2.072) 3.693 18.224 ( 2.871 0.193 -2.455) 3.783 18.386 ( -0.105 1.395 2.315) 2.705 18.542 ( 0.811 -3.552 1.184) 3.831 18.658 ( -0.128 3.217 5.215) 6.129 18.820 ( -3.627 -0.841 1.901) 4.181 18.974 ( -10.169 4.689 -2.159) 11.405 19.073 ( -5.295 -0.123 -6.139) 8.108 19.424 ( 0.607 0.296 -0.736) 0.999 19.438 ( 0.100 0.691 -0.290) 0.756 19.466 ( 0.311 -0.063 0.287) 0.427 19.503 ( 0.129 0.885 0.164) 0.909 ======================= Grid point 43 (21/48) ======================= q-point: ( 0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( 14.287 15.009 11.509) 23.704 1.675 ( 13.387 8.808 18.434) 24.425 1.888 ( -2.484 5.837 -0.552) 6.368 2.136 ( 8.564 -1.564 -0.309) 8.711 2.198 ( -1.162 1.843 2.132) 3.048 2.263 ( -4.542 4.495 -0.470) 6.407 2.371 ( 5.206 1.565 -7.538) 9.294 2.445 ( -1.906 -2.595 12.638) 13.041 2.487 ( 8.192 -0.819 5.280) 9.781 2.532 ( -1.310 3.296 -6.527) 7.428 2.696 ( 4.158 1.210 -6.341) 7.678 2.734 ( 6.122 -4.821 1.929) 8.028 2.774 ( -3.065 -1.255 4.433) 5.534 2.828 ( 6.226 2.934 2.836) 7.445 2.912 ( 3.628 -2.948 2.006) 5.086 2.973 ( -2.701 -3.335 6.394) 7.701 3.077 ( 2.815 -1.050 2.793) 4.103 3.122 ( -5.758 0.608 3.738) 6.892 3.181 ( 7.426 -2.420 -5.502) 9.554 3.225 ( 4.723 -1.280 1.515) 5.122 3.293 ( -0.344 -4.239 2.238) 4.805 3.363 ( -1.135 -2.012 -1.420) 2.712 3.453 ( -0.632 0.031 1.341) 1.483 3.471 ( -1.460 -3.460 -5.264) 6.467 3.498 ( -2.678 2.264 1.325) 3.749 3.572 ( 1.427 -2.980 4.910) 5.918 3.581 ( 0.736 0.669 0.260) 1.027 3.665 ( -3.403 3.676 -4.359) 6.640 3.710 ( 1.441 0.543 -7.467) 7.624 3.749 ( -0.430 0.548 -1.657) 1.798 3.765 ( -0.367 -0.459 -4.549) 4.587 3.877 ( 1.799 5.376 1.075) 5.770 3.886 ( 0.085 -2.340 -0.788) 2.471 3.939 ( 0.233 -7.566 2.969) 8.131 3.961 ( -3.948 -2.084 -0.500) 4.493 4.044 ( 0.703 -1.168 3.070) 3.359 4.068 ( -4.908 0.144 -3.687) 6.140 4.144 ( 2.662 -0.491 -2.868) 3.944 4.169 ( 4.843 -2.909 5.323) 7.762 4.223 ( 2.364 0.917 -0.481) 2.581 4.293 ( -0.605 0.720 -1.185) 1.513 4.317 ( 0.831 0.804 -1.578) 1.956 4.374 ( 0.317 1.362 5.590) 5.762 4.421 ( -4.785 -3.460 8.031) 9.969 4.433 ( 0.886 -0.202 2.380) 2.548 4.497 ( 3.404 -0.017 -0.668) 3.469 4.540 ( -6.658 0.332 -3.183) 7.387 4.595 ( -13.148 1.168 2.113) 13.368 4.632 ( -0.443 -0.971 1.363) 1.731 4.665 ( -1.988 -6.479 1.649) 6.975 4.753 ( 1.082 2.388 -2.863) 3.882 4.796 ( 0.177 1.049 -2.307) 2.541 4.812 ( -6.852 4.676 1.569) 8.442 4.888 ( -5.578 0.898 -0.818) 5.709 4.916 ( 3.269 -1.014 -4.428) 5.597 4.940 ( -3.242 0.086 -0.359) 3.263 5.027 ( 0.878 -0.397 -1.778) 2.022 5.091 ( -1.656 4.949 -1.252) 5.367 5.168 ( -5.578 2.518 2.153) 6.487 5.229 ( 0.779 3.165 2.017) 3.834 5.267 ( -5.020 -1.979 1.703) 5.658 5.309 ( -1.082 1.465 -3.198) 3.680 5.350 ( -0.181 0.619 0.113) 0.655 5.405 ( -1.001 0.074 -1.434) 1.750 5.445 ( -3.017 -2.276 0.752) 3.853 5.477 ( -0.695 3.822 -1.311) 4.100 5.497 ( 1.267 0.824 3.693) 3.990 5.543 ( -1.887 0.495 -2.827) 3.435 5.594 ( -4.852 2.059 -2.215) 5.717 5.617 ( -2.378 -4.343 0.471) 4.974 5.644 ( 2.269 -2.007 1.174) 3.249 5.733 ( 2.675 4.986 -2.546) 6.205 5.751 ( 1.400 2.235 -5.341) 5.957 5.770 ( 3.459 2.531 1.429) 4.518 5.886 ( 0.441 0.139 -2.120) 2.170 5.930 ( 2.593 -3.367 -2.031) 4.710 5.977 ( 2.603 0.600 0.707) 2.764 5.999 ( 1.909 -3.974 -0.063) 4.409 6.034 ( 0.104 2.332 -0.275) 2.350 6.087 ( -5.663 -3.485 -0.446) 6.665 6.132 ( -2.874 -2.214 -2.165) 4.225 6.164 ( -1.990 -3.319 -3.895) 5.491 6.190 ( -2.083 0.581 1.320) 2.534 6.240 ( -6.035 -2.498 -0.910) 6.594 6.330 ( 2.055 1.912 -2.011) 3.453 6.345 ( -0.306 -3.596 -0.865) 3.711 6.426 ( -0.913 -0.151 1.035) 1.388 6.480 ( 1.053 0.966 1.256) 1.903 6.503 ( 0.811 4.811 0.538) 4.909 6.610 ( 0.784 3.314 -3.046) 4.569 6.625 ( -0.316 1.272 -2.431) 2.762 6.671 ( -1.345 -4.428 -4.777) 6.651 6.694 ( -7.134 4.011 -1.162) 8.267 6.731 ( 0.638 0.118 0.723) 0.972 6.809 ( -4.298 -1.095 1.296) 4.621 6.850 ( 2.065 -1.556 -4.994) 5.624 6.929 ( 0.237 -2.454 0.185) 2.473 6.955 ( 1.076 -1.165 -1.390) 2.109 7.021 ( 1.802 -1.361 -3.592) 4.243 7.068 ( 2.215 -3.906 -3.710) 5.824 7.089 ( 1.028 -0.837 -4.389) 4.585 7.116 ( -1.606 1.191 -1.159) 2.311 7.137 ( 8.581 1.853 1.249) 8.868 7.176 ( 0.831 1.605 0.725) 1.948 7.204 ( 1.715 -2.307 -6.353) 6.973 7.302 ( 6.298 1.869 -2.264) 6.948 7.310 ( -2.950 -3.075 -4.294) 6.049 7.406 ( 2.786 5.070 0.953) 5.863 7.447 ( 0.650 1.492 -0.088) 1.630 7.494 ( 0.960 2.550 -1.216) 2.984 7.555 ( 0.312 -3.988 -0.015) 4.001 7.581 ( -0.202 3.866 -1.506) 4.154 7.668 ( -3.894 4.269 3.208) 6.609 7.706 ( 2.449 3.190 6.325) 7.496 7.756 ( -3.265 -0.209 7.110) 7.826 7.824 ( 1.996 -0.526 2.377) 3.148 7.848 ( -3.026 -1.565 1.143) 3.593 7.868 ( -3.425 -2.976 0.539) 4.569 7.913 ( -1.674 0.370 3.184) 3.616 8.002 ( -4.561 2.212 4.513) 6.787 8.042 ( -2.825 1.772 4.672) 5.740 8.080 ( 1.834 0.016 1.582) 2.422 8.138 ( -1.419 2.227 1.166) 2.886 8.207 ( 1.046 -3.608 4.465) 5.835 8.288 ( 1.933 -0.406 1.706) 2.610 8.330 ( 4.555 -2.396 3.342) 6.137 8.360 ( 0.343 0.646 4.066) 4.131 8.405 ( -1.365 -2.826 2.612) 4.083 8.553 ( -3.487 0.293 -0.576) 3.546 8.561 ( -2.075 -2.932 -0.741) 3.668 8.618 ( -4.265 -1.135 -2.065) 4.873 8.662 ( 0.579 3.674 0.800) 3.804 8.741 ( 2.269 -1.492 7.745) 8.207 8.811 ( 3.698 1.892 0.159) 4.157 8.900 ( 1.758 1.967 -0.566) 2.698 9.006 ( 4.080 2.467 0.391) 4.784 9.013 ( 7.828 -2.163 0.725) 8.153 9.062 ( 0.614 2.623 1.126) 2.920 9.126 ( -2.979 4.478 -2.303) 5.851 9.260 ( 3.731 0.375 0.508) 3.784 9.290 ( 8.445 -1.488 -1.921) 8.787 9.365 ( 0.088 -1.351 3.075) 3.360 9.426 ( 0.322 -4.117 -2.113) 4.639 9.484 ( 2.155 -1.417 -0.880) 2.725 9.510 ( 0.670 0.012 1.127) 1.312 9.631 ( 2.460 -2.264 -0.061) 3.344 9.653 ( 3.116 1.420 3.559) 4.939 9.675 ( -6.193 -3.175 1.033) 7.036 9.765 ( 3.330 0.230 -1.653) 3.725 9.866 ( 0.657 -0.366 0.447) 0.875 9.965 ( 1.348 -2.516 -1.814) 3.382 10.010 ( -0.479 -0.162 -0.694) 0.859 10.026 ( 0.199 -2.730 -2.218) 3.523 10.096 ( -1.686 -0.850 -3.515) 3.990 10.229 ( -0.588 -0.428 -1.682) 1.832 10.244 ( -3.882 -1.807 -4.228) 6.017 10.607 ( 0.992 2.048 7.129) 7.484 10.662 ( 0.527 0.739 -3.243) 3.367 10.714 ( -2.052 -1.100 -0.491) 2.379 10.835 ( -5.729 -1.970 -0.728) 6.102 11.069 ( -2.036 2.496 -0.017) 3.221 11.176 ( 3.875 5.894 4.264) 8.242 11.295 ( -5.798 2.432 -0.185) 6.290 11.430 ( 5.432 1.820 0.530) 5.754 11.447 ( 1.692 0.737 -0.416) 1.891 11.540 ( 2.611 -2.286 2.018) 4.014 11.586 ( 6.199 -1.010 2.770) 6.864 11.711 ( -0.836 4.637 0.252) 4.718 11.841 ( 2.087 -4.883 -4.732) 7.113 12.040 ( -4.170 -3.455 4.399) 6.977 12.096 ( -0.358 -4.284 -3.718) 5.684 12.151 ( -7.268 -2.823 -4.793) 9.152 12.995 ( -1.088 7.109 2.788) 7.714 13.287 ( -1.443 12.888 -4.125) 13.609 13.422 ( -1.504 -3.907 2.689) 4.975 13.760 ( 0.260 -2.429 -4.444) 5.071 15.178 ( 2.481 0.960 0.685) 2.747 15.419 ( 5.997 -5.506 -5.636) 9.902 15.696 ( 3.666 2.010 -3.426) 5.405 15.750 ( 2.434 2.286 -2.690) 4.288 16.220 ( -0.399 0.347 -1.193) 1.305 16.247 ( 1.320 -0.714 0.159) 1.509 16.357 ( -1.934 3.438 2.957) 4.930 16.639 ( -7.678 -3.062 -0.808) 8.306 16.917 ( 1.807 0.642 -1.505) 2.437 17.030 ( -4.137 -1.658 0.691) 4.510 17.216 ( -0.889 0.418 4.637) 4.739 17.325 ( -2.119 2.456 5.210) 6.137 17.418 ( 4.363 -4.616 -1.231) 6.470 17.526 ( 3.544 -0.284 2.431) 4.307 17.835 ( -0.952 -2.142 1.673) 2.880 18.009 ( -0.233 -4.971 -1.683) 5.253 18.219 ( 3.164 2.713 -1.696) 4.500 18.321 ( 6.476 -1.655 1.240) 6.798 18.405 ( 0.343 1.204 2.994) 3.245 18.554 ( -1.064 -3.416 1.363) 3.829 18.670 ( -1.914 3.216 2.220) 4.351 18.758 ( -1.563 0.851 0.047) 1.780 18.812 ( -5.913 2.533 -0.885) 6.493 18.924 ( -6.400 -0.944 -4.425) 7.838 19.427 ( 0.165 -0.420 -0.483) 0.661 19.440 ( 0.104 -0.526 0.231) 0.584 19.467 ( 0.079 0.821 -0.811) 1.156 19.504 ( -0.108 1.222 -0.185) 1.241 ======================= Grid point 44 (22/48) ======================= q-point: (-0.50 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( -15.956 5.915 3.364) 17.346 1.818 ( -15.130 13.926 2.607) 20.728 1.940 ( -0.277 1.328 3.989) 4.213 2.108 ( 6.291 5.821 10.167) 13.297 2.217 ( -1.532 7.249 4.725) 8.788 2.336 ( 5.366 0.573 9.442) 10.876 2.391 ( 0.472 1.105 -9.258) 9.335 2.440 ( 0.926 1.593 2.744) 3.305 2.571 ( 5.714 0.821 4.156) 7.113 2.634 ( 0.673 -2.980 -7.160) 7.785 2.683 ( 3.536 -1.394 0.888) 3.904 2.732 ( -3.948 -6.620 -3.365) 8.410 2.825 ( 2.590 -3.370 -2.511) 4.937 2.852 ( -0.867 0.802 -2.195) 2.492 2.935 ( -3.061 0.270 8.299) 8.850 3.052 ( -1.859 -0.386 5.148) 5.487 3.088 ( -3.189 0.834 5.595) 6.494 3.153 ( 8.348 -3.500 0.212) 9.054 3.243 ( -4.615 -4.890 3.109) 7.408 3.256 ( -1.339 1.735 -2.605) 3.404 3.300 ( 6.128 -5.295 -2.871) 8.593 3.378 ( 0.354 -2.627 -1.782) 3.194 3.404 ( -2.623 0.150 -8.190) 8.602 3.472 ( -3.037 2.585 1.081) 4.132 3.488 ( -4.482 0.464 2.431) 5.120 3.525 ( 1.590 -0.463 0.251) 1.675 3.581 ( -0.541 1.465 -1.888) 2.450 3.659 ( 1.140 -0.416 1.781) 2.155 3.670 ( -3.171 0.376 -3.767) 4.939 3.745 ( 0.086 -0.429 -1.360) 1.429 3.758 ( 0.861 -0.115 -3.919) 4.014 3.814 ( -0.576 0.178 -3.047) 3.106 3.903 ( 0.242 -0.556 2.399) 2.474 3.930 ( -0.724 -1.934 3.665) 4.207 3.962 ( 0.579 -0.510 1.314) 1.524 4.005 ( 0.995 0.476 0.102) 1.108 4.063 ( -1.216 -3.560 -1.386) 4.009 4.143 ( 0.928 -2.541 -0.101) 2.707 4.199 ( -4.292 -1.204 4.638) 6.433 4.252 ( -2.702 2.652 2.620) 4.605 4.268 ( -1.942 -1.963 1.610) 3.196 4.314 ( -1.619 0.169 5.326) 5.569 4.367 ( -1.039 0.285 -0.585) 1.226 4.425 ( -1.904 -1.602 1.176) 2.752 4.442 ( -4.339 3.412 0.782) 5.575 4.463 ( 2.873 -0.291 0.177) 2.893 4.501 ( 4.775 -2.424 2.454) 5.891 4.524 ( 2.489 3.563 1.078) 4.478 4.647 ( 1.375 -2.949 3.942) 5.112 4.664 ( 1.142 -2.281 -0.315) 2.571 4.746 ( 0.659 -0.981 -3.861) 4.037 4.760 ( 1.978 -4.795 0.354) 5.199 4.815 ( 4.524 5.458 0.748) 7.128 4.899 ( 1.859 3.513 2.762) 4.840 4.922 ( -1.204 0.862 0.053) 1.482 4.951 ( 4.170 -0.607 4.093) 5.874 5.032 ( -3.771 -1.383 0.504) 4.048 5.085 ( 3.566 3.596 1.323) 5.234 5.092 ( 5.260 0.843 -3.675) 6.471 5.239 ( -0.082 0.360 -0.969) 1.038 5.253 ( -3.104 -0.253 -0.430) 3.144 5.268 ( 0.371 0.291 -0.372) 0.600 5.350 ( 1.517 0.943 -1.926) 2.627 5.403 ( -0.282 4.005 1.621) 4.330 5.414 ( -1.912 0.108 1.687) 2.552 5.465 ( 0.851 2.525 -2.023) 3.345 5.478 ( 0.380 1.116 -1.753) 2.113 5.540 ( 0.481 0.334 -2.939) 2.996 5.562 ( 1.004 -1.046 -0.011) 1.449 5.602 ( 0.581 -3.285 2.226) 4.010 5.682 ( -0.456 0.178 3.229) 3.266 5.713 ( -0.363 -2.428 -6.080) 6.557 5.771 ( -2.012 3.276 2.605) 4.644 5.783 ( 0.457 2.336 -4.578) 5.160 5.871 ( -0.691 0.867 -1.970) 2.261 5.942 ( 2.440 1.104 -2.090) 3.398 5.983 ( -0.881 -3.512 -0.357) 3.639 5.994 ( -1.966 2.208 -4.792) 5.631 6.020 ( -4.539 0.742 -3.652) 5.873 6.051 ( 2.897 -3.780 1.958) 5.149 6.120 ( 3.146 -1.846 -0.275) 3.658 6.153 ( 2.509 0.104 -3.594) 4.384 6.154 ( 3.642 -0.994 -4.005) 5.504 6.196 ( 1.413 4.305 -1.817) 4.881 6.300 ( 0.269 1.728 -3.963) 4.332 6.377 ( -5.260 3.782 3.979) 7.603 6.399 ( 1.174 -3.320 3.681) 5.094 6.511 ( 1.412 -0.860 -0.577) 1.751 6.525 ( -0.708 5.237 -6.142) 8.103 6.565 ( 0.423 0.557 2.107) 2.219 6.579 ( -2.787 -1.543 -1.886) 3.702 6.636 ( 1.902 3.275 -2.153) 4.356 6.681 ( 0.417 0.362 -0.978) 1.123 6.709 ( 0.346 -0.313 -2.657) 2.698 6.750 ( 0.383 -2.355 -0.681) 2.481 6.841 ( -1.828 -0.229 -2.285) 2.935 6.882 ( -1.431 -2.924 -7.416) 8.099 6.938 ( -2.480 2.397 -3.816) 5.144 6.979 ( -1.560 -5.000 -5.446) 7.556 7.022 ( -1.423 -1.355 -3.589) 4.092 7.105 ( 1.634 -5.008 -0.786) 5.326 7.136 ( -2.117 2.441 0.354) 3.250 7.167 ( 2.698 -4.326 -1.387) 5.284 7.225 ( 0.489 -2.108 -3.810) 4.381 7.248 ( 5.072 1.916 -7.164) 8.984 7.355 ( 3.481 0.672 1.738) 3.949 7.395 ( 1.316 -1.864 -4.719) 5.242 7.412 ( -3.169 3.795 0.182) 4.948 7.458 ( 4.273 1.084 -4.110) 6.027 7.512 ( 4.078 4.466 -2.883) 6.700 7.567 ( 0.877 1.651 0.415) 1.915 7.611 ( 0.199 -1.502 2.811) 3.193 7.638 ( 0.861 -0.673 5.286) 5.398 7.687 ( -5.821 -3.514 1.530) 6.969 7.725 ( -4.089 -0.923 5.921) 7.255 7.796 ( -0.115 2.058 3.954) 4.459 7.828 ( -0.903 -4.802 7.701) 9.120 7.894 ( 4.039 3.051 2.617) 5.699 7.911 ( -1.738 1.172 3.478) 4.061 7.977 ( -3.216 3.442 3.333) 5.771 8.033 ( -2.325 0.514 4.625) 5.202 8.092 ( -1.732 3.776 -0.084) 4.155 8.106 ( -1.619 1.247 2.369) 3.128 8.189 ( -3.924 -2.463 -0.156) 4.635 8.299 ( -2.992 -3.158 1.252) 4.527 8.355 ( -2.170 -1.436 10.841) 11.149 8.376 ( -3.405 -0.988 -1.631) 3.903 8.405 ( -1.026 -0.161 -2.378) 2.595 8.518 ( -0.784 0.391 -2.358) 2.515 8.562 ( 4.102 0.978 6.783) 7.987 8.585 ( 1.454 -2.064 2.328) 3.434 8.682 ( 2.457 5.845 2.716) 6.897 8.790 ( 0.177 -2.391 3.968) 4.637 8.906 ( -2.089 0.748 -0.978) 2.425 8.941 ( 2.848 3.442 4.498) 6.340 9.016 ( -2.117 1.950 -0.237) 2.888 9.051 ( 1.391 3.559 1.338) 4.049 9.089 ( 1.520 2.759 1.472) 3.477 9.175 ( 4.812 -1.202 2.018) 5.355 9.294 ( 0.393 -0.039 1.167) 1.231 9.353 ( -1.911 -3.184 0.513) 3.749 9.421 ( 3.866 -2.775 -1.726) 5.062 9.432 ( 1.641 -3.159 -0.760) 3.640 9.451 ( -4.314 0.496 -0.547) 4.377 9.512 ( -5.062 -2.287 0.364) 5.567 9.599 ( 2.475 -3.997 0.147) 4.704 9.638 ( 2.277 -2.328 -0.957) 3.395 9.696 ( -5.701 -1.051 -2.388) 6.269 9.794 ( -2.792 -0.757 -3.913) 4.866 9.850 ( -2.536 -0.086 -2.659) 3.675 9.988 ( 1.577 -2.106 0.718) 2.727 10.005 ( 9.274 0.700 1.634) 9.443 10.068 ( 1.895 -5.594 0.104) 5.907 10.148 ( 2.605 -1.567 0.028) 3.041 10.206 ( 4.420 3.085 2.275) 5.851 10.298 ( 4.800 -1.681 3.389) 6.112 10.569 ( -6.557 2.778 1.877) 7.364 10.639 ( -2.148 0.593 -4.820) 5.310 10.684 ( -0.373 -2.393 -1.450) 2.823 10.745 ( 0.468 -0.696 -1.424) 1.653 11.058 ( -0.022 4.873 1.470) 5.090 11.120 ( -8.303 6.368 -2.823) 10.837 11.297 ( 2.862 2.374 4.076) 5.517 11.456 ( -0.197 3.220 -0.126) 3.228 11.528 ( 3.279 -0.260 -0.244) 3.299 11.562 ( -1.188 -0.065 1.917) 2.256 11.675 ( -2.054 -2.974 3.455) 5.000 11.693 ( -0.679 2.650 -1.045) 2.929 11.826 ( 0.544 -3.927 -5.621) 6.878 11.977 ( -3.463 -2.056 1.375) 4.255 12.046 ( -1.100 -2.668 -3.778) 4.754 12.108 ( 5.166 -4.621 -1.588) 7.110 12.989 ( -1.179 6.997 2.548) 7.539 13.259 ( 1.106 11.684 -3.523) 12.254 13.412 ( -0.948 -3.925 2.458) 4.727 13.743 ( 1.054 -2.860 -4.798) 5.685 15.219 ( 0.501 0.822 2.080) 2.292 15.486 ( 3.726 -7.839 -3.332) 9.297 15.727 ( 1.621 2.762 -3.665) 4.867 15.759 ( 0.813 2.825 -4.820) 5.645 16.236 ( 2.359 0.421 1.013) 2.602 16.271 ( 0.864 -1.280 0.967) 1.822 16.351 ( -0.086 2.807 -0.007) 2.808 16.462 ( -8.779 0.020 -1.146) 8.853 16.951 ( 2.179 -0.020 -1.620) 2.715 16.976 ( -1.454 0.001 -1.643) 2.194 17.205 ( -3.509 1.779 5.710) 6.934 17.333 ( -0.069 1.318 4.457) 4.648 17.453 ( 0.936 -3.483 -0.530) 3.645 17.630 ( 3.500 -4.062 4.881) 7.251 17.811 ( -1.976 -1.974 0.984) 2.961 17.994 ( -0.360 -6.096 -1.997) 6.424 18.275 ( 2.924 4.694 0.229) 5.535 18.427 ( 0.124 0.818 5.080) 5.147 18.439 ( 0.588 -0.073 1.879) 1.970 18.518 ( -1.306 -2.492 0.982) 2.980 18.610 ( -2.888 3.395 0.045) 4.457 18.720 ( -2.036 1.911 -3.363) 4.371 18.780 ( -3.798 -0.292 -3.163) 4.951 18.819 ( 5.752 -0.721 -2.147) 6.182 19.427 ( 0.055 -0.494 -0.247) 0.555 19.444 ( 0.062 -1.196 0.546) 1.316 19.465 ( 0.404 1.112 -1.072) 1.597 19.498 ( -0.218 1.129 -0.619) 1.306 ======================= Grid point 45 (23/48) ======================= q-point: (-0.33 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( -21.887 10.048 11.297) 26.602 1.418 ( -23.834 19.190 3.308) 30.777 1.862 ( -6.122 -2.672 2.158) 7.020 2.086 ( -9.840 -1.627 1.230) 10.049 2.177 ( -21.449 2.838 0.144) 21.636 2.252 ( -22.406 10.306 0.909) 24.679 2.366 ( -2.828 -3.435 6.805) 8.131 2.486 ( 1.728 1.663 1.132) 2.652 2.559 ( 3.086 3.485 2.570) 5.318 2.603 ( 0.278 -0.283 -0.713) 0.816 2.639 ( -4.956 -4.138 0.917) 6.521 2.679 ( -6.824 -0.268 8.115) 10.606 2.836 ( 4.096 -2.394 2.494) 5.360 2.915 ( 5.810 2.507 -8.805) 10.843 2.976 ( 1.904 0.018 9.930) 10.111 3.052 ( 1.654 -1.361 3.128) 3.792 3.124 ( 0.748 4.781 5.217) 7.116 3.146 ( 1.507 -2.768 0.183) 3.157 3.195 ( 1.094 -4.339 0.939) 4.572 3.282 ( -2.057 -1.902 -3.080) 4.163 3.344 ( -0.282 -0.379 -3.668) 3.698 3.359 ( -0.000 -1.335 -4.313) 4.515 3.394 ( 5.489 -4.975 -2.505) 7.820 3.435 ( 5.224 0.890 -5.150) 7.390 3.491 ( -1.438 1.344 0.754) 2.108 3.526 ( 0.632 0.189 1.525) 1.662 3.537 ( -1.869 -0.096 -0.365) 1.907 3.641 ( 1.258 -0.195 -2.677) 2.964 3.672 ( -3.481 2.067 0.513) 4.081 3.731 ( 2.484 2.090 2.948) 4.385 3.766 ( 5.190 -3.424 -5.254) 8.141 3.813 ( -3.813 -1.460 0.166) 4.086 3.894 ( -1.434 -6.487 -1.362) 6.782 3.956 ( 7.284 -1.287 -3.405) 8.143 4.006 ( 2.624 -2.667 -3.201) 4.924 4.062 ( 1.749 -1.850 2.576) 3.622 4.074 ( 1.823 -2.602 -2.114) 3.817 4.110 ( -3.264 -2.172 2.838) 4.840 4.179 ( 0.988 -1.245 3.452) 3.800 4.222 ( 0.425 2.255 3.600) 4.269 4.282 ( -1.172 -2.403 6.225) 6.775 4.320 ( 1.387 1.276 1.792) 2.601 4.342 ( -0.734 0.193 2.516) 2.628 4.411 ( -2.562 0.126 0.772) 2.679 4.426 ( 0.436 0.949 1.132) 1.540 4.499 ( 0.296 -2.128 0.901) 2.330 4.567 ( 0.149 2.539 2.097) 3.297 4.583 ( 1.681 -0.908 3.297) 3.811 4.670 ( 0.242 3.432 -4.615) 5.756 4.689 ( 2.345 -1.889 0.705) 3.093 4.752 ( 2.474 2.163 -2.312) 4.018 4.822 ( 0.558 -1.668 0.112) 1.763 4.858 ( 2.490 -0.160 1.057) 2.710 4.953 ( 2.426 -3.644 1.737) 4.710 4.979 ( -1.041 -1.600 1.532) 2.447 5.051 ( -2.640 1.772 -0.972) 3.325 5.077 ( 4.913 4.429 0.016) 6.614 5.105 ( 4.116 -0.778 0.868) 4.278 5.178 ( 4.725 5.614 3.747) 8.239 5.221 ( -1.424 1.463 -4.783) 5.201 5.277 ( 4.922 -2.796 -0.896) 5.731 5.318 ( 0.702 3.058 -2.458) 3.985 5.362 ( -2.023 1.468 1.654) 2.997 5.368 ( 5.193 -1.150 6.277) 8.228 5.412 ( -0.301 -0.160 -5.228) 5.239 5.462 ( 0.523 0.179 -2.127) 2.198 5.525 ( 2.661 0.901 -2.641) 3.856 5.542 ( 1.395 -0.400 0.449) 1.519 5.565 ( 5.454 6.292 -0.557) 8.346 5.627 ( -1.408 -0.356 2.437) 2.837 5.700 ( 3.213 -0.805 -0.552) 3.358 5.714 ( 0.281 -0.184 -2.240) 2.265 5.754 ( -0.281 2.282 1.413) 2.699 5.784 ( 4.129 -1.806 -1.778) 4.844 5.875 ( -1.697 4.594 -4.290) 6.511 5.895 ( -2.104 0.204 -1.143) 2.403 5.942 ( -1.185 2.659 -6.240) 6.886 5.980 ( 5.050 0.394 1.928) 5.420 6.010 ( 2.940 -2.979 -6.519) 7.747 6.054 ( -4.535 -3.309 0.958) 5.695 6.132 ( 0.615 -2.022 -0.652) 2.212 6.184 ( -0.296 4.960 -0.643) 5.010 6.205 ( 4.124 -1.777 -4.131) 6.101 6.283 ( 2.836 -0.853 0.190) 2.968 6.329 ( 2.578 1.022 -2.389) 3.660 6.352 ( 2.468 0.272 3.624) 4.393 6.394 ( -0.008 2.286 2.708) 3.544 6.468 ( 3.111 1.393 2.825) 4.427 6.508 ( 0.799 4.070 -5.379) 6.793 6.564 ( -0.453 -1.330 1.953) 2.406 6.614 ( -0.473 -0.847 -7.771) 7.831 6.646 ( 0.166 2.389 3.271) 4.053 6.678 ( -1.350 -0.561 -2.717) 3.085 6.733 ( 2.139 -2.634 0.921) 3.515 6.772 ( 2.575 -2.809 -4.241) 5.701 6.800 ( 2.120 -2.745 -4.018) 5.308 6.817 ( 0.991 -0.097 -3.196) 3.348 6.871 ( 1.118 1.252 -5.355) 5.612 6.935 ( -0.549 -0.316 -3.604) 3.660 7.020 ( 2.909 -0.472 -4.383) 5.282 7.049 ( -4.648 -0.042 -0.853) 4.726 7.112 ( -0.939 -4.013 0.820) 4.203 7.162 ( 1.167 -4.086 -3.658) 5.607 7.266 ( -0.928 -2.624 -4.318) 5.137 7.270 ( 2.605 -0.084 -2.561) 3.654 7.320 ( 1.127 1.836 -1.420) 2.581 7.385 ( 0.027 -3.197 -1.603) 3.576 7.446 ( -4.817 -2.356 -0.292) 5.370 7.478 ( 0.297 2.004 5.827) 6.169 7.501 ( 0.361 1.211 -2.075) 2.430 7.526 ( -1.340 2.860 1.768) 3.620 7.629 ( 1.343 -2.336 3.331) 4.285 7.682 ( 2.426 -4.602 3.264) 6.141 7.721 ( 0.767 -1.325 4.883) 5.118 7.780 ( -4.138 4.072 0.399) 5.819 7.806 ( 1.471 1.940 3.305) 4.104 7.840 ( -0.601 2.702 4.618) 5.384 7.888 ( -3.762 3.439 4.019) 6.491 7.920 ( -0.516 5.220 5.594) 7.668 7.923 ( -4.922 0.856 -0.586) 5.030 8.021 ( -0.868 -0.529 2.496) 2.696 8.030 ( 1.471 -1.242 -0.276) 1.945 8.112 ( -1.984 2.972 -0.505) 3.609 8.179 ( 2.504 4.304 2.221) 5.452 8.247 ( -3.707 -6.602 7.209) 10.454 8.265 ( -3.448 -0.477 -1.293) 3.713 8.349 ( -2.508 -0.112 2.878) 3.819 8.406 ( 0.805 -2.196 1.059) 2.568 8.492 ( -1.862 -1.143 0.209) 2.195 8.590 ( -0.157 2.410 0.391) 2.447 8.664 ( -0.044 -0.709 2.793) 2.882 8.766 ( -3.214 0.505 -0.339) 3.271 8.803 ( -0.932 -3.646 -1.793) 4.169 8.833 ( -0.195 0.118 6.963) 6.967 8.949 ( -0.465 2.616 0.091) 2.659 8.989 ( -0.333 7.441 0.587) 7.472 9.097 ( -1.142 1.103 2.047) 2.590 9.156 ( -6.527 -3.292 1.171) 7.404 9.167 ( 2.500 -0.383 3.126) 4.021 9.278 ( -5.677 0.741 -4.789) 7.464 9.308 ( -2.658 -0.738 2.391) 3.651 9.370 ( -2.977 -2.094 2.970) 4.698 9.410 ( -0.734 -1.490 1.834) 2.474 9.445 ( -3.709 0.404 1.049) 3.876 9.479 ( 2.944 -3.191 -1.395) 4.560 9.577 ( 2.403 -1.246 0.498) 2.752 9.622 ( 0.756 -2.463 -3.990) 4.749 9.724 ( 0.010 -2.872 2.077) 3.544 9.753 ( 1.351 -2.188 1.334) 2.897 9.820 ( 2.038 -1.124 -1.878) 2.991 10.011 ( 0.166 -1.739 -0.332) 1.778 10.069 ( -1.145 -3.812 -2.689) 4.803 10.080 ( -1.948 -1.216 1.979) 3.031 10.160 ( -1.209 -0.562 -0.463) 1.412 10.313 ( 4.214 0.396 -3.838) 5.713 10.443 ( -4.401 2.173 -0.243) 4.914 10.462 ( 6.350 -0.858 1.654) 6.618 10.641 ( 5.526 0.711 2.206) 5.992 10.672 ( 0.670 -1.800 -3.211) 3.742 10.826 ( 6.803 -1.946 0.856) 7.128 10.939 ( -8.507 4.751 -1.274) 9.827 11.062 ( -1.157 3.578 1.053) 3.906 11.307 ( -3.024 -0.562 0.320) 3.092 11.440 ( -2.825 2.584 -1.548) 4.130 11.510 ( -5.938 0.850 1.617) 6.213 11.541 ( -0.786 -0.998 2.314) 2.639 11.597 ( -5.919 -4.347 0.896) 7.398 11.684 ( 2.070 4.181 -0.337) 4.677 11.802 ( -0.968 -3.387 -5.048) 6.155 11.935 ( -0.326 -1.768 -0.273) 1.818 12.016 ( 0.944 3.075 -5.475) 6.350 12.282 ( 10.826 -3.666 0.458) 11.439 12.984 ( -0.986 7.169 2.549) 7.673 13.286 ( 3.930 12.087 -3.979) 13.318 13.420 ( 0.320 -3.551 2.293) 4.239 13.747 ( 2.433 -2.611 -4.730) 5.925 15.212 ( -2.642 0.414 2.044) 3.366 15.516 ( 1.442 -8.023 -4.230) 9.184 15.699 ( -1.992 2.533 -6.797) 7.522 15.726 ( -0.448 2.663 -6.042) 6.618 16.248 ( -4.158 -0.296 -1.606) 4.467 16.283 ( 0.049 -0.608 0.069) 0.614 16.369 ( 2.807 2.005 1.760) 3.873 16.374 ( 1.010 2.089 3.726) 4.389 16.931 ( -1.174 1.234 -1.975) 2.608 16.988 ( 1.364 -0.166 -0.334) 1.414 17.159 ( -4.354 2.706 4.860) 7.064 17.366 ( 0.356 0.164 3.966) 3.985 17.462 ( 0.750 -3.530 -0.669) 3.670 17.689 ( 0.325 -4.416 0.221) 4.434 17.798 ( -1.355 -7.287 6.951) 10.162 17.960 ( -2.109 -5.800 -1.290) 6.305 18.288 ( -3.290 1.929 -0.213) 3.820 18.402 ( -0.927 4.013 1.080) 4.258 18.458 ( -3.021 -0.208 0.146) 3.031 18.471 ( -2.220 -1.211 6.342) 6.828 18.613 ( -0.087 1.845 -0.123) 1.851 18.727 ( 4.640 1.862 -1.558) 5.237 18.732 ( 4.170 5.333 -1.995) 7.058 18.974 ( 10.149 -1.027 -2.820) 10.584 19.424 ( -0.117 -0.020 -0.415) 0.432 19.450 ( -0.003 -0.791 0.463) 0.917 19.466 ( 0.292 0.371 -0.971) 1.080 19.491 ( 0.048 0.557 -0.490) 0.743 ======================= Grid point 46 (24/48) ======================= q-point: (-0.17 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( -23.616 13.784 12.849) 30.213 1.017 ( -16.797 22.907 15.922) 32.564 1.526 ( -31.863 24.375 19.995) 44.824 1.795 ( -2.950 -3.139 6.181) 7.534 1.931 ( -6.694 -8.390 3.151) 11.186 2.025 ( -7.672 1.757 -2.399) 8.228 2.209 ( -13.951 -8.663 10.661) 19.579 2.419 ( -5.646 1.950 -3.463) 6.904 2.535 ( -4.936 1.878 2.942) 6.046 2.586 ( 0.709 -0.662 1.625) 1.892 2.632 ( 1.976 0.700 -0.805) 2.246 2.738 ( 0.917 2.215 5.763) 6.242 2.912 ( 1.165 -4.725 -3.348) 5.907 2.925 ( -0.936 1.025 6.590) 6.735 3.038 ( -0.125 0.801 -2.082) 2.234 3.076 ( 0.207 3.480 3.886) 5.220 3.151 ( -0.501 -1.694 -1.995) 2.665 3.192 ( 3.301 1.987 -7.137) 8.111 3.217 ( -1.095 2.291 -2.075) 3.279 3.283 ( -0.692 -2.408 0.078) 2.507 3.326 ( 0.564 -7.335 1.709) 7.552 3.361 ( -3.355 -0.643 3.120) 4.627 3.388 ( 2.525 2.897 -1.967) 4.317 3.477 ( 2.456 -2.318 -2.415) 4.152 3.486 ( 3.383 1.029 -1.753) 3.946 3.536 ( 4.394 -5.063 -3.784) 7.698 3.588 ( 1.154 0.940 -0.080) 1.491 3.644 ( 0.023 1.446 -4.788) 5.002 3.686 ( 1.803 1.211 5.934) 6.319 3.767 ( 2.494 -5.272 -1.069) 5.930 3.809 ( 4.501 1.473 0.336) 4.748 3.848 ( 1.699 -5.292 0.357) 5.569 3.909 ( 3.192 -2.090 -2.186) 4.397 4.002 ( -1.259 -0.764 -4.093) 4.350 4.049 ( 1.613 1.264 -1.366) 2.462 4.064 ( 2.773 -1.792 -0.159) 3.305 4.104 ( 2.962 0.039 -0.651) 3.033 4.160 ( 3.741 -2.859 -2.059) 5.139 4.200 ( -0.530 -3.374 1.601) 3.772 4.274 ( -3.892 -0.401 -0.217) 3.919 4.276 ( 1.583 0.176 4.117) 4.414 4.332 ( 0.705 -0.965 -2.242) 2.541 4.349 ( 0.328 1.318 0.256) 1.383 4.434 ( 3.258 -3.300 0.698) 4.689 4.445 ( 3.719 2.480 -1.724) 4.790 4.512 ( -3.987 -0.850 -2.450) 4.757 4.560 ( 0.362 -1.612 3.541) 3.908 4.590 ( -1.663 -0.060 1.709) 2.386 4.634 ( 0.072 1.526 0.901) 1.774 4.717 ( -0.689 5.127 -4.021) 6.552 4.779 ( 0.861 -1.025 0.531) 1.440 4.830 ( 2.714 2.026 1.257) 3.612 4.901 ( 0.796 -1.262 4.667) 4.899 4.962 ( -1.564 -3.971 3.084) 5.266 4.976 ( -1.348 3.061 -3.460) 4.813 4.997 ( -5.309 -0.688 -0.859) 5.422 5.012 ( -3.117 4.541 0.093) 5.508 5.085 ( -0.487 2.304 -0.332) 2.378 5.200 ( 0.107 0.381 -2.438) 2.470 5.304 ( 1.492 -1.783 -2.849) 3.677 5.317 ( 4.454 0.114 3.797) 5.854 5.344 ( 0.071 1.567 -0.191) 1.580 5.383 ( 1.587 -0.336 -3.570) 3.921 5.429 ( -0.370 -0.714 1.074) 1.342 5.478 ( 4.089 0.659 1.112) 4.288 5.512 ( 3.576 1.345 1.926) 4.278 5.527 ( 3.451 1.353 -0.786) 3.789 5.595 ( 0.876 1.196 -3.426) 3.732 5.617 ( 2.312 -3.065 -1.265) 4.042 5.675 ( 2.198 2.583 -3.595) 4.942 5.732 ( 0.066 1.843 -1.079) 2.137 5.744 ( 4.989 4.241 0.029) 6.548 5.795 ( -0.252 0.725 -1.951) 2.097 5.819 ( 1.159 -4.153 0.373) 4.328 5.844 ( 1.577 -0.188 -5.657) 5.876 5.873 ( 1.796 1.139 0.334) 2.153 5.879 ( -2.447 1.582 0.104) 2.915 6.004 ( 3.352 -3.706 3.982) 6.390 6.025 ( 1.570 2.935 2.550) 4.193 6.039 ( 1.229 -1.781 -4.099) 4.635 6.139 ( -3.061 1.143 -2.189) 3.933 6.189 ( 0.596 -1.894 2.748) 3.390 6.274 ( 4.726 0.271 -0.424) 4.753 6.332 ( -4.031 -2.336 -0.890) 4.743 6.333 ( 1.383 -2.149 2.364) 3.481 6.404 ( 0.388 1.717 5.085) 5.381 6.435 ( -0.031 -1.560 -5.104) 5.337 6.493 ( -0.587 -1.982 -0.892) 2.252 6.509 ( 2.041 1.398 -3.356) 4.169 6.586 ( 8.861 2.395 1.785) 9.351 6.634 ( 0.656 -2.516 4.347) 5.066 6.646 ( 1.145 3.480 -0.906) 3.773 6.704 ( 0.694 3.812 -1.027) 4.008 6.743 ( 0.967 0.679 -2.246) 2.538 6.801 ( -2.190 -3.779 -2.705) 5.137 6.846 ( 6.058 -2.091 1.761) 6.646 6.880 ( 6.335 -2.384 -3.259) 7.513 6.925 ( 6.292 -3.804 -0.889) 7.406 6.929 ( -1.513 4.611 1.479) 5.074 6.970 ( 1.316 -0.782 -3.765) 4.064 7.042 ( 1.846 -2.270 -3.181) 4.322 7.144 ( 4.369 -2.663 -2.686) 5.779 7.188 ( 1.812 -4.022 -0.995) 4.522 7.224 ( -3.075 0.160 -5.347) 6.170 7.260 ( 0.669 -3.891 -1.470) 4.213 7.313 ( 0.957 0.013 0.642) 1.152 7.380 ( -1.360 -0.984 3.821) 4.173 7.419 ( 3.700 4.534 -0.156) 5.854 7.475 ( -3.494 -0.491 2.004) 4.058 7.491 ( -1.095 0.465 -1.546) 1.950 7.507 ( -4.091 2.993 0.369) 5.082 7.627 ( -6.258 2.972 0.872) 6.983 7.672 ( -2.704 2.552 0.054) 3.718 7.704 ( -0.503 2.896 0.563) 2.993 7.771 ( -0.665 -3.183 1.971) 3.802 7.781 ( 1.644 -2.058 -1.747) 3.161 7.831 ( 1.438 1.319 6.046) 6.353 7.851 ( -2.098 2.379 -0.973) 3.318 7.949 ( -0.527 2.799 4.964) 5.723 7.998 ( -0.663 1.017 8.151) 8.241 8.018 ( 5.042 1.241 7.198) 8.876 8.052 ( -0.544 0.527 2.779) 2.880 8.129 ( 1.400 -3.967 -0.752) 4.274 8.178 ( 1.134 -2.070 1.071) 2.592 8.256 ( 1.092 -1.400 3.996) 4.373 8.274 ( -2.858 -0.293 3.848) 4.802 8.324 ( 0.037 3.507 2.321) 4.206 8.422 ( 0.923 -1.822 -3.466) 4.023 8.453 ( -2.500 -3.628 0.920) 4.501 8.542 ( -8.849 -3.008 -1.884) 9.534 8.615 ( -4.350 1.667 1.344) 4.848 8.636 ( -3.645 0.220 -1.159) 3.831 8.728 ( -5.380 -5.129 0.343) 7.441 8.821 ( -4.597 1.446 1.129) 4.950 8.928 ( -4.787 2.195 -1.936) 5.611 8.984 ( -4.158 3.701 1.999) 5.915 9.031 ( 0.311 -3.401 -1.253) 3.638 9.048 ( -3.542 -1.145 1.603) 4.053 9.167 ( -2.765 -4.367 -0.821) 5.234 9.198 ( -0.347 3.825 -0.651) 3.895 9.263 ( -0.672 -0.742 0.685) 1.213 9.342 ( 0.248 1.819 2.829) 3.372 9.430 ( -0.811 2.267 2.770) 3.670 9.454 ( 0.229 -2.392 0.651) 2.490 9.509 ( -1.762 -4.708 -1.503) 5.247 9.607 ( 2.390 -0.801 -0.942) 2.690 9.653 ( 1.653 -3.529 2.936) 4.879 9.719 ( 0.198 0.652 -1.849) 1.970 9.780 ( 0.290 -5.122 2.304) 5.624 9.902 ( 3.957 -5.628 1.283) 6.998 9.991 ( -2.924 -1.643 -3.133) 4.589 10.014 ( -1.000 -1.713 0.769) 2.127 10.058 ( -0.197 0.142 -0.946) 0.977 10.104 ( -2.397 0.928 1.653) 3.056 10.364 ( -0.242 -1.393 -8.757) 8.870 10.386 ( -4.543 -0.195 0.400) 4.565 10.431 ( -3.278 -1.214 2.261) 4.163 10.628 ( 2.746 -2.409 -10.687) 11.294 10.789 ( 0.061 0.577 2.702) 2.764 10.893 ( 7.156 4.869 6.510) 10.830 10.957 ( 3.063 -1.063 -1.825) 3.721 11.004 ( -3.630 -0.076 0.750) 3.708 11.236 ( -4.610 -0.934 6.043) 7.658 11.345 ( -2.052 -1.637 -4.160) 4.919 11.393 ( -6.526 1.869 3.563) 7.666 11.477 ( -5.534 -0.500 0.632) 5.592 11.569 ( -0.224 0.557 2.021) 2.108 11.709 ( 0.040 -2.030 -4.271) 4.729 11.757 ( 0.675 3.347 -0.557) 3.459 11.965 ( 2.163 -1.207 2.148) 3.278 12.020 ( 3.451 12.581 -6.558) 14.601 12.458 ( 6.427 -3.318 -1.473) 7.382 12.985 ( -0.644 7.567 3.096) 8.202 13.354 ( 5.535 10.965 -5.453) 13.439 13.456 ( 2.741 0.231 -0.176) 2.756 13.771 ( 2.696 -1.903 -4.477) 5.562 15.148 ( -4.435 0.583 0.336) 4.485 15.419 ( -7.377 0.559 -15.071) 16.789 15.607 ( -1.236 0.135 -3.035) 3.280 15.677 ( -1.091 0.660 -3.211) 3.455 16.180 ( -1.420 0.950 -0.041) 1.710 16.277 ( 0.117 -1.865 0.087) 1.871 16.433 ( 1.776 1.264 4.912) 5.374 16.486 ( 5.596 1.962 5.831) 8.317 16.911 ( 0.445 2.328 -0.703) 2.472 16.998 ( -1.130 2.176 2.324) 3.378 17.113 ( -1.839 1.175 1.922) 2.908 17.376 ( -1.428 -0.929 1.946) 2.586 17.484 ( 1.681 -3.095 -0.405) 3.546 17.648 ( -4.266 -7.599 -2.149) 8.975 17.812 ( -3.184 -11.865 7.831) 14.568 17.926 ( -0.482 -2.721 2.631) 3.816 18.202 ( -3.338 1.988 -2.077) 4.406 18.348 ( -4.185 -1.912 -4.595) 6.503 18.393 ( -1.672 1.654 2.319) 3.303 18.505 ( -0.747 -2.567 6.196) 6.749 18.599 ( -0.429 3.521 1.800) 3.978 18.806 ( 3.249 -2.257 1.418) 4.202 18.970 ( 17.769 12.029 -0.938) 21.478 19.133 ( 7.499 -0.058 -4.548) 8.770 19.417 ( -0.266 0.152 -0.727) 0.789 19.443 ( -0.468 -0.284 0.217) 0.589 19.469 ( 0.358 -0.237 -0.657) 0.785 19.496 ( 0.403 -0.584 0.344) 0.789 ======================= Grid point 47 (25/48) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 5.922 22.060 14.922) 27.283 1.415 ( 1.138 18.720 28.993) 34.530 1.594 ( 3.612 -20.613 9.370) 22.929 1.684 ( 3.507 -7.692 21.673) 23.263 1.932 ( 0.392 7.738 -1.834) 7.962 1.990 ( -2.792 -3.679 5.122) 6.897 2.083 ( -1.821 24.025 9.592) 25.933 2.385 ( -1.954 0.598 -3.075) 3.692 2.538 ( -1.637 -4.605 0.046) 4.887 2.553 ( -0.932 -3.494 0.418) 3.640 2.591 ( -0.577 3.128 8.534) 9.108 2.756 ( 1.299 -9.419 6.422) 11.474 2.807 ( -2.706 7.294 -5.594) 9.582 2.923 ( -6.115 -4.076 -6.434) 9.768 2.965 ( -4.301 4.077 4.424) 7.395 3.059 ( -3.709 -4.752 -0.210) 6.032 3.139 ( -2.626 0.922 -10.234) 10.605 3.152 ( -3.752 -0.071 -0.697) 3.817 3.174 ( 0.027 0.140 -4.682) 4.684 3.220 ( 0.663 -3.604 -2.112) 4.229 3.260 ( 2.831 -2.165 1.477) 3.858 3.300 ( 2.472 -3.293 -3.406) 5.344 3.415 ( 0.962 0.166 -2.407) 2.597 3.462 ( -0.216 -1.040 -3.962) 4.102 3.491 ( 1.208 -1.464 0.914) 2.106 3.557 ( 3.450 -7.017 2.537) 8.221 3.600 ( -1.806 0.640 1.964) 2.744 3.641 ( -5.074 0.415 -1.274) 5.248 3.682 ( 0.769 3.310 1.283) 3.632 3.793 ( 0.598 -0.750 -2.793) 2.953 3.804 ( -0.770 -2.861 -0.523) 3.009 3.879 ( 1.694 -4.139 -6.258) 7.692 3.914 ( 4.088 1.702 4.004) 5.970 3.945 ( 3.783 -1.061 -0.169) 3.933 4.063 ( 0.302 1.388 -3.246) 3.544 4.088 ( -1.931 -0.960 -0.660) 2.255 4.120 ( -5.146 1.699 0.057) 5.420 4.137 ( -1.344 1.090 2.699) 3.206 4.181 ( 0.463 0.479 -3.973) 4.029 4.205 ( -0.959 -2.113 1.764) 2.914 4.292 ( 1.749 2.135 -4.815) 5.549 4.324 ( 1.720 -0.795 -3.071) 3.609 4.379 ( 1.043 1.411 -1.524) 2.325 4.407 ( -3.793 -1.734 -0.198) 4.176 4.451 ( -0.951 3.837 -1.757) 4.327 4.484 ( -3.991 0.080 1.106) 4.143 4.529 ( -0.735 -3.684 1.942) 4.229 4.570 ( -3.737 -5.624 -3.143) 7.448 4.652 ( 1.479 6.252 1.690) 6.643 4.749 ( 1.602 -1.635 3.414) 4.110 4.783 ( 6.926 3.731 -5.010) 9.326 4.877 ( 0.256 -4.263 -0.898) 4.364 4.917 ( 1.711 1.883 -3.014) 3.945 4.974 ( 3.418 -1.936 1.644) 4.258 5.013 ( 1.016 1.566 7.354) 7.587 5.031 ( 1.792 -1.269 3.882) 4.460 5.080 ( 0.039 5.267 1.219) 5.406 5.132 ( -2.216 2.049 -0.635) 3.084 5.236 ( 0.813 4.829 -1.449) 5.107 5.307 ( 3.781 -2.433 -3.346) 5.604 5.319 ( -0.827 1.946 -1.880) 2.829 5.364 ( 0.311 -1.696 1.156) 2.076 5.399 ( 0.938 2.627 -1.051) 2.981 5.433 ( 1.547 -0.588 2.443) 2.951 5.495 ( 0.990 -1.082 -3.426) 3.727 5.535 ( -1.073 -0.643 -0.930) 1.559 5.572 ( -2.116 2.546 -2.615) 4.219 5.625 ( 1.086 4.233 -0.972) 4.477 5.650 ( -1.095 -3.645 -4.350) 5.780 5.686 ( 1.760 0.436 -1.429) 2.308 5.692 ( -4.348 -1.977 -1.316) 4.954 5.745 ( -0.711 -3.858 -0.226) 3.929 5.788 ( 2.386 0.106 -2.806) 3.685 5.838 ( -0.860 -0.871 -0.408) 1.290 5.875 ( -0.879 2.185 0.633) 2.439 5.908 ( -3.220 3.552 -0.042) 4.795 5.914 ( 3.650 0.795 0.650) 3.792 5.930 ( -0.380 1.390 1.543) 2.112 6.016 ( -0.761 -5.588 3.286) 6.527 6.048 ( 1.306 -4.555 2.046) 5.161 6.115 ( -4.053 -0.630 -0.053) 4.102 6.150 ( -0.371 -3.060 -1.133) 3.284 6.211 ( 0.739 -0.869 -1.701) 2.048 6.233 ( 1.454 -2.133 -0.437) 2.618 6.334 ( -3.900 3.949 1.418) 5.728 6.413 ( -3.819 0.339 0.923) 3.944 6.455 ( 0.128 -1.398 7.619) 7.748 6.486 ( 2.638 1.698 -1.990) 3.715 6.543 ( -2.747 1.018 1.284) 3.199 6.600 ( 2.475 -0.835 -1.705) 3.119 6.632 ( -1.600 -3.710 -4.445) 6.007 6.676 ( 0.682 -3.276 -3.789) 5.055 6.795 ( -0.471 0.043 -3.800) 3.829 6.795 ( 1.619 2.077 -4.134) 4.902 6.821 ( -0.263 6.177 -3.400) 7.055 6.864 ( 4.245 0.815 -1.454) 4.560 6.946 ( 1.747 0.637 0.348) 1.891 6.952 ( 6.910 5.135 -0.442) 8.620 7.008 ( -1.107 1.661 3.274) 3.835 7.045 ( 2.794 -0.411 -1.517) 3.206 7.076 ( 1.758 -8.038 -0.990) 8.287 7.111 ( -2.900 -0.256 -2.436) 3.796 7.132 ( 5.175 -1.391 0.196) 5.362 7.194 ( 4.446 -5.006 0.398) 6.707 7.228 ( 1.373 3.524 -1.318) 4.005 7.318 ( -2.557 -3.581 0.214) 4.405 7.345 ( -4.349 1.938 2.462) 5.360 7.388 ( -3.298 -1.962 2.096) 4.372 7.471 ( 1.761 2.842 0.149) 3.347 7.510 ( 0.806 -0.884 -0.139) 1.204 7.550 ( 0.618 2.075 2.163) 3.061 7.596 ( -2.443 -1.491 -1.580) 3.269 7.642 ( 1.139 6.333 4.227) 7.699 7.761 ( 3.317 -4.056 5.322) 7.468 7.790 ( -1.498 2.379 -1.704) 3.287 7.825 ( -1.305 -1.329 -0.136) 1.868 7.887 ( 0.615 6.210 1.118) 6.339 7.946 ( -6.235 5.079 1.945) 8.274 7.970 ( -3.304 2.859 1.690) 4.685 8.016 ( -1.940 -3.254 2.064) 4.314 8.029 ( -1.162 -0.437 3.370) 3.591 8.064 ( -1.286 0.334 7.004) 7.129 8.116 ( 1.495 -0.105 3.988) 4.260 8.201 ( 5.252 -5.055 1.390) 7.421 8.235 ( -4.855 2.780 0.462) 5.614 8.270 ( -3.781 -1.161 -3.096) 5.023 8.305 ( 2.953 0.438 0.451) 3.019 8.332 ( 1.360 -3.321 1.112) 3.758 8.382 ( 2.306 1.064 1.253) 2.831 8.453 ( 1.285 3.861 1.599) 4.372 8.485 ( -1.095 -2.762 1.904) 3.529 8.603 ( -3.746 -2.456 -0.284) 4.488 8.682 ( -1.325 0.452 -0.950) 1.692 8.726 ( -2.304 -4.895 2.625) 6.013 8.819 ( 0.816 1.047 3.723) 3.952 8.860 ( -0.010 -3.474 -3.115) 4.666 8.978 ( -0.834 1.560 -4.748) 5.067 9.029 ( -1.115 -3.799 -3.710) 5.426 9.129 ( 1.063 4.343 0.157) 4.474 9.179 ( -0.455 -1.437 -0.030) 1.508 9.335 ( -2.359 3.947 -0.792) 4.666 9.362 ( -2.797 1.653 0.394) 3.273 9.424 ( -0.914 0.710 1.828) 2.164 9.439 ( 1.645 -1.230 1.652) 2.636 9.581 ( 2.788 3.210 0.665) 4.303 9.586 ( 1.548 0.480 -0.725) 1.776 9.664 ( 2.573 -0.802 0.809) 2.814 9.726 ( -1.149 -3.529 -0.184) 3.716 9.779 ( 0.511 0.632 0.080) 0.816 9.806 ( -1.472 -2.861 2.149) 3.869 9.902 ( -3.047 -1.193 0.875) 3.387 9.912 ( -3.144 -1.910 -0.011) 3.679 10.094 ( 0.826 1.903 -0.335) 2.102 10.122 ( -0.286 -0.317 -1.760) 1.811 10.325 ( 1.928 2.722 6.594) 7.390 10.386 ( 2.133 -3.895 4.493) 6.317 10.490 ( 3.590 1.967 -6.648) 7.807 10.552 ( 3.834 -4.596 -7.591) 9.667 10.763 ( -2.665 0.069 -0.960) 2.834 10.787 ( -3.235 -2.584 -0.814) 4.219 11.124 ( 0.751 4.805 1.100) 4.986 11.161 ( 5.179 4.713 3.465) 7.813 11.209 ( 0.937 -4.211 3.652) 5.652 11.250 ( 2.635 -4.794 0.388) 5.484 11.354 ( -4.218 1.546 2.031) 4.930 11.369 ( -3.788 0.188 3.265) 5.005 11.570 ( -0.195 1.322 -0.172) 1.347 11.625 ( 1.714 -4.814 -1.105) 5.228 11.874 ( 0.133 6.067 2.322) 6.497 11.971 ( 0.832 -4.414 4.256) 6.188 12.279 ( 0.537 9.318 -6.356) 11.292 12.412 ( -1.099 -5.506 -4.962) 7.493 13.162 ( -0.933 9.833 3.765) 10.571 13.325 ( -0.822 -7.613 3.471) 8.408 13.650 ( 2.491 7.096 -9.526) 12.137 13.743 ( 2.065 -3.499 -5.916) 7.176 15.185 ( -0.354 5.921 -0.743) 5.978 15.278 ( -0.361 -3.019 -4.988) 5.842 15.611 ( 2.529 1.950 -4.264) 5.327 15.647 ( 2.593 -1.627 -4.342) 5.313 16.211 ( 0.974 2.120 0.872) 2.491 16.251 ( 0.907 -2.065 -0.073) 2.257 16.482 ( -2.408 2.307 4.412) 5.531 16.542 ( -0.314 -4.462 4.798) 6.560 17.032 ( 2.852 4.622 1.788) 5.718 17.093 ( 4.788 1.762 0.754) 5.157 17.102 ( -3.582 1.712 3.263) 5.139 17.237 ( -7.702 -8.481 1.522) 11.557 17.400 ( -1.786 1.331 5.490) 5.925 17.453 ( 0.661 -3.571 1.667) 3.996 17.811 ( 0.841 2.413 -0.307) 2.574 17.873 ( 0.757 -4.185 0.454) 4.277 18.194 ( -0.299 2.178 -2.828) 3.582 18.230 ( -1.092 -1.647 -4.021) 4.481 18.415 ( -0.873 2.333 2.844) 3.780 18.464 ( -0.606 -2.988 3.277) 4.476 18.703 ( 0.304 4.722 3.510) 5.892 18.787 ( 0.162 -4.170 2.597) 4.915 19.179 ( -0.739 1.116 -7.715) 7.831 19.196 ( -0.245 -0.513 -8.233) 8.253 19.422 ( 0.666 0.621 0.294) 0.956 19.434 ( 0.378 -0.693 0.785) 1.113 19.474 ( 0.350 1.256 -0.274) 1.332 19.494 ( 0.719 -0.760 -0.134) 1.055 ======================= Grid point 48 (26/48) ======================= q-point: ( 0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 12.073 15.427 16.692) 25.736 1.715 ( 10.370 15.781 16.614) 25.152 1.785 ( 8.507 -5.229 10.443) 14.449 2.001 ( 8.231 1.924 9.083) 12.408 2.029 ( 7.947 -0.422 2.281) 8.279 2.088 ( 11.995 -11.201 12.860) 20.850 2.224 ( 10.622 11.588 7.839) 17.566 2.349 ( 0.957 0.345 -2.338) 2.549 2.484 ( -1.141 -1.225 -3.575) 3.947 2.518 ( -3.749 -5.574 0.706) 6.754 2.699 ( 1.735 5.547 6.344) 8.603 2.734 ( -4.463 1.878 -4.320) 6.489 2.740 ( 0.095 2.649 -3.174) 4.136 2.822 ( -0.818 -2.337 8.563) 8.914 2.925 ( -2.766 3.201 1.616) 4.528 2.976 ( -3.277 -0.757 -4.077) 5.285 3.048 ( -0.020 -0.704 -6.550) 6.588 3.093 ( 2.092 -2.530 -3.801) 5.022 3.147 ( -0.459 0.458 -3.290) 3.353 3.229 ( 1.429 0.776 -1.983) 2.564 3.323 ( 1.792 -1.847 -3.562) 4.394 3.358 ( -2.231 -2.599 1.160) 3.616 3.385 ( 1.769 -7.678 5.053) 9.360 3.400 ( -0.151 -2.944 -6.694) 7.314 3.505 ( -4.039 1.954 -3.815) 5.889 3.540 ( -0.290 -0.269 5.253) 5.268 3.570 ( 1.011 -0.131 -1.122) 1.516 3.589 ( -1.130 -4.580 1.249) 4.880 3.707 ( -1.853 -5.084 1.140) 5.530 3.728 ( -0.819 -5.780 -2.433) 6.324 3.842 ( 1.756 4.673 0.197) 4.996 3.886 ( 0.911 -0.274 -2.785) 2.943 3.907 ( -3.456 1.011 -0.316) 3.615 3.938 ( -5.470 3.784 -3.457) 7.497 3.986 ( -5.372 0.861 0.710) 5.487 4.008 ( -3.098 -2.471 4.336) 5.874 4.069 ( -0.110 -1.303 0.999) 1.645 4.104 ( 1.724 -3.614 -2.147) 4.544 4.183 ( 0.128 1.931 0.086) 1.937 4.213 ( -0.975 -1.224 0.197) 1.577 4.288 ( 1.150 3.056 -3.902) 5.088 4.334 ( 1.704 0.750 1.220) 2.226 4.361 ( -0.676 -0.480 -1.240) 1.492 4.409 ( 0.393 -0.428 -2.345) 2.416 4.451 ( 0.494 4.104 3.060) 5.143 4.493 ( 2.125 1.110 -0.490) 2.447 4.522 ( 0.362 -4.010 0.096) 4.028 4.553 ( 1.000 -3.515 2.921) 4.678 4.685 ( 0.142 4.392 -0.220) 4.399 4.747 ( -8.466 1.299 2.698) 8.980 4.784 ( -0.307 -1.665 -1.412) 2.204 4.816 ( -4.902 -2.279 4.388) 6.963 4.960 ( -0.977 2.763 -4.420) 5.303 5.002 ( 3.793 1.868 -5.797) 7.175 5.011 ( 3.876 -1.540 -4.950) 6.472 5.040 ( -4.226 2.760 -2.822) 5.783 5.100 ( -2.831 1.010 2.492) 3.904 5.153 ( -0.413 -3.866 -2.860) 4.826 5.222 ( -1.995 5.761 1.598) 6.303 5.270 ( -0.750 -0.104 5.826) 5.875 5.333 ( -2.362 5.940 -0.985) 6.468 5.371 ( -2.127 2.511 -0.835) 3.395 5.421 ( -0.472 -0.092 -1.516) 1.590 5.438 ( 1.066 -0.989 -3.366) 3.667 5.460 ( 0.852 -1.309 3.598) 3.922 5.502 ( -3.570 -1.104 -2.658) 4.586 5.542 ( -0.990 3.450 1.051) 3.740 5.606 ( -4.012 -1.361 -3.600) 5.559 5.613 ( -1.617 -2.435 -2.082) 3.588 5.648 ( 0.740 4.571 -0.110) 4.632 5.683 ( -2.441 -3.267 1.530) 4.355 5.715 ( 0.253 -1.581 -1.461) 2.167 5.779 ( 0.784 -5.188 -3.755) 6.452 5.794 ( -9.490 -4.489 1.818) 10.655 5.835 ( 1.003 4.995 3.701) 6.297 5.866 ( 2.017 0.462 -1.508) 2.561 5.914 ( 3.627 2.235 -1.847) 4.643 5.979 ( -0.515 4.624 -4.026) 6.153 6.013 ( 3.065 -5.992 1.816) 6.972 6.059 ( 1.994 3.499 1.580) 4.326 6.105 ( -0.559 -6.242 -1.900) 6.549 6.144 ( -0.475 -4.965 1.878) 5.329 6.252 ( 0.938 1.156 1.909) 2.421 6.277 ( -2.565 -0.603 -0.056) 2.636 6.347 ( 2.772 3.947 2.813) 5.584 6.390 ( 4.807 1.125 2.801) 5.677 6.460 ( -1.587 1.756 -4.621) 5.192 6.484 ( -4.312 -0.441 -3.371) 5.491 6.513 ( -0.331 -2.250 -0.574) 2.346 6.554 ( -5.705 -4.562 -2.453) 7.706 6.603 ( 2.561 3.104 0.036) 4.024 6.684 ( 1.154 -3.743 -2.957) 4.908 6.740 ( 2.145 1.301 -9.191) 9.527 6.778 ( -2.936 2.722 -1.437) 4.254 6.781 ( 1.870 -2.941 -1.569) 3.822 6.883 ( -6.333 -2.033 0.336) 6.659 6.904 ( 1.280 -2.539 -2.315) 3.667 6.937 ( 0.388 -0.850 -1.120) 1.458 7.010 ( -2.585 4.843 -1.627) 5.726 7.062 ( 2.663 2.499 -3.009) 4.732 7.091 ( -0.275 -0.283 0.694) 0.799 7.127 ( 0.618 -4.124 -0.522) 4.202 7.190 ( -2.310 0.371 -1.671) 2.874 7.201 ( 1.374 0.522 -3.527) 3.821 7.225 ( -2.654 5.182 2.620) 6.385 7.315 ( -2.633 3.492 0.487) 4.400 7.347 ( 1.836 -2.241 1.973) 3.505 7.382 ( 0.803 -1.530 4.259) 4.596 7.464 ( -1.109 -0.016 -1.643) 1.982 7.499 ( -0.690 -1.983 2.581) 3.327 7.532 ( 0.013 1.399 -1.802) 2.282 7.560 ( 0.300 -1.740 1.763) 2.495 7.710 ( 0.760 5.096 4.210) 6.654 7.776 ( -0.935 1.186 1.847) 2.386 7.809 ( -0.687 8.205 2.920) 8.736 7.832 ( -2.911 0.354 2.223) 3.680 7.862 ( -3.236 -2.378 0.366) 4.033 7.894 ( 1.343 -1.284 3.433) 3.903 7.906 ( -1.503 1.230 2.160) 2.905 7.997 ( -2.061 -6.128 2.662) 6.992 8.048 ( 1.015 0.989 3.136) 3.441 8.094 ( 3.652 -1.069 5.182) 6.429 8.146 ( -4.593 2.404 1.390) 5.367 8.179 ( -0.032 0.368 -0.147) 0.397 8.210 ( 3.445 2.940 -1.618) 4.809 8.271 ( -1.573 0.046 5.958) 6.163 8.365 ( 1.457 1.786 1.307) 2.650 8.373 ( 1.508 1.699 1.786) 2.890 8.483 ( -0.445 -4.041 0.401) 4.085 8.509 ( 1.981 -4.626 2.995) 5.856 8.554 ( 4.016 0.667 0.865) 4.162 8.610 ( 8.892 -4.656 -1.025) 10.090 8.712 ( 5.821 2.247 -0.078) 6.240 8.768 ( 2.861 -1.655 0.811) 3.403 8.841 ( 1.142 0.289 -1.469) 1.883 8.880 ( 0.701 -2.559 -1.094) 2.870 8.957 ( 3.204 3.147 -1.858) 4.861 9.015 ( 1.813 -3.084 -0.684) 3.643 9.184 ( 3.162 1.391 -1.835) 3.912 9.200 ( 3.649 -0.669 -2.189) 4.308 9.279 ( -1.225 4.253 1.901) 4.817 9.323 ( -0.909 -0.885 3.525) 3.746 9.408 ( -1.516 4.908 -1.226) 5.281 9.482 ( 1.223 -1.245 1.064) 2.044 9.571 ( -4.348 0.316 -0.835) 4.439 9.584 ( -1.908 1.800 0.029) 2.624 9.662 ( -2.369 -0.776 -0.169) 2.498 9.707 ( 2.021 -2.648 -1.758) 3.766 9.753 ( -4.444 0.201 2.750) 5.230 9.820 ( 0.550 -4.765 3.402) 5.880 9.862 ( -0.043 0.843 1.146) 1.423 9.905 ( 2.168 -2.775 -0.187) 3.526 10.089 ( -0.611 0.881 -2.265) 2.506 10.099 ( 0.280 0.041 -2.752) 2.766 10.347 ( -3.776 0.676 -6.026) 7.144 10.370 ( -5.246 -1.686 -8.044) 9.750 10.538 ( 5.168 3.945 4.556) 7.939 10.626 ( 3.388 -5.005 3.358) 6.914 10.741 ( 0.328 1.074 -0.896) 1.437 10.783 ( 1.459 -4.108 1.492) 4.608 11.136 ( 1.043 3.248 -0.771) 3.498 11.187 ( 0.248 -0.078 3.049) 3.060 11.285 ( 1.181 -0.364 -1.587) 2.011 11.318 ( 4.755 -2.786 5.075) 7.492 11.383 ( 4.447 0.943 3.037) 5.467 11.404 ( 4.419 -0.615 3.182) 5.480 11.571 ( 0.584 3.741 -1.017) 3.921 11.666 ( 3.145 -6.689 -2.020) 7.662 11.870 ( -2.096 7.400 2.755) 8.170 11.989 ( -1.991 -5.445 4.808) 7.532 12.188 ( -5.058 5.750 -5.780) 9.595 12.286 ( -7.676 -4.616 -5.763) 10.650 13.162 ( -1.319 9.723 3.532) 10.429 13.325 ( -1.398 -7.675 3.417) 8.517 13.596 ( -1.705 9.745 -7.292) 12.290 13.724 ( -0.114 -4.681 -5.351) 7.111 15.185 ( 1.046 4.556 -0.827) 4.747 15.276 ( 2.258 -4.597 -3.819) 6.389 15.671 ( 5.673 2.526 -4.576) 7.714 15.707 ( 5.203 -1.073 -3.866) 6.570 16.233 ( 0.607 1.268 -0.144) 1.413 16.250 ( -0.531 -0.436 -1.494) 1.645 16.454 ( -2.688 4.418 4.837) 7.081 16.569 ( -0.363 -8.049 4.742) 9.349 16.986 ( -3.672 4.579 -0.497) 5.891 17.066 ( -5.851 -3.656 3.008) 7.527 17.189 ( 3.096 0.710 1.025) 3.338 17.227 ( 6.585 -2.761 0.352) 7.149 17.400 ( -1.929 3.569 5.619) 6.930 17.465 ( -0.741 -3.038 3.311) 4.554 17.826 ( 0.763 1.927 -0.474) 2.126 17.895 ( 0.998 -5.551 0.190) 5.643 18.203 ( 2.847 1.440 -2.667) 4.159 18.222 ( 2.657 -0.534 -3.018) 4.056 18.422 ( -0.163 2.561 2.622) 3.669 18.478 ( 0.048 -3.388 2.546) 4.239 18.724 ( -0.472 3.780 3.531) 5.194 18.787 ( -1.750 -2.828 2.690) 4.278 19.035 ( -8.015 2.249 -5.931) 10.221 19.064 ( -6.619 -0.972 -6.255) 9.159 19.430 ( -0.126 0.356 -0.117) 0.395 19.437 ( -0.419 -0.466 0.118) 0.638 19.485 ( 0.785 1.572 -0.415) 1.806 19.507 ( 0.642 -0.582 -0.255) 0.903 ======================= Grid point 49 (27/48) ======================= q-point: ( 0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.807 ( 7.459 9.427 10.916) 16.238 1.930 ( 1.757 1.655 4.947) 5.504 2.010 ( 9.895 14.466 7.360) 19.009 2.135 ( 6.674 6.754 5.189) 10.820 2.187 ( 6.104 -4.485 5.103) 9.134 2.337 ( 3.433 4.229 -1.284) 5.596 2.411 ( 4.117 -10.104 6.971) 12.947 2.431 ( -2.289 -0.069 3.742) 4.387 2.452 ( 4.422 1.281 -4.663) 6.553 2.471 ( 4.053 -9.238 0.856) 10.124 2.628 ( -0.702 5.239 -5.114) 7.355 2.679 ( -1.683 -1.300 -8.285) 8.554 2.780 ( -3.371 1.243 5.062) 6.208 2.842 ( -2.229 -4.282 5.438) 7.272 2.925 ( -0.399 -1.530 2.195) 2.705 2.986 ( 1.884 -6.351 1.473) 6.787 3.019 ( 3.480 9.356 -3.764) 10.669 3.130 ( 1.185 -1.919 -5.215) 5.682 3.161 ( -3.565 0.783 0.059) 3.650 3.190 ( 2.399 -1.243 2.792) 3.885 3.302 ( 6.046 5.195 0.580) 7.993 3.360 ( -1.269 2.286 -3.691) 4.523 3.397 ( 1.481 -4.753 -5.467) 7.394 3.434 ( 2.124 -0.491 -2.509) 3.324 3.485 ( -0.072 -1.532 4.433) 4.691 3.594 ( 5.937 -4.054 6.898) 9.963 3.603 ( 3.297 4.535 3.526) 6.623 3.652 ( 2.099 -1.956 2.212) 3.623 3.702 ( 0.147 -2.362 -3.403) 4.145 3.736 ( -2.551 -0.924 -6.854) 7.371 3.772 ( 0.552 0.368 1.345) 1.500 3.825 ( -1.082 -3.091 4.464) 5.537 3.858 ( -0.939 1.169 -1.866) 2.394 3.918 ( -1.905 0.362 4.046) 4.487 3.929 ( -0.864 -2.379 0.611) 2.603 3.984 ( -1.030 -4.528 0.625) 4.685 4.096 ( 0.135 3.358 4.208) 5.385 4.152 ( -0.983 0.980 0.744) 1.575 4.182 ( 1.189 -1.719 2.409) 3.189 4.194 ( 0.059 -0.800 -0.335) 0.869 4.258 ( -2.445 0.741 1.586) 3.007 4.303 ( -2.957 -2.792 -1.271) 4.260 4.396 ( -1.948 2.152 1.701) 3.364 4.409 ( 0.637 -0.038 4.912) 4.953 4.451 ( 0.251 1.578 0.311) 1.628 4.495 ( -5.219 -3.910 2.218) 6.888 4.541 ( 0.363 1.063 -1.981) 2.278 4.568 ( -2.273 0.011 2.536) 3.406 4.632 ( -5.440 -0.038 1.332) 5.601 4.646 ( 0.452 0.081 0.778) 0.903 4.727 ( 1.830 2.099 -5.463) 6.131 4.807 ( -2.659 -2.022 0.240) 3.349 4.882 ( -9.664 0.239 0.416) 9.676 4.918 ( -9.446 -1.830 -0.826) 9.657 4.921 ( -1.807 4.256 -2.857) 5.435 4.970 ( -1.308 4.024 -3.635) 5.578 5.015 ( 1.966 -0.306 -7.404) 7.667 5.101 ( 2.376 -5.144 -4.785) 7.417 5.205 ( -1.109 3.612 -3.886) 5.420 5.255 ( -6.501 0.470 0.968) 6.589 5.285 ( -5.583 0.642 0.646) 5.657 5.302 ( -0.523 -0.044 2.747) 2.796 5.392 ( -3.568 0.914 0.580) 3.729 5.418 ( 1.201 -0.297 1.019) 1.603 5.440 ( 0.241 2.215 2.065) 3.038 5.496 ( -2.092 -4.184 -0.172) 4.681 5.527 ( 0.409 3.976 5.539) 6.831 5.564 ( -1.216 1.657 0.750) 2.188 5.598 ( -2.156 3.805 -2.750) 5.166 5.624 ( 1.038 0.947 -3.812) 4.062 5.639 ( -1.807 2.360 1.884) 3.519 5.728 ( 2.959 -3.948 1.710) 5.222 5.781 ( 4.511 -0.053 -2.679) 5.246 5.830 ( 3.058 0.930 -2.927) 4.334 5.867 ( 1.008 -2.578 -1.575) 3.184 5.906 ( 2.001 0.625 -3.257) 3.873 5.930 ( 0.348 -1.525 0.657) 1.696 5.975 ( 0.317 -1.522 -3.916) 4.213 6.037 ( 0.560 0.954 -2.454) 2.692 6.082 ( -1.317 0.038 -3.383) 3.631 6.096 ( -2.558 0.045 -2.426) 3.526 6.117 ( 1.930 -2.044 0.981) 2.977 6.168 ( -2.737 -1.297 1.747) 3.496 6.200 ( -6.870 -2.005 -0.703) 7.191 6.340 ( -0.023 3.985 2.321) 4.611 6.376 ( 0.163 1.490 -4.378) 4.627 6.434 ( 0.552 0.396 -5.194) 5.238 6.492 ( 0.452 -5.215 -1.373) 5.412 6.535 ( 4.278 0.305 1.921) 4.700 6.570 ( 2.748 -0.554 1.984) 3.435 6.623 ( -1.661 1.235 1.657) 2.652 6.664 ( -0.030 -1.177 -3.051) 3.271 6.744 ( -2.418 0.338 -4.399) 5.031 6.768 ( 3.067 5.370 -5.572) 8.324 6.787 ( 1.057 -4.547 0.227) 4.674 6.821 ( -0.649 1.369 -1.958) 2.476 6.889 ( -4.182 -0.423 -1.300) 4.400 6.946 ( 2.126 -3.090 -5.494) 6.653 6.957 ( -1.183 0.172 -2.265) 2.561 7.032 ( -4.084 -3.157 -1.924) 5.509 7.082 ( 0.370 1.337 -2.338) 2.718 7.109 ( -1.393 -1.040 -1.825) 2.521 7.154 ( 2.140 0.171 -1.877) 2.851 7.164 ( 2.520 -1.522 -5.895) 6.590 7.269 ( 5.607 6.029 1.869) 8.442 7.315 ( 2.002 2.672 -1.966) 3.874 7.339 ( 1.847 1.335 -1.870) 2.948 7.442 ( 4.275 -4.247 2.831) 6.658 7.489 ( -0.033 0.254 5.030) 5.037 7.530 ( 0.893 6.657 0.042) 6.717 7.551 ( 1.009 -1.087 -0.575) 1.591 7.598 ( 0.866 1.026 -0.076) 1.345 7.651 ( -5.643 -2.442 2.879) 6.790 7.728 ( -4.474 -4.151 1.173) 6.215 7.754 ( -5.236 1.109 0.398) 5.367 7.778 ( -3.787 -0.963 3.937) 5.547 7.827 ( -5.761 2.055 2.655) 6.668 7.885 ( -0.613 -1.848 3.238) 3.779 7.937 ( 0.945 2.411 2.647) 3.703 8.003 ( 0.273 -3.770 3.469) 5.131 8.076 ( -1.612 3.368 0.699) 3.799 8.092 ( -1.128 2.449 1.412) 3.044 8.192 ( 1.714 1.573 1.108) 2.576 8.216 ( -0.481 5.337 4.535) 7.020 8.256 ( 5.895 -3.735 1.664) 7.174 8.293 ( -1.778 -1.674 8.968) 9.295 8.349 ( -1.146 -0.651 1.432) 1.946 8.404 ( -2.521 -0.506 2.508) 3.592 8.470 ( 0.895 -0.373 3.156) 3.301 8.553 ( 0.569 -5.027 2.663) 5.717 8.620 ( -0.123 3.505 0.178) 3.512 8.676 ( 1.420 -1.892 -1.515) 2.809 8.783 ( 1.220 4.628 2.569) 5.432 8.840 ( 3.572 -0.159 0.126) 3.577 8.909 ( 4.728 0.344 -1.539) 4.985 8.950 ( 7.170 -3.831 -0.085) 8.129 9.039 ( 3.569 2.232 2.321) 4.807 9.076 ( 2.282 -1.256 1.448) 2.980 9.205 ( 1.515 1.600 -1.652) 2.754 9.248 ( 2.986 -2.990 -1.534) 4.495 9.304 ( 0.427 4.869 -0.562) 4.920 9.363 ( 0.299 -2.163 -1.230) 2.506 9.385 ( 1.288 3.362 1.889) 4.066 9.465 ( -2.021 -2.696 -0.827) 3.469 9.517 ( 0.560 1.975 -0.990) 2.279 9.580 ( -1.253 -3.157 0.464) 3.428 9.614 ( -4.317 -1.515 1.961) 4.978 9.635 ( -0.389 -2.865 3.523) 4.558 9.790 ( 3.552 3.196 -0.587) 4.814 9.867 ( 2.743 -2.574 -0.171) 3.765 9.895 ( 1.412 -1.056 0.898) 1.978 9.943 ( 0.449 -4.057 -0.073) 4.083 10.046 ( -1.259 1.975 -4.434) 5.015 10.078 ( -0.716 -1.315 -4.334) 4.585 10.226 ( -2.335 0.285 -2.910) 3.741 10.232 ( -1.794 -0.210 -2.266) 2.897 10.643 ( 1.249 1.574 3.746) 4.251 10.665 ( -0.011 -0.744 -0.252) 0.785 10.719 ( -2.058 2.348 -1.013) 3.283 10.780 ( -2.725 -3.678 -0.297) 4.588 11.144 ( 0.569 5.401 -0.057) 5.431 11.235 ( 1.397 -2.764 3.202) 4.455 11.341 ( 4.364 5.676 -0.669) 7.191 11.456 ( 4.787 -4.243 2.796) 6.981 11.473 ( 2.349 0.543 0.712) 2.514 11.485 ( 2.624 1.265 1.415) 3.239 11.597 ( 3.312 3.118 0.712) 4.604 11.700 ( 1.425 -6.915 -3.476) 7.870 11.839 ( -2.177 6.553 2.302) 7.279 11.958 ( -3.499 -5.740 3.536) 7.595 12.058 ( -4.178 0.511 -4.097) 5.874 12.096 ( -7.050 -2.976 -4.387) 8.820 13.156 ( -1.407 9.509 3.096) 10.099 13.316 ( -1.522 -7.546 3.021) 8.270 13.522 ( -1.586 11.406 -5.263) 12.661 13.684 ( -0.522 -6.310 -4.963) 8.045 15.217 ( 2.234 3.534 0.127) 4.182 15.307 ( 2.715 -6.039 -2.019) 6.922 15.744 ( 4.309 2.519 -4.439) 6.680 15.771 ( 3.537 -0.223 -3.840) 5.225 16.227 ( -0.254 0.445 -0.760) 0.917 16.236 ( 0.125 -0.506 -0.327) 0.615 16.440 ( -2.000 5.579 3.457) 6.862 16.551 ( -4.356 -6.079 2.536) 7.897 16.944 ( 0.195 2.304 -1.792) 2.926 16.991 ( -1.991 -2.557 -0.892) 3.361 17.249 ( 1.373 3.291 2.122) 4.150 17.325 ( 2.936 -4.479 -0.070) 5.356 17.395 ( -1.953 4.220 6.020) 7.607 17.480 ( -0.474 -4.341 5.753) 7.223 17.832 ( 0.429 2.114 -1.304) 2.521 17.906 ( 0.275 -5.504 -0.956) 5.593 18.264 ( 4.475 2.053 -1.291) 5.090 18.295 ( 5.593 -1.407 -0.613) 5.799 18.439 ( -0.015 2.550 3.326) 4.191 18.493 ( -0.394 -3.210 3.035) 4.435 18.726 ( -0.933 2.668 0.883) 2.961 18.761 ( -1.390 -0.909 0.495) 1.733 18.857 ( -6.786 2.442 -3.560) 8.042 18.898 ( -6.738 -1.906 -4.215) 8.173 19.423 ( -0.320 0.025 -0.021) 0.322 19.428 ( -0.441 -0.553 0.223) 0.741 19.492 ( 0.360 1.540 -0.910) 1.824 19.512 ( 0.157 -0.403 -0.694) 0.818 ======================= Grid point 50 (28/48) ======================= q-point: (-0.50 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.753 ( -12.526 8.257 2.298) 15.177 1.873 ( -8.990 -4.285 1.825) 10.125 2.163 ( -6.998 16.312 -1.274) 17.796 2.245 ( -2.820 7.823 7.366) 11.109 2.322 ( 0.021 3.543 1.097) 3.709 2.387 ( 1.920 1.620 13.473) 13.705 2.410 ( -1.422 -1.109 -2.233) 2.870 2.464 ( 6.351 1.176 4.259) 7.737 2.520 ( 4.971 -5.724 6.207) 9.798 2.571 ( -1.598 -3.086 -1.890) 3.956 2.596 ( 1.140 -3.631 -4.548) 5.931 2.669 ( 4.907 -3.908 -0.429) 6.288 2.739 ( 2.862 0.251 0.608) 2.937 2.848 ( 1.134 -4.992 3.167) 6.019 2.951 ( 1.290 1.940 0.135) 2.334 3.021 ( 1.926 -5.993 -0.518) 6.317 3.057 ( -2.193 2.227 1.809) 3.612 3.116 ( 1.413 -0.631 2.396) 2.852 3.158 ( 2.227 0.085 -0.851) 2.386 3.238 ( 4.817 -5.239 -1.918) 7.370 3.306 ( -2.830 2.827 -5.519) 6.817 3.376 ( 3.258 1.438 -6.094) 7.058 3.393 ( 0.839 -0.391 -6.961) 7.022 3.455 ( 4.317 -2.758 -2.042) 5.515 3.545 ( -10.630 4.432 1.368) 11.598 3.565 ( -1.320 5.027 -0.122) 5.199 3.616 ( -4.398 -0.641 -0.621) 4.488 3.638 ( -2.688 -2.748 -5.056) 6.352 3.687 ( -0.962 1.324 2.501) 2.989 3.719 ( -0.070 -0.919 3.469) 3.589 3.748 ( 0.028 2.071 -1.551) 2.587 3.809 ( -8.281 -2.429 0.804) 8.667 3.885 ( 0.802 -0.233 3.136) 3.245 3.914 ( -0.310 -1.671 2.389) 2.932 3.956 ( 3.037 -0.519 2.451) 3.937 3.967 ( -1.429 -1.467 -0.461) 2.099 4.079 ( -3.231 2.985 3.246) 5.467 4.125 ( -1.774 -1.743 2.278) 3.373 4.139 ( -2.455 -0.181 2.296) 3.366 4.202 ( -5.540 -5.403 4.113) 8.764 4.235 ( -0.554 -1.830 5.442) 5.769 4.292 ( -3.094 -5.983 3.901) 7.783 4.359 ( -0.083 1.789 1.414) 2.282 4.384 ( -0.528 -0.576 2.254) 2.385 4.449 ( 3.911 1.496 -1.083) 4.325 4.480 ( 0.581 -0.479 0.595) 0.959 4.536 ( -0.533 2.415 1.987) 3.172 4.554 ( 1.204 -0.002 2.580) 2.847 4.667 ( 3.818 4.691 3.016) 6.759 4.678 ( 3.545 1.304 -0.532) 3.814 4.701 ( 3.570 -1.627 -1.764) 4.302 4.744 ( 1.319 3.229 -3.981) 5.293 4.792 ( 0.130 -6.702 4.586) 8.121 4.857 ( -1.871 -4.963 -0.069) 5.304 5.005 ( 6.702 4.245 0.549) 7.952 5.024 ( 7.293 7.732 1.936) 10.804 5.068 ( -4.468 4.304 -1.038) 6.290 5.094 ( 4.164 -0.687 -3.867) 5.724 5.145 ( 2.500 -2.695 -2.091) 4.229 5.172 ( -1.221 -3.657 -1.732) 4.227 5.212 ( 0.663 1.722 0.821) 2.020 5.294 ( 0.112 -2.789 -1.189) 3.034 5.360 ( 0.436 0.866 -1.834) 2.075 5.401 ( -2.769 -3.406 -3.559) 5.652 5.458 ( -0.424 1.992 -1.123) 2.326 5.477 ( -1.669 0.853 1.380) 2.327 5.525 ( 0.388 3.535 3.060) 4.691 5.538 ( -1.727 0.978 1.333) 2.391 5.582 ( 1.972 0.812 -1.211) 2.453 5.586 ( 1.217 -2.123 -1.523) 2.883 5.694 ( 1.507 4.579 0.032) 4.821 5.750 ( -2.950 5.998 -0.831) 6.736 5.765 ( -3.325 -2.540 1.474) 4.436 5.846 ( -0.165 3.671 -1.842) 4.110 5.872 ( 0.313 -2.834 -2.738) 3.953 5.915 ( 2.418 -3.104 -2.909) 4.893 5.942 ( 0.378 -2.346 0.989) 2.574 5.959 ( 3.070 -3.651 0.583) 4.806 6.011 ( -0.201 -0.021 -3.828) 3.834 6.032 ( 1.914 -1.444 -3.881) 4.562 6.114 ( 2.054 2.752 -3.825) 5.141 6.144 ( 0.500 0.388 -4.354) 4.400 6.183 ( 3.819 2.596 1.490) 4.853 6.241 ( 3.065 -2.399 1.313) 4.107 6.330 ( -1.012 2.919 -5.136) 5.994 6.364 ( 1.555 -0.608 -0.211) 1.683 6.426 ( -0.271 1.497 1.825) 2.376 6.500 ( 1.382 -4.673 -1.021) 4.979 6.528 ( -2.633 3.041 -1.248) 4.212 6.572 ( -1.804 0.850 -0.558) 2.071 6.605 ( -1.335 0.597 -0.056) 1.463 6.647 ( 1.160 -1.961 -1.158) 2.556 6.705 ( 0.881 2.133 -1.994) 3.050 6.752 ( -3.899 3.553 -6.763) 8.577 6.789 ( -2.220 -1.649 -1.005) 2.943 6.809 ( 1.431 -4.363 -5.039) 6.817 6.827 ( 1.306 5.070 -1.547) 5.459 6.866 ( -0.594 0.077 -5.883) 5.914 6.929 ( -2.135 -4.064 -4.787) 6.632 6.980 ( 2.356 -7.076 -4.867) 8.905 7.054 ( -1.605 4.014 -2.530) 5.009 7.128 ( 0.788 -3.046 0.995) 3.300 7.191 ( 2.861 1.993 -2.776) 4.456 7.213 ( 0.955 -0.048 -4.491) 4.591 7.285 ( 1.422 3.377 -3.331) 4.952 7.341 ( 0.024 -1.608 -4.072) 4.378 7.396 ( -1.262 1.972 -0.873) 2.499 7.471 ( -1.081 0.942 -1.721) 2.240 7.488 ( -0.941 2.732 -1.635) 3.320 7.528 ( -1.351 -3.993 1.664) 4.532 7.541 ( -4.382 -3.847 -1.279) 5.969 7.578 ( -3.759 -5.011 0.531) 6.287 7.638 ( 0.692 4.671 -4.536) 6.548 7.661 ( 8.035 2.443 8.045) 11.630 7.710 ( -4.320 -0.982 3.587) 5.700 7.741 ( 3.917 -3.227 9.080) 10.402 7.827 ( 0.412 2.657 7.242) 7.725 7.898 ( -1.675 -3.730 5.746) 7.052 7.968 ( 1.376 3.757 1.989) 4.468 8.020 ( -1.395 -1.477 3.810) 4.317 8.042 ( -2.099 2.308 0.885) 3.243 8.076 ( -1.318 -2.423 1.110) 2.973 8.203 ( -0.804 7.360 1.729) 7.603 8.221 ( -0.360 4.614 2.179) 5.116 8.296 ( -4.617 1.256 3.130) 5.717 8.313 ( -4.219 -3.105 9.379) 10.743 8.353 ( -2.074 -2.017 0.611) 2.957 8.368 ( -0.318 -4.158 0.167) 4.173 8.493 ( 0.613 -0.800 1.195) 1.563 8.518 ( -1.133 -1.400 -2.027) 2.711 8.650 ( 1.997 4.614 4.789) 6.943 8.730 ( 1.187 -4.011 4.766) 6.341 8.815 ( 1.180 6.903 1.297) 7.122 8.898 ( 0.406 -1.959 -0.968) 2.223 8.999 ( 4.719 3.798 3.617) 7.056 9.031 ( -0.025 0.574 -0.271) 0.635 9.063 ( -1.452 -1.296 4.296) 4.716 9.102 ( 0.801 -4.324 2.657) 5.138 9.228 ( -0.940 6.571 -2.523) 7.101 9.294 ( 2.022 -0.668 -2.759) 3.485 9.311 ( -0.513 -1.068 0.308) 1.224 9.336 ( 0.907 -4.035 -0.294) 4.146 9.414 ( 1.170 0.484 1.614) 2.051 9.440 ( -2.575 -1.492 0.758) 3.071 9.500 ( -1.778 0.615 -0.328) 1.909 9.530 ( 0.514 -2.926 -1.514) 3.334 9.609 ( 0.148 0.261 0.697) 0.759 9.651 ( -2.678 -3.343 0.570) 4.321 9.795 ( -2.588 1.368 -4.593) 5.447 9.839 ( -3.280 -2.107 -5.710) 6.914 9.917 ( 2.885 -1.012 2.828) 4.165 9.961 ( 2.402 -4.908 1.554) 5.681 10.068 ( 4.613 3.020 -1.025) 5.608 10.114 ( 3.346 -2.077 -1.151) 4.102 10.254 ( 4.787 1.922 3.440) 6.200 10.277 ( 5.018 -0.869 3.703) 6.297 10.606 ( -4.395 1.475 -2.145) 5.109 10.636 ( -2.501 -1.771 -3.082) 4.346 10.678 ( -1.002 2.393 -0.613) 2.666 10.721 ( -0.785 -1.953 -1.197) 2.421 11.155 ( -0.650 5.151 1.087) 5.304 11.213 ( -6.147 0.709 0.204) 6.191 11.355 ( -0.784 5.841 -2.582) 6.434 11.486 ( -2.422 -5.971 -2.249) 6.825 11.514 ( 3.116 3.658 2.703) 5.513 11.564 ( 0.901 -0.834 2.807) 3.064 11.643 ( -1.019 0.872 1.249) 1.833 11.695 ( 1.491 -3.716 -1.752) 4.370 11.809 ( -2.423 4.233 0.412) 4.895 11.909 ( -2.953 -5.373 0.433) 6.146 12.013 ( 2.203 -0.146 -2.637) 3.439 12.039 ( 4.453 -2.690 -1.020) 5.301 13.147 ( -1.263 9.391 2.752) 9.867 13.306 ( -1.211 -7.526 2.647) 8.070 13.485 ( 1.302 11.534 -4.864) 12.585 13.655 ( 1.117 -6.957 -5.140) 8.722 15.255 ( 0.787 3.415 1.407) 3.776 15.348 ( 2.050 -6.645 -0.476) 6.971 15.773 ( 1.417 1.989 -4.397) 5.030 15.790 ( 1.138 0.321 -4.799) 4.942 16.245 ( 1.962 0.506 1.168) 2.339 16.254 ( 1.388 -0.609 1.200) 1.934 16.404 ( -2.613 2.869 0.256) 3.889 16.448 ( -5.862 -1.731 -0.223) 6.116 16.957 ( 1.594 0.685 -1.865) 2.547 16.970 ( 0.279 -0.636 -1.865) 1.990 17.266 ( -1.148 4.787 2.952) 5.740 17.349 ( 0.264 -2.378 1.231) 2.691 17.405 ( -1.011 1.483 4.481) 4.827 17.504 ( -1.620 -7.795 7.197) 10.732 17.825 ( 0.005 2.885 -2.245) 3.656 17.897 ( -0.258 -4.728 -1.606) 4.999 18.340 ( 2.410 2.975 1.246) 4.027 18.394 ( 2.854 -3.035 1.868) 4.566 18.460 ( -0.677 1.825 4.972) 5.339 18.490 ( -2.173 -1.344 3.805) 4.584 18.687 ( -2.003 4.113 -2.892) 5.412 18.735 ( -1.669 -0.786 -4.278) 4.658 18.778 ( -1.207 0.419 -2.914) 3.182 18.798 ( 4.353 -1.473 -2.170) 5.082 19.421 ( 0.086 -0.021 0.239) 0.255 19.427 ( 0.096 -0.646 0.496) 0.820 19.489 ( 0.034 1.310 -1.215) 1.787 19.506 ( -0.175 -0.309 -1.169) 1.222 ======================= Grid point 51 (29/48) ======================= q-point: (-0.33 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.490 ( -16.278 12.586 8.078) 22.105 1.657 ( -14.387 -1.658 3.421) 14.881 1.882 ( -18.269 10.570 1.973) 21.199 2.048 ( -17.297 -3.923 0.931) 17.761 2.201 ( -10.297 0.243 -2.446) 10.586 2.255 ( -7.439 -6.528 -0.666) 9.920 2.481 ( -5.534 4.405 -5.548) 8.989 2.524 ( -3.917 0.205 -4.074) 5.655 2.559 ( 1.413 4.884 3.758) 6.322 2.589 ( -3.657 0.890 10.116) 10.793 2.621 ( -7.271 2.002 9.924) 12.465 2.753 ( -2.199 2.068 5.616) 6.376 2.825 ( 2.506 5.197 10.375) 11.872 2.947 ( 9.453 -0.683 7.436) 12.046 2.974 ( 1.629 1.352 -2.908) 3.597 3.010 ( 2.813 -2.245 0.511) 3.635 3.074 ( 4.075 -3.666 -2.681) 6.102 3.123 ( -0.117 -6.780 -0.889) 6.839 3.161 ( -0.765 0.689 1.932) 2.189 3.252 ( -0.715 -2.125 -6.221) 6.613 3.322 ( 3.480 -0.975 -2.381) 4.327 3.338 ( -1.693 -3.427 -6.809) 7.809 3.394 ( 1.825 4.784 3.464) 6.182 3.446 ( 0.504 0.511 -6.641) 6.679 3.492 ( 0.483 1.107 -0.868) 1.488 3.501 ( -0.502 -0.571 1.386) 1.581 3.565 ( 1.257 -1.343 -4.523) 4.883 3.599 ( -0.323 -7.102 -2.119) 7.418 3.643 ( -0.650 0.418 0.480) 0.909 3.691 ( 0.138 -3.444 1.856) 3.914 3.730 ( -1.542 1.251 1.598) 2.549 3.764 ( -1.295 -3.303 2.318) 4.238 3.871 ( -0.947 4.656 2.612) 5.422 3.935 ( 1.420 -1.597 -3.184) 3.835 3.967 ( 3.861 0.283 -5.352) 6.606 4.018 ( 5.006 -2.089 -1.249) 5.566 4.077 ( 0.643 -0.979 4.064) 4.229 4.099 ( -1.446 -0.019 0.610) 1.570 4.147 ( -2.346 -4.607 4.143) 6.625 4.174 ( 1.524 -2.537 3.078) 4.270 4.260 ( 0.122 -1.471 1.777) 2.310 4.279 ( 0.791 -0.417 3.538) 3.649 4.368 ( -0.139 1.368 2.101) 2.511 4.390 ( -1.125 -1.609 3.993) 4.449 4.494 ( 1.747 5.921 3.454) 7.074 4.507 ( 2.285 2.889 -1.139) 3.855 4.591 ( 1.086 0.742 -0.536) 1.421 4.607 ( 3.335 -1.730 0.178) 3.762 4.666 ( -3.545 4.129 3.523) 6.483 4.718 ( 0.365 -2.186 -3.591) 4.220 4.790 ( -0.939 -1.037 0.733) 1.579 4.820 ( 0.035 -3.316 1.280) 3.555 4.831 ( 3.755 2.545 -0.090) 4.537 4.878 ( 5.806 -1.964 2.526) 6.629 4.979 ( 2.393 2.681 -0.183) 3.598 5.041 ( -1.469 -1.911 -0.231) 2.422 5.105 ( 0.133 1.814 0.921) 2.038 5.167 ( -2.454 -2.426 -1.427) 3.734 5.194 ( 3.093 2.862 -2.239) 4.772 5.262 ( 1.044 0.169 0.195) 1.076 5.289 ( 8.486 3.801 -1.199) 9.375 5.340 ( 3.242 -0.148 3.865) 5.047 5.354 ( 3.192 -2.892 -3.684) 5.668 5.382 ( 3.333 -0.355 -1.111) 3.531 5.428 ( -1.514 1.908 -0.379) 2.465 5.468 ( 3.655 1.909 -2.877) 5.027 5.518 ( 0.142 2.373 -2.226) 3.257 5.608 ( 2.621 -2.709 -2.537) 4.544 5.627 ( 6.037 4.378 3.812) 8.375 5.660 ( 2.076 1.363 2.464) 3.499 5.681 ( 0.748 2.527 -3.457) 4.347 5.722 ( 0.431 2.285 -1.378) 2.703 5.748 ( 1.966 -2.336 0.819) 3.161 5.784 ( -2.344 -0.520 -1.775) 2.986 5.872 ( -1.084 -0.601 3.313) 3.537 5.925 ( -1.006 -4.664 -2.848) 5.557 5.946 ( -1.637 0.795 -5.405) 5.703 5.966 ( 0.636 -0.916 0.484) 1.215 6.026 ( -0.046 2.801 -2.987) 4.096 6.062 ( -0.057 5.228 -6.914) 8.668 6.077 ( 1.552 -2.527 -3.677) 4.724 6.153 ( 4.521 -3.463 -4.981) 7.565 6.239 ( 1.193 0.512 4.472) 4.657 6.296 ( 1.788 -4.028 5.523) 7.066 6.321 ( 4.139 5.085 0.419) 6.569 6.375 ( 0.294 0.852 0.155) 0.914 6.442 ( -2.294 3.080 0.509) 3.874 6.502 ( -1.571 -1.423 -1.376) 2.527 6.533 ( 0.747 0.852 0.134) 1.141 6.540 ( 0.378 -0.665 -3.950) 4.023 6.589 ( -0.610 0.612 -3.490) 3.595 6.656 ( 3.131 0.076 -0.647) 3.198 6.665 ( 1.886 -3.821 -5.399) 6.878 6.692 ( 1.891 -3.672 -1.788) 4.500 6.753 ( -0.576 2.629 -3.918) 4.753 6.782 ( 0.795 -0.254 -2.578) 2.709 6.842 ( 2.952 2.023 -3.064) 4.711 6.881 ( 0.262 -1.681 -5.954) 6.192 6.916 ( 3.479 -0.087 -3.959) 5.271 6.968 ( -1.000 -1.791 -3.064) 3.687 7.037 ( 2.078 1.784 -3.557) 4.490 7.093 ( -1.798 -3.118 -2.149) 4.192 7.132 ( -3.100 2.542 -0.854) 4.099 7.206 ( -1.021 -3.625 -0.352) 3.782 7.303 ( -2.837 0.499 3.002) 4.160 7.318 ( 3.969 4.788 -3.833) 7.306 7.373 ( -6.671 -3.144 0.618) 7.400 7.394 ( 3.220 -1.475 -2.177) 4.157 7.477 ( -0.693 -2.246 0.867) 2.505 7.501 ( -0.092 -4.409 2.233) 4.943 7.564 ( 3.943 0.786 4.766) 6.235 7.605 ( 2.963 -1.018 1.505) 3.475 7.617 ( -0.961 3.625 -1.285) 3.964 7.687 ( -0.640 -2.197 0.895) 2.457 7.841 ( 0.460 2.521 3.485) 4.326 7.844 ( 0.590 1.509 3.140) 3.533 7.865 ( 1.548 0.931 6.072) 6.335 7.906 ( -2.881 -1.999 4.403) 5.628 7.973 ( -1.779 2.562 4.245) 5.268 7.993 ( -3.288 2.363 0.958) 4.161 8.009 ( 1.377 1.784 0.745) 2.373 8.075 ( 0.436 -0.095 0.190) 0.485 8.145 ( -5.602 0.445 8.413) 10.117 8.204 ( -3.433 4.825 -2.426) 6.399 8.215 ( -4.523 -1.845 -0.589) 4.920 8.296 ( -1.183 3.762 6.286) 7.421 8.308 ( 0.695 -2.808 0.736) 2.985 8.369 ( -0.820 -2.659 1.782) 3.304 8.476 ( -1.213 0.414 -1.247) 1.789 8.544 ( 2.250 -6.256 0.064) 6.649 8.692 ( -2.479 4.114 4.100) 6.315 8.748 ( -2.458 -2.241 2.013) 3.888 8.813 ( -2.922 3.565 -1.610) 4.883 8.853 ( -3.050 0.698 0.416) 3.156 8.982 ( -2.422 1.318 1.467) 3.124 9.038 ( -4.238 -4.268 4.970) 7.802 9.094 ( -3.741 0.242 2.793) 4.675 9.144 ( 0.325 -1.773 2.202) 2.845 9.167 ( 0.391 4.446 -1.138) 4.606 9.239 ( -2.356 -4.042 -1.986) 5.082 9.310 ( -4.709 2.173 -0.978) 5.278 9.344 ( -2.428 -1.560 0.564) 2.940 9.398 ( 0.922 0.167 1.540) 1.802 9.415 ( 0.071 -1.717 0.610) 1.823 9.497 ( 0.032 3.750 0.789) 3.832 9.555 ( 3.253 -1.480 0.697) 3.641 9.593 ( 1.099 -0.128 -2.976) 3.175 9.639 ( 0.793 -4.976 1.998) 5.421 9.742 ( 0.215 0.747 -1.342) 1.551 9.780 ( -0.468 -2.923 -2.395) 3.807 9.976 ( 0.724 -0.481 2.578) 2.720 10.003 ( 0.339 -3.048 0.758) 3.159 10.093 ( -0.762 1.984 -1.002) 2.350 10.133 ( -0.670 -2.106 -0.704) 2.319 10.351 ( 2.982 3.333 -2.780) 5.266 10.418 ( 3.208 -3.482 -1.613) 5.002 10.504 ( -2.566 4.096 -1.794) 5.156 10.583 ( -0.851 -4.376 -2.121) 4.937 10.710 ( 5.620 3.302 1.911) 6.792 10.773 ( 6.071 -3.485 1.984) 7.276 11.039 ( -9.078 5.309 -0.865) 10.552 11.099 ( -6.376 -0.524 0.210) 6.401 11.318 ( -2.260 1.848 -1.370) 3.225 11.383 ( -4.638 -5.178 -3.248) 7.672 11.538 ( -4.586 1.847 2.789) 5.676 11.558 ( -1.585 0.552 3.491) 3.874 11.597 ( -3.930 3.551 1.059) 5.401 11.689 ( -2.047 -5.197 -1.245) 5.722 11.792 ( 1.542 4.482 -0.400) 4.756 11.878 ( 0.611 -4.290 -0.358) 4.348 12.100 ( 7.646 5.597 -2.722) 9.859 12.201 ( 10.486 -5.175 -0.384) 11.700 13.144 ( -0.786 9.531 2.898) 9.993 13.305 ( -0.616 -7.491 2.814) 8.025 13.517 ( 5.198 10.520 -5.494) 12.956 13.669 ( 3.565 -6.149 -5.308) 8.871 15.254 ( -1.752 4.440 1.200) 4.922 15.368 ( 0.170 -7.641 -0.675) 7.673 15.740 ( -1.665 1.623 -5.986) 6.422 15.752 ( -1.506 0.306 -6.191) 6.379 16.253 ( -2.736 0.675 -0.636) 2.889 16.268 ( -1.367 -0.923 -0.311) 1.678 16.398 ( 2.113 1.237 2.907) 3.800 16.405 ( 2.349 0.694 3.010) 3.881 16.957 ( 0.096 1.402 -1.861) 2.332 16.979 ( 1.155 -0.877 -1.229) 1.901 17.248 ( -2.779 7.025 3.579) 8.359 17.372 ( 1.265 -2.901 1.576) 3.536 17.396 ( -2.109 -0.341 2.807) 3.528 17.492 ( -4.763 -10.133 8.014) 13.769 17.809 ( -0.005 3.490 -2.412) 4.242 17.880 ( -0.517 -4.051 -1.258) 4.273 18.331 ( -3.526 2.868 -0.070) 4.546 18.389 ( -3.273 -3.270 -0.230) 4.632 18.458 ( -3.346 0.845 3.812) 5.142 18.469 ( -1.866 -0.246 5.339) 5.661 18.658 ( 0.359 2.646 -1.354) 2.994 18.702 ( 1.527 -2.044 -1.481) 2.950 18.865 ( 11.140 5.822 -3.097) 12.946 18.941 ( 10.907 -2.763 -2.946) 11.631 19.426 ( 0.118 0.266 0.146) 0.325 19.435 ( 0.235 -0.722 0.498) 0.908 19.479 ( -0.207 0.954 -1.258) 1.592 19.493 ( -0.228 -0.389 -1.279) 1.356 ======================= Grid point 52 (30/48) ======================= q-point: (-0.17 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.247 ( -15.382 18.125 8.767) 25.337 1.389 ( -13.912 15.740 15.877) 26.332 1.608 ( -11.665 -12.356 9.983) 19.708 1.717 ( -14.753 -12.750 6.503) 20.555 2.015 ( -6.146 8.953 -4.469) 11.743 2.088 ( -9.092 -4.010 3.693) 10.601 2.186 ( -15.805 24.052 8.938) 30.136 2.444 ( -2.691 -2.537 -1.905) 4.160 2.532 ( -0.756 2.127 1.976) 3.000 2.570 ( -3.039 1.494 4.562) 5.681 2.614 ( -2.584 -2.362 6.209) 7.128 2.738 ( -2.675 -11.435 3.196) 12.171 2.874 ( -1.499 6.904 1.344) 7.192 2.996 ( -0.132 -0.303 -0.107) 0.347 3.016 ( -2.995 -0.013 2.292) 3.771 3.101 ( 2.693 -2.527 1.363) 3.936 3.157 ( 2.341 -0.907 0.818) 2.640 3.173 ( -1.007 0.371 -0.746) 1.307 3.185 ( 6.761 -3.493 -6.704) 10.142 3.243 ( 0.423 -0.163 -3.382) 3.412 3.278 ( 0.035 -2.963 3.481) 4.571 3.287 ( -5.764 -2.988 0.063) 6.493 3.418 ( 1.963 -1.069 -6.401) 6.781 3.430 ( 1.030 0.308 1.382) 1.751 3.472 ( 0.343 -0.939 -2.687) 2.866 3.508 ( 1.897 -5.165 -6.188) 8.281 3.598 ( 1.737 1.599 0.166) 2.366 3.635 ( 2.666 2.179 2.370) 4.180 3.700 ( 0.652 2.205 2.935) 3.728 3.733 ( 5.369 2.473 -2.748) 6.519 3.759 ( 4.761 -3.369 -0.844) 5.893 3.799 ( 4.767 -3.527 -1.954) 6.244 3.875 ( -0.004 -0.070 3.743) 3.743 3.947 ( -2.372 -5.066 1.265) 5.735 4.031 ( 6.130 -0.446 -5.004) 7.925 4.060 ( 0.282 -2.375 0.332) 2.414 4.110 ( 0.726 0.111 -0.647) 0.978 4.139 ( 3.757 0.276 0.158) 3.770 4.148 ( 1.781 0.281 -1.272) 2.206 4.209 ( 3.052 -4.251 0.451) 5.252 4.287 ( -1.121 2.039 -0.422) 2.365 4.321 ( 3.217 -1.678 -1.304) 3.856 4.394 ( -0.503 2.679 5.534) 6.169 4.410 ( 1.325 1.040 2.794) 3.263 4.516 ( -3.616 1.989 -6.135) 7.394 4.539 ( -0.892 2.044 -1.679) 2.791 4.578 ( 2.010 2.122 2.862) 4.090 4.612 ( -3.130 5.190 -0.132) 6.062 4.626 ( 2.613 -2.327 -2.023) 4.042 4.712 ( -0.172 -2.076 2.692) 3.404 4.784 ( -4.726 -3.024 -0.579) 5.640 4.822 ( -0.191 -5.711 6.391) 8.573 4.868 ( 3.856 3.046 2.839) 5.675 4.921 ( -0.731 -3.179 -2.407) 4.053 4.983 ( -3.264 5.378 -3.501) 7.199 5.048 ( -0.621 1.131 -0.512) 1.388 5.094 ( 0.564 3.113 3.098) 4.427 5.127 ( 2.307 -0.126 -1.720) 2.881 5.208 ( 1.863 -0.004 -1.038) 2.133 5.259 ( 0.903 -2.775 -2.184) 3.645 5.344 ( 1.010 2.115 2.088) 3.139 5.364 ( -3.347 3.286 -2.565) 5.345 5.393 ( 0.164 -1.034 1.208) 1.599 5.435 ( 1.501 1.695 -3.487) 4.158 5.484 ( 3.069 -2.182 -2.655) 4.608 5.523 ( 3.137 1.278 -2.217) 4.048 5.569 ( 5.648 2.178 -0.411) 6.067 5.605 ( 1.525 3.502 -1.271) 4.026 5.633 ( -1.177 2.472 -0.514) 2.786 5.692 ( 2.420 -3.121 -4.676) 6.121 5.741 ( 0.597 -0.713 0.562) 1.086 5.744 ( -0.194 -2.169 -3.888) 4.456 5.794 ( 3.981 0.763 1.360) 4.276 5.839 ( 0.509 2.137 1.544) 2.685 5.850 ( 2.439 0.128 -2.335) 3.379 5.877 ( 0.968 0.841 -0.144) 1.290 5.912 ( -1.067 -2.556 -0.129) 2.773 5.923 ( -2.058 -0.950 -1.519) 2.728 5.985 ( -0.490 0.322 0.232) 0.630 6.061 ( -0.236 -2.395 1.084) 2.639 6.133 ( 1.024 -1.780 0.517) 2.117 6.144 ( -1.803 -1.055 -3.786) 4.323 6.275 ( -1.271 0.690 2.883) 3.226 6.287 ( -3.200 -0.893 1.813) 3.785 6.367 ( -0.833 3.918 -1.975) 4.466 6.399 ( 0.210 -0.044 2.238) 2.249 6.463 ( 1.940 2.345 -2.191) 3.750 6.483 ( -0.090 0.323 -0.866) 0.928 6.528 ( 4.838 -1.122 -1.598) 5.217 6.561 ( 2.266 -3.733 3.728) 5.742 6.642 ( 3.064 1.716 0.494) 3.547 6.683 ( 0.668 -1.268 -3.867) 4.124 6.721 ( 2.885 0.818 -1.545) 3.374 6.749 ( 4.853 2.247 -2.410) 5.866 6.783 ( 5.328 -1.659 -4.656) 7.268 6.822 ( 4.083 -0.719 -0.933) 4.250 6.850 ( 0.890 0.200 -0.589) 1.085 6.877 ( 2.392 2.735 -2.155) 4.225 6.915 ( 6.167 -5.794 -2.358) 8.784 6.988 ( 1.719 -2.643 -0.467) 3.187 7.059 ( 4.139 2.794 -2.972) 5.811 7.089 ( -0.620 -1.087 -1.717) 2.125 7.153 ( -1.163 0.808 -1.462) 2.036 7.166 ( 2.224 -0.324 0.203) 2.256 7.244 ( -4.601 0.365 -1.293) 4.793 7.316 ( 1.871 -3.706 4.226) 5.924 7.374 ( 1.532 1.623 -1.016) 2.452 7.439 ( 0.853 -4.971 -3.894) 6.372 7.456 ( -1.454 2.976 3.817) 5.054 7.520 ( -1.771 -0.403 3.965) 4.362 7.546 ( -2.943 2.301 -1.340) 3.969 7.627 ( -2.823 -4.841 1.249) 5.741 7.668 ( -1.191 2.488 3.082) 4.136 7.715 ( -2.513 -2.396 2.481) 4.268 7.759 ( 3.718 4.222 -0.696) 5.669 7.806 ( 1.566 0.866 -0.545) 1.871 7.916 ( -1.979 5.484 1.332) 5.980 7.950 ( 1.759 5.755 2.614) 6.561 7.985 ( 2.913 0.187 4.450) 5.322 8.010 ( 0.217 -2.881 4.046) 4.972 8.018 ( -1.943 2.833 3.076) 4.611 8.078 ( -0.526 -0.829 1.546) 1.832 8.088 ( -5.110 1.169 8.514) 9.998 8.136 ( -2.161 -2.535 1.756) 3.766 8.223 ( 3.205 0.388 -0.045) 3.229 8.249 ( -0.407 -1.240 -0.356) 1.353 8.352 ( -1.523 -1.774 1.135) 2.598 8.379 ( 1.407 -3.399 0.424) 3.703 8.441 ( -2.572 3.635 0.618) 4.496 8.494 ( -10.130 -1.930 -1.276) 10.391 8.621 ( -7.457 0.326 1.551) 7.624 8.677 ( -3.873 -3.438 0.758) 5.235 8.697 ( -3.358 6.452 -1.138) 7.362 8.794 ( -2.922 -3.528 -0.879) 4.665 8.883 ( -9.194 -2.651 4.265) 10.476 8.935 ( -6.726 -6.379 1.509) 9.392 9.039 ( -2.550 3.611 -4.623) 6.396 9.086 ( -2.936 -0.673 -3.899) 4.927 9.136 ( -1.039 2.608 -0.174) 2.812 9.191 ( -1.082 -3.218 1.223) 3.608 9.306 ( 3.026 4.260 2.135) 5.645 9.356 ( 1.979 -0.896 1.225) 2.494 9.424 ( -0.219 -0.269 2.154) 2.181 9.441 ( -0.412 -1.412 3.377) 3.684 9.525 ( 1.890 5.738 -0.216) 6.045 9.590 ( 1.728 -0.819 -0.179) 1.920 9.612 ( -0.655 -0.728 -0.966) 1.375 9.675 ( 3.451 -4.945 -0.410) 6.044 9.760 ( 1.263 0.843 2.519) 2.941 9.799 ( 1.306 -4.214 0.932) 4.509 9.968 ( -2.402 -0.524 -0.997) 2.653 9.978 ( -2.439 -1.598 -0.457) 2.952 10.077 ( 0.383 1.993 -0.654) 2.132 10.110 ( -0.142 -0.864 0.242) 0.909 10.350 ( -3.174 0.445 -0.499) 3.244 10.374 ( -2.968 -1.808 3.627) 5.024 10.464 ( 0.958 4.311 -7.543) 8.741 10.553 ( 1.625 -4.965 -8.870) 10.294 10.818 ( -1.118 2.469 0.174) 2.716 10.878 ( -2.287 -4.082 -0.615) 4.719 10.978 ( 5.348 4.178 6.364) 9.303 11.029 ( 4.046 -0.779 4.076) 5.795 11.242 ( -4.812 1.772 0.568) 5.159 11.292 ( -2.786 -3.332 -3.624) 5.656 11.440 ( -6.656 2.748 3.449) 7.985 11.473 ( -6.862 -0.551 2.578) 7.351 11.576 ( -0.566 1.099 0.935) 1.550 11.631 ( -1.681 -4.556 -1.740) 5.159 11.838 ( 2.235 4.804 1.130) 5.417 11.917 ( 2.301 -3.633 1.953) 4.723 12.232 ( 7.206 9.704 -4.621) 12.940 12.375 ( 7.128 -6.027 -2.517) 9.668 13.152 ( -0.518 9.782 3.482) 10.397 13.315 ( -0.370 -7.510 3.254) 8.193 13.603 ( 7.063 8.273 -7.606) 13.273 13.715 ( 4.193 -4.380 -5.638) 8.280 15.213 ( -2.223 5.960 -0.267) 6.367 15.340 ( -1.917 -7.026 -3.425) 8.048 15.646 ( -2.466 2.472 -7.063) 7.879 15.676 ( -2.018 -0.776 -5.082) 5.523 16.205 ( -1.049 1.693 0.030) 1.992 16.240 ( -0.456 -2.068 0.131) 2.121 16.467 ( 1.234 2.094 4.623) 5.223 16.497 ( 2.552 -0.780 5.092) 5.749 16.963 ( 2.029 2.966 -0.620) 3.647 17.007 ( 2.737 -1.439 0.061) 3.093 17.192 ( -5.390 7.753 3.587) 10.101 17.358 ( -3.859 -4.967 0.445) 6.305 17.406 ( -0.638 -5.117 4.231) 6.670 17.434 ( -3.409 -4.865 5.677) 8.216 17.802 ( 0.520 3.236 -1.262) 3.512 17.867 ( -0.158 -3.602 -0.263) 3.615 18.248 ( -3.330 2.901 -2.418) 5.035 18.302 ( -3.659 -2.919 -3.356) 5.759 18.425 ( -2.157 1.935 3.298) 4.389 18.463 ( -1.733 -2.195 4.626) 5.406 18.673 ( 0.964 4.306 1.566) 4.682 18.749 ( 2.274 -3.822 1.339) 4.645 19.099 ( 12.949 3.364 -4.450) 14.100 19.129 ( 9.294 -0.596 -4.689) 10.427 19.422 ( -0.471 0.485 -0.190) 0.702 19.434 ( -0.529 -0.742 0.216) 0.936 19.472 ( 0.157 0.684 -0.624) 0.939 19.486 ( 0.206 -0.682 -0.610) 0.938 ======================= Grid point 65 (31/48) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( -0.230 0.000 24.100) 24.101 1.202 ( 5.945 0.000 21.444) 22.252 1.673 ( 1.361 0.000 -10.920) 11.004 1.763 ( -4.591 0.000 -16.210) 16.848 2.077 ( 6.603 0.000 18.157) 19.320 2.211 ( -1.320 0.000 15.825) 15.880 2.324 ( -3.944 0.000 -6.950) 7.991 2.466 ( -2.431 0.000 30.898) 30.993 2.474 ( 0.473 0.000 -6.848) 6.865 2.632 ( -3.036 0.000 -4.060) 5.070 2.666 ( -0.976 0.000 5.767) 5.849 2.762 ( -2.073 0.000 13.574) 13.731 2.814 ( -0.023 0.000 -1.813) 1.813 2.916 ( 1.348 0.000 -0.782) 1.558 2.948 ( -4.529 0.000 1.494) 4.769 2.970 ( 5.855 0.000 -1.593) 6.068 3.122 ( -1.836 0.000 3.378) 3.845 3.132 ( 2.449 0.000 -11.253) 11.516 3.215 ( -1.718 0.000 0.565) 1.809 3.273 ( -2.170 0.000 -13.137) 13.315 3.361 ( 1.270 0.000 -1.364) 1.863 3.367 ( -3.737 0.000 -3.142) 4.882 3.445 ( -4.556 0.000 -5.580) 7.204 3.472 ( 0.709 0.000 2.368) 2.472 3.525 ( 4.211 0.000 -2.587) 4.942 3.572 ( 0.342 0.000 -1.382) 1.424 3.577 ( -0.536 0.000 -1.780) 1.859 3.630 ( -2.286 0.000 -0.847) 2.438 3.668 ( 5.263 0.000 -1.109) 5.378 3.691 ( -1.980 0.000 -0.883) 2.168 3.717 ( -2.359 0.000 -1.146) 2.623 3.753 ( -3.096 0.000 -6.178) 6.910 3.902 ( -5.272 0.000 -0.198) 5.276 3.927 ( 3.257 0.000 -5.282) 6.205 3.964 ( 4.916 0.000 -1.950) 5.288 3.994 ( 7.800 0.000 -0.633) 7.826 4.067 ( -8.889 0.000 5.624) 10.519 4.161 ( 5.290 0.000 -5.235) 7.442 4.229 ( -2.223 0.000 4.717) 5.215 4.247 ( 5.482 0.000 3.833) 6.689 4.268 ( -0.817 0.000 -2.118) 2.270 4.346 ( -1.807 0.000 2.546) 3.122 4.377 ( 9.513 0.000 -5.885) 11.186 4.435 ( -9.354 0.000 -3.313) 9.923 4.484 ( 4.872 0.000 -0.037) 4.872 4.541 ( -1.767 0.000 -3.917) 4.297 4.550 ( -0.992 0.000 0.481) 1.102 4.603 ( 0.276 0.000 -1.224) 1.255 4.629 ( -4.743 0.000 0.971) 4.841 4.672 ( 4.065 0.000 -0.412) 4.086 4.742 ( -1.689 0.000 1.214) 2.080 4.785 ( 1.493 0.000 -0.012) 1.493 4.870 ( 3.175 0.000 7.231) 7.897 4.972 ( -7.084 0.000 2.561) 7.532 4.998 ( 6.798 0.000 0.035) 6.798 5.037 ( -4.190 0.000 -3.522) 5.474 5.115 ( -1.722 0.000 5.029) 5.316 5.155 ( -0.384 0.000 -0.682) 0.783 5.166 ( -3.615 0.000 1.763) 4.022 5.258 ( -1.472 0.000 -6.687) 6.847 5.274 ( -2.403 0.000 1.991) 3.120 5.364 ( 4.305 0.000 8.246) 9.302 5.382 ( 0.238 0.000 -5.850) 5.855 5.421 ( 0.298 0.000 0.270) 0.402 5.459 ( 5.031 0.000 -3.053) 5.885 5.504 ( 1.250 0.000 -0.832) 1.502 5.529 ( -1.946 0.000 -6.149) 6.449 5.552 ( 1.670 0.000 -3.826) 4.175 5.662 ( -1.886 0.000 2.699) 3.293 5.670 ( -3.717 0.000 3.185) 4.895 5.704 ( 0.477 0.000 -0.391) 0.617 5.719 ( -1.599 0.000 9.170) 9.309 5.756 ( 4.653 0.000 -6.379) 7.896 5.875 ( 0.954 0.000 -3.874) 3.990 5.885 ( 3.838 0.000 2.711) 4.699 5.993 ( 2.570 0.000 11.803) 12.080 6.015 ( -3.960 0.000 -8.440) 9.323 6.046 ( 7.852 0.000 2.625) 8.279 6.062 ( -4.176 0.000 2.325) 4.780 6.147 ( 8.440 0.000 7.727) 11.443 6.162 ( -6.702 0.000 1.289) 6.825 6.219 ( -8.134 0.000 1.843) 8.340 6.259 ( -2.894 0.000 -9.366) 9.803 6.265 ( 0.131 0.000 -3.425) 3.427 6.319 ( 6.128 0.000 -3.989) 7.312 6.365 ( 0.924 0.000 2.651) 2.807 6.436 ( -5.473 0.000 -0.982) 5.560 6.497 ( 0.578 0.000 -1.780) 1.872 6.551 ( 0.213 0.000 1.950) 1.962 6.623 ( -1.902 0.000 -3.794) 4.244 6.647 ( 2.044 0.000 0.168) 2.051 6.675 ( 3.029 0.000 -0.701) 3.109 6.691 ( 0.130 0.000 -6.755) 6.756 6.732 ( -1.804 0.000 -4.924) 5.244 6.769 ( -4.133 0.000 0.463) 4.159 6.788 ( 8.938 0.000 -0.377) 8.946 6.842 ( 4.082 0.000 3.805) 5.580 6.906 ( -4.841 0.000 -2.362) 5.386 6.945 ( 1.100 0.000 2.072) 2.346 6.999 ( 4.265 0.000 -4.342) 6.086 7.069 ( -4.905 0.000 2.342) 5.435 7.134 ( -4.441 0.000 -3.882) 5.899 7.168 ( -2.147 0.000 -0.212) 2.157 7.214 ( 3.746 0.000 -0.853) 3.842 7.274 ( 2.273 0.000 2.447) 3.340 7.336 ( -0.610 0.000 -2.962) 3.024 7.349 ( -0.175 0.000 2.337) 2.344 7.378 ( -0.720 0.000 -1.040) 1.265 7.403 ( 1.959 0.000 -1.076) 2.235 7.441 ( -1.182 0.000 -4.627) 4.776 7.531 ( 4.511 0.000 2.453) 5.135 7.544 ( -3.024 0.000 0.808) 3.130 7.684 ( 3.773 0.000 1.974) 4.258 7.689 ( -5.669 0.000 1.893) 5.977 7.789 ( -0.476 0.000 3.760) 3.790 7.791 ( 0.129 0.000 5.074) 5.076 7.916 ( -3.820 0.000 3.736) 5.343 7.956 ( 7.676 0.000 -0.468) 7.690 7.992 ( -4.331 0.000 -0.843) 4.412 8.008 ( 0.146 0.000 -4.770) 4.772 8.155 ( -3.383 0.000 0.264) 3.393 8.197 ( -2.876 0.000 6.048) 6.697 8.205 ( 0.763 0.000 -3.722) 3.800 8.258 ( 2.641 0.000 1.248) 2.921 8.310 ( -7.261 0.000 2.980) 7.849 8.333 ( -0.560 0.000 4.393) 4.429 8.381 ( 2.239 0.000 -0.891) 2.410 8.385 ( 5.695 0.000 -3.593) 6.734 8.498 ( -1.089 0.000 9.348) 9.411 8.532 ( -4.091 0.000 2.514) 4.802 8.575 ( 9.059 0.000 1.389) 9.165 8.615 ( -1.971 0.000 -0.548) 2.046 8.659 ( 3.877 0.000 -2.131) 4.424 8.699 ( -7.732 0.000 -2.263) 8.056 8.756 ( -0.404 0.000 -1.391) 1.449 8.759 ( -4.901 0.000 -4.773) 6.841 8.991 ( 0.449 0.000 5.335) 5.354 9.106 ( 0.358 0.000 -0.511) 0.624 9.108 ( 1.421 0.000 -3.196) 3.498 9.117 ( -2.037 0.000 -3.423) 3.983 9.182 ( -1.042 0.000 1.559) 1.875 9.229 ( -2.028 0.000 -2.852) 3.500 9.453 ( 0.804 0.000 2.190) 2.333 9.486 ( -2.020 0.000 4.851) 5.255 9.547 ( -1.874 0.000 -6.198) 6.475 9.576 ( 0.717 0.000 -3.422) 3.496 9.632 ( 2.148 0.000 7.382) 7.688 9.778 ( -2.529 0.000 -6.636) 7.102 9.813 ( 0.790 0.000 5.051) 5.113 9.924 ( -0.129 0.000 3.577) 3.579 9.936 ( 2.544 0.000 -5.211) 5.799 9.986 ( 0.955 0.000 -3.637) 3.761 10.079 ( -2.956 0.000 8.080) 8.603 10.118 ( -3.089 0.000 6.320) 7.035 10.230 ( 4.424 0.000 -8.243) 9.355 10.333 ( 0.276 0.000 -11.448) 11.451 10.515 ( 3.388 0.000 8.065) 8.748 10.661 ( -3.795 0.000 -6.314) 7.366 10.904 ( -3.467 0.000 6.661) 7.510 11.029 ( 3.658 0.000 -4.082) 5.481 11.094 ( 2.327 0.000 4.111) 4.724 11.120 ( 3.354 0.000 1.384) 3.629 11.294 ( -9.211 0.000 1.099) 9.276 11.335 ( 6.524 0.000 -3.235) 7.282 11.432 ( -1.784 0.000 4.167) 4.532 11.521 ( 1.797 0.000 -3.137) 3.615 11.561 ( -2.132 0.000 6.255) 6.609 11.619 ( 9.774 0.000 -0.515) 9.788 11.709 ( -2.457 0.000 0.808) 2.586 11.776 ( 2.227 0.000 -4.611) 5.121 12.219 ( 2.382 0.000 8.497) 8.825 12.388 ( -2.861 0.000 -7.213) 7.760 13.000 ( -1.381 0.000 4.570) 4.774 13.096 ( 1.424 0.000 -4.289) 4.519 13.569 ( -1.784 0.000 5.296) 5.588 13.691 ( 2.047 0.000 -5.966) 6.308 15.085 ( 2.116 0.000 1.510) 2.599 15.114 ( -1.723 0.000 -1.091) 2.039 15.615 ( 0.466 0.000 0.182) 0.500 15.632 ( 0.777 0.000 -1.462) 1.656 16.199 ( 1.065 0.000 1.837) 2.123 16.241 ( -1.296 0.000 -2.067) 2.439 16.547 ( -4.363 0.000 4.791) 6.479 16.647 ( 6.186 0.000 -4.661) 7.746 16.963 ( -6.317 0.000 2.400) 6.757 16.987 ( 8.909 0.000 0.459) 8.921 17.211 ( 4.016 0.000 3.726) 5.478 17.294 ( -5.167 0.000 -3.942) 6.499 17.501 ( -2.624 0.000 -1.262) 2.912 17.502 ( 0.438 0.000 -0.925) 1.024 17.977 ( -2.412 0.000 5.261) 5.788 18.071 ( 1.693 0.000 -3.766) 4.129 18.143 ( 3.413 0.000 -0.076) 3.414 18.159 ( -4.805 0.000 -1.881) 5.160 18.432 ( -1.227 0.000 3.753) 3.949 18.512 ( 1.163 0.000 -3.501) 3.689 18.780 ( -0.444 0.000 9.917) 9.927 18.925 ( -1.331 0.000 3.041) 3.320 18.990 ( 0.924 0.000 -9.242) 9.288 19.009 ( 0.629 0.000 -4.002) 4.051 19.408 ( 0.928 0.000 -0.046) 0.929 19.416 ( -1.490 0.000 -0.795) 1.689 19.485 ( 0.731 0.000 1.062) 1.289 19.500 ( -0.790 0.000 -0.321) 0.853 ======================= Grid point 66 (32/48) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.400 ( 11.145 0.000 13.595) 17.580 1.516 ( 13.017 0.000 1.814) 13.143 1.687 ( 6.908 0.000 -5.728) 8.974 1.767 ( 12.768 0.000 -6.105) 14.153 2.204 ( -1.784 0.000 -12.034) 12.166 2.234 ( -0.206 0.000 5.605) 5.609 2.339 ( 3.367 0.000 14.909) 15.284 2.488 ( 5.424 0.000 -9.007) 10.514 2.552 ( -3.617 0.000 1.604) 3.957 2.600 ( -1.830 0.000 17.316) 17.413 2.691 ( 2.571 0.000 4.426) 5.118 2.758 ( -4.552 0.000 1.140) 4.693 2.874 ( -0.659 0.000 24.331) 24.340 2.917 ( 0.569 0.000 0.422) 0.709 2.985 ( -8.791 0.000 -6.163) 10.736 3.002 ( 5.186 0.000 -1.395) 5.371 3.078 ( 5.677 0.000 4.502) 7.246 3.182 ( 3.138 0.000 -13.018) 13.390 3.195 ( -4.107 0.000 -3.082) 5.135 3.208 ( 2.836 0.000 8.891) 9.333 3.283 ( 8.783 0.000 -12.485) 15.264 3.365 ( 2.578 0.000 4.419) 5.116 3.477 ( 1.394 0.000 2.901) 3.218 3.485 ( -2.337 0.000 -2.821) 3.663 3.509 ( -4.489 0.000 1.405) 4.704 3.522 ( -4.180 0.000 -5.371) 6.806 3.542 ( 2.274 0.000 -0.815) 2.415 3.601 ( 3.942 0.000 -3.339) 5.167 3.653 ( -4.244 0.000 -2.057) 4.716 3.719 ( 0.221 0.000 4.342) 4.347 3.756 ( 2.765 0.000 0.560) 2.821 3.762 ( 3.926 0.000 7.751) 8.689 3.848 ( -0.568 0.000 -4.312) 4.349 3.884 ( -1.888 0.000 -7.979) 8.200 3.929 ( -2.749 0.000 -0.794) 2.862 4.030 ( 0.206 0.000 0.227) 0.307 4.120 ( 5.394 0.000 -5.781) 7.907 4.155 ( -5.210 0.000 -2.776) 5.904 4.209 ( -1.442 0.000 3.971) 4.225 4.221 ( -5.949 0.000 -1.148) 6.059 4.273 ( 6.571 0.000 -1.397) 6.718 4.304 ( -3.033 0.000 -0.513) 3.076 4.363 ( -1.378 0.000 8.587) 8.697 4.399 ( -4.740 0.000 -5.224) 7.054 4.498 ( 7.120 0.000 -8.484) 11.076 4.559 ( 0.254 0.000 4.408) 4.415 4.599 ( -1.247 0.000 -0.285) 1.279 4.626 ( 1.524 0.000 0.504) 1.605 4.642 ( 8.440 0.000 -1.309) 8.541 4.747 ( -0.183 0.000 0.477) 0.511 4.778 ( 5.393 0.000 3.437) 6.395 4.791 ( 0.011 0.000 -0.256) 0.256 4.846 ( -4.080 0.000 0.872) 4.173 4.962 ( -1.152 0.000 7.477) 7.565 4.996 ( 0.178 0.000 -0.930) 0.946 5.023 ( -10.022 0.000 4.739) 11.086 5.083 ( -6.140 0.000 -1.552) 6.333 5.123 ( -1.894 0.000 1.488) 2.409 5.154 ( -0.666 0.000 3.377) 3.443 5.207 ( -2.903 0.000 1.142) 3.119 5.212 ( 7.124 0.000 -2.287) 7.482 5.319 ( -3.743 0.000 -4.889) 6.157 5.367 ( -0.606 0.000 -1.630) 1.739 5.424 ( -1.197 0.000 -4.658) 4.809 5.482 ( -3.339 0.000 -2.408) 4.117 5.503 ( -0.105 0.000 2.018) 2.020 5.524 ( -0.912 0.000 -4.687) 4.775 5.551 ( 0.925 0.000 2.781) 2.931 5.635 ( -8.504 0.000 3.028) 9.027 5.635 ( -3.336 0.000 -0.281) 3.347 5.678 ( 0.652 0.000 2.555) 2.637 5.705 ( 0.312 0.000 1.997) 2.021 5.744 ( -7.917 0.000 -4.430) 9.072 5.790 ( -7.264 0.000 2.671) 7.739 5.849 ( 1.536 0.000 -7.642) 7.795 5.959 ( -2.588 0.000 -3.539) 4.384 5.960 ( -1.415 0.000 3.563) 3.834 6.033 ( 2.339 0.000 7.826) 8.168 6.091 ( 0.110 0.000 -5.913) 5.914 6.095 ( -2.296 0.000 5.023) 5.523 6.198 ( -0.746 0.000 2.020) 2.153 6.233 ( 1.804 0.000 -3.448) 3.891 6.255 ( -0.178 0.000 -1.300) 1.312 6.264 ( -7.243 0.000 -12.482) 14.431 6.289 ( -3.912 0.000 -2.782) 4.801 6.365 ( -3.443 0.000 0.440) 3.471 6.421 ( 9.239 0.000 5.104) 10.556 6.501 ( 0.735 0.000 4.377) 4.439 6.534 ( -3.091 0.000 -2.057) 3.713 6.542 ( -2.784 0.000 4.933) 5.664 6.592 ( -8.732 0.000 -5.215) 10.171 6.700 ( -0.301 0.000 0.558) 0.634 6.706 ( 3.393 0.000 -1.833) 3.857 6.747 ( 4.865 0.000 -0.391) 4.881 6.759 ( 5.993 0.000 -3.160) 6.775 6.829 ( -4.295 0.000 -0.325) 4.307 6.907 ( 3.927 0.000 -3.691) 5.390 6.908 ( -0.238 0.000 -2.987) 2.997 6.927 ( 0.546 0.000 -3.947) 3.984 6.997 ( -1.125 0.000 3.362) 3.545 7.040 ( -0.142 0.000 -1.734) 1.740 7.082 ( -4.295 0.000 2.209) 4.830 7.116 ( 1.042 0.000 3.571) 3.720 7.185 ( -8.939 0.000 -0.127) 8.940 7.263 ( 1.173 0.000 -4.725) 4.869 7.310 ( -2.882 0.000 -0.818) 2.995 7.354 ( 1.234 0.000 -0.679) 1.408 7.367 ( -0.845 0.000 -2.186) 2.344 7.374 ( -4.429 0.000 1.238) 4.599 7.425 ( 3.738 0.000 0.061) 3.739 7.522 ( -3.014 0.000 3.087) 4.314 7.584 ( 6.129 0.000 1.231) 6.251 7.620 ( 2.922 0.000 2.141) 3.622 7.751 ( 0.904 0.000 2.107) 2.293 7.781 ( -7.765 0.000 0.761) 7.802 7.878 ( 2.529 0.000 3.182) 4.065 7.899 ( 4.285 0.000 -0.586) 4.325 7.940 ( -0.501 0.000 0.768) 0.917 7.953 ( -2.957 0.000 -2.558) 3.909 8.059 ( -3.729 0.000 1.247) 3.932 8.086 ( 2.419 0.000 1.397) 2.793 8.174 ( 0.456 0.000 -0.301) 0.546 8.227 ( -4.445 0.000 5.968) 7.442 8.237 ( 0.593 0.000 1.786) 1.882 8.297 ( -2.229 0.000 2.700) 3.501 8.362 ( 1.017 0.000 -5.386) 5.481 8.381 ( 0.559 0.000 1.409) 1.516 8.400 ( -0.837 0.000 4.468) 4.546 8.580 ( 5.090 0.000 0.950) 5.178 8.591 ( 3.017 0.000 1.149) 3.228 8.625 ( 10.082 0.000 0.351) 10.088 8.668 ( 1.527 0.000 -0.788) 1.718 8.676 ( -0.729 0.000 -4.462) 4.521 8.778 ( 6.083 0.000 3.395) 6.967 8.799 ( 5.369 0.000 -0.864) 5.439 8.854 ( 8.470 0.000 5.442) 10.068 9.030 ( -1.890 0.000 -4.076) 4.493 9.034 ( 0.767 0.000 4.427) 4.493 9.065 ( -4.859 0.000 0.355) 4.872 9.131 ( 4.314 0.000 -0.132) 4.316 9.233 ( 3.615 0.000 4.271) 5.596 9.302 ( 10.570 0.000 -1.351) 10.656 9.445 ( -2.488 0.000 3.248) 4.092 9.494 ( -2.520 0.000 -3.277) 4.134 9.524 ( 1.227 0.000 5.072) 5.218 9.542 ( 3.006 0.000 -1.668) 3.438 9.702 ( -0.195 0.000 7.560) 7.563 9.706 ( -1.545 0.000 -5.777) 5.980 9.854 ( 0.267 0.000 4.726) 4.734 9.907 ( -0.377 0.000 -7.856) 7.865 9.931 ( -1.597 0.000 1.678) 2.317 9.995 ( -7.165 0.000 2.493) 7.586 10.015 ( 2.136 0.000 -4.693) 5.157 10.161 ( 1.059 0.000 10.667) 10.720 10.188 ( -1.758 0.000 -6.504) 6.737 10.259 ( -1.743 0.000 -7.336) 7.540 10.574 ( -0.986 0.000 -6.150) 6.229 10.642 ( 4.206 0.000 6.649) 7.868 10.859 ( -5.362 0.000 5.750) 7.862 10.978 ( -10.280 0.000 -4.773) 11.335 11.059 ( -0.177 0.000 -5.013) 5.016 11.096 ( -0.464 0.000 -0.909) 1.021 11.295 ( 6.200 0.000 2.393) 6.645 11.415 ( -2.389 0.000 3.213) 4.003 11.437 ( -0.771 0.000 1.105) 1.348 11.478 ( 4.087 0.000 -2.663) 4.878 11.571 ( 0.672 0.000 3.302) 3.369 11.702 ( 0.183 0.000 3.069) 3.074 11.739 ( 2.459 0.000 -8.136) 8.499 11.912 ( 11.604 0.000 -7.693) 13.922 12.239 ( -7.210 0.000 -6.907) 9.985 12.266 ( -3.092 0.000 8.085) 8.656 12.999 ( -1.453 0.000 4.244) 4.486 13.088 ( 0.559 0.000 -4.306) 4.342 13.559 ( -2.585 0.000 5.260) 5.861 13.685 ( 1.167 0.000 -6.164) 6.274 15.122 ( 2.882 0.000 -0.040) 2.882 15.201 ( 8.306 0.000 -1.376) 8.420 15.637 ( 1.611 0.000 -1.203) 2.011 15.642 ( 1.359 0.000 -1.561) 2.070 16.207 ( -0.857 0.000 -1.671) 1.878 16.238 ( 1.582 0.000 1.995) 2.546 16.460 ( -6.286 0.000 3.337) 7.117 16.668 ( -0.429 0.000 -5.852) 5.868 16.896 ( -1.464 0.000 0.181) 1.476 17.152 ( -5.332 0.000 -4.560) 7.016 17.216 ( 12.500 0.000 -1.821) 12.632 17.308 ( 2.714 0.000 5.658) 6.275 17.433 ( -3.958 0.000 2.798) 4.847 17.486 ( -1.544 0.000 -0.228) 1.561 17.987 ( -0.325 0.000 5.945) 5.954 18.072 ( -3.379 0.000 0.136) 3.382 18.095 ( 2.694 0.000 -3.825) 4.678 18.237 ( 5.934 0.000 1.201) 6.054 18.444 ( -0.018 0.000 3.983) 3.983 18.523 ( 2.183 0.000 -3.798) 4.381 18.801 ( -3.670 0.000 8.868) 9.598 18.844 ( -6.241 0.000 -1.453) 6.408 18.922 ( -6.062 0.000 -1.510) 6.248 18.935 ( -2.786 0.000 -5.109) 5.819 19.403 ( 0.502 0.000 -0.428) 0.659 19.427 ( 0.648 0.000 0.312) 0.719 19.480 ( -0.854 0.000 -0.640) 1.067 19.496 ( -0.231 0.000 0.796) 0.829 ======================= Grid point 67 (33/48) ======================= q-point: ( 0.33 0.00 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.661 ( 9.071 0.000 -9.591) 13.202 1.774 ( 17.678 0.000 8.328) 19.542 1.926 ( 9.998 0.000 5.545) 11.433 2.002 ( 12.130 0.000 -3.472) 12.618 2.111 ( -2.131 0.000 -6.566) 6.904 2.211 ( -3.912 0.000 4.303) 5.816 2.469 ( 1.434 0.000 16.912) 16.973 2.472 ( -3.433 0.000 3.386) 4.821 2.535 ( 0.782 0.000 -8.539) 8.575 2.651 ( -2.469 0.000 -3.220) 4.058 2.673 ( -0.046 0.000 7.836) 7.836 2.711 ( 0.056 0.000 -2.964) 2.964 2.897 ( -6.707 0.000 13.751) 15.300 2.942 ( 3.824 0.000 0.703) 3.888 2.987 ( 4.600 0.000 5.791) 7.396 3.057 ( -3.681 0.000 -1.130) 3.851 3.122 ( -0.880 0.000 -0.657) 1.099 3.127 ( 1.891 0.000 -6.711) 6.973 3.219 ( 7.631 0.000 -8.810) 11.655 3.315 ( -0.115 0.000 -6.957) 6.958 3.318 ( -5.011 0.000 -5.243) 7.252 3.343 ( 2.007 0.000 1.459) 2.481 3.442 ( 1.073 0.000 6.458) 6.547 3.488 ( -1.936 0.000 2.477) 3.144 3.527 ( 6.605 0.000 -4.927) 8.240 3.533 ( 1.097 0.000 8.356) 8.428 3.586 ( 1.256 0.000 -1.681) 2.098 3.632 ( 1.873 0.000 -7.621) 7.848 3.661 ( -4.063 0.000 -0.092) 4.064 3.697 ( 2.829 0.000 6.437) 7.031 3.741 ( -5.009 0.000 1.199) 5.151 3.787 ( -0.876 0.000 -3.765) 3.865 3.826 ( 1.324 0.000 -4.939) 5.113 3.933 ( 7.149 0.000 10.093) 12.368 3.948 ( 2.277 0.000 3.248) 3.966 4.047 ( 2.031 0.000 1.515) 2.533 4.075 ( -3.470 0.000 -1.053) 3.626 4.124 ( 0.003 0.000 -7.010) 7.010 4.188 ( 4.692 0.000 -0.754) 4.752 4.245 ( 2.612 0.000 5.338) 5.942 4.256 ( -0.264 0.000 -6.098) 6.104 4.335 ( 1.720 0.000 -0.556) 1.808 4.397 ( 1.312 0.000 4.353) 4.547 4.407 ( 3.718 0.000 0.748) 3.793 4.466 ( -11.017 0.000 -0.962) 11.059 4.530 ( -5.405 0.000 1.940) 5.742 4.561 ( 2.672 0.000 -3.137) 4.121 4.681 ( -1.127 0.000 0.382) 1.190 4.698 ( -5.721 0.000 2.477) 6.234 4.726 ( 2.189 0.000 1.886) 2.890 4.786 ( -2.700 0.000 -0.685) 2.785 4.825 ( -0.373 0.000 0.622) 0.725 4.845 ( -1.540 0.000 4.137) 4.414 4.854 ( -9.769 0.000 1.541) 9.890 4.911 ( 4.054 0.000 2.870) 4.967 4.952 ( -2.589 0.000 2.970) 3.940 5.049 ( 0.903 0.000 -0.541) 1.053 5.105 ( -3.958 0.000 -2.643) 4.759 5.115 ( 0.026 0.000 4.579) 4.579 5.214 ( 3.588 0.000 1.975) 4.095 5.231 ( -0.821 0.000 -0.797) 1.144 5.280 ( -11.325 0.000 0.415) 11.332 5.309 ( -0.622 0.000 -1.562) 1.681 5.365 ( -2.677 0.000 0.117) 2.680 5.429 ( -2.331 0.000 -0.990) 2.533 5.460 ( 4.399 0.000 0.840) 4.478 5.475 ( -6.431 0.000 -1.792) 6.676 5.488 ( -1.155 0.000 -5.628) 5.745 5.568 ( -0.703 0.000 1.885) 2.012 5.585 ( 2.206 0.000 -4.661) 5.157 5.666 ( 1.431 0.000 -0.291) 1.460 5.710 ( 1.642 0.000 4.503) 4.793 5.752 ( 1.485 0.000 -0.425) 1.545 5.770 ( 2.353 0.000 2.826) 3.677 5.850 ( 1.675 0.000 -3.331) 3.729 5.901 ( -2.119 0.000 -5.798) 6.173 5.932 ( -4.588 0.000 -0.143) 4.591 6.051 ( -3.807 0.000 -4.866) 6.179 6.068 ( -0.203 0.000 1.712) 1.724 6.093 ( -4.246 0.000 3.981) 5.821 6.099 ( 3.305 0.000 -7.353) 8.062 6.118 ( -8.086 0.000 -1.839) 8.292 6.155 ( -5.357 0.000 -1.459) 5.552 6.198 ( -2.845 0.000 -4.482) 5.308 6.257 ( -0.133 0.000 2.281) 2.285 6.329 ( 1.523 0.000 1.114) 1.887 6.416 ( -4.221 0.000 -6.724) 7.938 6.473 ( -2.535 0.000 -5.806) 6.335 6.489 ( -3.026 0.000 1.961) 3.606 6.541 ( 1.650 0.000 3.274) 3.667 6.596 ( 2.844 0.000 7.629) 8.142 6.630 ( -8.189 0.000 0.007) 8.189 6.678 ( -1.075 0.000 0.468) 1.173 6.748 ( -5.110 0.000 -8.923) 10.283 6.801 ( 0.667 0.000 -2.525) 2.611 6.817 ( 1.408 0.000 2.696) 3.041 6.839 ( 3.443 0.000 -7.365) 8.130 6.892 ( -5.471 0.000 0.933) 5.550 6.971 ( -2.137 0.000 -1.802) 2.795 6.976 ( 1.393 0.000 -6.407) 6.557 7.030 ( 5.554 0.000 -0.796) 5.610 7.111 ( 1.186 0.000 -1.352) 1.799 7.161 ( 2.985 0.000 -1.509) 3.345 7.170 ( 2.974 0.000 1.066) 3.159 7.251 ( 0.668 0.000 -0.500) 0.834 7.278 ( -0.650 0.000 -1.314) 1.466 7.335 ( -0.321 0.000 0.236) 0.398 7.362 ( 3.596 0.000 3.721) 5.174 7.363 ( 1.208 0.000 3.472) 3.676 7.503 ( -1.222 0.000 3.321) 3.539 7.520 ( -4.835 0.000 -0.573) 4.869 7.549 ( 5.875 0.000 2.309) 6.312 7.727 ( 0.201 0.000 2.111) 2.120 7.758 ( -0.625 0.000 1.045) 1.218 7.834 ( 0.973 0.000 3.337) 3.476 7.871 ( 2.306 0.000 0.958) 2.497 7.879 ( -3.021 0.000 -0.982) 3.177 7.921 ( 0.345 0.000 -4.389) 4.402 7.932 ( 1.867 0.000 2.842) 3.401 8.051 ( -4.519 0.000 0.567) 4.554 8.074 ( 0.600 0.000 -1.455) 1.573 8.160 ( -2.383 0.000 1.936) 3.070 8.190 ( -3.890 0.000 5.990) 7.142 8.258 ( 2.641 0.000 -1.289) 2.939 8.271 ( -1.769 0.000 -7.562) 7.766 8.302 ( 0.841 0.000 -1.130) 1.408 8.413 ( -1.048 0.000 3.349) 3.509 8.503 ( 4.467 0.000 2.847) 5.297 8.622 ( -1.486 0.000 6.455) 6.624 8.626 ( -0.100 0.000 5.278) 5.279 8.649 ( 0.803 0.000 2.453) 2.581 8.727 ( -1.434 0.000 6.331) 6.492 8.758 ( 6.341 0.000 -5.501) 8.395 8.840 ( 2.340 0.000 -4.636) 5.193 8.945 ( -0.307 0.000 -0.990) 1.037 8.978 ( 3.795 0.000 6.223) 7.288 9.000 ( 2.684 0.000 2.144) 3.436 9.021 ( 2.462 0.000 -3.364) 4.168 9.071 ( 1.683 0.000 3.154) 3.575 9.283 ( 9.920 0.000 -0.695) 9.945 9.325 ( 2.746 0.000 4.451) 5.230 9.421 ( 0.935 0.000 -2.571) 2.736 9.433 ( -0.414 0.000 2.442) 2.476 9.537 ( -3.418 0.000 4.327) 5.514 9.541 ( 4.888 0.000 -2.757) 5.612 9.596 ( 0.638 0.000 -2.950) 3.018 9.722 ( -3.556 0.000 4.202) 5.505 9.738 ( 10.378 0.000 -2.430) 10.659 9.777 ( -8.053 0.000 7.260) 10.843 9.830 ( -6.228 0.000 -8.274) 10.356 9.881 ( -0.727 0.000 1.171) 1.379 9.985 ( 4.534 0.000 0.704) 4.589 10.036 ( 5.944 0.000 3.150) 6.727 10.146 ( -4.009 0.000 -6.631) 7.749 10.229 ( 5.572 0.000 0.271) 5.579 10.233 ( -0.056 0.000 7.900) 7.900 10.560 ( 2.760 0.000 -3.497) 4.454 10.704 ( -2.164 0.000 -0.997) 2.382 10.764 ( -6.413 0.000 6.577) 9.186 10.774 ( -6.906 0.000 -6.297) 9.346 11.024 ( -0.333 0.000 -2.646) 2.667 11.076 ( -0.892 0.000 -3.530) 3.641 11.373 ( -2.238 0.000 6.500) 6.874 11.416 ( 1.206 0.000 -2.358) 2.649 11.436 ( 3.999 0.000 2.190) 4.559 11.597 ( 0.263 0.000 1.310) 1.337 11.603 ( 6.749 0.000 -1.398) 6.892 11.710 ( 0.049 0.000 -9.032) 9.032 11.757 ( 2.441 0.000 5.720) 6.219 12.005 ( 4.101 0.000 -8.345) 9.298 12.072 ( -4.646 0.000 -4.806) 6.684 12.198 ( -8.118 0.000 5.683) 9.909 12.996 ( -1.546 0.000 3.920) 4.214 13.071 ( 0.655 0.000 -4.090) 4.142 13.538 ( -2.632 0.000 4.943) 5.600 13.664 ( 0.855 0.000 -6.427) 6.483 15.208 ( 4.200 0.000 3.273) 5.325 15.349 ( 8.125 0.000 -4.060) 9.083 15.649 ( 0.817 0.000 -2.977) 3.087 15.657 ( 0.570 0.000 -1.209) 1.337 16.202 ( 1.392 0.000 0.074) 1.394 16.279 ( 1.446 0.000 1.312) 1.953 16.377 ( -3.726 0.000 2.162) 4.308 16.565 ( -6.126 0.000 -5.741) 8.395 16.896 ( 1.264 0.000 -0.369) 1.316 17.027 ( -4.712 0.000 -1.877) 5.072 17.368 ( -1.600 0.000 7.972) 8.131 17.375 ( 0.873 0.000 0.364) 0.946 17.455 ( 8.286 0.000 -2.494) 8.653 17.459 ( 0.001 0.000 -1.394) 1.394 18.011 ( -1.981 0.000 7.084) 7.356 18.062 ( 2.287 0.000 3.318) 4.030 18.114 ( 1.603 0.000 -3.933) 4.247 18.381 ( 7.457 0.000 1.872) 7.689 18.481 ( 1.100 0.000 4.560) 4.690 18.524 ( -0.756 0.000 -4.866) 4.924 18.723 ( -2.853 0.000 -2.413) 3.736 18.748 ( -6.057 0.000 5.893) 8.450 18.789 ( -7.077 0.000 -0.362) 7.086 18.819 ( -5.017 0.000 -6.047) 7.858 19.418 ( 1.138 0.000 -0.600) 1.286 19.433 ( -0.127 0.000 0.127) 0.180 19.466 ( -0.107 0.000 -0.498) 0.509 19.488 ( -0.849 0.000 0.410) 0.943 ======================= Grid point 68 (34/48) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( -5.268 0.000 7.543) 9.200 1.758 ( -18.903 0.000 4.202) 19.364 2.044 ( 0.280 0.000 3.842) 3.852 2.122 ( 3.847 0.000 -8.907) 9.702 2.199 ( 0.938 0.000 4.363) 4.463 2.328 ( 17.220 0.000 12.709) 21.402 2.476 ( 1.801 0.000 -13.749) 13.867 2.507 ( 2.618 0.000 6.605) 7.105 2.524 ( -7.575 0.000 -3.402) 8.304 2.655 ( -2.540 0.000 -5.088) 5.687 2.656 ( 1.562 0.000 3.081) 3.454 2.705 ( 0.902 0.000 13.317) 13.347 2.805 ( -9.229 0.000 1.179) 9.304 2.989 ( 0.915 0.000 3.713) 3.824 2.992 ( 4.019 0.000 -7.851) 8.819 3.089 ( 0.322 0.000 5.583) 5.593 3.143 ( 4.264 0.000 -3.741) 5.673 3.145 ( -1.062 0.000 -0.057) 1.064 3.222 ( -0.646 0.000 -4.905) 4.947 3.243 ( -0.600 0.000 -2.647) 2.715 3.341 ( -1.792 0.000 2.263) 2.887 3.394 ( 5.858 0.000 -2.705) 6.452 3.409 ( -3.672 0.000 -0.476) 3.702 3.450 ( -4.321 0.000 -0.285) 4.330 3.515 ( -4.647 0.000 2.983) 5.522 3.531 ( -6.861 0.000 0.592) 6.887 3.598 ( 0.367 0.000 -2.051) 2.084 3.603 ( 1.692 0.000 -2.438) 2.968 3.625 ( -12.383 0.000 2.198) 12.576 3.680 ( 8.936 0.000 3.300) 9.526 3.741 ( -2.508 0.000 -0.141) 2.512 3.811 ( 3.564 0.000 0.378) 3.584 3.844 ( 11.685 0.000 -10.779) 15.898 3.945 ( -2.360 0.000 -7.553) 7.914 3.991 ( -2.638 0.000 6.821) 7.313 4.052 ( 2.576 0.000 2.055) 3.296 4.110 ( -1.817 0.000 8.714) 8.902 4.152 ( 5.093 0.000 4.035) 6.498 4.232 ( 2.635 0.000 -1.955) 3.281 4.273 ( -2.162 0.000 -7.689) 7.988 4.332 ( -6.179 0.000 6.285) 8.813 4.346 ( -0.991 0.000 4.726) 4.829 4.402 ( 4.288 0.000 -1.132) 4.435 4.404 ( -0.983 0.000 -0.492) 1.099 4.433 ( 0.166 0.000 3.803) 3.806 4.495 ( 1.635 0.000 0.172) 1.644 4.550 ( -1.639 0.000 4.642) 4.923 4.584 ( -1.471 0.000 2.548) 2.942 4.658 ( 2.361 0.000 1.266) 2.679 4.708 ( -3.109 0.000 -2.605) 4.056 4.761 ( 3.091 0.000 -2.423) 3.927 4.787 ( -2.699 0.000 -6.119) 6.687 4.833 ( 2.326 0.000 -1.765) 2.920 4.874 ( 0.405 0.000 -2.322) 2.357 4.940 ( -3.258 0.000 2.773) 4.279 4.980 ( 4.953 0.000 0.753) 5.010 5.060 ( 2.878 0.000 4.365) 5.229 5.101 ( -3.240 0.000 6.039) 6.853 5.125 ( 4.426 0.000 -3.007) 5.351 5.180 ( 0.493 0.000 6.743) 6.761 5.244 ( 4.013 0.000 -4.001) 5.667 5.262 ( -3.629 0.000 1.911) 4.101 5.313 ( 2.237 0.000 2.432) 3.304 5.358 ( -2.043 0.000 -0.762) 2.180 5.378 ( 3.067 0.000 -0.382) 3.091 5.417 ( -1.656 0.000 -6.687) 6.889 5.433 ( 0.897 0.000 -4.108) 4.205 5.462 ( -1.103 0.000 -5.330) 5.443 5.581 ( 1.136 0.000 4.070) 4.226 5.649 ( 3.571 0.000 -1.647) 3.933 5.718 ( 2.257 0.000 3.290) 3.990 5.735 ( -5.029 0.000 3.281) 6.005 5.761 ( -4.548 0.000 0.774) 4.614 5.788 ( 1.271 0.000 2.436) 2.748 5.850 ( -1.874 0.000 -1.472) 2.383 5.868 ( -4.681 0.000 -5.614) 7.310 5.883 ( 7.374 0.000 -6.707) 9.968 5.912 ( -2.761 0.000 0.234) 2.771 5.983 ( -0.695 0.000 2.195) 2.303 5.992 ( -6.143 0.000 -1.675) 6.367 6.096 ( 4.512 0.000 -0.566) 4.548 6.127 ( 1.195 0.000 -3.488) 3.687 6.141 ( 1.807 0.000 -2.670) 3.224 6.149 ( 2.239 0.000 -3.381) 4.055 6.292 ( 0.475 0.000 2.612) 2.654 6.332 ( 5.744 0.000 1.590) 5.961 6.344 ( -5.161 0.000 -2.383) 5.685 6.406 ( -5.783 0.000 -5.348) 7.877 6.459 ( 5.820 0.000 0.795) 5.874 6.546 ( -1.535 0.000 -4.126) 4.403 6.585 ( -2.907 0.000 1.893) 3.469 6.630 ( 3.409 0.000 -0.641) 3.469 6.702 ( 3.845 0.000 -0.214) 3.851 6.706 ( 1.513 0.000 -1.310) 2.001 6.758 ( -1.354 0.000 -0.403) 1.412 6.780 ( -4.165 0.000 -1.433) 4.405 6.812 ( -4.927 0.000 2.904) 5.720 6.847 ( 1.894 0.000 -5.815) 6.115 6.918 ( -2.763 0.000 1.574) 3.180 6.961 ( 1.007 0.000 -3.601) 3.739 7.072 ( 0.518 0.000 -5.645) 5.669 7.088 ( 0.962 0.000 -3.819) 3.938 7.211 ( 1.586 0.000 2.866) 3.276 7.227 ( -1.915 0.000 0.398) 1.956 7.235 ( -5.073 0.000 4.198) 6.584 7.303 ( 8.325 0.000 -2.199) 8.611 7.336 ( 1.565 0.000 -2.867) 3.266 7.352 ( 0.480 0.000 -3.452) 3.486 7.447 ( 0.537 0.000 2.396) 2.456 7.464 ( -1.481 0.000 -0.808) 1.688 7.631 ( 8.146 0.000 6.086) 10.168 7.673 ( 2.384 0.000 1.484) 2.808 7.741 ( 1.654 0.000 -0.361) 1.693 7.767 ( 0.257 0.000 1.661) 1.681 7.816 ( -2.796 0.000 4.319) 5.145 7.827 ( -5.903 0.000 0.080) 5.903 7.840 ( -0.755 0.000 2.227) 2.351 7.877 ( -1.495 0.000 -1.582) 2.176 8.014 ( 0.969 0.000 -2.237) 2.438 8.015 ( -0.000 0.000 -1.810) 1.810 8.068 ( 3.035 0.000 3.788) 4.854 8.096 ( -5.731 0.000 1.602) 5.950 8.103 ( -6.717 0.000 4.631) 8.158 8.215 ( 0.629 0.000 -4.957) 4.996 8.282 ( -2.017 0.000 1.833) 2.726 8.308 ( 0.359 0.000 -2.469) 2.495 8.448 ( 2.472 0.000 4.826) 5.422 8.530 ( -2.451 0.000 -1.868) 3.082 8.617 ( -2.770 0.000 6.372) 6.948 8.683 ( -6.363 0.000 12.337) 13.882 8.701 ( -0.922 0.000 6.478) 6.544 8.728 ( 7.615 0.000 -0.886) 7.666 8.830 ( 4.223 0.000 -4.301) 6.028 8.843 ( -1.963 0.000 -4.548) 4.954 8.900 ( 1.157 0.000 4.395) 4.545 8.947 ( -2.986 0.000 -1.733) 3.453 9.075 ( -1.201 0.000 -0.831) 1.460 9.098 ( 6.787 0.000 -5.689) 8.856 9.194 ( 6.312 0.000 7.440) 9.757 9.330 ( -8.347 0.000 -5.361) 9.920 9.432 ( 1.876 0.000 2.899) 3.453 9.435 ( 5.003 0.000 0.652) 5.046 9.451 ( 0.716 0.000 2.479) 2.580 9.468 ( -1.775 0.000 6.286) 6.532 9.554 ( -1.933 0.000 -6.612) 6.889 9.570 ( -8.296 0.000 2.127) 8.564 9.600 ( 1.647 0.000 -3.958) 4.287 9.660 ( 1.180 0.000 -6.644) 6.748 9.829 ( 1.656 0.000 8.069) 8.238 9.849 ( -3.010 0.000 2.787) 4.102 9.908 ( 6.425 0.000 -3.025) 7.101 10.017 ( -2.428 0.000 -8.119) 8.475 10.156 ( 1.566 0.000 2.299) 2.782 10.177 ( 7.839 0.000 1.026) 7.906 10.253 ( -2.200 0.000 5.736) 6.144 10.348 ( 5.014 0.000 -2.026) 5.407 10.549 ( -2.202 0.000 -1.242) 2.528 10.568 ( -5.108 0.000 -1.412) 5.300 10.719 ( -3.875 0.000 1.676) 4.222 10.727 ( 5.694 0.000 0.135) 5.695 11.014 ( -3.861 0.000 -0.430) 3.885 11.022 ( 0.661 0.000 -0.253) 0.708 11.400 ( 0.071 0.000 5.055) 5.056 11.416 ( -0.115 0.000 2.732) 2.735 11.499 ( 1.105 0.000 -1.413) 1.794 11.614 ( -1.530 0.000 -11.903) 12.000 11.622 ( 1.560 0.000 1.945) 2.493 11.653 ( -2.055 0.000 -1.432) 2.505 11.837 ( 0.946 0.000 6.678) 6.744 11.974 ( -2.125 0.000 -6.026) 6.390 12.047 ( -8.819 0.000 2.661) 9.212 12.100 ( 9.388 0.000 -2.515) 9.719 12.987 ( -1.683 0.000 3.790) 4.147 13.069 ( 1.546 0.000 -3.733) 4.040 13.525 ( -1.665 0.000 4.954) 5.226 13.647 ( 1.721 0.000 -6.312) 6.543 15.289 ( 0.656 0.000 5.130) 5.172 15.430 ( 2.837 0.000 -8.065) 8.549 15.640 ( 0.493 0.000 -1.953) 2.015 15.640 ( -1.103 0.000 -1.474) 1.841 16.269 ( 3.777 0.000 2.128) 4.335 16.296 ( -1.054 0.000 -0.346) 1.109 16.349 ( -0.038 0.000 2.363) 2.363 16.406 ( -5.138 0.000 -3.104) 6.003 16.934 ( 2.726 0.000 -0.161) 2.730 16.945 ( -3.032 0.000 -1.099) 3.225 17.344 ( -5.014 0.000 7.400) 8.939 17.394 ( 0.872 0.000 2.218) 2.383 17.469 ( 0.823 0.000 -0.660) 1.055 17.551 ( 3.970 0.000 -7.448) 8.440 18.024 ( -0.684 0.000 5.229) 5.274 18.108 ( 0.415 0.000 -3.772) 3.794 18.189 ( 6.687 0.000 9.415) 11.548 18.368 ( -7.176 0.000 -5.919) 9.302 18.534 ( 0.459 0.000 4.423) 4.447 18.564 ( 6.326 0.000 0.632) 6.358 18.636 ( -7.512 0.000 2.593) 7.947 18.674 ( -3.995 0.000 1.290) 4.198 18.700 ( -2.359 0.000 -4.278) 4.885 18.754 ( 6.644 0.000 -4.331) 7.931 19.427 ( -0.503 0.000 -0.056) 0.506 19.434 ( 0.882 0.000 -0.731) 1.145 19.472 ( 0.784 0.000 0.029) 0.785 19.472 ( -0.872 0.000 0.023) 0.872 ======================= Grid point 69 (35/48) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -21.775 0.000 13.261) 25.495 1.541 ( -20.368 0.000 17.027) 26.547 1.983 ( -9.230 0.000 6.006) 11.012 2.032 ( -7.550 0.000 -6.049) 9.674 2.245 ( -2.168 0.000 8.048) 8.335 2.307 ( -6.333 0.000 -14.450) 15.777 2.438 ( 2.672 0.000 -12.978) 13.250 2.444 ( -25.385 0.000 19.474) 31.994 2.583 ( 0.393 0.000 6.050) 6.062 2.623 ( 3.962 0.000 8.173) 9.082 2.625 ( 4.478 0.000 -5.443) 7.048 2.745 ( 6.500 0.000 -2.735) 7.052 2.839 ( -1.671 0.000 8.459) 8.622 3.013 ( -8.837 0.000 7.108) 11.341 3.019 ( 2.222 0.000 -5.366) 5.808 3.064 ( 1.056 0.000 -7.528) 7.602 3.112 ( 2.571 0.000 0.082) 2.572 3.117 ( -7.516 0.000 2.783) 8.015 3.209 ( 5.336 0.000 -5.882) 7.941 3.244 ( 3.466 0.000 -2.181) 4.095 3.318 ( 4.679 0.000 -6.852) 8.297 3.335 ( -2.557 0.000 -2.795) 3.788 3.437 ( 0.328 0.000 4.760) 4.771 3.441 ( -2.969 0.000 6.455) 7.106 3.478 ( 3.340 0.000 -0.804) 3.435 3.483 ( 1.108 0.000 5.489) 5.600 3.550 ( 1.629 0.000 -3.588) 3.941 3.647 ( 4.601 0.000 1.389) 4.806 3.672 ( 5.742 0.000 -1.915) 6.053 3.716 ( 0.166 0.000 2.178) 2.184 3.770 ( -6.733 0.000 3.686) 7.675 3.869 ( 4.955 0.000 5.574) 7.458 3.907 ( 1.964 0.000 -7.388) 7.645 3.923 ( -3.232 0.000 -2.655) 4.183 4.019 ( -7.512 0.000 -1.249) 7.615 4.028 ( 2.489 0.000 -0.946) 2.663 4.098 ( 1.629 0.000 -4.167) 4.474 4.134 ( -3.225 0.000 2.163) 3.884 4.205 ( -3.881 0.000 4.803) 6.175 4.215 ( 0.737 0.000 -3.014) 3.103 4.285 ( -0.794 0.000 -7.143) 7.187 4.343 ( -2.191 0.000 -3.666) 4.270 4.420 ( -3.168 0.000 5.394) 6.256 4.466 ( 5.371 0.000 -0.917) 5.449 4.466 ( 2.501 0.000 -1.471) 2.901 4.513 ( 2.153 0.000 5.243) 5.668 4.559 ( -1.702 0.000 -8.501) 8.670 4.625 ( -1.051 0.000 10.710) 10.761 4.672 ( 0.014 0.000 2.062) 2.062 4.702 ( -0.896 0.000 0.799) 1.200 4.703 ( 3.649 0.000 0.220) 3.656 4.805 ( -3.030 0.000 -1.588) 3.421 4.865 ( 0.949 0.000 3.397) 3.527 4.865 ( 7.116 0.000 -3.915) 8.122 5.004 ( 1.418 0.000 -1.049) 1.764 5.116 ( -1.340 0.000 -2.558) 2.888 5.117 ( 3.110 0.000 -0.951) 3.252 5.131 ( 1.847 0.000 -6.882) 7.125 5.171 ( 1.210 0.000 2.758) 3.012 5.207 ( 4.555 0.000 11.999) 12.835 5.214 ( 6.561 0.000 -5.654) 8.661 5.252 ( -1.943 0.000 -6.198) 6.495 5.309 ( -2.433 0.000 1.742) 2.993 5.378 ( 0.507 0.000 2.164) 2.223 5.387 ( 5.489 0.000 -4.628) 7.180 5.452 ( 2.818 0.000 -0.703) 2.904 5.452 ( 3.465 0.000 -2.331) 4.176 5.473 ( 5.197 0.000 -1.551) 5.424 5.602 ( -1.710 0.000 4.854) 5.146 5.651 ( -2.638 0.000 -0.857) 2.774 5.656 ( 2.449 0.000 -6.978) 7.395 5.674 ( -4.152 0.000 -5.897) 7.213 5.725 ( 1.322 0.000 6.453) 6.587 5.737 ( -4.513 0.000 2.803) 5.312 5.804 ( 0.842 0.000 0.276) 0.886 5.911 ( 7.447 0.000 3.557) 8.253 5.923 ( -0.921 0.000 -4.315) 4.412 5.959 ( 0.559 0.000 1.480) 1.582 6.023 ( 6.254 0.000 3.103) 6.981 6.058 ( -7.208 0.000 -3.328) 7.939 6.081 ( 4.573 0.000 4.933) 6.727 6.127 ( 1.818 0.000 -4.310) 4.678 6.214 ( 7.818 0.000 -2.209) 8.124 6.217 ( 5.675 0.000 -4.708) 7.374 6.281 ( 2.031 0.000 3.875) 4.375 6.344 ( 3.678 0.000 -4.231) 5.607 6.360 ( 1.962 0.000 3.314) 3.851 6.429 ( -4.393 0.000 -6.262) 7.649 6.543 ( 12.085 0.000 3.603) 12.610 6.554 ( 1.710 0.000 1.997) 2.629 6.604 ( 1.182 0.000 -2.971) 3.197 6.609 ( 0.961 0.000 0.512) 1.089 6.676 ( -3.297 0.000 2.293) 4.016 6.732 ( 2.155 0.000 -3.042) 3.728 6.766 ( 1.332 0.000 -1.726) 2.181 6.787 ( 0.890 0.000 -0.646) 1.100 6.825 ( -0.582 0.000 -2.041) 2.122 6.873 ( 5.482 0.000 5.661) 7.881 6.900 ( 1.267 0.000 5.955) 6.088 6.961 ( -1.382 0.000 -0.255) 1.405 7.039 ( -0.529 0.000 -1.832) 1.907 7.042 ( -0.750 0.000 -7.303) 7.342 7.188 ( -3.895 0.000 1.897) 4.332 7.191 ( 0.336 0.000 -0.766) 0.836 7.254 ( 1.587 0.000 1.139) 1.953 7.284 ( -2.241 0.000 -7.650) 7.971 7.352 ( 2.108 0.000 -0.248) 2.122 7.408 ( 0.933 0.000 -2.248) 2.434 7.480 ( 3.028 0.000 -1.529) 3.393 7.546 ( 5.766 0.000 1.198) 5.890 7.549 ( -8.205 0.000 -4.176) 9.206 7.603 ( -8.153 0.000 -1.489) 8.287 7.739 ( -2.111 0.000 -0.930) 2.307 7.756 ( 2.079 0.000 -0.343) 2.107 7.811 ( -3.556 0.000 3.888) 5.269 7.828 ( -0.864 0.000 2.538) 2.681 7.873 ( 1.850 0.000 1.330) 2.278 7.874 ( -4.536 0.000 1.889) 4.914 8.005 ( 1.287 0.000 5.453) 5.603 8.028 ( 1.288 0.000 -4.768) 4.939 8.029 ( 1.650 0.000 2.035) 2.620 8.088 ( 2.505 0.000 8.102) 8.480 8.144 ( 0.653 0.000 4.485) 4.532 8.205 ( -2.616 0.000 0.929) 2.776 8.265 ( -0.223 0.000 3.449) 3.456 8.279 ( 0.673 0.000 -2.887) 2.964 8.484 ( 0.606 0.000 -2.378) 2.454 8.485 ( -2.320 0.000 4.767) 5.302 8.584 ( -5.064 0.000 7.279) 8.867 8.645 ( -5.974 0.000 2.180) 6.359 8.646 ( -4.242 0.000 6.725) 7.951 8.745 ( -3.496 0.000 -2.762) 4.455 8.824 ( 0.013 0.000 -7.397) 7.397 8.864 ( -2.307 0.000 -4.531) 5.084 8.938 ( 1.770 0.000 3.445) 3.873 8.944 ( 3.443 0.000 2.967) 4.545 9.028 ( -0.458 0.000 -4.483) 4.506 9.102 ( -8.252 0.000 -4.780) 9.536 9.176 ( 1.321 0.000 -4.916) 5.090 9.268 ( -7.757 0.000 1.871) 7.980 9.350 ( -1.163 0.000 4.157) 4.316 9.393 ( -4.349 0.000 -1.383) 4.564 9.474 ( 0.127 0.000 3.247) 3.249 9.499 ( -0.312 0.000 4.139) 4.151 9.523 ( 0.958 0.000 -5.147) 5.235 9.607 ( 4.316 0.000 -2.629) 5.054 9.650 ( 7.073 0.000 8.144) 10.787 9.710 ( -9.336 0.000 0.521) 9.350 9.789 ( 8.883 0.000 -2.493) 9.226 9.919 ( -0.793 0.000 -5.588) 5.644 9.972 ( 5.038 0.000 8.312) 9.720 9.991 ( 4.686 0.000 -7.946) 9.224 10.072 ( -7.135 0.000 -3.694) 8.034 10.146 ( -5.110 0.000 -7.752) 9.285 10.210 ( -4.681 0.000 2.975) 5.546 10.399 ( 3.622 0.000 -7.019) 7.898 10.585 ( -5.249 0.000 -5.593) 7.670 10.606 ( 0.879 0.000 8.461) 8.507 10.655 ( 8.649 0.000 2.988) 9.150 10.845 ( 5.341 0.000 -0.203) 5.345 10.942 ( -4.022 0.000 4.623) 6.128 11.035 ( 0.454 0.000 0.031) 0.455 11.386 ( -3.581 0.000 0.116) 3.582 11.449 ( -1.134 0.000 9.371) 9.439 11.475 ( -1.274 0.000 -2.867) 3.137 11.507 ( -3.348 0.000 -5.080) 6.084 11.612 ( 0.017 0.000 -1.464) 1.464 11.636 ( -2.621 0.000 0.556) 2.679 11.834 ( -4.839 0.000 7.767) 9.151 11.883 ( -3.168 0.000 -5.849) 6.652 11.985 ( 1.553 0.000 3.233) 3.587 12.292 ( 10.400 0.000 -3.059) 10.841 12.982 ( -1.224 0.000 4.107) 4.285 13.080 ( 1.828 0.000 -3.832) 4.246 13.536 ( -0.581 0.000 5.273) 5.305 13.656 ( 2.956 0.000 -5.977) 6.668 15.277 ( -4.384 0.000 3.231) 5.446 15.337 ( -5.928 0.000 -10.013) 11.636 15.620 ( -0.047 0.000 -0.536) 0.538 15.646 ( -0.039 0.000 -0.269) 0.272 16.216 ( -3.773 0.000 -1.141) 3.942 16.297 ( -0.440 0.000 -0.267) 0.515 16.397 ( 3.237 0.000 0.504) 3.276 16.442 ( 5.072 0.000 5.661) 7.601 16.896 ( -1.437 0.000 -0.426) 1.498 16.995 ( 3.246 0.000 0.897) 3.367 17.271 ( -7.454 0.000 7.148) 10.327 17.425 ( 0.287 0.000 1.978) 1.999 17.473 ( 0.717 0.000 -1.842) 1.977 17.541 ( 1.170 0.000 -8.245) 8.327 18.033 ( -1.544 0.000 3.717) 4.025 18.091 ( 0.238 0.000 -2.994) 3.004 18.201 ( -5.061 0.000 -6.565) 8.289 18.380 ( 3.848 0.000 6.579) 7.621 18.438 ( -6.738 0.000 -0.737) 6.778 18.571 ( -1.778 0.000 -3.795) 4.191 18.636 ( 0.497 0.000 5.795) 5.817 18.684 ( 5.571 0.000 6.604) 8.640 18.756 ( 5.982 0.000 1.517) 6.171 18.887 ( 9.202 0.000 -5.948) 10.957 19.414 ( -0.653 0.000 -0.219) 0.689 19.443 ( 0.609 0.000 -0.848) 1.043 19.458 ( -0.457 0.000 0.152) 0.482 19.491 ( 1.083 0.000 0.145) 1.093 ======================= Grid point 70 (36/48) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -13.100 0.000 22.574) 26.100 1.204 ( -20.256 0.000 19.966) 28.441 1.817 ( -8.633 0.000 -7.663) 11.544 1.903 ( -2.802 0.000 12.242) 12.558 2.032 ( -11.634 0.000 -8.603) 14.469 2.210 ( -9.798 0.000 16.549) 19.232 2.321 ( -0.998 0.000 24.238) 24.258 2.406 ( 0.681 0.000 -9.229) 9.254 2.554 ( -5.652 0.000 1.759) 5.919 2.668 ( -5.644 0.000 8.277) 10.018 2.670 ( 0.188 0.000 1.174) 1.189 2.775 ( -1.375 0.000 3.522) 3.781 2.805 ( 4.813 0.000 -12.322) 13.229 2.941 ( -0.210 0.000 -5.636) 5.639 2.987 ( -6.210 0.000 -0.763) 6.257 3.008 ( -2.066 0.000 2.174) 3.000 3.103 ( 2.009 0.000 1.971) 2.815 3.146 ( 2.189 0.000 -5.332) 5.764 3.240 ( -4.411 0.000 4.453) 6.268 3.291 ( 4.828 0.000 -3.819) 6.156 3.321 ( 3.175 0.000 -4.703) 5.675 3.393 ( 8.586 0.000 0.000) 8.586 3.443 ( -3.833 0.000 0.880) 3.932 3.453 ( -0.474 0.000 3.436) 3.469 3.533 ( 4.258 0.000 -3.309) 5.393 3.540 ( -0.084 0.000 5.061) 5.061 3.629 ( -5.310 0.000 3.391) 6.300 3.666 ( 3.440 0.000 -0.876) 3.549 3.721 ( 1.729 0.000 -1.670) 2.404 3.735 ( -4.543 0.000 -5.694) 7.285 3.781 ( 6.775 0.000 -0.919) 6.837 3.799 ( -1.095 0.000 -11.705) 11.756 3.861 ( -0.382 0.000 -7.233) 7.243 3.908 ( -1.787 0.000 -5.880) 6.146 3.914 ( -0.529 0.000 -1.273) 1.378 4.056 ( 0.749 0.000 -1.510) 1.686 4.084 ( -4.352 0.000 4.178) 6.033 4.125 ( 4.493 0.000 -6.809) 8.158 4.186 ( -4.597 0.000 4.392) 6.357 4.200 ( 6.721 0.000 -0.823) 6.771 4.236 ( 0.954 0.000 -1.493) 1.772 4.282 ( -0.037 0.000 -1.492) 1.492 4.344 ( -3.092 0.000 2.852) 4.206 4.468 ( 0.722 0.000 -5.046) 5.097 4.537 ( 1.601 0.000 -1.678) 2.319 4.561 ( 1.800 0.000 2.015) 2.702 4.590 ( 0.305 0.000 0.836) 0.890 4.622 ( -4.878 0.000 3.368) 5.927 4.632 ( -2.096 0.000 -0.066) 2.097 4.714 ( -5.278 0.000 3.355) 6.254 4.733 ( 1.829 0.000 2.865) 3.399 4.766 ( 2.403 0.000 -1.479) 2.822 4.920 ( 1.369 0.000 -4.618) 4.817 4.928 ( -9.721 0.000 -0.891) 9.762 5.003 ( 4.980 0.000 5.226) 7.219 5.014 ( 5.165 0.000 3.478) 6.227 5.146 ( -6.376 0.000 5.781) 8.607 5.178 ( 0.137 0.000 -4.837) 4.839 5.205 ( 1.068 0.000 2.228) 2.471 5.239 ( -0.528 0.000 3.868) 3.904 5.242 ( 9.376 0.000 -11.503) 14.841 5.303 ( 6.364 0.000 -4.433) 7.755 5.314 ( -5.107 0.000 0.304) 5.116 5.406 ( 2.422 0.000 4.895) 5.461 5.441 ( 1.543 0.000 -6.065) 6.258 5.507 ( 3.081 0.000 0.571) 3.134 5.537 ( 3.417 0.000 -3.303) 4.752 5.569 ( 1.235 0.000 -0.205) 1.252 5.630 ( 2.588 0.000 -1.677) 3.084 5.650 ( 2.617 0.000 5.194) 5.816 5.673 ( -0.430 0.000 0.080) 0.437 5.715 ( 4.989 0.000 0.012) 4.989 5.741 ( 5.978 0.000 -5.655) 8.229 5.808 ( 2.584 0.000 -3.002) 3.961 5.809 ( 0.986 0.000 9.829) 9.878 5.838 ( -1.795 0.000 0.126) 1.800 5.973 ( 1.600 0.000 4.294) 4.582 5.999 ( 2.788 0.000 0.919) 2.936 6.030 ( 2.961 0.000 -3.348) 4.469 6.120 ( -2.896 0.000 5.167) 5.923 6.141 ( 6.050 0.000 3.205) 6.847 6.206 ( 5.431 0.000 2.721) 6.074 6.247 ( 2.976 0.000 -7.218) 7.808 6.297 ( -1.944 0.000 -2.740) 3.359 6.301 ( 0.657 0.000 -7.595) 7.623 6.415 ( 6.237 0.000 -0.774) 6.285 6.448 ( 5.555 0.000 5.603) 7.890 6.499 ( 10.462 0.000 -0.098) 10.462 6.511 ( -8.376 0.000 4.524) 9.520 6.598 ( -3.384 0.000 -5.633) 6.571 6.630 ( 1.444 0.000 -0.496) 1.527 6.697 ( 1.103 0.000 3.365) 3.541 6.714 ( -1.878 0.000 6.217) 6.495 6.723 ( -0.084 0.000 -4.465) 4.466 6.751 ( 1.497 0.000 -4.507) 4.749 6.794 ( -1.806 0.000 1.420) 2.297 6.826 ( 2.472 0.000 -2.109) 3.250 6.921 ( 2.951 0.000 -3.553) 4.619 6.921 ( 0.806 0.000 -6.197) 6.249 7.008 ( -3.189 0.000 1.612) 3.573 7.082 ( 8.072 0.000 0.685) 8.101 7.101 ( -0.729 0.000 8.173) 8.206 7.111 ( 6.820 0.000 -1.846) 7.065 7.205 ( 0.716 0.000 -3.359) 3.435 7.233 ( 2.395 0.000 -7.711) 8.074 7.309 ( 4.767 0.000 0.593) 4.804 7.337 ( -2.036 0.000 1.468) 2.510 7.383 ( 1.080 0.000 -2.651) 2.862 7.434 ( -7.285 0.000 -1.137) 7.373 7.451 ( -0.190 0.000 -4.926) 4.929 7.573 ( 4.668 0.000 3.500) 5.835 7.594 ( -0.684 0.000 -2.052) 2.163 7.611 ( -12.985 0.000 0.191) 12.986 7.702 ( -2.398 0.000 4.897) 5.453 7.800 ( 1.202 0.000 -1.514) 1.933 7.804 ( 0.166 0.000 5.017) 5.020 7.895 ( -0.247 0.000 0.782) 0.820 7.908 ( 1.127 0.000 1.877) 2.190 8.032 ( 1.290 0.000 -5.617) 5.763 8.046 ( -2.849 0.000 4.499) 5.326 8.087 ( 6.023 0.000 -1.537) 6.216 8.164 ( -0.962 0.000 4.384) 4.489 8.205 ( 2.844 0.000 4.418) 5.254 8.216 ( 4.166 0.000 5.500) 6.900 8.310 ( 2.485 0.000 -0.926) 2.652 8.313 ( 2.738 0.000 2.041) 3.415 8.435 ( -4.687 0.000 0.047) 4.687 8.443 ( -7.461 0.000 2.317) 7.812 8.506 ( -9.109 0.000 3.075) 9.614 8.550 ( 0.270 0.000 1.645) 1.667 8.617 ( -0.426 0.000 0.718) 0.835 8.639 ( -7.864 0.000 2.245) 8.178 8.686 ( -5.544 0.000 -4.062) 6.873 8.803 ( -1.395 0.000 -2.741) 3.076 8.863 ( -10.305 0.000 -2.871) 10.698 8.951 ( -1.198 0.000 1.265) 1.742 9.007 ( -2.724 0.000 -5.137) 5.815 9.070 ( 4.675 0.000 -1.458) 4.897 9.140 ( -2.620 0.000 -0.382) 2.648 9.154 ( 0.061 0.000 -4.954) 4.955 9.283 ( -9.564 0.000 0.487) 9.576 9.319 ( -3.492 0.000 -2.924) 4.555 9.469 ( -2.395 0.000 -0.738) 2.506 9.529 ( -6.262 0.000 0.133) 6.263 9.532 ( 3.334 0.000 -4.596) 5.678 9.553 ( 1.401 0.000 8.278) 8.395 9.631 ( -0.574 0.000 -4.396) 4.434 9.796 ( -1.176 0.000 2.246) 2.536 9.852 ( 0.489 0.000 -7.034) 7.051 9.894 ( -2.222 0.000 4.053) 4.622 9.913 ( 1.429 0.000 -1.685) 2.209 10.013 ( -1.116 0.000 -3.915) 4.071 10.100 ( -1.180 0.000 3.047) 3.267 10.115 ( 10.881 0.000 -10.130) 14.867 10.136 ( -2.766 0.000 4.038) 4.894 10.390 ( 1.246 0.000 -10.615) 10.688 10.433 ( -2.173 0.000 6.773) 7.113 10.747 ( 0.074 0.000 -3.852) 3.853 10.819 ( 12.212 0.000 10.329) 15.995 10.930 ( -1.008 0.000 7.088) 7.159 10.969 ( 7.463 0.000 -1.715) 7.657 11.033 ( -0.134 0.000 1.927) 1.931 11.311 ( -3.551 0.000 1.706) 3.940 11.403 ( -4.515 0.000 3.682) 5.826 11.443 ( 0.047 0.000 -1.215) 1.216 11.485 ( -1.893 0.000 0.941) 2.114 11.562 ( -3.809 0.000 5.676) 6.836 11.615 ( -0.241 0.000 -1.126) 1.151 11.781 ( -5.555 0.000 5.043) 7.502 11.799 ( -1.436 0.000 -5.257) 5.450 12.092 ( 5.060 0.000 6.707) 8.402 12.415 ( 4.437 0.000 -5.740) 7.255 12.992 ( -0.759 0.000 4.600) 4.662 13.090 ( 1.768 0.000 -4.151) 4.512 13.560 ( -0.646 0.000 5.299) 5.338 13.679 ( 2.968 0.000 -5.895) 6.600 15.145 ( -7.404 0.000 -3.163) 8.052 15.188 ( -5.128 0.000 0.460) 5.148 15.625 ( 0.575 0.000 -0.439) 0.724 15.625 ( -1.405 0.000 0.046) 1.406 16.180 ( -0.239 0.000 0.851) 0.884 16.276 ( -1.065 0.000 -1.540) 1.872 16.509 ( 8.022 0.000 -0.734) 8.056 16.546 ( 1.220 0.000 5.752) 5.880 16.892 ( 1.377 0.000 0.524) 1.473 17.054 ( -1.032 0.000 4.323) 4.445 17.160 ( -4.591 0.000 3.274) 5.639 17.396 ( -3.396 0.000 -1.545) 3.731 17.486 ( 1.833 0.000 -2.152) 2.827 17.529 ( 1.527 0.000 -5.250) 5.468 18.008 ( -3.272 0.000 4.063) 5.217 18.083 ( -0.005 0.000 -2.642) 2.642 18.112 ( 0.021 0.000 -3.834) 3.834 18.278 ( -6.008 0.000 -2.965) 6.700 18.439 ( -1.491 0.000 4.056) 4.321 18.525 ( -0.401 0.000 -3.537) 3.560 18.709 ( 1.562 0.000 8.597) 8.737 18.871 ( 4.252 0.000 2.320) 4.844 18.902 ( 10.525 0.000 1.849) 10.686 18.992 ( 5.416 0.000 -8.384) 9.981 19.402 ( -0.220 0.000 -0.345) 0.409 19.443 ( -0.188 0.000 -1.201) 1.216 19.463 ( 0.604 0.000 0.920) 1.101 19.508 ( 0.421 0.000 -0.351) 0.548 ======================= Grid point 71 (37/48) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 5.330 10.094 19.947) 22.982 1.417 ( -0.196 22.329 16.148) 27.557 1.719 ( 1.638 4.603 -6.497) 8.129 1.895 ( -5.192 13.229 -12.075) 18.649 2.055 ( 5.748 -2.298 11.470) 13.034 2.135 ( 0.550 -8.047 6.295) 10.231 2.317 ( -2.710 0.763 15.344) 15.600 2.485 ( 0.970 0.778 13.682) 13.739 2.514 ( -2.077 3.187 -5.407) 6.611 2.609 ( -0.204 -1.261 6.321) 6.448 2.682 ( -2.479 -0.285 10.429) 10.724 2.757 ( 2.418 -2.482 -2.990) 4.577 2.824 ( -5.470 -1.021 1.085) 5.670 2.879 ( -2.835 -2.689 -0.306) 3.919 2.923 ( 0.144 -0.759 2.906) 3.007 2.962 ( 0.049 -1.060 -8.600) 8.665 3.031 ( -3.374 -4.245 -0.567) 5.452 3.108 ( 5.329 -3.488 -12.642) 14.156 3.180 ( -3.968 -4.902 8.967) 10.962 3.268 ( -0.007 -2.244 -3.251) 3.951 3.274 ( -1.682 -4.194 -5.027) 6.759 3.339 ( -1.873 2.355 -0.131) 3.012 3.458 ( 0.700 0.570 -1.152) 1.464 3.526 ( 0.743 1.940 -6.789) 7.099 3.544 ( 2.014 -0.676 0.259) 2.141 3.579 ( 3.640 2.270 0.572) 4.328 3.603 ( -5.172 2.889 -0.542) 5.949 3.656 ( 2.887 0.971 1.864) 3.572 3.687 ( 1.999 3.469 1.208) 4.182 3.701 ( -3.379 -1.088 -0.729) 3.624 3.733 ( -5.431 1.887 -5.321) 7.834 3.811 ( 1.105 4.773 -5.575) 7.421 3.888 ( -2.140 -2.028 -4.112) 5.060 3.938 ( 1.597 -0.697 -5.226) 5.508 3.974 ( 5.513 0.658 -1.037) 5.648 4.037 ( 2.712 -0.412 2.443) 3.674 4.056 ( -1.304 0.399 -0.968) 1.672 4.092 ( -0.598 -5.942 -3.092) 6.725 4.171 ( 1.988 -4.661 1.911) 5.416 4.221 ( -0.782 0.259 3.225) 3.328 4.268 ( 1.720 -1.876 -4.757) 5.395 4.322 ( 1.117 -0.736 2.258) 2.625 4.376 ( -8.079 -2.571 -3.971) 9.362 4.412 ( 1.217 0.233 0.170) 1.251 4.436 ( 3.352 1.924 2.875) 4.817 4.525 ( -1.407 -4.877 1.843) 5.401 4.537 ( 1.234 0.765 -0.370) 1.499 4.608 ( 1.190 1.908 -3.516) 4.174 4.672 ( -1.101 -5.518 2.470) 6.145 4.703 ( 2.587 -3.312 1.022) 4.325 4.716 ( -1.613 6.024 -2.024) 6.556 4.758 ( 1.092 2.980 -3.737) 4.903 4.914 ( 1.848 1.141 0.719) 2.288 4.972 ( -2.080 0.571 -2.943) 3.649 5.045 ( -1.054 2.118 4.146) 4.773 5.072 ( -0.598 3.416 5.585) 6.574 5.111 ( 0.894 -0.756 3.434) 3.629 5.156 ( -1.283 -0.242 -4.298) 4.491 5.181 ( -1.727 1.216 2.959) 3.636 5.243 ( -2.428 1.460 -3.379) 4.409 5.315 ( -2.331 3.619 1.756) 4.649 5.363 ( 5.279 -0.557 3.350) 6.277 5.381 ( 3.794 -0.469 1.979) 4.305 5.409 ( -2.243 0.900 -0.942) 2.594 5.484 ( 2.213 1.613 -2.476) 3.692 5.525 ( -2.355 1.767 -3.601) 4.651 5.544 ( -0.139 -0.913 -5.467) 5.544 5.557 ( 1.887 1.130 -3.395) 4.045 5.633 ( -1.100 -1.996 0.985) 2.483 5.654 ( 1.043 -2.261 0.776) 2.609 5.697 ( -2.380 0.519 5.023) 5.583 5.718 ( 4.729 -3.775 -0.533) 6.075 5.739 ( -0.028 3.385 0.400) 3.409 5.856 ( 1.619 -2.529 -4.041) 5.035 5.897 ( -2.769 -0.713 -1.216) 3.107 5.955 ( -0.628 -2.773 -2.543) 3.815 5.982 ( -2.873 -2.508 5.940) 7.059 6.002 ( 7.492 -1.226 7.591) 10.736 6.075 ( -4.308 -2.615 -4.666) 6.868 6.125 ( 3.488 -1.776 5.785) 6.985 6.172 ( -4.871 1.604 2.271) 5.608 6.204 ( 2.656 -0.077 3.739) 4.587 6.260 ( -1.675 -2.084 -2.387) 3.584 6.273 ( 2.427 -3.329 -4.416) 6.039 6.326 ( -0.804 3.569 -5.456) 6.569 6.333 ( 0.934 -3.647 4.581) 5.930 6.409 ( -0.876 -1.743 -0.060) 1.951 6.457 ( -1.381 1.920 -1.658) 2.888 6.584 ( -2.571 -1.167 -1.694) 3.292 6.593 ( -2.054 -1.207 -3.023) 3.849 6.631 ( -1.181 -3.390 -8.533) 9.258 6.649 ( -0.513 -3.326 -2.714) 4.324 6.711 ( 3.106 2.509 -0.542) 4.029 6.733 ( 1.557 -0.440 -2.590) 3.054 6.745 ( 0.247 0.160 4.199) 4.209 6.813 ( 6.562 3.682 -2.410) 7.901 6.849 ( 1.502 -0.580 0.834) 1.813 6.883 ( -5.050 -2.848 -1.769) 6.062 6.991 ( 0.033 4.072 0.269) 4.081 7.033 ( 4.035 2.013 -3.814) 5.906 7.073 ( -1.524 0.997 3.944) 4.344 7.129 ( 1.217 -0.214 -2.372) 2.675 7.162 ( 5.161 -0.775 2.179) 5.655 7.200 ( -8.152 2.118 -2.891) 8.905 7.263 ( 3.665 -3.340 4.060) 6.409 7.363 ( -0.940 -2.398 -3.622) 4.444 7.399 ( 0.310 2.473 1.402) 2.859 7.438 ( -2.953 2.632 0.175) 3.959 7.444 ( -2.149 4.435 2.515) 5.533 7.479 ( 3.593 -0.217 -0.524) 3.638 7.521 ( -2.533 2.252 -0.141) 3.392 7.556 ( 3.110 11.616 -1.372) 12.103 7.659 ( 3.410 -2.181 2.952) 5.010 7.699 ( -7.798 -2.664 0.449) 8.252 7.748 ( 1.502 1.357 4.369) 4.815 7.815 ( 1.184 1.418 0.290) 1.870 7.888 ( 4.047 -4.445 1.443) 6.182 7.948 ( -5.412 1.111 0.427) 5.541 7.965 ( 2.924 -1.442 -0.288) 3.273 8.017 ( -2.091 1.109 -2.824) 3.684 8.155 ( -3.141 -0.442 1.180) 3.385 8.174 ( 0.952 -1.562 3.335) 3.804 8.224 ( -1.401 -0.175 -0.803) 1.624 8.235 ( 1.799 -2.615 0.975) 3.320 8.297 ( -3.434 -2.072 1.167) 4.177 8.330 ( 0.073 -2.103 2.311) 3.125 8.365 ( -1.965 -0.580 1.944) 2.824 8.382 ( 2.011 -0.280 -1.135) 2.326 8.447 ( 2.584 -4.569 2.982) 6.038 8.476 ( 1.019 -0.065 5.941) 6.029 8.531 ( -1.193 -0.613 1.758) 2.211 8.644 ( -1.093 -1.064 3.996) 4.277 8.680 ( 0.500 2.524 -6.519) 7.008 8.732 ( -1.682 -0.934 1.713) 2.576 8.785 ( 3.425 2.838 -3.474) 5.644 8.847 ( -7.009 5.668 -5.052) 10.333 8.973 ( -0.548 -1.954 6.467) 6.778 9.064 ( 2.254 -2.549 1.648) 3.781 9.099 ( 2.044 -2.220 -2.808) 4.122 9.136 ( -4.169 1.221 -5.524) 7.027 9.212 ( 1.413 4.704 1.596) 5.165 9.260 ( -2.049 3.932 -2.530) 5.105 9.460 ( -0.779 -0.786 1.746) 2.068 9.508 ( -1.423 3.282 4.273) 5.573 9.523 ( -0.310 -2.625 -2.654) 3.746 9.595 ( 0.515 1.572 -3.433) 3.811 9.640 ( 2.350 0.616 3.395) 4.175 9.743 ( -2.676 -2.858 -4.799) 6.193 9.820 ( 0.627 0.380 4.677) 4.734 9.918 ( 1.151 -1.342 3.271) 3.718 9.926 ( 0.630 -0.979 -3.398) 3.591 9.973 ( -0.455 -1.611 -1.770) 2.436 10.067 ( -2.955 -0.305 3.741) 4.777 10.097 ( -1.403 -1.382 3.049) 3.630 10.245 ( 3.845 1.034 -6.085) 7.272 10.325 ( -0.171 -1.106 -10.345) 10.405 10.509 ( 3.594 0.040 8.478) 9.208 10.650 ( -2.157 -0.926 -4.553) 5.122 10.841 ( -1.918 -6.211 5.308) 8.392 10.916 ( 3.062 -9.372 -0.481) 9.871 11.094 ( 0.363 -0.741 3.618) 3.710 11.151 ( 1.123 2.423 0.088) 2.672 11.249 ( 7.445 -2.911 0.102) 7.995 11.302 ( -7.131 0.142 -3.165) 7.803 11.420 ( 0.219 -0.466 6.007) 6.030 11.522 ( -0.243 -0.636 -0.938) 1.159 11.530 ( -1.555 -1.512 4.502) 4.997 11.640 ( 2.981 -2.239 -4.228) 5.637 11.800 ( -1.936 7.934 3.057) 8.720 11.896 ( 3.597 11.803 -6.052) 13.743 12.194 ( 2.094 -2.686 8.151) 8.833 12.361 ( -2.429 -2.982 -7.311) 8.261 13.090 ( -1.726 8.841 5.668) 10.643 13.225 ( 2.379 11.671 -7.341) 13.991 13.538 ( -1.911 -3.359 5.545) 6.759 13.669 ( 2.262 -2.575 -6.432) 7.288 15.115 ( 0.883 2.978 1.392) 3.404 15.151 ( -0.672 3.355 -2.267) 4.105 15.596 ( 0.166 -1.826 0.224) 1.848 15.616 ( 1.361 -1.652 -1.758) 2.769 16.207 ( 0.993 0.837 1.556) 2.027 16.243 ( -0.983 0.087 -1.754) 2.013 16.549 ( -3.569 0.248 4.297) 5.591 16.627 ( 4.433 -1.868 -3.000) 5.670 16.996 ( -4.234 3.528 2.555) 6.075 17.027 ( 6.447 3.861 -0.071) 7.515 17.196 ( 3.823 -1.441 3.508) 5.385 17.274 ( -5.264 -2.097 -3.755) 6.798 17.497 ( 0.315 -0.089 0.169) 0.368 17.510 ( -2.540 0.387 -0.485) 2.615 17.911 ( -2.047 -6.315 4.833) 8.211 17.989 ( 2.002 -7.472 -2.167) 8.033 18.138 ( 0.834 0.691 0.466) 1.179 18.171 ( -1.931 0.250 -2.552) 3.211 18.442 ( -1.073 1.014 3.313) 3.627 18.507 ( 0.702 -0.428 -2.552) 2.681 18.789 ( -0.483 0.908 9.123) 9.181 18.913 ( -0.413 -1.645 4.109) 4.445 18.983 ( -0.169 0.236 -8.854) 8.859 19.023 ( 0.852 0.593 -6.536) 6.618 19.414 ( 0.363 0.741 0.344) 0.894 19.428 ( -0.459 1.000 -0.948) 1.452 19.479 ( 0.060 -0.565 1.135) 1.269 19.497 ( 0.110 -0.388 -0.533) 0.668 ======================= Grid point 72 (38/48) ======================= q-point: ( 0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 9.290 11.686 4.812) 15.685 1.624 ( 13.096 9.976 6.080) 17.549 1.806 ( 4.215 13.240 -8.773) 16.432 1.842 ( 10.639 8.239 2.590) 13.704 2.163 ( 2.028 -3.495 -6.853) 7.955 2.203 ( 4.158 -4.082 3.113) 6.606 2.351 ( -2.090 2.360 3.890) 5.007 2.519 ( 3.632 1.276 -0.970) 3.969 2.543 ( -0.381 -2.565 9.614) 9.958 2.591 ( -4.736 0.276 0.817) 4.814 2.670 ( 0.625 -0.860 0.726) 1.287 2.779 ( -5.844 -4.404 6.026) 9.479 2.830 ( 1.584 -1.078 6.180) 6.470 2.886 ( 2.699 -5.258 0.080) 5.911 2.934 ( -0.573 1.109 3.349) 3.574 3.022 ( 6.170 -4.352 7.417) 10.584 3.061 ( 6.604 -0.725 4.301) 7.914 3.148 ( -1.684 -3.280 2.293) 4.342 3.154 ( -2.104 -4.765 4.171) 6.673 3.185 ( -1.427 -1.444 -0.069) 2.031 3.250 ( 3.837 2.316 -7.217) 8.495 3.352 ( 2.113 4.614 -1.059) 5.184 3.462 ( -1.412 -5.189 -3.872) 6.626 3.485 ( 0.056 0.655 -5.301) 5.342 3.509 ( -6.524 -1.073 0.804) 6.660 3.529 ( 2.418 2.768 -7.083) 7.980 3.592 ( -1.065 2.197 1.782) 3.023 3.652 ( 1.039 5.573 1.473) 5.857 3.678 ( -0.300 0.046 -2.615) 2.633 3.734 ( 0.865 -1.664 6.400) 6.669 3.782 ( 3.685 3.493 -2.044) 5.474 3.815 ( -0.428 3.453 -0.972) 3.612 3.844 ( 1.140 -1.033 0.949) 1.807 3.889 ( -0.602 -1.041 -3.307) 3.519 3.934 ( -2.584 0.269 -0.834) 2.728 3.990 ( -2.995 0.829 -4.619) 5.567 4.090 ( -2.950 -8.242 0.062) 8.754 4.098 ( 0.927 -1.682 -1.977) 2.756 4.164 ( 0.995 0.343 -4.465) 4.587 4.231 ( -0.121 -3.380 2.092) 3.977 4.248 ( -1.727 0.857 2.439) 3.109 4.295 ( 4.063 0.433 -3.409) 5.322 4.393 ( 2.211 2.195 3.951) 5.032 4.447 ( -0.584 2.025 1.644) 2.673 4.473 ( 0.618 -2.818 -2.162) 3.605 4.540 ( 3.566 -2.378 -0.156) 4.289 4.571 ( -2.896 -3.613 4.814) 6.680 4.624 ( 0.427 -4.967 -4.990) 7.054 4.663 ( 3.769 1.966 1.177) 4.411 4.697 ( 5.266 3.266 -3.263) 7.003 4.761 ( 1.934 -1.199 -2.214) 3.175 4.810 ( 1.113 0.524 0.766) 1.449 4.838 ( -5.104 3.662 2.398) 6.724 4.969 ( -5.148 -3.117 4.172) 7.323 4.996 ( -2.040 0.615 -0.067) 2.132 5.058 ( -5.166 -1.288 -0.861) 5.393 5.077 ( -8.521 1.444 3.787) 9.435 5.136 ( -1.008 0.857 1.302) 1.857 5.170 ( -0.147 2.130 1.988) 2.917 5.229 ( 5.089 5.147 0.140) 7.239 5.293 ( -2.153 3.681 0.513) 4.295 5.342 ( -0.546 3.288 -3.889) 5.121 5.367 ( -2.450 0.710 -3.702) 4.496 5.430 ( -0.152 -0.721 -1.967) 2.100 5.465 ( -3.931 -2.561 1.651) 4.974 5.497 ( -0.607 2.093 -1.988) 2.950 5.534 ( -0.975 -2.034 -2.598) 3.441 5.552 ( 0.376 2.826 0.399) 2.879 5.624 ( 0.057 -3.151 -1.672) 3.567 5.635 ( -2.504 -1.384 -2.687) 3.925 5.641 ( -4.343 1.831 8.272) 9.521 5.754 ( -1.154 2.316 -0.847) 2.722 5.783 ( -6.979 2.018 -0.646) 7.294 5.806 ( 2.754 -1.704 -3.020) 4.428 5.807 ( -4.934 1.517 -2.887) 5.914 5.885 ( -1.117 -4.379 0.690) 4.571 5.948 ( -0.215 -4.483 2.062) 4.940 6.001 ( -0.860 -1.239 4.770) 5.003 6.064 ( -3.030 -2.106 3.585) 5.144 6.088 ( -1.166 -1.871 -1.878) 2.896 6.168 ( -3.147 -3.303 -8.887) 9.990 6.197 ( -0.746 -1.034 -0.365) 1.326 6.256 ( -1.748 0.051 -1.257) 2.154 6.288 ( -1.206 1.840 -0.304) 2.220 6.298 ( 0.288 0.999 -2.910) 3.090 6.372 ( -3.531 0.389 1.952) 4.053 6.456 ( -3.156 -3.888 1.933) 5.367 6.465 ( 3.912 0.600 -3.927) 5.575 6.490 ( 1.426 1.798 1.078) 2.535 6.522 ( 1.707 -3.540 4.712) 6.136 6.632 ( -1.511 -0.886 -0.995) 2.014 6.686 ( 0.235 -2.448 -1.344) 2.802 6.702 ( 0.291 0.787 -0.978) 1.289 6.715 ( 2.558 -2.817 0.393) 3.826 6.793 ( -1.559 -2.330 -0.502) 2.848 6.805 ( 2.184 1.273 -5.712) 6.246 6.877 ( 2.288 -0.403 -2.628) 3.507 6.911 ( 1.625 3.557 -1.574) 4.215 6.943 ( -2.695 0.390 -0.335) 2.744 7.019 ( -1.677 0.900 -1.482) 2.412 7.043 ( -3.200 1.218 -2.014) 3.972 7.064 ( -2.577 -3.017 0.679) 4.026 7.123 ( 0.597 -0.373 -0.882) 1.129 7.204 ( -4.797 1.960 0.967) 5.271 7.232 ( -3.533 -1.484 -3.116) 4.939 7.293 ( -2.693 0.288 -0.219) 2.718 7.347 ( -3.671 -0.998 2.239) 4.414 7.377 ( -1.995 3.815 -0.788) 4.376 7.460 ( -1.452 8.183 2.168) 8.589 7.500 ( 0.892 0.822 0.234) 1.235 7.561 ( 2.077 1.279 0.975) 2.627 7.608 ( 1.036 1.160 2.397) 2.857 7.660 ( 9.498 7.822 0.789) 12.329 7.724 ( -0.867 0.903 1.313) 1.814 7.801 ( -1.868 -1.371 -0.036) 2.318 7.829 ( 1.574 -2.547 0.233) 3.003 7.882 ( 0.754 -2.260 -0.748) 2.497 7.930 ( -0.679 0.969 -0.731) 1.391 7.972 ( -3.178 -0.126 1.295) 3.434 8.039 ( 2.799 -0.341 1.402) 3.149 8.101 ( -0.036 2.267 2.161) 3.132 8.141 ( -5.237 -3.276 -0.974) 6.254 8.193 ( -3.140 -3.532 0.579) 4.761 8.243 ( 1.260 -0.834 0.025) 1.511 8.307 ( 1.771 -2.971 2.269) 4.137 8.315 ( 0.109 1.379 5.204) 5.385 8.404 ( 2.839 2.557 3.657) 5.289 8.448 ( 0.770 1.469 2.052) 2.639 8.546 ( 4.253 -4.176 0.423) 5.976 8.576 ( 6.021 -1.670 1.309) 6.384 8.596 ( 5.257 0.137 -1.687) 5.523 8.647 ( -2.181 0.605 -1.135) 2.532 8.739 ( 3.713 -2.053 -1.309) 4.440 8.757 ( 5.157 -0.160 -0.970) 5.250 8.773 ( 3.873 0.363 2.361) 4.550 8.914 ( 6.633 4.537 4.384) 9.155 8.975 ( -1.710 -4.883 0.609) 5.210 9.049 ( 1.083 1.383 0.663) 1.877 9.120 ( 2.265 0.498 -2.379) 3.323 9.154 ( 1.902 5.616 1.438) 6.101 9.209 ( 1.502 -1.162 0.320) 1.926 9.315 ( 6.303 0.889 -0.080) 6.366 9.448 ( -3.873 1.938 0.792) 4.402 9.472 ( 0.207 -3.153 3.902) 5.021 9.535 ( -1.437 -0.505 -1.256) 1.974 9.562 ( 2.276 3.191 0.585) 3.963 9.689 ( 0.250 -1.686 -2.501) 3.027 9.714 ( 1.065 0.815 3.417) 3.671 9.857 ( -2.421 -0.528 4.450) 5.094 9.872 ( -2.041 -1.194 -1.964) 3.073 9.951 ( -0.716 -3.388 0.723) 3.538 9.961 ( 0.082 0.893 -3.228) 3.350 10.015 ( -3.126 -1.373 -1.140) 3.599 10.089 ( -0.410 -3.966 2.938) 4.953 10.224 ( -1.409 0.993 -1.268) 2.140 10.240 ( -2.608 -1.310 -6.004) 6.675 10.585 ( -0.207 1.497 -6.216) 6.397 10.638 ( 3.856 -0.338 5.163) 6.453 10.800 ( -3.429 -4.146 2.746) 6.040 10.939 ( -3.486 -5.489 -0.650) 6.535 11.056 ( -1.380 0.889 -2.813) 3.257 11.165 ( -0.611 5.877 -1.345) 6.060 11.256 ( 5.216 -4.204 -1.727) 6.918 11.399 ( 4.656 0.359 3.012) 5.557 11.470 ( -1.935 1.982 0.697) 2.856 11.503 ( 4.172 1.151 1.648) 4.631 11.553 ( 0.240 -3.915 3.881) 5.518 11.662 ( 2.387 -2.700 -6.172) 7.147 11.784 ( -0.904 6.455 1.893) 6.787 11.945 ( 4.535 3.770 -6.345) 8.663 12.216 ( -7.077 -2.460 -6.825) 10.135 12.233 ( -3.452 -3.631 7.622) 9.121 13.084 ( -2.142 8.463 4.990) 10.055 13.213 ( 0.738 11.446 -6.406) 13.138 13.526 ( -2.737 -3.583 5.443) 7.068 13.662 ( 1.192 -2.600 -6.517) 7.117 15.133 ( 2.362 1.565 0.246) 2.844 15.225 ( 6.496 1.661 -1.367) 6.842 15.604 ( 1.565 -1.555 -1.352) 2.588 15.655 ( 3.001 -0.170 -2.070) 3.650 16.213 ( -0.821 0.566 -1.469) 1.776 16.238 ( 1.030 -0.041 1.439) 1.770 16.479 ( -5.040 2.099 3.274) 6.366 16.657 ( 0.087 -1.485 -4.266) 4.518 16.913 ( -2.643 2.103 0.168) 3.382 17.128 ( -5.704 -2.522 -3.975) 7.396 17.224 ( 9.559 0.685 0.126) 9.584 17.289 ( 2.696 -1.676 4.267) 5.319 17.448 ( -2.616 1.674 2.251) 3.835 17.510 ( -0.218 2.229 0.878) 2.406 17.910 ( -1.173 -6.518 4.175) 7.829 17.997 ( -0.032 -6.467 -2.248) 6.847 18.140 ( 1.667 2.561 -1.084) 3.243 18.219 ( 5.286 -1.446 1.412) 5.659 18.452 ( 0.044 0.990 3.531) 3.667 18.519 ( 2.003 -0.451 -2.461) 3.205 18.804 ( -3.576 0.491 7.885) 8.672 18.864 ( -5.916 1.594 0.228) 6.131 18.896 ( -4.256 -1.641 -4.208) 6.206 18.945 ( -4.100 0.055 -4.383) 6.002 19.413 ( 0.245 0.964 -0.350) 1.054 19.432 ( 0.472 0.540 -0.006) 0.717 19.471 ( -0.859 -0.543 0.017) 1.017 19.501 ( 0.159 0.102 -0.243) 0.308 ======================= Grid point 73 (39/48) ======================= q-point: ( 0.33 0.20 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( 7.460 7.991 -3.085) 11.359 1.878 ( 15.591 8.367 -2.788) 17.913 1.985 ( 11.224 7.098 3.657) 13.775 2.071 ( 8.137 6.675 4.859) 11.592 2.146 ( 1.554 3.646 -6.553) 7.659 2.211 ( -4.895 1.158 3.044) 5.880 2.395 ( 5.179 -5.843 -0.865) 7.855 2.500 ( -0.646 -1.043 -3.596) 3.800 2.571 ( -0.973 3.491 11.100) 11.677 2.619 ( -1.637 -3.223 2.263) 4.265 2.656 ( 0.417 -0.647 1.136) 1.373 2.713 ( 0.032 0.127 0.198) 0.237 2.863 ( -8.392 -2.135 8.441) 12.092 2.923 ( 2.237 -2.262 1.365) 3.462 2.971 ( 3.244 -4.308 7.372) 9.134 3.064 ( 0.993 0.750 -7.556) 7.658 3.083 ( -1.437 -3.511 -1.552) 4.099 3.118 ( 0.220 1.682 4.820) 5.110 3.232 ( 2.066 -4.033 0.616) 4.573 3.265 ( 1.867 -7.072 1.302) 7.429 3.322 ( 0.369 -1.234 -5.404) 5.555 3.346 ( -4.141 0.367 -3.144) 5.212 3.387 ( 3.141 2.264 -8.006) 8.893 3.449 ( 0.623 -3.648 -1.988) 4.201 3.465 ( 1.331 0.469 10.581) 10.675 3.540 ( -0.421 2.363 -0.692) 2.498 3.613 ( -2.955 -1.826 -0.404) 3.497 3.663 ( 1.765 0.922 2.399) 3.118 3.679 ( -1.013 -0.755 -5.066) 5.221 3.729 ( -2.639 2.963 3.179) 5.084 3.760 ( 0.923 1.805 3.600) 4.131 3.797 ( 0.360 2.056 -8.899) 9.141 3.855 ( -0.204 2.912 -5.561) 6.281 3.948 ( 5.182 -0.492 1.777) 5.500 3.962 ( 4.918 1.847 4.564) 6.959 3.993 ( 3.262 -3.474 1.284) 4.936 4.048 ( -1.443 -1.372 2.421) 3.135 4.140 ( 4.375 2.340 1.610) 5.216 4.156 ( -0.914 0.604 -2.016) 2.295 4.238 ( 4.936 -0.065 -4.144) 6.445 4.309 ( 4.217 2.686 2.989) 5.825 4.362 ( -1.646 -5.252 -0.737) 5.553 4.374 ( -2.080 -0.049 -1.464) 2.544 4.439 ( 0.124 4.091 1.025) 4.220 4.473 ( -6.007 -0.661 3.430) 6.949 4.522 ( 0.484 4.385 2.124) 4.896 4.565 ( 0.942 -10.891 -1.320) 11.011 4.654 ( 3.197 1.203 -4.786) 5.879 4.676 ( -1.554 -1.831 0.414) 2.437 4.730 ( -6.781 0.817 5.336) 8.667 4.764 ( -3.527 -0.095 2.494) 4.321 4.801 ( -3.651 -1.566 1.866) 4.389 4.828 ( -1.915 -2.252 0.908) 3.093 4.866 ( -2.328 1.734 0.525) 2.950 4.873 ( -4.415 1.989 4.010) 6.287 4.962 ( 1.177 -2.681 -0.591) 2.987 5.038 ( 0.970 2.391 5.061) 5.681 5.096 ( -3.265 -2.470 3.569) 5.431 5.147 ( -2.567 0.227 -2.715) 3.743 5.237 ( 0.024 2.725 2.956) 4.021 5.265 ( -7.377 0.443 -1.423) 7.526 5.282 ( -1.943 1.139 -4.690) 5.203 5.354 ( 1.015 0.112 -1.285) 1.641 5.388 ( -1.956 4.140 0.439) 4.600 5.449 ( 0.655 0.738 0.001) 0.987 5.455 ( -1.498 2.578 -0.844) 3.098 5.493 ( -0.836 0.608 1.031) 1.460 5.528 ( -0.099 0.388 -3.120) 3.145 5.550 ( -4.526 3.755 -1.592) 6.093 5.595 ( -1.075 -1.439 -4.548) 4.890 5.647 ( -1.850 -2.373 3.338) 4.494 5.687 ( 0.621 1.145 1.265) 1.816 5.740 ( 3.406 1.625 1.552) 4.080 5.768 ( 2.270 0.154 -6.110) 6.519 5.859 ( 1.359 -0.813 -2.274) 2.771 5.883 ( 0.202 -1.037 -1.866) 2.145 5.963 ( -5.430 0.735 0.882) 5.550 5.989 ( 4.578 -4.583 -1.923) 6.757 6.037 ( -0.902 -4.457 -1.220) 4.708 6.062 ( -1.400 0.027 -1.157) 1.816 6.076 ( -1.822 -1.004 -0.144) 2.085 6.140 ( -2.880 0.446 -2.387) 3.767 6.149 ( -7.567 -0.465 3.636) 8.408 6.204 ( -5.572 2.162 -1.830) 6.251 6.274 ( -0.690 -0.616 -2.584) 2.745 6.349 ( 1.622 2.120 -3.098) 4.089 6.417 ( 2.784 -3.759 -0.525) 4.707 6.471 ( -4.420 1.224 -2.240) 5.104 6.514 ( -0.208 1.181 -0.040) 1.200 6.572 ( -0.057 0.464 4.191) 4.217 6.589 ( 0.578 3.339 0.177) 3.394 6.650 ( -2.240 -2.619 -0.916) 3.566 6.674 ( -6.916 2.296 -0.254) 7.292 6.733 ( -4.623 0.088 -4.480) 6.438 6.776 ( 0.742 -2.476 -0.997) 2.771 6.784 ( 1.929 -0.787 -1.824) 2.769 6.831 ( 3.001 -2.985 -1.770) 4.588 6.895 ( -2.163 -0.712 -1.856) 2.938 6.938 ( -1.872 -0.233 -5.769) 6.070 6.993 ( -3.084 -0.019 -1.367) 3.373 7.023 ( 4.394 -2.164 -5.707) 7.521 7.091 ( -0.231 -3.009 -3.571) 4.675 7.121 ( 1.868 -1.093 4.414) 4.916 7.196 ( -0.565 -4.943 -0.028) 4.976 7.220 ( 0.385 2.912 -2.580) 3.910 7.260 ( 9.885 0.317 4.100) 10.706 7.320 ( -1.557 -1.408 2.594) 3.337 7.355 ( -0.997 4.072 -2.204) 4.737 7.415 ( -1.792 5.330 -0.522) 5.647 7.526 ( -1.296 5.363 1.488) 5.715 7.575 ( 0.665 1.513 2.258) 2.798 7.657 ( -0.928 -2.852 4.407) 5.331 7.689 ( -0.764 3.852 -0.299) 3.938 7.785 ( -0.653 1.337 -0.461) 1.558 7.814 ( -0.516 -4.915 2.821) 5.691 7.834 ( -0.310 -1.177 0.548) 1.335 7.871 ( 2.712 0.370 0.558) 2.793 7.907 ( 1.552 2.814 -0.290) 3.227 7.981 ( 2.531 -0.083 1.282) 2.839 8.054 ( -2.121 -1.325 -0.989) 2.689 8.060 ( -2.964 0.674 2.261) 3.789 8.113 ( -0.993 2.309 -0.562) 2.576 8.146 ( -0.755 -3.977 0.710) 4.110 8.260 ( 1.692 -0.912 -2.315) 3.009 8.333 ( -0.959 3.600 -2.206) 4.330 8.353 ( -0.639 0.091 1.142) 1.312 8.443 ( -1.636 5.080 6.220) 8.196 8.505 ( 2.714 -1.077 1.699) 3.379 8.571 ( 0.380 -5.229 1.560) 5.470 8.610 ( 0.461 -1.159 6.609) 6.726 8.614 ( -2.262 0.439 2.992) 3.777 8.691 ( 3.430 -1.740 -0.241) 3.853 8.813 ( 2.630 4.020 1.787) 5.125 8.836 ( 5.895 -1.078 -4.820) 7.691 8.938 ( 4.420 -0.600 5.073) 6.755 8.975 ( 1.633 -3.257 -1.550) 3.960 9.037 ( 5.801 4.348 2.063) 7.538 9.086 ( -1.863 6.894 -0.392) 7.152 9.102 ( 0.608 2.357 1.621) 2.924 9.261 ( 8.786 -1.786 -0.262) 8.970 9.292 ( 3.348 -3.361 2.465) 5.347 9.387 ( 1.432 -2.629 1.491) 3.345 9.430 ( -0.007 -1.468 -0.641) 1.602 9.469 ( -0.073 -2.640 1.020) 2.831 9.547 ( 0.885 -0.163 -0.448) 1.005 9.613 ( -2.264 -0.242 -0.320) 2.299 9.694 ( -5.864 -2.283 1.814) 6.549 9.742 ( 3.058 0.311 -0.054) 3.074 9.763 ( -0.696 -2.427 0.986) 2.711 9.847 ( -3.545 0.551 -4.178) 5.507 9.878 ( 0.059 1.009 1.295) 1.643 9.949 ( 1.687 -1.662 -0.789) 2.496 10.030 ( 2.835 -3.183 1.364) 4.476 10.122 ( 0.544 -4.111 -1.075) 4.284 10.178 ( 2.840 0.532 1.528) 3.269 10.261 ( 2.314 0.275 4.423) 4.999 10.570 ( 1.835 0.996 -3.855) 4.384 10.663 ( -2.119 -2.885 -3.910) 5.301 10.765 ( -3.613 0.289 5.932) 6.952 10.795 ( -8.063 0.523 -2.741) 8.532 11.044 ( 1.512 2.545 -2.377) 3.796 11.150 ( -0.693 6.792 -3.810) 7.818 11.342 ( 2.220 -3.781 1.035) 4.505 11.452 ( 0.887 3.605 3.234) 4.923 11.471 ( 1.964 2.733 1.963) 3.897 11.559 ( 1.059 -1.959 -2.860) 3.625 11.639 ( 4.403 1.393 1.237) 4.781 11.669 ( 2.512 -3.110 -3.506) 5.318 11.788 ( -0.010 3.178 2.087) 3.802 11.970 ( 2.160 -2.295 -6.148) 6.909 12.048 ( -4.836 -2.479 -4.699) 7.184 12.162 ( -7.757 -3.871 5.391) 10.209 13.074 ( -1.914 7.885 4.446) 9.252 13.182 ( 0.144 10.417 -5.411) 11.739 13.505 ( -2.666 -3.680 5.050) 6.794 13.638 ( 0.697 -2.986 -6.682) 7.352 15.213 ( 4.165 0.709 2.724) 5.027 15.335 ( 5.611 -1.723 -2.278) 6.296 15.634 ( 2.395 0.275 -2.475) 3.455 15.685 ( 1.176 1.169 -2.678) 3.150 16.208 ( 1.353 0.684 0.151) 1.524 16.265 ( 1.095 -1.142 1.193) 1.982 16.413 ( -3.511 3.438 1.926) 5.278 16.567 ( -5.983 -0.053 -4.909) 7.740 16.901 ( 0.932 0.557 -0.238) 1.111 17.010 ( -4.113 -1.826 -1.675) 4.802 17.331 ( -0.750 -2.169 5.568) 6.023 17.368 ( 3.826 -2.265 -2.155) 4.941 17.446 ( 0.043 2.576 4.075) 4.821 17.535 ( 3.767 4.407 -1.876) 6.094 17.909 ( -1.538 -7.986 4.463) 9.277 17.980 ( -0.311 -6.260 -1.091) 6.362 18.199 ( 4.569 4.943 0.522) 6.751 18.362 ( 7.712 -2.010 2.337) 8.306 18.486 ( 1.065 0.961 3.439) 3.727 18.541 ( 0.753 0.938 -1.718) 2.098 18.738 ( -5.640 0.900 0.163) 5.714 18.751 ( -4.419 0.773 1.687) 4.793 18.769 ( -6.636 -1.341 -1.961) 7.048 18.824 ( -5.545 -0.082 -4.253) 6.989 19.420 ( 0.492 0.237 -0.152) 0.567 19.441 ( 0.512 0.685 -0.168) 0.872 19.455 ( -0.579 -0.594 -0.071) 0.833 19.495 ( -0.496 0.241 -0.567) 0.791 ======================= Grid point 74 (40/48) ======================= q-point: (-0.50 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( -7.305 5.582 9.195) 13.003 1.877 ( -14.293 11.081 1.082) 18.117 2.094 ( -4.052 1.802 8.991) 10.025 2.155 ( 1.299 4.743 -6.915) 8.485 2.198 ( 4.986 1.740 -2.223) 5.730 2.351 ( 12.180 1.744 10.379) 16.097 2.425 ( 1.967 -5.097 -12.014) 13.198 2.513 ( 1.885 2.798 -0.227) 3.381 2.590 ( -5.658 0.727 2.608) 6.273 2.626 ( 1.559 3.163 -4.843) 5.991 2.674 ( -2.845 -0.676 5.316) 6.067 2.713 ( 4.919 1.135 10.072) 11.266 2.826 ( -4.482 2.767 2.919) 6.022 2.923 ( 0.900 -5.714 0.446) 5.801 3.009 ( 2.615 0.116 -2.546) 3.651 3.073 ( 3.547 -5.598 -5.767) 8.785 3.093 ( -0.668 -3.072 2.052) 3.754 3.172 ( 2.451 3.926 2.453) 5.238 3.205 ( -1.494 -3.651 -1.926) 4.390 3.239 ( -2.231 -1.054 0.707) 2.567 3.282 ( -1.788 -6.413 -0.302) 6.664 3.306 ( -2.065 -3.062 -1.077) 3.847 3.408 ( -2.281 -3.645 -2.501) 4.974 3.435 ( -0.275 -1.443 -0.076) 1.471 3.480 ( -3.186 -0.524 -1.160) 3.431 3.530 ( 2.873 -1.868 -1.861) 3.900 3.567 ( -1.860 -0.353 1.828) 2.631 3.600 ( -4.583 1.439 -0.155) 4.806 3.673 ( -3.240 2.716 1.015) 4.348 3.715 ( 1.488 1.068 -0.073) 1.833 3.751 ( 1.254 0.879 -0.579) 1.637 3.831 ( -0.983 2.908 3.230) 4.456 3.876 ( 8.573 2.367 -6.615) 11.084 3.946 ( -0.175 -0.058 -6.282) 6.285 4.005 ( -5.630 2.214 2.759) 6.649 4.041 ( 2.242 -0.762 0.558) 2.432 4.088 ( -5.135 -0.170 9.225) 10.559 4.147 ( 5.619 -0.682 2.764) 6.299 4.201 ( 3.049 -2.579 -1.287) 4.196 4.246 ( -6.380 -3.885 -4.186) 8.562 4.348 ( 5.305 1.505 2.274) 5.965 4.372 ( -1.225 3.785 1.993) 4.450 4.396 ( -4.227 2.761 3.947) 6.409 4.413 ( 1.710 0.105 1.974) 2.614 4.474 ( 1.572 -2.590 0.063) 3.030 4.513 ( -1.465 -4.210 1.689) 4.767 4.552 ( -1.805 5.553 2.626) 6.403 4.625 ( 4.274 0.506 -5.608) 7.069 4.633 ( -5.264 -2.796 5.653) 8.215 4.675 ( -1.102 -0.157 1.684) 2.018 4.729 ( 0.051 -2.714 -2.988) 4.037 4.769 ( 1.710 0.521 1.103) 2.100 4.821 ( 2.557 -2.736 1.688) 4.108 4.876 ( 3.593 2.823 -5.484) 7.138 4.935 ( 5.795 0.645 1.138) 5.941 5.012 ( -2.119 0.055 -5.375) 5.778 5.060 ( 0.175 -0.878 8.256) 8.304 5.101 ( -0.155 3.131 2.556) 4.045 5.111 ( -0.159 -1.950 3.095) 3.661 5.176 ( 2.844 1.741 -2.233) 4.014 5.256 ( -4.921 -1.854 0.624) 5.295 5.273 ( 5.145 0.662 -0.860) 5.258 5.310 ( 3.584 0.481 1.294) 3.841 5.395 ( -3.552 -0.970 -4.868) 6.104 5.410 ( -3.340 2.928 0.686) 4.494 5.433 ( -2.127 1.680 -0.937) 2.868 5.449 ( 2.703 2.450 -4.159) 5.533 5.495 ( 0.192 3.028 0.867) 3.156 5.545 ( 2.365 -0.667 -0.884) 2.612 5.622 ( -1.022 -2.565 -2.653) 3.829 5.662 ( 5.437 -2.151 3.243) 6.687 5.700 ( -1.681 -1.633 -0.384) 2.375 5.752 ( 0.232 -0.618 1.411) 1.558 5.798 ( -1.987 0.699 -5.757) 6.131 5.847 ( -6.270 2.534 1.581) 6.945 5.859 ( 2.414 -1.228 -4.089) 4.905 5.912 ( 4.116 0.065 1.975) 4.566 5.981 ( -8.019 2.584 -1.640) 8.583 5.997 ( -3.464 1.620 1.462) 4.094 6.053 ( 2.637 -4.568 -3.063) 6.100 6.058 ( 4.454 3.427 -1.060) 5.719 6.099 ( 1.301 -1.643 -5.543) 5.926 6.134 ( 1.975 1.451 2.510) 3.508 6.152 ( 2.768 1.385 -0.237) 3.104 6.268 ( 0.409 -1.343 0.902) 1.669 6.313 ( 0.309 0.729 -5.231) 5.291 6.455 ( -2.794 4.360 -2.847) 5.909 6.468 ( -1.096 5.529 -2.789) 6.289 6.472 ( 2.677 0.782 1.594) 3.212 6.525 ( -1.300 -0.310 -2.488) 2.824 6.586 ( 0.439 1.409 3.727) 4.008 6.640 ( 2.917 -0.008 -2.206) 3.657 6.658 ( 0.753 -3.468 -0.084) 3.549 6.678 ( 0.950 -3.132 -2.834) 4.329 6.757 ( -2.466 -0.036 3.571) 4.339 6.771 ( -3.246 -1.526 1.415) 3.856 6.776 ( -3.505 -0.499 -2.689) 4.445 6.858 ( 2.001 -1.565 -3.551) 4.366 6.924 ( -2.935 -0.767 -0.152) 3.038 6.936 ( 0.298 -1.052 -1.851) 2.150 7.018 ( 1.103 -5.800 -4.042) 7.155 7.092 ( 1.398 -1.160 -7.148) 7.375 7.151 ( -1.319 -2.744 1.486) 3.388 7.202 ( 2.675 -3.198 -1.290) 4.364 7.222 ( -2.150 0.393 3.015) 3.723 7.280 ( 1.319 1.808 -3.450) 4.112 7.343 ( -0.251 2.609 -0.571) 2.683 7.382 ( 1.359 1.892 -3.397) 4.119 7.481 ( 4.471 -1.385 3.442) 5.810 7.511 ( 0.542 1.095 1.061) 1.618 7.604 ( 0.164 -0.454 2.000) 2.057 7.628 ( -0.338 -2.754 -0.304) 2.792 7.721 ( -4.298 -3.383 3.042) 6.259 7.758 ( 4.492 0.384 1.734) 4.830 7.826 ( -3.016 -0.326 2.875) 4.179 7.858 ( 3.539 5.765 1.748) 6.987 7.909 ( 2.891 1.762 1.098) 3.560 7.950 ( -6.920 4.628 1.062) 8.392 7.989 ( 0.775 -4.023 4.251) 5.904 8.027 ( -0.629 1.195 0.162) 1.361 8.049 ( 1.903 2.080 -1.531) 3.208 8.057 ( -0.416 2.642 -3.324) 4.266 8.130 ( -4.738 0.178 4.955) 6.858 8.242 ( -4.139 -1.576 -0.172) 4.433 8.277 ( -2.414 2.247 -2.433) 4.098 8.314 ( 2.166 -0.430 -2.588) 3.402 8.471 ( -0.880 2.631 7.731) 8.213 8.529 ( -2.353 -4.919 4.291) 6.939 8.575 ( -0.719 0.406 -2.236) 2.384 8.611 ( -0.662 -2.701 6.274) 6.863 8.714 ( 2.090 -0.537 1.285) 2.512 8.733 ( 1.187 0.818 7.023) 7.170 8.834 ( -2.875 -0.133 -1.815) 3.402 8.883 ( 3.842 3.037 2.548) 5.521 8.927 ( -0.510 0.553 -3.883) 3.955 9.000 ( -2.944 5.361 -3.248) 6.925 9.080 ( 3.878 1.008 0.788) 4.084 9.128 ( 1.957 2.918 -3.888) 5.241 9.194 ( 5.117 0.286 7.054) 8.719 9.309 ( -5.505 -2.251 -3.349) 6.826 9.409 ( 4.270 -2.754 3.968) 6.447 9.422 ( 3.294 -3.316 4.912) 6.781 9.435 ( 0.200 -1.022 0.360) 1.102 9.462 ( -2.489 0.605 0.912) 2.719 9.519 ( -2.905 -1.889 -1.758) 3.885 9.551 ( -1.732 -4.300 -4.046) 6.153 9.582 ( -5.148 0.881 -0.735) 5.274 9.654 ( 2.437 -0.286 -5.056) 5.620 9.779 ( 0.347 -3.693 4.553) 5.873 9.823 ( -1.820 -3.195 0.222) 3.684 9.957 ( 3.843 2.706 -1.690) 4.994 10.009 ( -1.542 -0.797 -5.456) 5.725 10.095 ( 7.003 -4.411 4.459) 9.402 10.134 ( 0.373 -3.440 0.546) 3.503 10.279 ( -0.511 1.283 2.593) 2.937 10.337 ( 4.932 -0.989 -1.639) 5.291 10.549 ( -4.366 0.506 -0.098) 4.396 10.578 ( -0.603 0.500 -2.250) 2.382 10.698 ( -0.632 -0.987 2.567) 2.822 10.736 ( 0.835 -0.366 -0.258) 0.947 11.069 ( -1.179 5.023 -0.158) 5.162 11.079 ( -2.096 5.896 -1.030) 6.341 11.364 ( -0.650 -2.005 3.465) 4.056 11.466 ( -1.441 -0.009 -3.488) 3.774 11.517 ( 1.908 2.773 1.991) 3.911 11.585 ( 2.577 0.149 -3.078) 4.017 11.632 ( -2.293 -0.284 0.350) 2.337 11.677 ( -1.651 2.761 -2.506) 4.077 11.824 ( 0.643 -1.137 5.229) 5.390 11.945 ( -0.944 -2.595 -5.680) 6.316 12.022 ( -7.394 -2.688 2.528) 8.263 12.071 ( 8.331 -2.912 -1.978) 9.044 13.065 ( -1.799 7.735 4.457) 9.107 13.166 ( 1.725 9.434 -4.982) 10.808 13.492 ( -1.720 -3.686 5.104) 6.527 13.618 ( 1.733 -3.321 -6.526) 7.524 15.287 ( 0.205 0.028 4.421) 4.426 15.395 ( 2.577 -3.212 -5.253) 6.675 15.656 ( 0.444 1.574 -2.281) 2.806 15.664 ( -0.482 1.903 -2.704) 3.342 16.271 ( 3.238 0.241 1.826) 3.725 16.289 ( -0.369 -0.509 0.328) 0.709 16.372 ( -0.744 2.096 1.605) 2.743 16.418 ( -4.594 0.987 -2.620) 5.380 16.932 ( 1.737 -0.153 -0.128) 1.748 16.944 ( -1.662 -0.146 -1.182) 2.045 17.329 ( -2.863 -1.044 5.194) 6.022 17.393 ( 1.116 -1.444 -0.380) 1.865 17.468 ( -0.949 1.689 3.767) 4.236 17.588 ( 3.166 3.132 -6.149) 7.592 17.918 ( -0.448 -10.294 5.031) 11.466 17.969 ( -0.352 -7.056 -0.855) 7.117 18.318 ( 4.941 6.473 4.426) 9.268 18.424 ( -4.594 4.568 -3.968) 7.598 18.524 ( 2.076 -0.708 3.829) 4.413 18.578 ( 4.003 1.029 3.857) 5.653 18.621 ( -6.220 -1.184 -1.182) 6.441 18.665 ( -3.047 -0.540 1.780) 3.570 18.699 ( -3.073 -0.252 -4.397) 5.371 18.749 ( 5.705 -0.654 -4.342) 7.199 19.427 ( -0.077 0.109 0.302) 0.330 19.441 ( 0.255 0.582 -0.994) 1.180 19.460 ( 0.307 -0.600 0.840) 1.077 19.480 ( -0.313 0.149 -0.996) 1.055 ======================= Grid point 75 (41/48) ======================= q-point: (-0.33 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -18.688 16.097 10.396) 26.766 1.595 ( -18.388 6.016 16.246) 25.264 2.001 ( -9.642 1.266 5.775) 11.310 2.059 ( -8.522 2.785 -1.461) 9.083 2.177 ( -6.523 -6.264 5.526) 10.598 2.379 ( -4.476 5.257 -13.226) 14.920 2.404 ( 1.296 -2.770 -8.327) 8.871 2.479 ( -13.953 2.920 8.937) 16.825 2.540 ( -2.726 -4.227 7.560) 9.080 2.641 ( 1.308 5.563 3.331) 6.615 2.670 ( 4.325 0.281 -3.585) 5.625 2.751 ( 0.318 3.031 1.415) 3.360 2.873 ( 0.345 2.327 5.812) 6.270 2.967 ( 0.357 -5.868 2.924) 6.566 3.011 ( -0.746 -0.372 -6.250) 6.305 3.075 ( 0.410 2.035 -0.440) 2.122 3.109 ( -3.522 0.868 3.742) 5.211 3.159 ( -2.706 0.345 -5.798) 6.408 3.175 ( 5.747 -4.895 1.191) 7.643 3.239 ( 0.949 -0.610 -2.488) 2.732 3.272 ( 1.091 -3.872 -2.915) 4.968 3.299 ( 3.224 -1.564 0.076) 3.585 3.354 ( 0.067 -3.012 2.121) 3.684 3.415 ( -0.449 2.028 0.375) 2.111 3.459 ( 5.720 -4.170 -1.992) 7.354 3.536 ( -3.913 -0.732 4.456) 5.975 3.560 ( 3.882 2.808 0.395) 4.807 3.652 ( 4.232 1.046 2.511) 5.031 3.697 ( 4.240 -0.127 -0.815) 4.319 3.767 ( 1.589 2.063 -1.356) 2.935 3.790 ( -6.565 2.103 -0.135) 6.895 3.804 ( 3.233 -3.206 1.380) 4.757 3.873 ( -3.610 -3.287 -0.577) 4.916 3.903 ( -0.733 -1.348 0.637) 1.661 3.988 ( -3.126 -2.210 1.711) 4.193 4.032 ( 5.016 -2.430 -2.341) 6.045 4.048 ( -5.379 -0.546 -0.893) 5.480 4.123 ( -1.598 0.421 -1.059) 1.963 4.218 ( -0.477 0.381 -1.420) 1.546 4.269 ( 2.522 1.617 -2.632) 3.988 4.301 ( -3.441 -0.046 0.647) 3.502 4.361 ( 0.546 -2.914 0.245) 2.975 4.398 ( -2.426 3.149 2.346) 4.616 4.437 ( -1.356 -3.996 1.372) 4.438 4.466 ( -0.785 1.839 -2.817) 3.454 4.514 ( -1.921 -0.369 2.815) 3.428 4.584 ( 3.130 -5.507 -2.136) 6.685 4.596 ( 0.845 2.688 2.766) 3.948 4.651 ( -0.953 -0.878 1.116) 1.710 4.715 ( 0.063 5.731 1.363) 5.891 4.742 ( 2.774 -1.474 3.144) 4.445 4.806 ( 0.767 3.664 1.157) 3.918 4.851 ( 3.114 0.183 -7.777) 8.380 4.897 ( 2.938 0.655 -0.587) 3.067 5.036 ( 4.513 -0.862 -4.976) 6.773 5.058 ( -2.387 -0.946 -0.569) 2.629 5.100 ( 1.742 -1.808 2.395) 3.470 5.119 ( -2.510 -1.474 0.244) 2.921 5.174 ( 3.184 -2.812 -3.519) 5.516 5.185 ( 6.165 3.094 1.707) 7.106 5.245 ( 6.660 3.019 0.689) 7.345 5.286 ( -0.119 2.618 -1.367) 2.956 5.320 ( -3.310 1.455 3.412) 4.971 5.380 ( 1.402 1.640 -2.808) 3.541 5.407 ( 1.881 -0.912 -1.451) 2.545 5.449 ( 4.204 -1.446 2.585) 5.143 5.511 ( 1.673 4.154 -3.045) 5.415 5.527 ( 6.997 4.764 -2.796) 8.915 5.583 ( 2.254 -1.575 2.765) 3.899 5.597 ( -0.305 -2.213 -1.912) 2.941 5.628 ( -2.116 -2.217 -2.027) 3.674 5.710 ( -0.536 2.577 -3.886) 4.694 5.727 ( -1.925 3.355 -4.627) 6.031 5.765 ( -0.841 -2.279 2.825) 3.726 5.781 ( 2.085 -2.538 2.551) 4.159 5.847 ( -1.988 2.521 -1.829) 3.695 5.933 ( -0.351 -1.433 1.228) 1.920 5.975 ( 3.316 0.542 3.395) 4.776 6.025 ( -1.038 -1.625 0.505) 1.993 6.052 ( 4.079 -0.920 1.951) 4.614 6.092 ( 0.596 -2.095 -4.447) 4.951 6.153 ( 1.342 1.582 -0.131) 2.079 6.201 ( 5.555 3.515 -3.146) 7.287 6.242 ( 7.617 1.200 -2.163) 8.008 6.298 ( 4.551 -0.203 2.491) 5.192 6.324 ( 1.217 -0.965 -5.841) 6.044 6.409 ( -1.878 0.197 -0.827) 2.062 6.424 ( -1.691 1.315 -3.204) 3.853 6.531 ( 1.387 -0.779 5.983) 6.191 6.559 ( 3.575 -1.199 -0.792) 3.853 6.583 ( 3.024 2.110 -0.230) 3.695 6.639 ( 0.723 -1.385 2.775) 3.185 6.665 ( 1.938 3.009 -2.204) 4.203 6.705 ( 0.948 -1.500 0.169) 1.782 6.728 ( -0.370 -3.537 -1.114) 3.726 6.778 ( 2.671 -0.668 -0.953) 2.914 6.847 ( 2.765 -1.223 6.509) 7.177 6.871 ( -1.074 -0.949 -0.650) 1.573 6.883 ( 2.791 0.788 0.709) 2.986 6.941 ( 0.584 -1.518 -1.296) 2.079 7.015 ( 0.325 -3.706 -2.582) 4.528 7.051 ( -0.597 -0.649 -3.228) 3.346 7.138 ( 0.068 -1.764 1.512) 2.325 7.201 ( -2.475 -0.208 -0.870) 2.632 7.219 ( 1.951 -3.123 -1.932) 4.158 7.301 ( -0.118 2.549 -3.904) 4.664 7.339 ( 1.353 2.863 1.573) 3.535 7.383 ( -0.676 -2.966 -3.661) 4.760 7.484 ( -0.503 -1.492 -3.043) 3.426 7.549 ( -0.146 4.213 -0.873) 4.305 7.603 ( -0.264 1.079 2.007) 2.294 7.648 ( 3.300 -1.214 1.566) 3.849 7.712 ( 0.943 -3.397 0.452) 3.555 7.760 ( -6.185 5.072 0.886) 8.047 7.814 ( -2.806 -3.195 2.089) 4.738 7.857 ( 0.812 2.906 -1.177) 3.238 7.871 ( -0.726 1.186 0.403) 1.448 7.908 ( -7.969 4.377 -0.191) 9.094 7.998 ( 0.133 -0.743 -0.009) 0.755 8.009 ( 1.848 1.811 2.990) 3.954 8.041 ( 1.015 -3.317 2.106) 4.058 8.086 ( -0.990 1.928 5.423) 5.840 8.145 ( 0.176 1.362 1.337) 1.917 8.169 ( 1.296 -1.791 1.898) 2.913 8.292 ( 2.497 4.513 0.636) 5.197 8.348 ( 1.523 0.155 1.495) 2.140 8.456 ( -5.922 -0.238 8.259) 10.165 8.488 ( -3.470 -4.885 3.368) 6.874 8.546 ( -1.903 1.859 0.086) 2.662 8.607 ( -3.235 -0.871 5.515) 6.453 8.702 ( -4.732 -0.762 0.426) 4.811 8.727 ( -1.136 -1.768 -4.166) 4.666 8.771 ( -2.754 -1.895 -2.407) 4.119 8.901 ( -0.375 0.422 -0.371) 0.676 8.934 ( -4.032 3.511 -3.555) 6.421 8.978 ( 2.239 3.300 2.597) 4.759 9.085 ( -1.246 2.910 -2.939) 4.319 9.135 ( -5.890 2.886 -3.952) 7.658 9.148 ( 0.498 -2.663 -2.699) 3.824 9.254 ( -5.565 -0.620 1.485) 5.793 9.342 ( -5.963 -2.641 -0.844) 6.576 9.392 ( -0.193 0.333 2.503) 2.533 9.446 ( -1.379 -3.284 -1.696) 3.945 9.461 ( -0.073 -2.189 0.846) 2.348 9.538 ( 2.218 0.059 -0.671) 2.318 9.557 ( 1.264 -1.066 3.671) 4.026 9.626 ( 7.215 -2.488 5.792) 9.581 9.738 ( -0.029 0.906 0.009) 0.907 9.772 ( 1.290 -2.348 -2.204) 3.469 9.837 ( 2.104 -6.562 2.365) 7.285 9.957 ( 0.860 0.689 -4.618) 4.748 10.003 ( 0.497 -1.828 0.471) 1.952 10.046 ( -2.704 -0.505 -6.812) 7.346 10.145 ( -1.659 -1.908 -3.840) 4.597 10.208 ( -4.860 1.213 -0.081) 5.010 10.391 ( 2.944 -1.411 -6.761) 7.508 10.530 ( 0.867 -2.819 5.884) 6.582 10.580 ( -6.767 -1.276 -3.192) 7.590 10.724 ( 9.248 3.225 4.006) 10.581 10.845 ( 5.857 -0.762 -0.941) 5.981 10.975 ( -4.982 3.728 3.620) 7.199 11.087 ( -0.926 4.741 1.719) 5.127 11.349 ( -3.905 -3.126 0.445) 5.021 11.412 ( -2.074 -4.064 4.287) 6.261 11.512 ( -2.377 2.876 -1.618) 4.067 11.547 ( -2.902 3.459 -3.396) 5.650 11.603 ( -0.753 1.158 2.696) 3.029 11.673 ( -0.793 2.096 -0.849) 2.396 11.810 ( -3.423 -1.843 3.451) 5.198 11.913 ( -0.003 3.525 -3.539) 4.995 11.964 ( 1.633 -2.331 2.978) 4.119 12.255 ( 10.192 -3.901 -3.086) 11.341 13.064 ( -1.141 8.116 4.818) 9.507 13.184 ( 3.116 9.918 -5.158) 11.605 13.503 ( -0.601 -3.677 5.456) 6.607 13.627 ( 3.184 -3.153 -6.162) 7.619 15.253 ( -5.156 -0.799 0.973) 5.307 15.360 ( -2.630 0.258 -6.614) 7.123 15.609 ( -1.892 0.256 -0.606) 2.003 15.664 ( -0.375 0.871 -0.973) 1.359 16.222 ( -3.484 0.635 -0.981) 3.675 16.284 ( -0.927 -1.190 -0.409) 1.563 16.424 ( 3.492 2.425 1.042) 4.377 16.458 ( 5.259 1.419 5.107) 7.467 16.904 ( -0.939 0.887 -0.640) 1.441 16.985 ( 2.900 -1.076 0.463) 3.128 17.281 ( -5.718 1.053 5.702) 8.144 17.421 ( 2.163 -2.738 -1.850) 3.950 17.445 ( -2.912 1.033 2.084) 3.727 17.586 ( 1.054 3.289 -6.075) 6.988 17.939 ( -0.631 -11.960 3.547) 12.491 17.958 ( -0.240 -6.374 -0.100) 6.379 18.252 ( -6.123 3.868 -3.287) 7.954 18.407 ( -5.942 -0.850 -1.544) 6.198 18.460 ( -1.155 3.223 2.500) 4.239 18.578 ( -2.745 0.164 -1.705) 3.236 18.644 ( 1.770 0.664 5.799) 6.100 18.714 ( 8.862 2.641 1.620) 9.388 18.746 ( 6.016 -0.212 2.315) 6.450 18.879 ( 9.481 -0.896 -5.737) 11.118 19.419 ( -0.579 0.503 -0.055) 0.769 19.446 ( 0.385 0.323 -0.741) 0.895 19.456 ( -0.325 -0.298 0.081) 0.448 19.486 ( 0.841 -0.587 0.120) 1.033 ======================= Grid point 76 (42/48) ======================= q-point: (-0.17 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -16.331 10.060 18.759) 26.830 1.405 ( -10.359 21.238 18.020) 29.716 1.832 ( -7.727 1.974 -4.864) 9.341 1.936 ( -4.052 2.167 12.363) 13.189 2.116 ( -5.024 -12.371 11.682) 17.742 2.132 ( -10.848 10.502 -9.370) 17.770 2.325 ( -7.351 3.060 16.566) 18.380 2.394 ( -0.379 0.305 2.052) 2.109 2.543 ( -1.896 -3.767 4.698) 6.313 2.644 ( -0.543 3.418 -0.317) 3.475 2.693 ( -2.973 -4.286 4.548) 6.920 2.766 ( -1.053 -0.275 -7.073) 7.157 2.847 ( 1.918 2.784 0.880) 3.493 2.967 ( -1.248 0.596 -1.391) 1.961 2.982 ( -7.057 2.246 4.645) 8.742 3.005 ( 0.467 -1.794 -7.242) 7.476 3.057 ( -0.715 -2.257 -6.544) 6.959 3.159 ( -0.931 -0.175 -6.443) 6.512 3.188 ( -0.942 -2.578 8.839) 9.255 3.232 ( 0.524 -3.910 -4.510) 5.992 3.337 ( 0.255 -6.579 -5.877) 8.826 3.386 ( 0.800 -0.990 5.656) 5.798 3.397 ( 10.658 2.869 -3.701) 11.641 3.440 ( 2.870 -2.377 1.234) 3.926 3.506 ( -2.723 3.247 6.361) 7.644 3.584 ( -0.420 -2.547 -2.621) 3.678 3.629 ( 1.763 4.446 -1.226) 4.937 3.642 ( -5.035 -1.782 7.011) 8.814 3.721 ( 5.159 -1.131 -2.206) 5.724 3.773 ( -0.010 2.613 -0.276) 2.628 3.799 ( 2.970 -2.801 -5.347) 6.727 3.834 ( 1.590 2.473 -0.670) 3.015 3.842 ( 0.490 -0.655 -11.592) 11.621 3.905 ( -0.898 1.808 0.664) 2.125 3.929 ( 0.040 -5.196 -0.907) 5.274 3.986 ( 2.629 2.992 -1.641) 4.308 4.082 ( 0.599 -0.869 -5.193) 5.299 4.108 ( 0.523 -2.657 -0.947) 2.869 4.165 ( -1.538 -3.492 -7.123) 8.080 4.213 ( -0.376 2.692 0.102) 2.720 4.301 ( -0.339 1.114 -1.502) 1.901 4.316 ( -2.976 2.238 0.163) 3.727 4.391 ( -1.670 2.821 0.505) 3.316 4.406 ( -0.718 -0.490 2.985) 3.109 4.461 ( 2.564 -8.926 3.762) 10.020 4.481 ( -3.275 -2.105 0.788) 3.973 4.617 ( 1.802 -3.223 -0.281) 3.704 4.628 ( 1.066 0.787 -1.681) 2.141 4.653 ( -2.834 0.742 1.047) 3.111 4.678 ( -2.811 0.132 2.297) 3.632 4.744 ( -2.213 6.260 -4.056) 7.781 4.849 ( 1.566 0.839 -1.503) 2.328 4.874 ( -3.709 -1.812 -1.401) 4.359 4.923 ( 4.586 2.129 0.892) 5.134 5.021 ( 2.551 -0.685 2.039) 3.337 5.047 ( 2.013 -2.709 3.771) 5.061 5.116 ( -1.689 -0.198 1.884) 2.538 5.143 ( 2.081 2.714 1.619) 3.784 5.196 ( -1.539 -0.705 1.789) 2.463 5.217 ( -0.321 -1.761 -1.549) 2.367 5.291 ( 3.535 3.864 -1.823) 5.546 5.352 ( 1.929 0.802 -2.115) 2.973 5.363 ( -0.943 4.469 -0.389) 4.584 5.403 ( 1.398 -0.726 -0.414) 1.629 5.442 ( 4.442 2.913 -0.833) 5.376 5.522 ( 1.012 -1.484 -3.081) 3.567 5.535 ( 3.667 -0.859 -0.440) 3.792 5.572 ( -0.197 -1.113 0.352) 1.184 5.612 ( 3.436 -3.956 -4.274) 6.762 5.621 ( 0.877 1.601 0.154) 1.832 5.674 ( 2.155 1.609 1.716) 3.190 5.724 ( 1.077 1.117 -1.583) 2.217 5.739 ( -1.213 -1.322 0.595) 1.890 5.776 ( 8.464 3.121 0.392) 9.030 5.835 ( 0.768 -0.092 3.646) 3.728 5.877 ( 4.998 2.296 -0.664) 5.540 5.937 ( 2.904 -3.892 3.407) 5.932 5.992 ( -1.854 -0.973 -0.943) 2.297 6.028 ( 0.931 -1.247 -0.556) 1.652 6.124 ( 1.147 2.741 3.994) 4.978 6.144 ( 4.722 -4.090 1.979) 6.553 6.166 ( 1.877 -0.716 -3.911) 4.397 6.240 ( 2.251 1.337 -4.532) 5.234 6.271 ( -0.084 -4.115 -2.235) 4.684 6.321 ( -0.226 0.877 -3.858) 3.962 6.365 ( 1.951 -1.226 1.370) 2.681 6.438 ( -0.670 -2.314 2.990) 3.840 6.527 ( 7.873 -0.118 1.093) 7.950 6.544 ( 4.512 0.526 0.918) 4.634 6.598 ( -5.363 -1.773 -5.103) 7.612 6.643 ( 1.318 2.544 -0.705) 2.951 6.653 ( 1.241 1.383 1.616) 2.463 6.666 ( 1.512 -2.131 1.385) 2.958 6.717 ( 0.048 -1.448 1.031) 1.778 6.772 ( -0.035 0.012 -5.332) 5.332 6.814 ( -4.147 -2.139 -0.340) 4.679 6.848 ( 0.741 0.080 -0.950) 1.208 6.905 ( 5.252 1.924 -1.781) 5.870 6.907 ( 6.358 1.318 -1.136) 6.592 7.004 ( -0.632 -2.686 0.902) 2.903 7.041 ( 0.678 -3.699 4.708) 6.025 7.076 ( 1.072 0.548 -0.424) 1.277 7.107 ( 3.671 -1.805 -3.518) 5.395 7.165 ( 0.652 -0.742 0.878) 1.321 7.235 ( 3.096 -4.535 -1.853) 5.795 7.316 ( 5.587 3.709 -2.286) 7.084 7.364 ( 2.691 4.287 0.150) 5.064 7.430 ( 2.740 -1.596 -2.512) 4.045 7.476 ( 0.975 3.726 -0.456) 3.878 7.501 ( -3.345 7.126 0.574) 7.892 7.552 ( -5.691 -2.012 1.765) 6.289 7.635 ( -3.667 3.029 0.031) 4.756 7.660 ( -9.249 4.500 0.004) 10.285 7.723 ( -1.052 1.709 1.096) 2.286 7.789 ( -0.726 -5.296 0.061) 5.346 7.795 ( 1.775 -0.663 3.511) 3.990 7.830 ( -0.441 3.400 1.035) 3.582 7.922 ( 0.737 -0.506 0.566) 1.058 8.006 ( -0.127 -0.398 -1.705) 1.755 8.079 ( 0.606 0.793 1.477) 1.783 8.090 ( 4.638 0.763 1.929) 5.081 8.120 ( 3.190 -3.402 1.415) 4.874 8.158 ( 1.036 -3.165 3.136) 4.575 8.216 ( 1.300 0.032 2.196) 2.552 8.331 ( 0.644 2.022 -0.689) 2.231 8.390 ( 0.207 3.614 1.549) 3.937 8.392 ( -4.296 -2.936 3.511) 6.277 8.429 ( -4.093 -6.019 3.804) 8.213 8.457 ( -8.361 0.083 5.086) 9.787 8.537 ( -9.589 -0.980 1.555) 9.763 8.622 ( 1.058 1.070 -1.258) 1.961 8.640 ( -5.965 0.664 0.627) 6.034 8.723 ( -2.251 -2.688 0.183) 3.511 8.792 ( -4.499 3.557 -5.266) 7.787 8.855 ( -4.356 -2.524 -2.703) 5.714 8.956 ( -3.047 0.391 -0.619) 3.134 9.008 ( -1.765 3.002 -2.856) 4.503 9.076 ( -3.459 -4.531 0.508) 5.723 9.114 ( -2.287 -2.012 -2.706) 4.074 9.187 ( 0.459 5.100 -0.494) 5.145 9.241 ( -4.055 -1.805 -3.078) 5.401 9.343 ( -4.612 0.649 -2.539) 5.304 9.451 ( 2.369 1.771 0.338) 2.977 9.491 ( 1.207 -4.079 1.026) 4.375 9.543 ( -4.586 0.252 4.021) 6.104 9.598 ( 3.011 2.743 -0.753) 4.142 9.617 ( -2.954 -0.970 -2.305) 3.870 9.771 ( 1.431 -2.439 3.804) 4.740 9.812 ( 0.063 -1.848 -1.254) 2.234 9.897 ( 2.891 -1.062 1.124) 3.279 9.918 ( -1.476 -0.308 -2.036) 2.533 10.006 ( -2.213 -1.920 -2.689) 3.976 10.045 ( 3.982 -3.096 -0.962) 5.135 10.109 ( -0.122 -1.422 -1.651) 2.182 10.172 ( 4.749 3.397 -3.813) 6.974 10.377 ( 1.278 -1.644 -10.987) 11.183 10.436 ( -3.590 1.041 6.926) 7.870 10.624 ( 2.926 -6.582 7.082) 10.102 10.849 ( -0.071 -0.644 -1.073) 1.254 10.903 ( -0.088 -2.567 1.053) 2.776 11.000 ( 6.086 2.763 3.076) 7.357 11.082 ( 0.218 4.101 5.264) 6.676 11.252 ( -4.278 -4.044 -1.946) 6.200 11.405 ( -2.657 -1.008 6.139) 6.765 11.458 ( -5.102 1.190 -1.998) 5.607 11.498 ( -0.496 -0.411 5.801) 5.836 11.574 ( -3.058 0.819 -1.967) 3.727 11.625 ( 0.144 -0.460 -2.341) 2.390 11.804 ( -0.466 3.998 2.918) 4.971 11.893 ( 0.383 9.658 -3.867) 10.411 12.072 ( 5.082 -2.145 6.395) 8.446 12.380 ( 4.848 -3.792 -5.795) 8.454 13.079 ( -0.780 8.613 5.420) 10.206 13.213 ( 3.272 11.194 -6.370) 13.288 13.528 ( -0.600 -3.484 5.503) 6.541 13.654 ( 3.218 -2.777 -6.208) 7.524 15.143 ( -4.641 1.359 -0.697) 4.886 15.239 ( -5.452 3.229 -3.064) 7.038 15.589 ( -0.188 -1.950 0.060) 1.960 15.635 ( -1.724 -0.508 -0.435) 1.849 16.189 ( -0.171 0.928 0.777) 1.222 16.266 ( -0.529 -1.082 -1.088) 1.623 16.514 ( 4.518 0.965 1.057) 4.740 16.566 ( 2.445 1.317 3.655) 4.590 16.911 ( 2.362 2.097 0.351) 3.178 17.051 ( 1.989 -0.747 3.029) 3.700 17.181 ( -6.349 2.567 3.544) 7.711 17.377 ( -3.407 -1.992 -2.573) 4.711 17.464 ( 2.324 -1.015 -0.539) 2.593 17.562 ( -0.549 2.082 -3.905) 4.460 17.929 ( -2.436 -8.535 4.127) 9.788 17.967 ( 1.024 -8.111 -0.394) 8.185 18.150 ( -2.235 2.839 -2.094) 4.177 18.266 ( -5.510 -1.242 -3.094) 6.440 18.451 ( -1.764 1.216 3.035) 3.715 18.526 ( -1.144 -0.067 -2.294) 2.564 18.723 ( 1.540 1.139 8.048) 8.273 18.852 ( 4.074 -1.944 2.698) 5.259 18.936 ( 10.054 2.863 -2.411) 10.728 18.992 ( 5.790 0.065 -7.985) 9.863 19.409 ( -0.240 0.727 -0.037) 0.766 19.441 ( -0.098 -0.034 -0.654) 0.663 19.464 ( 0.589 -0.002 0.485) 0.763 19.499 ( 0.258 -0.932 -0.008) 0.967 ======================= Grid point 77 (43/48) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 3.511 13.827 14.437) 20.296 1.721 ( 0.700 -1.532 -2.297) 2.848 1.882 ( -0.405 13.768 11.810) 18.144 1.994 ( 3.644 -3.515 5.300) 7.329 2.006 ( 4.564 4.571 11.361) 13.068 2.200 ( -2.672 13.418 -4.960) 14.553 2.296 ( -0.548 -5.848 19.423) 20.291 2.426 ( 0.224 -6.912 11.666) 13.561 2.527 ( -4.506 -1.479 -1.486) 4.970 2.580 ( 0.835 -3.244 2.088) 3.948 2.680 ( -4.639 1.243 -0.689) 4.852 2.713 ( 2.668 1.759 -4.015) 5.132 2.774 ( -6.756 -3.147 -11.009) 13.295 2.829 ( 0.542 -4.496 -12.548) 13.340 2.877 ( 4.623 -5.151 -6.181) 9.279 2.889 ( -2.005 -3.091 -2.719) 4.580 3.023 ( -1.849 4.527 3.058) 5.767 3.086 ( -2.080 -1.951 7.824) 8.328 3.181 ( -0.470 5.006 3.229) 5.975 3.224 ( -3.614 0.225 1.852) 4.067 3.297 ( 1.448 3.109 1.029) 3.581 3.380 ( 2.526 -1.963 0.399) 3.224 3.453 ( -3.936 2.642 1.573) 4.994 3.519 ( -3.312 -2.396 9.570) 10.406 3.553 ( -0.419 1.646 3.383) 3.785 3.575 ( -1.752 -1.426 7.275) 7.618 3.621 ( -3.245 -1.891 -7.429) 8.324 3.669 ( 5.950 -1.091 -5.141) 7.939 3.706 ( -3.748 2.607 -4.127) 6.154 3.729 ( 3.147 -0.705 1.637) 3.617 3.749 ( -2.318 -1.400 1.134) 2.936 3.797 ( -2.374 -6.363 0.513) 6.811 3.853 ( 2.008 0.776 -6.702) 7.040 3.896 ( 6.448 -2.615 -2.891) 7.535 3.918 ( -0.254 0.196 -9.414) 9.420 3.998 ( 0.686 -5.369 -9.559) 10.986 4.061 ( 2.864 2.555 -1.299) 4.052 4.092 ( 1.056 3.665 -2.836) 4.753 4.145 ( 0.031 2.128 1.921) 2.866 4.201 ( -0.791 -2.509 -0.691) 2.720 4.303 ( 1.845 2.288 0.519) 2.985 4.315 ( 0.321 0.753 0.343) 0.888 4.373 ( -2.620 0.438 0.107) 2.659 4.403 ( 3.073 -2.611 -1.870) 4.446 4.449 ( -5.135 1.628 4.555) 7.055 4.484 ( -7.533 -1.372 0.516) 7.675 4.527 ( 3.427 -1.211 0.657) 3.694 4.574 ( 5.010 -5.151 -1.780) 7.403 4.678 ( -1.514 5.228 1.290) 5.594 4.706 ( 3.268 5.257 -1.794) 6.444 4.772 ( -1.456 0.994 -0.476) 1.826 4.817 ( 1.779 2.678 -5.123) 6.048 4.858 ( 1.870 -5.016 1.400) 5.534 4.933 ( -0.106 -6.915 -3.967) 7.973 5.071 ( -2.768 4.975 0.125) 5.694 5.136 ( -1.329 -1.089 -2.081) 2.699 5.145 ( -2.293 2.699 2.853) 4.548 5.180 ( -2.977 0.555 2.927) 4.211 5.198 ( 5.455 4.340 5.319) 8.769 5.254 ( 2.796 -1.292 2.037) 3.693 5.342 ( 2.287 1.329 1.023) 2.835 5.374 ( 2.744 -0.417 2.737) 3.898 5.402 ( -1.643 1.893 -2.914) 3.844 5.429 ( -0.555 -0.856 0.226) 1.045 5.467 ( 0.742 -0.983 -3.376) 3.593 5.507 ( -3.192 -1.134 -1.575) 3.736 5.524 ( 1.707 -1.995 -3.947) 4.740 5.551 ( 1.453 -4.533 -0.725) 4.815 5.631 ( -2.552 3.802 0.252) 4.586 5.664 ( 2.343 1.333 2.033) 3.376 5.677 ( 0.959 2.877 -0.585) 3.088 5.735 ( -0.870 -1.005 -1.754) 2.201 5.778 ( -1.554 1.746 -0.729) 2.448 5.842 ( 2.450 1.617 0.784) 3.038 5.880 ( -1.774 -2.550 -1.645) 3.515 5.901 ( -1.686 1.618 1.943) 3.039 5.939 ( -0.368 -2.340 2.345) 3.333 5.977 ( 1.640 -4.746 1.229) 5.169 6.013 ( -1.212 -0.067 -0.033) 1.215 6.083 ( -0.338 -4.418 1.022) 4.547 6.168 ( 3.988 -1.627 0.124) 4.309 6.172 ( -1.392 -1.196 4.749) 5.091 6.209 ( -3.079 -1.483 0.847) 3.521 6.230 ( -0.520 -2.674 -2.580) 3.753 6.318 ( 4.433 3.578 3.140) 6.505 6.376 ( 2.256 0.701 -1.635) 2.873 6.449 ( -3.601 1.485 -6.367) 7.464 6.474 ( -3.205 -0.568 -5.306) 6.225 6.530 ( 0.943 0.599 0.696) 1.316 6.577 ( -2.706 -2.862 -1.083) 4.085 6.592 ( 3.819 2.136 -0.050) 4.376 6.652 ( -6.227 2.907 -4.152) 8.029 6.680 ( -3.734 -3.416 1.920) 5.413 6.738 ( -3.955 -4.425 -1.059) 6.029 6.750 ( 6.620 1.495 -2.955) 7.402 6.792 ( 3.488 -1.224 -3.996) 5.443 6.910 ( 0.207 4.881 -1.909) 5.245 6.920 ( 5.210 6.092 -0.850) 8.061 7.015 ( 1.595 -3.049 -0.618) 3.496 7.040 ( 0.805 -2.678 -2.175) 3.543 7.076 ( -0.132 0.541 4.065) 4.103 7.109 ( 1.484 -2.759 0.760) 3.223 7.140 ( 3.194 -1.048 -0.236) 3.370 7.171 ( -0.443 -3.215 -2.400) 4.037 7.280 ( 1.515 5.230 4.655) 7.163 7.342 ( -4.522 -1.571 2.933) 5.614 7.381 ( 1.311 0.479 -2.536) 2.895 7.425 ( 0.917 -3.077 -2.118) 3.847 7.500 ( -1.630 3.922 3.097) 5.257 7.530 ( -1.578 2.708 1.595) 3.516 7.575 ( 2.531 -0.885 1.947) 3.313 7.598 ( -3.693 -2.437 1.884) 4.809 7.744 ( -1.250 5.817 2.276) 6.370 7.783 ( 1.958 2.395 2.501) 3.978 7.798 ( 2.122 3.501 0.373) 4.110 7.833 ( 3.547 1.323 1.036) 3.925 7.874 ( -1.622 6.629 -3.716) 7.771 7.901 ( -1.782 -0.345 -3.199) 3.678 8.002 ( -1.310 1.984 1.973) 3.090 8.044 ( -2.656 1.290 -0.636) 3.020 8.095 ( 2.081 -6.152 1.520) 6.670 8.144 ( -3.230 -7.320 -2.664) 8.433 8.179 ( 0.655 0.479 1.941) 2.104 8.196 ( -0.362 0.514 0.605) 0.872 8.249 ( -3.514 -1.197 3.285) 4.957 8.312 ( 0.793 -1.283 0.921) 1.767 8.319 ( 0.389 -2.679 2.657) 3.793 8.355 ( 1.306 -1.192 1.567) 2.363 8.443 ( 1.737 1.492 2.612) 3.474 8.473 ( 2.706 -1.599 -0.181) 3.148 8.581 ( -4.710 6.037 6.899) 10.306 8.638 ( -0.005 1.774 2.959) 3.450 8.673 ( -2.628 -3.761 -1.034) 4.703 8.750 ( 0.362 1.020 -2.863) 3.060 8.761 ( 1.847 -2.641 -2.222) 3.915 8.854 ( -1.733 -4.399 -5.180) 7.013 8.955 ( -2.022 2.147 6.589) 7.219 9.022 ( 0.662 -3.934 3.420) 5.255 9.089 ( 2.239 2.682 -3.911) 5.244 9.133 ( -1.378 -1.479 -4.624) 5.047 9.329 ( -1.430 6.274 0.962) 6.507 9.359 ( 0.443 4.926 -1.087) 5.064 9.432 ( -2.067 -1.713 0.916) 2.837 9.466 ( 1.118 -3.447 -1.076) 3.780 9.579 ( 1.376 3.366 1.558) 3.956 9.611 ( 1.565 0.393 0.973) 1.884 9.645 ( 0.327 0.247 -1.499) 1.554 9.689 ( -4.521 -3.106 -3.373) 6.439 9.829 ( 1.750 1.194 4.780) 5.228 9.874 ( 1.889 -3.046 4.078) 5.429 9.910 ( -1.648 -0.103 -1.365) 2.142 9.933 ( -1.759 -2.250 -0.075) 2.857 10.077 ( -0.333 0.998 0.035) 1.053 10.089 ( -1.339 0.027 -0.295) 1.371 10.261 ( 2.304 1.063 -5.946) 6.465 10.292 ( 0.177 -2.151 -8.013) 8.298 10.538 ( 3.543 3.239 8.031) 9.356 10.613 ( 2.648 -3.913 4.060) 6.230 10.745 ( -1.918 -1.516 -0.454) 2.487 10.785 ( -2.372 -4.896 -1.258) 5.584 11.089 ( 0.601 0.732 -0.493) 1.068 11.127 ( 0.964 -3.194 -4.047) 5.245 11.271 ( 3.932 3.590 4.053) 6.691 11.317 ( -2.402 -0.636 0.073) 2.486 11.429 ( -0.806 2.034 5.223) 5.663 11.480 ( -1.884 -2.840 4.407) 5.571 11.536 ( -0.138 1.219 -2.482) 2.769 11.578 ( 1.342 -3.341 -3.142) 4.778 11.958 ( -0.195 8.373 5.541) 10.042 12.064 ( 0.813 0.814 0.199) 1.167 12.155 ( 0.947 3.253 -0.687) 3.457 12.277 ( -1.362 -6.268 -7.446) 9.828 13.273 ( -2.080 9.965 6.647) 12.158 13.407 ( 0.519 0.841 -0.526) 1.120 13.473 ( 0.344 2.238 -2.028) 3.040 13.593 ( 2.672 -5.806 -7.629) 9.952 15.177 ( -0.137 3.115 0.177) 3.123 15.200 ( -0.204 1.044 -2.240) 2.480 15.567 ( 0.671 -0.706 -0.511) 1.100 15.580 ( 1.559 -1.821 -1.817) 3.008 16.226 ( 0.656 1.038 0.647) 1.388 16.240 ( -0.140 -0.457 -0.717) 0.862 16.560 ( -1.762 1.112 2.733) 3.437 16.590 ( 0.956 -2.013 0.098) 2.230 17.073 ( 1.517 4.093 1.948) 4.780 17.101 ( 2.357 2.754 -0.410) 3.648 17.170 ( 0.764 -0.414 2.743) 2.878 17.220 ( -5.912 -3.801 -2.085) 7.331 17.499 ( 0.692 0.367 2.522) 2.641 17.510 ( -1.852 -0.507 2.472) 3.130 17.817 ( 0.129 -1.904 1.292) 2.305 17.859 ( 1.108 -5.736 -1.897) 6.142 18.156 ( -0.080 0.970 -0.578) 1.132 18.169 ( -0.845 -0.402 -1.756) 1.990 18.467 ( -0.706 1.603 1.992) 2.653 18.493 ( -0.130 -1.157 -0.295) 1.202 18.817 ( -0.142 2.262 6.899) 7.262 18.867 ( 0.094 -2.998 4.711) 5.585 19.000 ( -0.264 1.287 -8.142) 8.248 19.021 ( 0.308 -0.789 -7.722) 7.769 19.431 ( 0.131 1.005 0.565) 1.161 19.442 ( 0.020 0.166 -0.226) 0.281 19.472 ( 0.110 0.153 0.367) 0.412 19.485 ( 0.636 -0.888 -0.650) 1.271 ======================= Grid point 78 (44/48) ======================= q-point: ( 0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( 9.415 9.436 5.239) 14.323 1.796 ( 10.522 5.701 -6.616) 13.674 1.979 ( 3.408 3.162 6.325) 7.850 2.085 ( 6.136 -7.271 -2.857) 9.934 2.141 ( 2.347 18.555 -5.138) 19.396 2.184 ( 6.449 11.608 3.971) 13.860 2.411 ( -2.058 -3.971 2.345) 5.050 2.436 ( -4.442 -3.040 4.708) 7.151 2.501 ( 1.195 -5.545 7.491) 9.396 2.583 ( -1.929 -9.542 3.542) 10.360 2.596 ( -1.580 -0.719 -0.939) 1.974 2.638 ( -0.863 -6.826 1.347) 7.011 2.753 ( 4.571 -0.165 -5.321) 7.017 2.822 ( 2.701 -4.110 -3.288) 5.916 2.960 ( 6.203 1.575 -2.635) 6.921 2.974 ( 9.906 0.295 1.754) 10.065 3.085 ( -0.490 0.318 4.883) 4.918 3.092 ( -2.524 0.182 9.697) 10.022 3.165 ( -3.185 2.619 -0.130) 4.126 3.193 ( -2.621 0.604 6.006) 6.581 3.313 ( 1.610 5.431 1.552) 5.873 3.379 ( -3.595 -2.976 -1.392) 4.870 3.434 ( -2.415 -0.560 4.250) 4.920 3.453 ( -3.384 -1.739 2.692) 4.660 3.524 ( 0.271 3.814 0.155) 3.827 3.574 ( -1.358 3.552 5.394) 6.600 3.598 ( 0.332 -2.262 -4.222) 4.802 3.669 ( -0.367 -2.783 5.235) 5.940 3.701 ( -1.704 -5.552 -1.110) 5.912 3.710 ( 2.742 -4.919 4.337) 7.108 3.781 ( 1.288 7.884 -6.963) 10.597 3.786 ( -0.341 2.657 -3.120) 4.112 3.864 ( 4.291 -2.710 -2.030) 5.466 3.882 ( 3.854 1.185 -3.129) 5.104 3.944 ( -2.685 -1.833 -5.790) 6.641 4.005 ( 3.573 -0.313 -1.860) 4.040 4.033 ( 1.560 0.502 0.590) 1.741 4.101 ( -6.510 -1.465 0.985) 6.745 4.157 ( 4.936 2.613 -5.729) 8.000 4.177 ( 1.581 -0.791 -0.159) 1.775 4.252 ( -2.520 -1.069 0.451) 2.774 4.313 ( 0.040 -2.982 -2.474) 3.875 4.343 ( -0.698 -1.006 0.300) 1.261 4.410 ( 0.418 -2.755 0.423) 2.818 4.450 ( 0.223 0.600 0.340) 0.724 4.492 ( 3.609 -2.666 -1.515) 4.736 4.576 ( -1.425 1.767 4.121) 4.705 4.624 ( -1.846 1.415 -1.237) 2.634 4.656 ( 1.039 1.951 2.821) 3.584 4.747 ( 2.739 -1.216 -1.092) 3.189 4.799 ( 5.078 4.635 -3.046) 7.520 4.830 ( 0.248 2.067 -3.104) 3.738 4.883 ( -1.540 -0.382 -1.945) 2.510 4.891 ( -0.512 -5.248 0.405) 5.288 5.015 ( -5.952 2.506 4.773) 8.030 5.058 ( -4.829 2.960 0.758) 5.715 5.071 ( -7.505 -2.319 2.045) 8.117 5.112 ( -4.023 -1.836 2.164) 4.923 5.242 ( -3.128 1.985 -1.594) 4.033 5.278 ( -1.710 -1.951 -1.068) 2.805 5.335 ( -1.223 2.932 -1.430) 3.484 5.380 ( 1.301 2.819 -1.121) 3.301 5.393 ( -1.974 -1.203 -1.764) 2.908 5.410 ( -0.870 2.085 -3.568) 4.223 5.451 ( 0.097 -0.910 -0.985) 1.345 5.480 ( -0.227 -4.332 -0.934) 4.437 5.551 ( 2.151 -0.348 -1.527) 2.661 5.580 ( -0.633 3.107 -1.218) 3.396 5.596 ( 0.852 2.150 4.220) 4.812 5.644 ( -3.117 2.860 0.912) 4.327 5.702 ( 0.368 0.433 1.597) 1.695 5.725 ( 2.653 -3.931 -1.032) 4.853 5.774 ( -1.432 2.074 1.273) 2.823 5.810 ( -3.051 0.285 -1.530) 3.425 5.833 ( -2.954 0.087 -1.544) 3.334 5.856 ( -4.113 -0.882 1.912) 4.621 5.891 ( -1.087 -0.151 0.221) 1.119 5.950 ( -2.225 -5.206 0.704) 5.705 6.039 ( -0.671 2.119 4.369) 4.902 6.079 ( -2.035 1.852 -1.803) 3.289 6.121 ( -3.697 -2.740 -5.739) 7.356 6.142 ( 2.719 -5.629 4.511) 7.709 6.260 ( 1.937 0.550 -3.525) 4.060 6.288 ( -2.113 -2.525 -0.802) 3.389 6.330 ( -1.426 2.251 -1.789) 3.210 6.358 ( -4.066 1.189 -2.617) 4.979 6.436 ( -1.894 1.096 4.118) 4.664 6.465 ( 2.816 -0.857 -2.107) 3.620 6.513 ( -2.005 2.832 1.858) 3.937 6.524 ( 4.098 0.792 -3.436) 5.406 6.573 ( 0.448 -5.065 -4.687) 6.916 6.591 ( -3.565 -5.200 5.059) 8.083 6.663 ( 3.819 1.795 2.029) 4.682 6.713 ( 1.652 -1.722 -2.336) 3.339 6.784 ( -4.626 1.995 -1.588) 5.282 6.846 ( -0.516 -2.201 -0.221) 2.271 6.876 ( 2.988 -0.441 0.797) 3.124 6.939 ( -0.343 -1.741 -1.475) 2.307 6.956 ( -1.816 4.040 -2.661) 5.167 7.025 ( -4.677 1.882 -1.378) 5.226 7.043 ( 0.310 1.022 -3.919) 4.062 7.070 ( -2.391 -0.520 -6.123) 6.594 7.090 ( -3.207 -1.965 -1.750) 4.149 7.140 ( -3.067 -4.804 -2.173) 6.100 7.290 ( 0.399 4.796 1.770) 5.128 7.335 ( -0.282 1.219 2.913) 3.170 7.350 ( -5.606 1.761 -0.801) 5.930 7.423 ( -0.883 -5.685 -0.086) 5.754 7.492 ( -1.205 6.107 -0.939) 6.296 7.563 ( 2.215 -1.747 1.050) 3.010 7.585 ( 3.743 3.163 6.423) 8.079 7.637 ( 0.147 2.968 5.372) 6.139 7.753 ( -0.931 1.118 -0.330) 1.492 7.759 ( -2.621 2.607 -4.322) 5.687 7.796 ( 0.081 0.964 0.414) 1.052 7.829 ( -1.526 -2.509 -2.297) 3.728 7.884 ( 1.672 3.190 -0.106) 3.603 7.946 ( 1.795 0.249 2.749) 3.293 7.974 ( -2.512 1.591 1.500) 3.330 8.027 ( -0.011 -2.852 1.022) 3.030 8.052 ( -0.672 -0.031 -0.595) 0.898 8.152 ( -0.237 2.179 0.964) 2.395 8.177 ( -0.894 -2.963 -1.162) 3.306 8.191 ( 1.130 -1.289 0.612) 1.820 8.272 ( 1.834 1.123 6.099) 6.468 8.365 ( 3.380 3.284 0.706) 4.765 8.386 ( 3.247 -7.897 3.118) 9.090 8.426 ( 4.417 -2.237 -1.792) 5.265 8.506 ( 1.387 4.082 2.464) 4.966 8.572 ( 5.818 -2.538 -0.138) 6.349 8.607 ( 2.471 2.612 3.775) 5.213 8.654 ( -1.650 -2.334 4.558) 5.380 8.697 ( 4.937 2.858 -1.730) 5.961 8.770 ( 6.179 0.574 -0.125) 6.206 8.786 ( 1.983 0.179 -1.803) 2.686 8.832 ( 1.913 -8.334 -0.055) 8.551 9.013 ( 3.288 4.681 5.380) 7.853 9.063 ( 2.191 -0.407 2.281) 3.189 9.116 ( 3.089 -0.426 -3.688) 4.830 9.139 ( 3.872 -2.809 -2.647) 5.467 9.315 ( -0.763 5.023 1.370) 5.262 9.346 ( -1.256 3.325 -1.411) 3.824 9.405 ( -1.069 -1.527 1.591) 2.450 9.480 ( 0.253 -3.547 -0.271) 3.566 9.541 ( -3.712 4.726 -0.291) 6.016 9.613 ( 0.329 -0.361 1.452) 1.532 9.658 ( 2.445 0.824 -0.234) 2.591 9.712 ( 2.039 -2.129 2.411) 3.808 9.833 ( -5.287 -0.108 0.678) 5.332 9.865 ( -3.088 -2.061 1.515) 4.010 9.896 ( 0.998 -0.007 1.924) 2.168 9.938 ( 0.847 -3.253 1.010) 3.510 10.005 ( -2.947 1.337 -2.950) 4.379 10.039 ( -2.930 -2.096 -1.466) 3.890 10.224 ( -2.302 0.199 -3.900) 4.533 10.232 ( -1.742 -0.391 -1.992) 2.675 10.621 ( 0.642 1.797 -4.861) 5.222 10.637 ( 1.739 0.066 0.486) 1.807 10.756 ( 1.411 0.280 3.382) 3.675 10.821 ( 1.775 -6.067 2.486) 6.793 11.086 ( 1.029 2.718 -2.274) 3.691 11.161 ( 4.099 -5.261 -2.970) 7.301 11.282 ( 0.723 6.586 -1.017) 6.703 11.392 ( 5.465 -4.337 1.548) 7.147 11.467 ( 0.631 0.714 2.701) 2.864 11.496 ( 1.405 -1.600 3.673) 4.246 11.540 ( 2.144 3.054 -0.589) 3.778 11.603 ( 2.900 -3.628 -2.746) 5.396 11.950 ( -3.714 9.739 4.132) 11.212 12.030 ( -1.944 4.084 -4.321) 6.255 12.138 ( -4.939 -5.793 3.515) 8.385 12.152 ( -5.731 -4.370 -4.655) 8.579 13.262 ( -2.766 9.969 5.809) 11.865 13.408 ( -0.131 0.721 -0.735) 1.037 13.445 ( -1.818 2.607 -1.333) 3.446 13.584 ( 1.094 -6.164 -7.321) 9.633 15.179 ( 1.433 3.191 0.346) 3.515 15.229 ( 2.818 -1.554 -0.445) 3.249 15.600 ( 3.684 1.210 -2.292) 4.504 15.634 ( 4.326 -1.942 -2.655) 5.434 16.225 ( -0.621 0.668 -0.836) 1.237 16.234 ( 0.005 -0.355 0.234) 0.425 16.534 ( -2.307 3.808 2.422) 5.068 16.607 ( -0.079 -3.763 -0.400) 3.785 16.976 ( -4.997 4.532 -0.609) 6.773 17.063 ( -6.141 -4.494 -2.307) 7.952 17.237 ( 4.954 0.828 2.504) 5.612 17.258 ( 3.597 -1.543 2.621) 4.711 17.499 ( -0.317 3.569 2.449) 4.340 17.540 ( 1.208 0.050 2.767) 3.020 17.817 ( -0.552 -1.892 0.163) 1.978 17.867 ( 0.929 -6.440 -2.665) 7.031 18.176 ( 2.815 1.467 -0.052) 3.175 18.197 ( 3.885 -0.987 0.744) 4.077 18.478 ( 0.471 1.623 2.318) 2.869 18.505 ( 1.296 -1.185 0.151) 1.763 18.822 ( -3.481 1.435 5.177) 6.401 18.854 ( -3.988 -1.945 2.407) 5.048 18.905 ( -4.653 1.774 -5.077) 7.111 18.933 ( -4.369 -1.212 -4.868) 6.652 19.430 ( -0.334 0.761 0.097) 0.837 19.439 ( -0.247 -0.127 0.040) 0.280 19.472 ( 0.045 0.879 -0.605) 1.068 19.493 ( 0.490 -0.981 -0.948) 1.449 ======================= Grid point 79 (45/48) ======================= q-point: ( 0.33 0.40 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.910 ( 3.666 9.377 3.226) 10.572 2.005 ( 13.433 3.998 -6.082) 15.278 2.065 ( 2.260 -0.009 1.092) 2.511 2.202 ( 9.402 -5.556 -9.121) 14.228 2.223 ( 10.662 10.014 -4.921) 15.433 2.302 ( -2.513 7.613 0.081) 8.017 2.330 ( 0.596 7.428 4.129) 8.520 2.463 ( 3.711 -8.785 0.300) 9.541 2.529 ( 0.633 -1.592 3.072) 3.518 2.602 ( 2.215 2.189 7.598) 8.211 2.653 ( 2.504 -5.679 1.625) 6.415 2.666 ( 2.674 -2.134 7.088) 7.870 2.812 ( -1.797 -5.125 3.628) 6.531 2.851 ( -0.966 -4.494 -1.584) 4.861 2.936 ( -6.671 4.549 5.321) 9.670 3.003 ( -4.811 -3.365 5.324) 7.926 3.088 ( 1.678 0.871 -3.493) 3.971 3.133 ( 0.170 -2.434 2.866) 3.764 3.167 ( 1.862 -1.272 -0.851) 2.411 3.204 ( 2.100 0.508 5.949) 6.329 3.264 ( -4.583 -0.854 -5.784) 7.429 3.329 ( 1.090 -3.904 -2.639) 4.837 3.383 ( -3.203 2.124 1.105) 3.999 3.452 ( -3.936 -3.832 4.474) 7.085 3.500 ( 0.581 4.150 -7.328) 8.442 3.570 ( -3.514 -3.785 -3.994) 6.529 3.611 ( -3.925 3.710 -1.532) 5.614 3.626 ( 0.247 0.833 -0.559) 1.033 3.714 ( 2.584 2.839 4.300) 5.764 3.775 ( 1.626 0.110 2.706) 3.159 3.820 ( 2.794 2.749 1.527) 4.207 3.828 ( 0.052 2.546 -0.386) 2.575 3.848 ( 0.448 -3.198 -1.640) 3.622 3.901 ( 3.111 -3.130 2.784) 5.218 4.015 ( 4.536 7.499 -4.657) 9.925 4.030 ( 5.432 4.361 -2.268) 7.326 4.095 ( 3.807 5.152 3.403) 7.254 4.153 ( 3.751 -1.060 -4.545) 5.988 4.183 ( 2.776 -1.087 3.165) 4.348 4.219 ( 0.947 -4.792 -3.235) 5.859 4.234 ( 2.838 -3.260 4.777) 6.442 4.300 ( 0.107 -10.967 -4.514) 11.860 4.362 ( -0.211 2.090 -0.415) 2.142 4.409 ( 4.068 -0.651 -3.077) 5.142 4.442 ( -0.330 0.600 1.408) 1.566 4.518 ( -1.515 -2.538 -0.226) 2.965 4.529 ( -2.552 1.146 2.368) 3.666 4.589 ( -3.302 -4.153 0.777) 5.363 4.690 ( -0.313 4.080 4.386) 5.998 4.748 ( -5.785 -1.209 4.237) 7.272 4.807 ( -5.717 1.594 5.161) 7.866 4.813 ( -6.057 0.064 1.286) 6.192 4.835 ( -0.467 4.684 -4.024) 6.192 4.894 ( 4.725 -0.196 0.152) 4.732 4.904 ( -4.225 1.352 -1.426) 4.660 4.963 ( -4.814 0.217 5.296) 7.161 4.999 ( -1.201 -0.446 7.492) 7.601 5.069 ( 0.237 -2.411 2.994) 3.851 5.144 ( -2.625 0.362 -1.536) 3.062 5.201 ( -4.780 -5.630 -1.155) 7.476 5.298 ( -5.156 2.622 -1.138) 5.895 5.314 ( -1.559 3.097 -0.203) 3.473 5.339 ( -3.198 -0.564 -3.525) 4.792 5.394 ( 0.534 -3.600 -0.946) 3.760 5.475 ( 1.342 1.492 -2.255) 3.019 5.496 ( 0.015 -0.528 -3.727) 3.765 5.536 ( -2.003 2.455 -1.450) 3.484 5.546 ( 1.404 2.518 -2.157) 3.601 5.577 ( -2.079 0.959 -1.808) 2.917 5.608 ( -8.535 -0.485 1.354) 8.655 5.645 ( 1.410 5.147 1.573) 5.563 5.728 ( 0.759 -0.020 -1.845) 1.996 5.783 ( 0.972 1.729 -4.906) 5.292 5.813 ( 0.977 1.243 -2.528) 2.981 5.825 ( 2.055 -1.924 0.044) 2.815 5.854 ( 3.819 -0.787 1.218) 4.085 5.908 ( 2.165 -0.210 0.396) 2.211 5.970 ( 2.302 -2.391 -0.131) 3.322 5.983 ( -3.720 0.821 1.952) 4.280 6.028 ( -3.020 -3.505 0.770) 4.690 6.105 ( -0.874 2.747 0.182) 2.889 6.138 ( -4.855 -0.820 -0.833) 4.993 6.173 ( -3.409 2.561 0.566) 4.301 6.217 ( -5.451 -0.548 0.133) 5.480 6.250 ( -0.265 -0.914 -4.661) 4.757 6.305 ( 2.151 -6.290 0.589) 6.674 6.396 ( 1.073 2.834 -4.033) 5.045 6.459 ( -0.443 -3.395 -3.366) 4.801 6.546 ( 2.735 1.916 -1.689) 3.742 6.560 ( 0.973 -0.837 1.825) 2.231 6.589 ( 0.621 1.501 0.779) 1.801 6.661 ( 2.885 -4.680 0.882) 5.568 6.700 ( -3.073 3.760 0.396) 4.872 6.712 ( -1.972 0.012 -0.990) 2.207 6.760 ( 3.251 -1.333 -1.893) 3.991 6.782 ( -1.937 -0.549 -0.258) 2.030 6.828 ( -6.625 4.742 -3.698) 8.947 6.880 ( -5.060 -0.378 -2.451) 5.635 6.923 ( -3.758 -2.897 -2.003) 5.150 6.941 ( -2.503 -4.914 -3.618) 6.596 7.013 ( 0.918 2.443 -4.580) 5.272 7.051 ( 4.003 -2.182 -4.920) 6.708 7.083 ( 3.888 0.071 1.835) 4.300 7.128 ( 1.330 -3.057 -0.945) 3.465 7.265 ( -1.517 2.402 -0.949) 2.995 7.297 ( -1.558 -0.984 -0.635) 1.949 7.355 ( 4.670 6.708 2.283) 8.487 7.452 ( 1.174 1.735 0.617) 2.184 7.493 ( 1.443 1.353 -2.322) 3.050 7.556 ( -5.846 3.637 -1.482) 7.042 7.596 ( -2.919 -2.497 1.393) 4.086 7.627 ( -6.442 -2.798 -3.324) 7.770 7.674 ( 1.210 2.516 5.582) 6.241 7.732 ( -2.018 -4.524 4.315) 6.569 7.789 ( -0.028 2.481 0.959) 2.660 7.867 ( -3.635 -4.641 2.094) 6.256 7.892 ( 3.402 1.983 3.442) 5.230 7.916 ( 3.225 3.069 -0.061) 4.452 7.997 ( 0.429 -1.503 2.762) 3.173 8.032 ( -0.283 -2.501 0.206) 2.525 8.056 ( 0.530 2.054 -0.753) 2.251 8.108 ( -1.381 0.841 -2.144) 2.686 8.201 ( 1.238 3.467 0.504) 3.716 8.239 ( 2.197 -0.301 1.046) 2.452 8.322 ( 0.272 -0.025 0.509) 0.578 8.375 ( -2.081 -0.987 -2.350) 3.291 8.463 ( 1.902 -2.353 1.489) 3.372 8.481 ( 1.690 -1.955 2.823) 3.827 8.556 ( -3.389 4.523 7.556) 9.435 8.597 ( -1.574 -0.458 4.547) 4.834 8.646 ( 1.897 1.543 0.748) 2.558 8.671 ( 5.044 -1.095 -1.025) 5.262 8.823 ( 6.560 0.797 -3.966) 7.707 8.863 ( 1.284 -0.727 3.694) 3.978 8.912 ( 8.122 -0.496 2.289) 8.453 8.935 ( 5.990 -0.784 2.978) 6.735 9.103 ( 2.448 2.029 2.094) 3.807 9.125 ( -0.546 -0.442 -0.114) 0.711 9.160 ( 4.875 1.996 -1.138) 5.390 9.214 ( 5.708 -3.775 0.314) 6.850 9.291 ( -1.643 3.804 -0.521) 4.176 9.334 ( 0.944 -1.963 -0.280) 2.196 9.414 ( 1.590 0.165 0.995) 1.883 9.455 ( -0.895 -1.545 0.448) 1.841 9.530 ( -1.419 1.205 1.402) 2.331 9.593 ( -4.372 -3.089 1.196) 5.486 9.672 ( -4.820 0.895 0.978) 4.999 9.706 ( 1.277 -2.444 0.210) 2.765 9.760 ( -2.454 1.735 -2.387) 3.838 9.817 ( -4.472 -3.169 -4.451) 7.061 9.903 ( 2.083 0.754 3.289) 3.965 9.941 ( 2.328 -3.406 2.089) 4.624 9.970 ( 1.124 2.520 -2.208) 3.534 10.038 ( 2.467 -4.152 -0.268) 4.837 10.217 ( 3.118 2.366 2.097) 4.441 10.251 ( 2.552 -1.252 3.508) 4.515 10.592 ( -0.240 1.353 -4.613) 4.813 10.620 ( -1.485 -1.801 -4.802) 5.340 10.773 ( -3.332 0.650 3.827) 5.115 10.788 ( -5.375 -0.874 0.551) 5.473 11.120 ( 3.696 5.559 -2.069) 6.989 11.227 ( 3.523 -4.596 -2.968) 6.507 11.306 ( 1.535 6.176 -2.320) 6.774 11.436 ( 0.779 -6.356 -4.527) 7.842 11.525 ( 1.568 3.691 3.625) 5.406 11.557 ( 4.000 0.730 3.378) 5.286 11.626 ( 4.097 -0.877 0.956) 4.298 11.640 ( 2.393 -1.379 -0.288) 2.777 11.886 ( -3.566 6.845 0.657) 7.746 11.967 ( -2.146 2.356 -2.024) 3.775 11.988 ( -4.907 -3.884 -4.461) 7.686 12.063 ( -6.716 -6.499 4.347) 10.307 13.244 ( -2.505 9.753 5.132) 11.302 13.386 ( -0.028 9.505 -6.234) 11.367 13.405 ( -2.770 -6.069 4.553) 8.077 13.549 ( 0.267 -6.824 -7.119) 9.865 15.239 ( 3.409 2.200 1.853) 4.461 15.289 ( 3.096 -3.015 0.421) 4.342 15.659 ( 3.567 1.937 -3.226) 5.185 15.688 ( 2.673 -0.873 -3.311) 4.344 16.225 ( 1.250 1.023 0.431) 1.672 16.244 ( 1.097 -1.105 0.851) 1.775 16.486 ( -4.054 4.156 0.645) 5.842 16.548 ( -5.208 -2.286 -2.249) 6.116 16.922 ( -0.394 1.863 -0.363) 1.938 16.966 ( -2.460 -2.718 -1.081) 3.821 17.307 ( 0.806 -0.149 3.005) 3.115 17.325 ( 2.290 -1.942 -0.106) 3.004 17.518 ( -0.260 4.883 4.891) 6.916 17.585 ( 1.713 -0.488 2.347) 2.947 17.801 ( -0.944 -1.642 -0.523) 1.965 17.859 ( 0.294 -6.183 -3.334) 7.030 18.272 ( 6.290 3.071 1.878) 7.247 18.319 ( 7.310 -2.402 2.536) 8.102 18.514 ( 1.573 1.783 2.786) 3.663 18.541 ( 1.772 -0.934 1.314) 2.396 18.742 ( -6.054 0.194 -0.253) 6.063 18.751 ( -6.168 -0.669 -2.076) 6.542 18.783 ( -5.274 1.848 -1.321) 5.742 18.811 ( -5.685 -1.216 -2.911) 6.502 19.427 ( -0.067 0.459 0.382) 0.601 19.437 ( -0.101 -0.655 0.604) 0.897 19.467 ( 0.060 1.349 -1.234) 1.829 19.489 ( -0.113 -0.863 -1.301) 1.566 ======================= Grid point 80 (46/48) ======================= q-point: (-0.50 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.896 ( -8.441 8.019 10.105) 15.416 2.029 ( -9.248 -5.887 11.554) 15.928 2.101 ( -2.863 10.995 -6.373) 13.027 2.256 ( -0.996 -1.643 -5.912) 6.216 2.297 ( 4.122 3.193 -4.008) 6.576 2.329 ( 5.050 4.993 -8.683) 11.217 2.396 ( -4.822 2.227 6.442) 8.349 2.520 ( -1.394 -5.954 -0.325) 6.123 2.632 ( 3.359 6.611 6.770) 10.041 2.655 ( 0.200 -0.058 -0.280) 0.349 2.692 ( 2.785 0.437 1.929) 3.415 2.722 ( 4.572 0.074 -0.919) 4.665 2.797 ( 0.992 -4.809 7.659) 9.097 2.853 ( 7.102 -5.368 3.809) 9.683 2.965 ( -1.650 1.129 -1.080) 2.273 3.012 ( 2.742 -2.359 6.309) 7.273 3.075 ( -1.691 2.261 -5.152) 5.875 3.121 ( 0.691 -2.061 -1.765) 2.800 3.136 ( 0.442 -5.595 -0.019) 5.613 3.177 ( 1.171 -4.443 -5.167) 6.914 3.279 ( -4.578 1.992 -0.393) 5.008 3.307 ( -0.448 2.287 -1.199) 2.622 3.342 ( -2.643 -0.562 3.509) 4.428 3.418 ( 2.207 -3.446 1.121) 4.243 3.450 ( -0.251 0.361 -5.733) 5.749 3.502 ( -0.936 -3.434 -1.230) 3.766 3.552 ( 1.281 1.477 -4.185) 4.619 3.604 ( -0.571 -2.812 -3.749) 4.721 3.733 ( -3.792 4.925 2.556) 6.720 3.760 ( -3.444 3.883 -0.192) 5.194 3.817 ( -0.444 4.854 5.725) 7.519 3.855 ( -3.882 -1.493 2.587) 4.898 3.882 ( 1.899 -1.075 -0.243) 2.196 3.927 ( 0.734 -2.658 2.232) 3.547 4.036 ( -4.645 1.640 3.629) 6.119 4.071 ( -4.304 -0.421 3.396) 5.499 4.098 ( -1.954 3.605 -0.638) 4.150 4.146 ( -2.803 -1.621 0.224) 3.246 4.185 ( -4.509 3.461 -0.055) 5.685 4.232 ( 4.738 0.564 -2.245) 5.274 4.327 ( -1.669 -2.323 2.707) 3.938 4.352 ( 4.401 -3.722 2.800) 6.408 4.383 ( 3.469 -3.983 0.071) 5.283 4.396 ( -2.853 -3.346 0.397) 4.415 4.454 ( -0.616 2.280 0.501) 2.414 4.485 ( 0.985 -0.711 -2.225) 2.535 4.559 ( -4.335 0.371 -0.357) 4.366 4.588 ( 8.044 -1.838 -2.088) 8.511 4.651 ( -0.062 -0.536 0.838) 0.996 4.673 ( 6.199 -2.358 -0.484) 6.650 4.701 ( -2.432 5.612 5.531) 8.247 4.807 ( -0.300 -2.616 -0.606) 2.702 4.838 ( -2.101 5.194 6.273) 8.411 4.931 ( 1.545 -1.538 0.594) 2.259 4.944 ( 7.990 3.542 -4.894) 10.018 4.976 ( 1.787 -1.968 -2.672) 3.769 5.079 ( 0.027 2.284 3.065) 3.822 5.084 ( -3.046 0.854 2.920) 4.305 5.145 ( 4.108 -1.439 -0.102) 4.354 5.156 ( 3.496 -3.470 0.063) 4.927 5.240 ( -1.658 1.044 -0.145) 1.964 5.259 ( 0.328 -0.966 -0.940) 1.388 5.331 ( 2.125 0.971 0.949) 2.522 5.362 ( -1.741 -2.184 -1.470) 3.156 5.429 ( -3.520 1.468 0.985) 3.939 5.457 ( -2.511 -0.196 -0.221) 2.528 5.491 ( 2.038 1.615 -3.488) 4.351 5.523 ( -0.429 -2.246 -3.470) 4.156 5.563 ( 0.927 4.659 2.382) 5.314 5.622 ( 3.421 -0.581 0.235) 3.478 5.679 ( 1.339 4.893 0.045) 5.073 5.716 ( -0.676 1.094 -3.448) 3.680 5.753 ( -2.653 1.866 -1.057) 3.412 5.814 ( -0.664 0.480 -4.024) 4.107 5.838 ( -2.212 -1.608 -5.154) 5.835 5.865 ( 0.322 -4.563 -3.659) 5.858 5.909 ( 1.665 1.659 3.607) 4.305 5.943 ( 1.718 -1.772 0.204) 2.476 5.984 ( -1.709 0.511 0.515) 1.857 6.024 ( -0.256 -2.050 -2.372) 3.145 6.076 ( -1.482 -0.062 2.526) 2.929 6.083 ( 0.273 -0.537 0.410) 0.729 6.183 ( 3.294 1.972 -1.368) 4.075 6.204 ( 3.567 1.167 -1.343) 3.986 6.271 ( 2.489 4.164 0.558) 4.883 6.340 ( -0.409 0.968 -6.551) 6.635 6.418 ( 4.565 -2.762 -0.234) 5.341 6.471 ( -1.540 -3.889 -4.345) 6.031 6.541 ( -3.075 0.897 0.228) 3.212 6.552 ( -0.791 0.384 2.647) 2.789 6.594 ( 2.281 1.280 -2.401) 3.551 6.618 ( -1.188 -0.423 -1.243) 1.771 6.644 ( -1.948 1.634 1.444) 2.924 6.679 ( -1.109 0.832 -0.981) 1.699 6.746 ( -0.273 -1.690 -0.762) 1.874 6.756 ( -4.379 0.401 2.015) 4.837 6.781 ( 0.314 -0.619 -0.732) 1.008 6.804 ( 1.298 -0.308 -2.004) 2.408 6.863 ( -2.655 -3.206 -0.951) 4.270 6.902 ( 2.014 -4.266 -2.993) 5.587 6.999 ( -0.304 4.714 -1.638) 5.000 7.064 ( 1.012 -1.224 -7.106) 7.281 7.139 ( -0.422 -0.145 -1.468) 1.534 7.157 ( 1.764 -2.451 -1.927) 3.582 7.250 ( -0.279 2.022 1.563) 2.571 7.286 ( 2.365 -1.148 -1.347) 2.953 7.410 ( -3.096 3.410 1.487) 4.840 7.438 ( 0.020 4.928 -0.894) 5.009 7.480 ( -0.379 0.590 -1.148) 1.346 7.485 ( 0.786 -0.386 -2.964) 3.091 7.532 ( -1.050 -5.976 1.036) 6.155 7.567 ( 0.913 -5.070 -1.202) 5.290 7.702 ( -3.629 1.369 5.901) 7.062 7.749 ( 1.851 -2.659 2.481) 4.081 7.824 ( -0.356 1.397 3.566) 3.846 7.865 ( 4.651 -2.819 1.174) 5.564 7.969 ( 0.579 4.037 4.621) 6.164 7.989 ( 0.844 3.708 2.082) 4.336 8.011 ( -2.000 1.030 2.700) 3.514 8.048 ( 1.163 0.603 0.599) 1.441 8.057 ( -0.158 -2.096 0.670) 2.206 8.077 ( -0.610 -2.234 -0.950) 2.503 8.199 ( -0.761 6.563 -0.323) 6.615 8.239 ( -3.626 2.435 1.038) 4.490 8.294 ( -2.057 -1.049 -4.634) 5.178 8.301 ( -0.357 -1.434 -2.188) 2.640 8.471 ( -1.571 -0.699 0.767) 1.883 8.500 ( 0.991 -3.386 -0.609) 3.580 8.536 ( -4.673 2.566 11.936) 13.073 8.589 ( -3.949 -2.753 11.068) 12.069 8.735 ( 4.512 1.342 -3.615) 5.935 8.745 ( 2.701 0.393 -1.403) 3.069 8.857 ( -3.471 3.041 2.083) 5.063 8.905 ( 0.286 -1.154 3.380) 3.583 8.954 ( 1.310 3.318 -3.415) 4.939 9.019 ( 1.911 -2.571 -4.411) 5.451 9.142 ( 3.279 2.934 1.471) 4.640 9.165 ( 0.736 0.832 -0.451) 1.199 9.212 ( -1.545 1.036 3.092) 3.608 9.251 ( -0.444 -3.076 -0.577) 3.161 9.354 ( 3.491 -1.704 2.892) 4.843 9.366 ( 2.275 -1.781 4.370) 5.239 9.433 ( -2.693 0.833 -0.426) 2.851 9.461 ( -1.475 -1.267 0.810) 2.106 9.490 ( 0.122 -1.062 -1.838) 2.126 9.499 ( -1.254 -0.875 -0.637) 1.656 9.619 ( -4.033 3.608 0.068) 5.412 9.663 ( 1.369 1.378 -1.655) 2.552 9.707 ( -3.225 -3.962 -0.904) 5.189 9.736 ( 0.841 -5.447 -2.577) 6.084 9.970 ( 1.147 -0.521 -0.357) 1.310 9.981 ( 1.036 -1.863 -0.790) 2.273 10.064 ( 4.831 0.996 2.789) 5.667 10.089 ( 2.284 -1.472 0.749) 2.819 10.295 ( 0.042 0.830 -0.368) 0.909 10.315 ( 3.013 -1.315 -1.711) 3.706 10.566 ( -1.932 1.070 0.508) 2.266 10.580 ( 0.831 -0.349 -0.746) 1.169 10.692 ( -1.691 0.548 0.937) 2.010 10.715 ( -1.304 -1.577 -0.496) 2.106 11.168 ( 0.106 5.128 0.587) 5.163 11.195 ( -4.221 4.624 -1.694) 6.486 11.322 ( 0.465 -1.210 0.455) 1.374 11.391 ( -2.114 -6.138 -5.492) 8.503 11.581 ( 1.213 3.816 3.249) 5.157 11.631 ( -1.261 0.297 0.701) 1.473 11.639 ( 2.083 2.588 1.576) 3.677 11.694 ( 0.612 -1.806 -0.946) 2.129 11.834 ( -3.286 3.305 2.777) 5.425 11.905 ( -1.356 -2.472 -2.456) 3.739 11.968 ( -1.528 -1.349 0.328) 2.065 12.006 ( 6.233 -3.752 -2.083) 7.568 13.232 ( -1.939 9.642 5.271) 11.158 13.359 ( 1.763 10.252 -6.326) 12.175 13.391 ( -1.752 -7.086 5.189) 8.956 13.523 ( 1.801 -7.145 -6.855) 10.064 15.298 ( 0.332 1.265 2.359) 2.697 15.336 ( 1.590 -2.864 -1.008) 3.428 15.684 ( 0.570 1.127 -2.913) 3.175 15.689 ( 0.021 0.639 -3.361) 3.421 16.276 ( 2.064 0.338 1.347) 2.488 16.282 ( 0.761 -0.272 0.904) 1.212 16.411 ( -1.971 1.798 0.422) 2.701 16.429 ( -3.405 -0.083 -1.268) 3.635 16.932 ( 0.900 0.231 -0.394) 1.010 16.939 ( -0.109 -0.378 -0.972) 1.049 17.322 ( -0.711 0.518 2.112) 2.288 17.350 ( 0.915 -2.408 -0.646) 2.656 17.535 ( -2.133 5.100 6.565) 8.582 17.620 ( 0.471 -1.875 0.951) 2.154 17.781 ( -0.735 -1.795 0.295) 1.962 17.844 ( 0.489 -6.234 -3.509) 7.171 18.406 ( 2.293 3.592 4.603) 6.273 18.456 ( 1.404 -1.579 2.534) 3.300 18.540 ( -0.457 2.415 0.233) 2.469 18.575 ( -1.006 -1.321 3.445) 3.824 18.624 ( -1.330 1.433 -2.475) 3.154 18.652 ( -1.514 -1.208 0.603) 2.028 18.702 ( -1.318 0.987 -4.325) 4.628 18.728 ( 3.068 -1.511 -4.216) 5.428 19.432 ( 0.080 0.438 0.771) 0.890 19.441 ( 0.072 -0.539 0.642) 0.842 19.462 ( 0.108 0.803 -0.967) 1.261 19.476 ( -0.249 -0.577 -1.486) 1.613 ======================= Grid point 81 (47/48) ======================= q-point: (-0.33 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.734 ( -15.840 9.236 13.153) 22.566 1.869 ( -13.088 5.405 13.692) 19.697 1.971 ( -7.916 3.836 5.161) 10.198 2.112 ( -14.097 -1.447 0.327) 14.175 2.133 ( -12.498 5.343 1.440) 13.669 2.293 ( -4.062 -9.481 1.589) 10.437 2.400 ( 1.211 -2.146 -1.250) 2.763 2.425 ( -2.640 -5.489 -1.062) 6.183 2.614 ( -3.408 8.492 -3.946) 9.965 2.696 ( -0.549 1.205 -2.304) 2.658 2.773 ( 5.626 7.659 -4.326) 10.442 2.800 ( -4.612 1.654 -1.664) 5.175 2.876 ( 5.963 -3.099 -7.905) 10.376 2.916 ( -4.601 4.676 10.582) 12.451 2.967 ( 3.137 -9.386 -5.394) 11.271 3.018 ( -1.212 -4.182 5.114) 6.716 3.086 ( 1.074 -0.409 -1.444) 1.845 3.148 ( 1.429 -6.437 0.037) 6.594 3.183 ( 5.780 3.588 -2.675) 7.310 3.190 ( -3.280 3.765 0.049) 4.994 3.254 ( 7.271 0.148 -2.370) 7.649 3.288 ( 2.098 -2.659 -0.937) 3.514 3.338 ( -2.438 2.924 3.053) 4.880 3.413 ( -0.230 -4.229 3.916) 5.768 3.453 ( 3.598 3.333 1.103) 5.027 3.551 ( -0.718 -2.297 -0.036) 2.407 3.565 ( 3.049 2.831 2.814) 5.023 3.639 ( 5.888 -2.202 3.032) 6.979 3.693 ( -1.399 2.093 2.620) 3.634 3.745 ( 2.704 2.337 -2.873) 4.585 3.776 ( -5.461 -4.810 3.937) 8.274 3.814 ( -1.898 -2.205 0.073) 2.910 3.859 ( -8.050 1.657 4.492) 9.366 3.907 ( -3.697 -0.764 2.242) 4.391 3.941 ( -2.784 -0.337 4.654) 5.433 3.983 ( 1.966 -1.274 -2.307) 3.288 4.067 ( -2.148 1.924 -2.528) 3.835 4.133 ( -2.699 -3.701 -1.945) 4.976 4.189 ( 3.956 -0.911 -0.551) 4.097 4.226 ( -0.577 -3.802 2.509) 4.591 4.267 ( -4.701 1.163 -1.037) 4.952 4.339 ( -0.592 -1.696 -1.808) 2.549 4.390 ( -0.508 0.002 1.656) 1.732 4.434 ( 1.258 -2.112 -0.196) 2.466 4.483 ( -1.638 0.206 -5.772) 6.004 4.498 ( -1.030 -0.230 -2.265) 2.499 4.544 ( 3.842 2.515 2.488) 5.223 4.597 ( 2.333 -3.555 -0.319) 4.264 4.699 ( -2.053 6.808 4.899) 8.635 4.763 ( -0.196 1.471 1.122) 1.860 4.800 ( 1.330 2.496 0.628) 2.897 4.842 ( 3.313 1.610 -1.948) 4.167 4.861 ( 4.326 -1.395 -1.774) 4.879 4.900 ( 5.377 -0.814 -0.549) 5.466 4.977 ( -5.562 -0.613 -3.259) 6.475 5.041 ( -0.561 -5.157 -1.357) 5.361 5.108 ( 2.698 4.012 0.888) 4.915 5.123 ( 0.206 2.803 -0.907) 2.953 5.151 ( 4.111 0.056 -1.871) 4.517 5.220 ( 6.785 -2.513 -0.557) 7.257 5.274 ( 4.576 0.265 -1.806) 4.927 5.305 ( 2.434 -1.428 -0.153) 2.826 5.354 ( 1.889 1.380 -0.967) 2.531 5.390 ( 0.832 -2.302 -0.568) 2.513 5.408 ( 2.605 3.129 0.441) 4.096 5.432 ( -0.523 3.073 1.724) 3.562 5.523 ( -0.717 -0.370 0.068) 0.809 5.567 ( 0.980 -0.882 -5.536) 5.691 5.583 ( 3.553 0.737 -0.275) 3.639 5.607 ( 2.946 -0.138 -2.669) 3.977 5.657 ( 0.067 4.246 -1.367) 4.461 5.721 ( -0.147 -1.644 -2.264) 2.802 5.741 ( 0.415 0.150 1.258) 1.333 5.752 ( 0.731 0.150 0.243) 0.785 5.806 ( 1.317 3.757 -1.138) 4.140 5.864 ( -0.768 -1.803 -2.045) 2.833 5.926 ( -0.829 1.285 2.389) 2.837 5.963 ( 1.715 -1.825 0.227) 2.514 6.009 ( -3.306 -0.009 0.914) 3.430 6.021 ( -1.784 -1.552 -3.764) 4.446 6.080 ( 4.443 1.062 2.171) 5.058 6.124 ( 7.763 -3.079 4.543) 9.507 6.249 ( 4.105 1.820 -6.414) 7.830 6.277 ( 2.353 -0.278 -6.694) 7.101 6.280 ( 2.261 1.014 -3.087) 3.958 6.343 ( 0.342 0.443 -1.263) 1.381 6.358 ( -1.137 -1.653 -3.133) 3.720 6.411 ( -1.911 -2.009 -0.938) 2.927 6.535 ( 0.780 0.116 1.410) 1.615 6.549 ( 0.244 0.091 2.259) 2.274 6.641 ( 2.478 1.364 -1.404) 3.158 6.648 ( -0.625 0.565 1.860) 2.042 6.673 ( 1.670 -0.230 -1.372) 2.173 6.683 ( 1.751 1.006 5.158) 5.539 6.725 ( 2.959 1.965 2.599) 4.401 6.761 ( 2.649 -1.515 -0.473) 3.088 6.812 ( -0.596 -0.605 3.445) 3.548 6.835 ( 0.603 -2.559 0.387) 2.658 6.861 ( 4.223 -1.712 -0.835) 4.632 6.921 ( 1.939 -5.106 -1.531) 5.673 6.976 ( -0.952 2.561 -1.435) 3.086 7.017 ( 0.947 -0.901 -3.845) 4.061 7.124 ( -0.615 0.610 -0.495) 0.998 7.164 ( -0.087 -1.969 -3.310) 3.852 7.249 ( -0.203 3.714 -0.473) 3.749 7.310 ( 0.784 -2.550 -2.203) 3.460 7.383 ( -3.291 2.886 -0.082) 4.377 7.420 ( 1.055 0.870 3.989) 4.217 7.481 ( 1.006 2.479 -0.864) 2.812 7.541 ( 3.965 0.360 -0.205) 3.986 7.578 ( 3.394 -4.800 1.803) 6.149 7.610 ( 4.945 -3.046 -1.837) 6.092 7.686 ( -0.844 1.603 4.271) 4.640 7.737 ( -2.257 -3.337 3.660) 5.443 7.851 ( -4.867 3.276 -2.588) 6.413 7.903 ( -1.355 2.395 1.333) 3.057 7.934 ( -2.281 -1.111 -2.887) 3.844 7.953 ( -3.477 2.714 -3.234) 5.469 7.995 ( -0.597 1.563 2.566) 3.063 8.023 ( -0.368 1.497 1.521) 2.166 8.036 ( 0.508 0.011 3.309) 3.348 8.077 ( -0.710 -2.963 -0.794) 3.149 8.192 ( -2.292 5.078 3.917) 6.810 8.216 ( 0.455 4.556 -0.109) 4.580 8.284 ( 1.029 -4.009 2.952) 5.083 8.325 ( 2.221 -3.995 0.751) 4.632 8.430 ( -3.395 1.460 3.093) 4.819 8.484 ( -5.867 -1.710 6.932) 9.242 8.517 ( -2.231 0.912 4.629) 5.219 8.575 ( -2.849 -3.933 6.068) 7.772 8.719 ( -2.505 0.688 -3.590) 4.431 8.731 ( -0.444 -0.077 -5.856) 5.873 8.771 ( -6.301 5.630 1.339) 8.556 8.876 ( -3.615 -3.217 0.906) 4.923 9.011 ( -1.790 3.156 -4.197) 5.548 9.029 ( 1.942 1.070 -1.960) 2.959 9.082 ( -4.454 -1.789 -0.795) 4.865 9.109 ( -5.770 -1.880 -0.791) 6.120 9.175 ( -4.872 2.460 -0.581) 5.488 9.243 ( -3.147 -5.346 0.435) 6.219 9.295 ( -2.068 3.207 -1.210) 4.003 9.347 ( -1.098 -2.717 -0.706) 3.015 9.439 ( -0.649 0.798 0.215) 1.051 9.462 ( 1.506 0.758 1.235) 2.090 9.534 ( 3.976 0.547 0.509) 4.045 9.573 ( 2.234 0.467 5.671) 6.113 9.586 ( 3.093 0.239 1.894) 3.635 9.673 ( -2.235 -6.492 1.084) 6.951 9.737 ( 4.916 0.450 0.441) 4.957 9.770 ( 3.228 -2.402 1.625) 4.339 9.966 ( -1.159 -0.346 -2.902) 3.144 9.971 ( -0.134 -1.039 -1.344) 1.703 10.050 ( -2.652 1.767 -5.636) 6.474 10.099 ( -1.211 -2.801 -4.577) 5.500 10.258 ( -0.947 3.920 -1.957) 4.483 10.336 ( 1.781 -4.178 -4.078) 6.104 10.518 ( -2.183 1.008 2.928) 3.789 10.548 ( -4.308 -1.969 -0.527) 4.766 10.771 ( 7.655 2.346 2.456) 8.375 10.814 ( 6.453 -2.255 0.413) 6.848 11.068 ( -6.272 5.789 2.627) 8.931 11.144 ( -4.926 -0.564 3.895) 6.305 11.299 ( -2.724 -0.853 -1.528) 3.238 11.335 ( -1.580 -3.678 2.426) 4.681 11.571 ( -2.754 3.302 -0.254) 4.307 11.606 ( -3.402 3.397 -0.266) 4.814 11.616 ( -2.933 -1.012 0.800) 3.204 11.668 ( -3.708 -2.818 -1.294) 4.834 11.823 ( 1.585 3.601 3.675) 5.384 11.902 ( 2.234 -4.263 2.963) 5.651 12.019 ( 6.297 7.553 -4.386) 10.767 12.156 ( 9.374 -6.777 -3.729) 12.153 13.238 ( -0.992 9.906 5.736) 11.490 13.374 ( 2.587 6.965 -3.781) 8.337 13.407 ( 0.810 -4.111 3.143) 5.238 13.538 ( 3.814 -6.729 -6.530) 10.122 15.268 ( -3.487 2.422 -0.235) 4.252 15.326 ( -1.519 -3.272 -2.844) 4.594 15.636 ( -2.843 2.054 -1.825) 3.954 15.665 ( -1.730 -0.881 -1.684) 2.570 16.238 ( -2.815 1.121 -0.731) 3.116 16.261 ( -1.919 -1.273 -0.573) 2.373 16.466 ( 4.225 1.779 2.410) 5.179 16.479 ( 5.141 0.466 3.855) 6.442 16.927 ( 0.313 1.577 -0.875) 1.830 16.958 ( 1.821 -1.724 -0.419) 2.543 17.309 ( -2.000 2.053 1.740) 3.353 17.359 ( 0.496 -3.329 -1.683) 3.763 17.507 ( -4.235 5.293 5.432) 8.687 17.608 ( -2.208 -3.203 0.868) 3.986 17.782 ( 0.120 -2.010 1.540) 2.535 17.841 ( 1.033 -5.877 -2.358) 6.417 18.317 ( -7.053 3.256 -1.636) 7.939 18.371 ( -7.295 -2.632 -1.807) 7.963 18.514 ( -2.402 2.645 1.638) 3.930 18.558 ( -2.986 -2.107 1.365) 3.901 18.669 ( 3.124 1.954 2.969) 4.732 18.705 ( 4.935 -1.843 2.078) 5.663 18.800 ( 10.859 3.683 -2.239) 11.683 18.853 ( 10.322 -2.103 -4.778) 11.567 19.431 ( -0.392 0.820 0.231) 0.937 19.446 ( -0.180 -0.738 0.236) 0.796 19.456 ( 0.150 0.772 -0.610) 0.995 19.472 ( 0.408 -0.885 -0.248) 1.005 ======================= Grid point 82 (48/48) ======================= q-point: (-0.17 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 1.97e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( -12.246 15.088 15.591) 24.914 1.773 ( -6.370 -4.241 9.954) 12.556 1.859 ( -8.671 11.551 15.430) 21.135 1.914 ( -3.664 0.862 5.788) 6.905 1.978 ( -5.373 2.163 4.871) 7.568 2.230 ( -5.345 -12.777 11.036) 17.709 2.341 ( -5.146 7.012 -0.890) 8.743 2.407 ( -1.634 -2.963 2.729) 4.347 2.539 ( -0.788 6.313 -3.111) 7.082 2.642 ( -3.625 0.384 0.389) 3.666 2.703 ( -1.841 2.405 -1.696) 3.471 2.789 ( -1.255 4.717 -7.497) 8.946 2.841 ( -2.334 -6.313 0.120) 6.732 2.892 ( -2.068 -2.802 -3.043) 4.625 2.949 ( -0.015 -6.560 -11.793) 13.495 2.970 ( -2.472 -3.499 -0.832) 4.364 3.087 ( -2.809 0.964 -3.741) 4.776 3.126 ( -4.137 -3.280 2.009) 5.649 3.170 ( -1.820 7.792 6.632) 10.393 3.228 ( 2.608 1.599 -0.008) 3.059 3.297 ( -0.492 -0.978 -3.635) 3.796 3.343 ( 0.902 -2.402 3.891) 4.661 3.439 ( 5.946 1.786 3.873) 7.317 3.454 ( 5.260 2.061 -0.454) 5.668 3.542 ( -1.720 1.347 7.597) 7.905 3.582 ( 3.426 1.798 2.091) 4.398 3.616 ( -8.732 1.230 3.519) 9.494 3.657 ( 4.252 0.045 -0.876) 4.341 3.718 ( 3.490 -3.514 -1.637) 5.216 3.756 ( 1.298 -5.152 2.349) 5.809 3.763 ( 0.801 -1.988 3.913) 4.461 3.793 ( -2.223 -6.340 -2.622) 7.212 3.826 ( 0.852 0.187 -2.841) 2.972 3.852 ( -0.655 0.097 -3.538) 3.600 3.938 ( 3.044 3.371 -4.313) 6.263 4.007 ( 2.077 -0.798 -5.579) 6.006 4.062 ( -0.573 -1.737 -2.580) 3.163 4.080 ( 3.881 -0.900 -1.241) 4.173 4.163 ( -2.385 4.567 -6.629) 8.396 4.242 ( 0.066 -0.779 2.981) 3.082 4.251 ( -2.962 -4.695 -2.185) 5.966 4.292 ( 0.395 -3.149 0.448) 3.205 4.375 ( -0.014 2.838 -3.854) 4.787 4.403 ( -0.136 1.393 -2.129) 2.548 4.462 ( 1.178 1.266 -0.126) 1.734 4.503 ( 2.959 -4.123 -1.002) 5.173 4.583 ( -4.301 3.542 1.456) 5.759 4.625 ( -0.898 -1.047 0.747) 1.569 4.661 ( -0.130 4.125 1.913) 4.548 4.740 ( -8.250 1.179 -1.959) 8.561 4.786 ( 0.128 -0.244 2.120) 2.137 4.842 ( -1.249 -1.608 -0.274) 2.054 4.855 ( -0.370 1.836 -6.792) 7.045 4.922 ( 1.456 -5.681 -0.815) 5.921 5.010 ( 6.493 2.352 4.371) 8.172 5.029 ( 4.942 0.123 2.079) 5.363 5.155 ( 0.130 2.057 -1.114) 2.343 5.171 ( 1.948 1.136 -0.839) 2.406 5.203 ( -0.340 1.609 3.712) 4.060 5.222 ( -3.058 0.420 3.889) 4.965 5.328 ( -0.657 0.195 -0.643) 0.940 5.345 ( 1.754 1.038 -1.573) 2.575 5.402 ( 1.461 -0.251 0.885) 1.727 5.412 ( 1.078 -3.877 -1.348) 4.244 5.426 ( 4.475 1.388 -2.834) 5.476 5.500 ( 2.334 -2.801 -3.356) 4.955 5.535 ( 3.692 2.069 -1.515) 4.495 5.580 ( 1.129 1.576 -3.965) 4.414 5.595 ( 1.368 1.601 1.913) 2.845 5.637 ( -2.663 -3.904 0.803) 4.794 5.680 ( 3.384 2.696 3.259) 5.417 5.727 ( 0.474 1.744 -1.849) 2.585 5.755 ( 1.260 1.210 0.186) 1.757 5.826 ( 1.385 -4.388 -2.880) 5.429 5.859 ( 4.359 2.698 1.886) 5.463 5.874 ( 1.281 2.510 3.405) 4.420 5.918 ( 1.462 1.631 -2.589) 3.391 5.959 ( -0.966 -2.445 0.350) 2.652 5.995 ( 2.139 -0.753 1.736) 2.856 6.046 ( 3.921 -5.958 -0.083) 7.133 6.153 ( -1.848 1.173 -2.834) 3.581 6.185 ( 1.351 0.570 -1.080) 1.821 6.219 ( -0.469 -0.021 -1.122) 1.216 6.269 ( -2.042 -5.284 0.405) 5.679 6.298 ( 0.163 4.034 -0.455) 4.063 6.350 ( 2.506 -0.382 -0.392) 2.565 6.449 ( 6.974 1.432 -1.822) 7.349 6.487 ( 7.372 -2.122 -0.688) 7.702 6.541 ( -2.992 1.820 -2.168) 4.119 6.587 ( -0.824 -1.693 -4.565) 4.938 6.612 ( 2.799 -0.334 -3.807) 4.737 6.645 ( 2.183 -2.980 2.762) 4.613 6.678 ( -2.079 -0.056 -1.100) 2.353 6.715 ( 1.692 -1.834 -3.644) 4.417 6.775 ( 3.256 1.554 -0.670) 3.669 6.826 ( -0.398 0.768 6.929) 6.983 6.831 ( -0.904 3.813 0.049) 3.919 6.901 ( 3.581 -1.554 2.689) 4.741 6.915 ( 1.033 -3.065 1.529) 3.577 6.983 ( 4.055 0.719 -0.175) 4.122 7.005 ( 3.418 -4.110 -2.956) 6.108 7.040 ( 4.988 1.064 0.094) 5.101 7.105 ( 1.844 0.935 -3.434) 4.008 7.123 ( 0.279 -4.215 -1.166) 4.382 7.252 ( -1.084 7.273 2.864) 7.892 7.357 ( 5.410 -0.536 0.485) 5.458 7.393 ( 2.613 -1.425 -1.407) 3.292 7.430 ( -2.522 -7.004 1.095) 7.524 7.478 ( 1.408 6.770 -1.460) 7.067 7.568 ( -2.570 0.846 0.751) 2.808 7.588 ( -5.081 1.346 4.801) 7.119 7.634 ( -3.005 -0.491 3.056) 4.314 7.715 ( 1.174 3.726 -0.298) 3.918 7.759 ( 1.418 -0.742 0.484) 1.672 7.775 ( -0.462 1.024 2.241) 2.507 7.808 ( -0.826 -0.840 0.922) 1.496 7.914 ( 0.112 4.261 -4.016) 5.856 7.950 ( -1.269 7.236 1.516) 7.502 8.004 ( 2.391 -3.369 -2.258) 4.708 8.039 ( -0.792 0.220 0.015) 0.822 8.073 ( 1.613 -2.381 1.476) 3.233 8.108 ( 4.746 -0.213 2.876) 5.553 8.163 ( -1.393 2.579 0.156) 2.935 8.209 ( -0.016 -1.338 -0.856) 1.588 8.298 ( -2.456 -2.435 3.564) 4.966 8.326 ( -5.216 -5.084 6.756) 9.935 8.379 ( -2.903 1.059 0.629) 3.153 8.411 ( -4.959 -1.867 2.048) 5.680 8.475 ( -4.401 1.965 3.167) 5.768 8.505 ( -8.060 -1.505 3.153) 8.784 8.655 ( -3.865 2.022 1.202) 4.525 8.666 ( -3.231 1.670 -0.378) 3.657 8.700 ( -0.052 0.817 -0.146) 0.832 8.771 ( -4.912 -5.595 -1.215) 7.544 8.857 ( -5.693 3.816 -6.805) 9.658 8.926 ( -4.981 -3.186 -4.760) 7.590 9.003 ( -4.837 -1.805 2.944) 5.943 9.039 ( -4.458 -4.908 2.868) 7.224 9.111 ( -1.109 5.498 -2.953) 6.339 9.178 ( -1.064 -2.286 -2.476) 3.533 9.327 ( 1.968 4.575 0.199) 4.984 9.350 ( 1.005 0.768 -1.501) 1.963 9.428 ( 0.932 -0.349 -0.966) 1.387 9.496 ( 1.173 -3.269 -0.182) 3.478 9.548 ( -3.317 3.891 -0.074) 5.113 9.592 ( -1.647 -0.041 2.236) 2.777 9.645 ( 1.855 1.443 2.250) 3.254 9.711 ( 3.954 -4.205 3.577) 6.790 9.802 ( -0.322 1.078 0.604) 1.277 9.852 ( 1.278 -3.183 3.526) 4.919 9.917 ( -0.531 0.414 -1.990) 2.101 9.947 ( -0.806 -3.098 -1.824) 3.684 10.028 ( 3.619 1.411 -2.886) 4.840 10.072 ( 2.492 -2.610 -3.112) 4.765 10.248 ( 2.677 4.548 -6.295) 8.214 10.326 ( 1.453 -3.790 -9.417) 10.255 10.477 ( -3.076 3.045 7.201) 8.402 10.537 ( -0.256 -3.587 7.926) 8.704 10.834 ( -3.104 -0.162 -1.299) 3.369 10.854 ( -2.363 -2.252 -0.935) 3.396 11.054 ( 2.833 3.159 1.106) 4.385 11.111 ( 0.895 -2.229 2.728) 3.635 11.238 ( -2.731 3.699 0.820) 4.671 11.333 ( -1.532 -5.622 5.996) 8.361 11.491 ( -6.184 2.262 -0.315) 6.592 11.509 ( -3.444 0.705 2.158) 4.124 11.575 ( -2.356 -0.288 -2.115) 3.179 11.592 ( -1.454 -2.159 -1.159) 2.849 11.900 ( 2.571 5.803 4.623) 7.852 11.996 ( 3.755 -3.964 4.819) 7.282 12.111 ( 5.696 10.301 -5.716) 13.085 12.278 ( 5.584 -7.416 -6.272) 11.204 13.259 ( -0.856 10.042 6.337) 11.905 13.396 ( 0.948 1.720 -0.451) 2.015 13.452 ( 2.604 1.116 -1.115) 3.045 13.575 ( 3.895 -6.025 -7.019) 10.037 15.197 ( -2.470 3.937 -1.107) 4.778 15.257 ( -3.007 -1.692 -3.085) 4.628 15.577 ( -1.950 0.963 -0.377) 2.207 15.610 ( -2.662 -2.032 -0.761) 3.435 16.212 ( -0.029 1.497 0.462) 1.567 16.241 ( -0.025 -1.581 -0.206) 1.594 16.544 ( 1.853 2.019 1.870) 3.317 16.573 ( 1.593 -0.767 2.469) 3.037 16.963 ( 4.113 3.286 0.494) 5.287 17.019 ( 4.377 -2.612 1.377) 5.279 17.251 ( -5.214 4.524 1.089) 6.988 17.326 ( -2.834 -3.512 -2.875) 5.351 17.476 ( -1.073 2.883 3.553) 4.700 17.556 ( -3.837 -3.895 2.373) 5.961 17.799 ( 0.582 -1.674 1.630) 2.407 17.850 ( 0.949 -5.352 -1.312) 5.592 18.198 ( -3.644 2.354 -1.960) 4.761 18.237 ( -4.603 -1.894 -2.708) 5.666 18.480 ( -1.877 1.914 1.801) 3.230 18.513 ( -1.793 -1.435 0.032) 2.296 18.754 ( 2.321 2.411 5.819) 6.712 18.805 ( 3.279 -2.960 3.792) 5.822 18.978 ( 8.311 1.478 -6.166) 10.454 18.992 ( 6.829 -0.234 -7.250) 9.963 19.426 ( -0.173 1.049 0.416) 1.142 19.441 ( -0.039 -0.330 0.048) 0.335 19.464 ( 0.476 0.323 0.120) 0.588 19.479 ( 0.277 -1.107 0.076) 1.144 =================== 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 3/30600 10.0 879.108 1087.422 923.239 0.000 259.336 0.000 3/30600 20.0 86.448 72.987 77.535 0.000 11.283 0.000 3/30600 30.0 25.242 20.393 21.592 0.000 2.652 0.000 3/30600 40.0 12.055 9.684 10.296 0.000 1.113 0.000 3/30600 50.0 7.319 5.885 6.296 0.000 0.617 0.000 3/30600 60.0 5.086 4.099 4.413 0.000 0.399 0.000 3/30600 70.0 3.846 3.107 3.364 0.000 0.285 0.000 3/30600 80.0 3.077 2.492 2.711 0.000 0.218 0.000 3/30600 90.0 2.562 2.078 2.272 0.000 0.174 0.000 3/30600 100.0 2.196 1.784 1.958 0.000 0.144 0.000 3/30600 110.0 1.924 1.566 1.723 0.000 0.123 0.000 3/30600 120.0 1.715 1.397 1.542 0.000 0.107 0.000 3/30600 130.0 1.548 1.263 1.397 0.000 0.094 0.000 3/30600 140.0 1.413 1.154 1.279 0.000 0.084 0.000 3/30600 150.0 1.301 1.063 1.181 0.000 0.076 0.000 3/30600 160.0 1.207 0.987 1.098 0.000 0.069 0.000 3/30600 170.0 1.126 0.921 1.026 0.000 0.064 0.000 3/30600 180.0 1.056 0.865 0.964 0.000 0.059 0.000 3/30600 190.0 0.995 0.815 0.910 0.000 0.054 0.000 3/30600 200.0 0.941 0.771 0.862 0.000 0.051 0.000 3/30600 210.0 0.893 0.732 0.819 0.000 0.048 0.000 3/30600 220.0 0.850 0.697 0.780 0.000 0.045 0.000 3/30600 230.0 0.811 0.665 0.745 0.000 0.042 0.000 3/30600 240.0 0.776 0.637 0.714 0.000 0.040 0.000 3/30600 250.0 0.744 0.610 0.685 0.000 0.038 0.000 3/30600 260.0 0.714 0.586 0.658 0.000 0.036 0.000 3/30600 270.0 0.687 0.564 0.633 0.000 0.035 0.000 3/30600 280.0 0.662 0.544 0.611 0.000 0.033 0.000 3/30600 290.0 0.639 0.525 0.589 0.000 0.032 0.000 3/30600 300.0 0.617 0.507 0.570 0.000 0.030 0.000 3/30600 310.0 0.597 0.490 0.551 0.000 0.029 0.000 3/30600 320.0 0.578 0.475 0.534 0.000 0.028 0.000 3/30600 330.0 0.560 0.460 0.518 0.000 0.027 0.000 3/30600 340.0 0.544 0.447 0.503 0.000 0.026 0.000 3/30600 350.0 0.528 0.434 0.489 0.000 0.025 0.000 3/30600 360.0 0.513 0.422 0.475 0.000 0.024 0.000 3/30600 370.0 0.499 0.410 0.463 0.000 0.024 0.000 3/30600 380.0 0.486 0.400 0.450 0.000 0.023 0.000 3/30600 390.0 0.474 0.389 0.439 0.000 0.022 0.000 3/30600 400.0 0.462 0.380 0.428 0.000 0.022 0.000 3/30600 410.0 0.451 0.370 0.418 0.000 0.021 0.000 3/30600 420.0 0.440 0.362 0.408 0.000 0.020 0.000 3/30600 430.0 0.430 0.353 0.399 0.000 0.020 0.000 3/30600 440.0 0.420 0.345 0.390 0.000 0.019 0.000 3/30600 450.0 0.411 0.338 0.381 0.000 0.019 0.000 3/30600 460.0 0.402 0.330 0.373 0.000 0.018 0.000 3/30600 470.0 0.393 0.323 0.365 0.000 0.018 0.000 3/30600 480.0 0.385 0.317 0.357 0.000 0.018 0.000 3/30600 490.0 0.377 0.310 0.350 0.000 0.017 0.000 3/30600 500.0 0.370 0.304 0.343 0.000 0.017 0.000 3/30600 510.0 0.363 0.298 0.337 0.000 0.016 0.000 3/30600 520.0 0.356 0.292 0.330 0.000 0.016 0.000 3/30600 530.0 0.349 0.287 0.324 0.000 0.016 0.000 3/30600 540.0 0.342 0.282 0.318 0.000 0.015 0.000 3/30600 550.0 0.336 0.276 0.312 0.000 0.015 0.000 3/30600 560.0 0.330 0.271 0.307 0.000 0.015 0.000 3/30600 570.0 0.325 0.267 0.302 0.000 0.015 0.000 3/30600 580.0 0.319 0.262 0.296 0.000 0.014 0.000 3/30600 590.0 0.314 0.258 0.291 0.000 0.014 0.000 3/30600 600.0 0.308 0.253 0.287 0.000 0.014 0.000 3/30600 610.0 0.303 0.249 0.282 0.000 0.014 0.000 3/30600 620.0 0.298 0.245 0.277 0.000 0.013 0.000 3/30600 630.0 0.294 0.241 0.273 0.000 0.013 0.000 3/30600 640.0 0.289 0.238 0.269 0.000 0.013 0.000 3/30600 650.0 0.285 0.234 0.265 0.000 0.013 0.000 3/30600 660.0 0.280 0.231 0.261 0.000 0.012 0.000 3/30600 670.0 0.276 0.227 0.257 0.000 0.012 0.000 3/30600 680.0 0.272 0.224 0.253 0.000 0.012 0.000 3/30600 690.0 0.268 0.221 0.250 0.000 0.012 0.000 3/30600 700.0 0.264 0.217 0.246 0.000 0.012 0.000 3/30600 710.0 0.261 0.214 0.243 0.000 0.011 0.000 3/30600 720.0 0.257 0.211 0.239 0.000 0.011 0.000 3/30600 730.0 0.254 0.208 0.236 0.000 0.011 0.000 3/30600 740.0 0.250 0.206 0.233 0.000 0.011 0.000 3/30600 750.0 0.247 0.203 0.230 0.000 0.011 0.000 3/30600 760.0 0.244 0.200 0.227 0.000 0.011 0.000 3/30600 770.0 0.241 0.198 0.224 0.000 0.011 0.000 3/30600 780.0 0.237 0.195 0.221 0.000 0.010 0.000 3/30600 790.0 0.234 0.193 0.218 0.000 0.010 0.000 3/30600 800.0 0.232 0.190 0.215 0.000 0.010 0.000 3/30600 810.0 0.229 0.188 0.213 0.000 0.010 0.000 3/30600 820.0 0.226 0.186 0.210 0.000 0.010 0.000 3/30600 830.0 0.223 0.183 0.208 0.000 0.010 0.000 3/30600 840.0 0.221 0.181 0.205 0.000 0.010 0.000 3/30600 850.0 0.218 0.179 0.203 0.000 0.010 0.000 3/30600 860.0 0.215 0.177 0.200 0.000 0.009 0.000 3/30600 870.0 0.213 0.175 0.198 0.000 0.009 0.000 3/30600 880.0 0.211 0.173 0.196 0.000 0.009 0.000 3/30600 890.0 0.208 0.171 0.194 0.000 0.009 0.000 3/30600 900.0 0.206 0.169 0.192 0.000 0.009 0.000 3/30600 910.0 0.204 0.167 0.190 0.000 0.009 0.000 3/30600 920.0 0.201 0.166 0.187 0.000 0.009 0.000 3/30600 930.0 0.199 0.164 0.185 0.000 0.009 0.000 3/30600 940.0 0.197 0.162 0.184 0.000 0.009 0.000 3/30600 950.0 0.195 0.160 0.182 0.000 0.008 0.000 3/30600 960.0 0.193 0.159 0.180 0.000 0.008 0.000 3/30600 970.0 0.191 0.157 0.178 0.000 0.008 0.000 3/30600 980.0 0.189 0.155 0.176 0.000 0.008 0.000 3/30600 990.0 0.187 0.154 0.174 0.000 0.008 0.000 3/30600 1000.0 0.185 0.152 0.173 0.000 0.008 0.000 3/30600 Thermal conductivity related properties were written into "kappa-m655.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:07:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|