----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:38:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.181180319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.161272769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.358640940000000 Atomic positions (fractional): *1 Sr 0.00000000000000 0.50000000000000 0.14475274727835 87.620 *2 Sr 0.00000000000000 0.00000000000000 0.46408678638592 87.620 3 Sr 0.50000000000000 0.50000000000000 0.53591321361408 87.620 4 Sr 0.50000000000000 0.00000000000000 0.85524725272165 87.620 *5 Rh 0.00000000000000 0.74392884253326 0.50175331129769 102.906 6 Rh 0.00000000000000 0.25607115746674 0.50175331129769 102.906 *7 Rh 0.75000000000000 0.75000000000000 0.00000000000000 102.906 8 Rh 0.75000000000000 0.25000000000000 0.00000000000000 102.906 9 Rh 0.50000000000000 0.75607115746674 0.49824668870231 102.906 10 Rh 0.50000000000000 0.24392884253326 0.49824668870231 102.906 11 Rh 0.25000000000000 0.25000000000000 0.00000000000000 102.906 12 Rh 0.25000000000000 0.75000000000000 0.00000000000000 102.906 *13 O 0.00000000000000 0.16514863444843 0.17044582644457 15.999 *14 O 0.00000000000000 0.65845956373387 0.83601521904590 15.999 15 O 0.00000000000000 0.34154043626613 0.83601521904590 15.999 16 O 0.00000000000000 0.83485136555157 0.17044582644457 15.999 *17 O 0.75471417309926 0.15724622711704 0.66602880110806 15.999 18 O 0.74528582690074 0.34275377288296 0.33397119889194 15.999 19 O 0.74528582690074 0.65724622711704 0.33397119889194 15.999 20 O 0.75471417309926 0.84275377288296 0.66602880110806 15.999 21 O 0.50000000000000 0.15845956373387 0.16398478095410 15.999 22 O 0.50000000000000 0.84154043626613 0.16398478095410 15.999 23 O 0.50000000000000 0.33485136555157 0.82955417355543 15.999 24 O 0.50000000000000 0.66514863444843 0.82955417355543 15.999 25 O 0.24528582690074 0.15724622711704 0.66602880110806 15.999 26 O 0.25471417309926 0.34275377288296 0.33397119889194 15.999 27 O 0.25471417309926 0.65724622711704 0.33397119889194 15.999 28 O 0.24528582690074 0.84275377288296 0.66602880110806 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.181180319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.161272769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.358640940000000 Atomic positions (fractional): *1 Sr 0.00000000000000 0.50000000000000 0.14475274727835 87.620 > 1 *2 Sr 0.00000000000000 0.00000000000000 0.46408678638592 87.620 > 2 3 Sr 0.50000000000000 0.50000000000000 0.53591321361408 87.620 > 3 4 Sr 0.50000000000000 0.00000000000000 0.85524725272165 87.620 > 4 *5 Rh 0.00000000000000 0.74392884253326 0.50175331129769 102.906 > 5 6 Rh 0.00000000000000 0.25607115746674 0.50175331129769 102.906 > 6 *7 Rh 0.75000000000000 0.75000000000000 0.00000000000000 102.906 > 7 8 Rh 0.75000000000000 0.25000000000000 0.00000000000000 102.906 > 8 9 Rh 0.50000000000000 0.75607115746674 0.49824668870231 102.906 > 9 10 Rh 0.50000000000000 0.24392884253326 0.49824668870231 102.906 > 10 11 Rh 0.25000000000000 0.25000000000000 0.00000000000000 102.906 > 11 12 Rh 0.25000000000000 0.75000000000000 0.00000000000000 102.906 > 12 *13 O 0.00000000000000 0.16514863444843 0.17044582644457 15.999 > 13 *14 O 0.00000000000000 0.65845956373387 0.83601521904590 15.999 > 14 15 O 0.00000000000000 0.34154043626613 0.83601521904590 15.999 > 15 16 O 0.00000000000000 0.83485136555157 0.17044582644457 15.999 > 16 *17 O 0.75471417309926 0.15724622711704 0.66602880110806 15.999 > 17 18 O 0.74528582690074 0.34275377288296 0.33397119889194 15.999 > 18 19 O 0.74528582690074 0.65724622711704 0.33397119889194 15.999 > 19 20 O 0.75471417309926 0.84275377288296 0.66602880110806 15.999 > 20 21 O 0.50000000000000 0.15845956373387 0.16398478095410 15.999 > 21 22 O 0.50000000000000 0.84154043626613 0.16398478095410 15.999 > 22 23 O 0.50000000000000 0.33485136555157 0.82955417355543 15.999 > 23 24 O 0.50000000000000 0.66514863444843 0.82955417355543 15.999 > 24 25 O 0.24528582690074 0.15724622711704 0.66602880110806 15.999 > 25 26 O 0.25471417309926 0.34275377288296 0.33397119889194 15.999 > 26 27 O 0.25471417309926 0.65724622711704 0.33397119889194 15.999 > 27 28 O 0.24528582690074 0.84275377288296 0.66602880110806 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.362360639999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.161272769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.717281880000000 Atomic positions (fractional): *1 Sr 0.00000000000000 0.50000000000000 0.07237637363917 87.620 > 1 2 Sr 0.50000000000000 0.50000000000000 0.07237637363917 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.57237637363918 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.57237637363918 87.620 > 1 *5 Sr 0.00000000000000 0.00000000000000 0.23204339319296 87.620 > 2 6 Sr 0.50000000000000 0.00000000000000 0.23204339319296 87.620 > 2 7 Sr 0.00000000000000 0.00000000000000 0.73204339319296 87.620 > 2 8 Sr 0.50000000000000 0.00000000000000 0.73204339319296 87.620 > 2 9 Sr 0.25000000000000 0.50000000000000 0.26795660680704 87.620 > 3 10 Sr 0.75000000000000 0.50000000000000 0.26795660680704 87.620 > 3 11 Sr 0.25000000000000 0.50000000000000 0.76795660680704 87.620 > 3 12 Sr 0.75000000000000 0.50000000000000 0.76795660680704 87.620 > 3 13 Sr 0.25000000000000 0.00000000000000 0.42762362636083 87.620 > 4 14 Sr 0.75000000000000 0.00000000000000 0.42762362636083 87.620 > 4 15 Sr 0.25000000000000 0.00000000000000 0.92762362636083 87.620 > 4 16 Sr 0.75000000000000 0.00000000000000 0.92762362636083 87.620 > 4 *17 Rh 0.00000000000000 0.74392884253326 0.25087665564885 102.906 > 5 18 Rh 0.50000000000000 0.74392884253326 0.25087665564885 102.906 > 5 19 Rh 0.00000000000000 0.74392884253326 0.75087665564885 102.906 > 5 20 Rh 0.50000000000000 0.74392884253326 0.75087665564885 102.906 > 5 21 Rh 0.00000000000000 0.25607115746674 0.25087665564885 102.906 > 6 22 Rh 0.50000000000000 0.25607115746674 0.25087665564885 102.906 > 6 23 Rh 0.00000000000000 0.25607115746674 0.75087665564885 102.906 > 6 24 Rh 0.50000000000000 0.25607115746674 0.75087665564885 102.906 > 6 *25 Rh 0.37500000000000 0.75000000000000 0.00000000000000 102.906 > 7 26 Rh 0.87500000000000 0.75000000000000 0.00000000000000 102.906 > 7 27 Rh 0.37500000000000 0.75000000000000 0.50000000000000 102.906 > 7 28 Rh 0.87500000000000 0.75000000000000 0.50000000000000 102.906 > 7 29 Rh 0.37500000000000 0.25000000000000 0.00000000000000 102.906 > 8 30 Rh 0.87500000000000 0.25000000000000 0.00000000000000 102.906 > 8 31 Rh 0.37500000000000 0.25000000000000 0.50000000000000 102.906 > 8 32 Rh 0.87500000000000 0.25000000000000 0.50000000000000 102.906 > 8 33 Rh 0.25000000000000 0.75607115746674 0.24912334435115 102.906 > 9 34 Rh 0.75000000000000 0.75607115746674 0.24912334435115 102.906 > 9 35 Rh 0.25000000000000 0.75607115746674 0.74912334435115 102.906 > 9 36 Rh 0.75000000000000 0.75607115746674 0.74912334435115 102.906 > 9 37 Rh 0.25000000000000 0.24392884253326 0.24912334435115 102.906 > 10 38 Rh 0.75000000000000 0.24392884253326 0.24912334435115 102.906 > 10 39 Rh 0.25000000000000 0.24392884253326 0.74912334435115 102.906 > 10 40 Rh 0.75000000000000 0.24392884253326 0.74912334435115 102.906 > 10 41 Rh 0.12500000000000 0.25000000000000 0.00000000000000 102.906 > 11 42 Rh 0.62500000000000 0.25000000000000 0.00000000000000 102.906 > 11 43 Rh 0.12500000000000 0.25000000000000 0.50000000000000 102.906 > 11 44 Rh 0.62500000000000 0.25000000000000 0.50000000000000 102.906 > 11 45 Rh 0.12500000000000 0.75000000000000 0.00000000000000 102.906 > 12 46 Rh 0.62500000000000 0.75000000000000 0.00000000000000 102.906 > 12 47 Rh 0.12500000000000 0.75000000000000 0.50000000000000 102.906 > 12 48 Rh 0.62500000000000 0.75000000000000 0.50000000000000 102.906 > 12 *49 O 0.00000000000000 0.16514863444843 0.08522291322228 15.999 > 13 50 O 0.50000000000000 0.16514863444843 0.08522291322228 15.999 > 13 51 O 0.00000000000000 0.16514863444843 0.58522291322228 15.999 > 13 52 O 0.50000000000000 0.16514863444843 0.58522291322228 15.999 > 13 *53 O 0.00000000000000 0.65845956373387 0.41800760952295 15.999 > 14 54 O 0.50000000000000 0.65845956373387 0.41800760952295 15.999 > 14 55 O 0.00000000000000 0.65845956373387 0.91800760952295 15.999 > 14 56 O 0.50000000000000 0.65845956373387 0.91800760952295 15.999 > 14 57 O 0.00000000000000 0.34154043626613 0.41800760952295 15.999 > 15 58 O 0.50000000000000 0.34154043626613 0.41800760952295 15.999 > 15 59 O 0.00000000000000 0.34154043626613 0.91800760952295 15.999 > 15 60 O 0.50000000000000 0.34154043626613 0.91800760952295 15.999 > 15 61 O 0.00000000000000 0.83485136555157 0.08522291322228 15.999 > 16 62 O 0.50000000000000 0.83485136555157 0.08522291322228 15.999 > 16 63 O 0.00000000000000 0.83485136555157 0.58522291322228 15.999 > 16 64 O 0.50000000000000 0.83485136555157 0.58522291322228 15.999 > 16 *65 O 0.37735708654963 0.15724622711704 0.33301440055403 15.999 > 17 66 O 0.87735708654963 0.15724622711704 0.33301440055403 15.999 > 17 67 O 0.37735708654963 0.15724622711704 0.83301440055403 15.999 > 17 68 O 0.87735708654963 0.15724622711704 0.83301440055403 15.999 > 17 69 O 0.37264291345037 0.34275377288296 0.16698559944597 15.999 > 18 70 O 0.87264291345037 0.34275377288296 0.16698559944597 15.999 > 18 71 O 0.37264291345037 0.34275377288296 0.66698559944597 15.999 > 18 72 O 0.87264291345037 0.34275377288296 0.66698559944597 15.999 > 18 73 O 0.37264291345037 0.65724622711704 0.16698559944597 15.999 > 19 74 O 0.87264291345037 0.65724622711704 0.16698559944597 15.999 > 19 75 O 0.37264291345037 0.65724622711704 0.66698559944597 15.999 > 19 76 O 0.87264291345037 0.65724622711704 0.66698559944597 15.999 > 19 77 O 0.37735708654963 0.84275377288296 0.33301440055403 15.999 > 20 78 O 0.87735708654963 0.84275377288296 0.33301440055403 15.999 > 20 79 O 0.37735708654963 0.84275377288296 0.83301440055403 15.999 > 20 80 O 0.87735708654963 0.84275377288296 0.83301440055403 15.999 > 20 81 O 0.25000000000000 0.15845956373387 0.08199239047705 15.999 > 21 82 O 0.75000000000000 0.15845956373387 0.08199239047705 15.999 > 21 83 O 0.25000000000000 0.15845956373387 0.58199239047705 15.999 > 21 84 O 0.75000000000000 0.15845956373387 0.58199239047705 15.999 > 21 85 O 0.25000000000000 0.84154043626613 0.08199239047705 15.999 > 22 86 O 0.75000000000000 0.84154043626613 0.08199239047705 15.999 > 22 87 O 0.25000000000000 0.84154043626613 0.58199239047705 15.999 > 22 88 O 0.75000000000000 0.84154043626613 0.58199239047705 15.999 > 22 89 O 0.25000000000000 0.33485136555157 0.41477708677772 15.999 > 23 90 O 0.75000000000000 0.33485136555157 0.41477708677772 15.999 > 23 91 O 0.25000000000000 0.33485136555157 0.91477708677772 15.999 > 23 92 O 0.75000000000000 0.33485136555157 0.91477708677772 15.999 > 23 93 O 0.25000000000000 0.66514863444843 0.41477708677772 15.999 > 24 94 O 0.75000000000000 0.66514863444843 0.41477708677772 15.999 > 24 95 O 0.25000000000000 0.66514863444843 0.91477708677772 15.999 > 24 96 O 0.75000000000000 0.66514863444843 0.91477708677772 15.999 > 24 97 O 0.12264291345037 0.15724622711704 0.33301440055403 15.999 > 25 98 O 0.62264291345037 0.15724622711704 0.33301440055403 15.999 > 25 99 O 0.12264291345037 0.15724622711704 0.83301440055403 15.999 > 25 100 O 0.62264291345037 0.15724622711704 0.83301440055403 15.999 > 25 101 O 0.12735708654963 0.34275377288296 0.16698559944597 15.999 > 26 102 O 0.62735708654963 0.34275377288296 0.16698559944597 15.999 > 26 103 O 0.12735708654963 0.34275377288296 0.66698559944597 15.999 > 26 104 O 0.62735708654963 0.34275377288296 0.66698559944597 15.999 > 26 105 O 0.12735708654963 0.65724622711704 0.16698559944597 15.999 > 27 106 O 0.62735708654963 0.65724622711704 0.16698559944597 15.999 > 27 107 O 0.12735708654963 0.65724622711704 0.66698559944597 15.999 > 27 108 O 0.62735708654963 0.65724622711704 0.66698559944597 15.999 > 27 109 O 0.12264291345037 0.84275377288296 0.33301440055403 15.999 > 28 110 O 0.62264291345037 0.84275377288296 0.33301440055403 15.999 > 28 111 O 0.12264291345037 0.84275377288296 0.83301440055403 15.999 > 28 112 O 0.62264291345037 0.84275377288296 0.83301440055403 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9472957 0.0000000 0.0000000 0.0000000 4.4313769 0.0000000 0.0000000 0.0000000 7.9375889 -------------------------- Born effective charges -------------------------- 1 Sr 2.0594472 0.0000000 -0.0000000 0.0000000 4.3091493 -0.0000000 -0.0000000 0.0000000 2.1901220 2 Sr 1.9358572 0.0000000 -0.0000000 0.0000000 4.3548711 -0.0000000 -0.0000000 0.0000000 1.9833674 3 Sr 1.9358572 0.0000000 -0.0000000 0.0000000 4.3548711 -0.0000000 -0.0000000 0.0000000 1.9833674 4 Sr 2.0594472 0.0000000 -0.0000000 0.0000000 4.3091493 -0.0000000 -0.0000000 0.0000000 2.1901220 5 Rh 3.2412445 0.0000000 -0.0000000 0.0000000 0.4571981 -0.0497710 -0.0000000 0.0098592 3.3630373 6 Rh 3.2412445 0.0000000 -0.0000000 0.0000000 0.4571981 0.0497710 -0.0000000 -0.0098592 3.3630373 7 Rh 3.1878719 0.0129658 0.0357626 0.0849657 0.5351575 0.0579426 0.0699802 0.0456624 3.0680271 8 Rh 3.1878719 -0.0129658 0.0357626 -0.0849657 0.5351575 -0.0579426 0.0699802 -0.0456624 3.0680271 9 Rh 3.2412445 0.0000000 -0.0000000 0.0000000 0.4571981 -0.0497710 -0.0000000 0.0098592 3.3630373 10 Rh 3.2412445 0.0000000 -0.0000000 0.0000000 0.4571981 0.0497710 -0.0000000 -0.0098592 3.3630373 11 Rh 3.1878719 0.0129658 -0.0357626 0.0849657 0.5351575 -0.0579426 -0.0699802 -0.0456624 3.0680271 12 Rh 3.1878719 -0.0129658 -0.0357626 -0.0849657 0.5351575 0.0579426 -0.0699802 0.0456624 3.0680271 13 O -1.9140003 0.0000000 -0.0000000 0.0000000 -1.1749762 0.2441988 -0.0000000 0.2055792 -2.2500279 14 O -2.0266761 0.0000000 -0.0000000 0.0000000 -1.2374557 0.2427924 -0.0000000 0.2752746 -2.3368251 15 O -2.0266761 0.0000000 -0.0000000 0.0000000 -1.2374557 -0.2427924 -0.0000000 -0.2752746 -2.3368251 16 O -1.9140003 0.0000000 -0.0000000 0.0000000 -1.1749762 -0.2441988 -0.0000000 -0.2055792 -2.2500279 17 O -2.2430461 -0.1336757 0.1487696 0.0371607 -1.4559670 -0.0159975 0.1916696 0.0582426 -1.9654780 18 O -2.2430461 -0.1336757 0.1487696 0.0371607 -1.4559670 -0.0159975 0.1916696 0.0582426 -1.9654780 19 O -2.2430461 0.1336757 0.1487696 -0.0371607 -1.4559670 0.0159975 0.1916696 -0.0582426 -1.9654780 20 O -2.2430461 0.1336757 0.1487696 -0.0371607 -1.4559670 0.0159975 0.1916696 -0.0582426 -1.9654780 21 O -2.0266761 0.0000000 -0.0000000 0.0000000 -1.2374557 -0.2427924 -0.0000000 -0.2752746 -2.3368251 22 O -2.0266761 0.0000000 -0.0000000 0.0000000 -1.2374557 0.2427924 -0.0000000 0.2752746 -2.3368251 23 O -1.9140003 0.0000000 -0.0000000 0.0000000 -1.1749762 0.2441988 -0.0000000 0.2055792 -2.2500279 24 O -1.9140003 0.0000000 -0.0000000 0.0000000 -1.1749762 -0.2441988 -0.0000000 -0.2055792 -2.2500279 25 O -2.2430461 0.1336757 -0.1487696 -0.0371607 -1.4559670 -0.0159975 -0.1916696 0.0582426 -1.9654780 26 O -2.2430461 0.1336757 -0.1487696 -0.0371607 -1.4559670 -0.0159975 -0.1916696 0.0582426 -1.9654780 27 O -2.2430461 -0.1336757 -0.1487696 0.0371607 -1.4559670 0.0159975 -0.1916696 -0.0582426 -1.9654780 28 O -2.2430461 -0.1336757 -0.1487696 0.0371607 -1.4559670 0.0159975 -0.1916696 -0.0582426 -1.9654780 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1946 Number of blocks in projector: 1946 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 278 Use standard eigh solver. Tree of FC basis block matrices: - (1946, 1907), data: False |-- (278, 271), data: True |-- (278, 271), data: True |-- (278, 271), data: True |-- (328, 324), data: True |-- (336, 332), data: True |-- (448, 438), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 3.143 Solver_block: 200 / 480 - Time: 3.171 Solver_block: 300 / 480 - Time: 3.159 Solver_block: 400 / 480 - Time: 3.173 Solver_block: 480 / 480 - Time: 2.564 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 15.262 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1946 Number of blocks in projector: 1946 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: 448 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 336 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 328 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 278 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 278 Use standard eigh solver. Tree of FC basis block matrices: - (1946, 1907), data: False |-- (278, 271), data: True |-- (278, 271), data: True |-- (278, 271), data: True |-- (328, 324), data: True |-- (336, 332), data: True |-- (448, 438), 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 2026-01-09 00:38:39]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:38:40]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.181180319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.161272769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.358640940000000 Atomic positions (fractional): 1 Sr 0.00000000000000 0.50000000000000 0.14475274727835 87.620 2 Sr 0.00000000000000 0.00000000000000 0.46408678638592 87.620 3 Sr 0.50000000000000 0.50000000000000 0.53591321361408 87.620 4 Sr 0.50000000000000 0.00000000000000 0.85524725272165 87.620 5 Rh 0.00000000000000 0.74392884253326 0.50175331129769 102.906 6 Rh 0.00000000000000 0.25607115746674 0.50175331129769 102.906 7 Rh 0.75000000000000 0.75000000000000 0.00000000000000 102.906 8 Rh 0.75000000000000 0.25000000000000 0.00000000000000 102.906 9 Rh 0.50000000000000 0.75607115746674 0.49824668870231 102.906 10 Rh 0.50000000000000 0.24392884253326 0.49824668870231 102.906 11 Rh 0.25000000000000 0.25000000000000 0.00000000000000 102.906 12 Rh 0.25000000000000 0.75000000000000 0.00000000000000 102.906 13 O 0.00000000000000 0.16514863444843 0.17044582644457 15.999 14 O 0.00000000000000 0.65845956373387 0.83601521904590 15.999 15 O 0.00000000000000 0.34154043626613 0.83601521904590 15.999 16 O 0.00000000000000 0.83485136555157 0.17044582644457 15.999 17 O 0.75471417309926 0.15724622711704 0.66602880110806 15.999 18 O 0.74528582690074 0.34275377288296 0.33397119889194 15.999 19 O 0.74528582690074 0.65724622711704 0.33397119889194 15.999 20 O 0.75471417309926 0.84275377288296 0.66602880110806 15.999 21 O 0.50000000000000 0.15845956373387 0.16398478095410 15.999 22 O 0.50000000000000 0.84154043626613 0.16398478095410 15.999 23 O 0.50000000000000 0.33485136555157 0.82955417355543 15.999 24 O 0.50000000000000 0.66514863444843 0.82955417355543 15.999 25 O 0.24528582690074 0.15724622711704 0.66602880110806 15.999 26 O 0.25471417309926 0.34275377288296 0.33397119889194 15.999 27 O 0.25471417309926 0.65724622711704 0.33397119889194 15.999 28 O 0.24528582690074 0.84275377288296 0.66602880110806 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.362360639999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.161272769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.717281880000000 Atomic positions (fractional): 1 Sr 0.00000000000000 0.50000000000000 0.07237637363917 87.620 > 1 2 Sr 0.50000000000000 0.50000000000000 0.07237637363917 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.57237637363918 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.57237637363918 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.23204339319296 87.620 > 5 6 Sr 0.50000000000000 0.00000000000000 0.23204339319296 87.620 > 5 7 Sr 0.00000000000000 0.00000000000000 0.73204339319296 87.620 > 5 8 Sr 0.50000000000000 0.00000000000000 0.73204339319296 87.620 > 5 9 Sr 0.25000000000000 0.50000000000000 0.26795660680704 87.620 > 9 10 Sr 0.75000000000000 0.50000000000000 0.26795660680704 87.620 > 9 11 Sr 0.25000000000000 0.50000000000000 0.76795660680704 87.620 > 9 12 Sr 0.75000000000000 0.50000000000000 0.76795660680704 87.620 > 9 13 Sr 0.25000000000000 0.00000000000000 0.42762362636083 87.620 > 13 14 Sr 0.75000000000000 0.00000000000000 0.42762362636083 87.620 > 13 15 Sr 0.25000000000000 0.00000000000000 0.92762362636083 87.620 > 13 16 Sr 0.75000000000000 0.00000000000000 0.92762362636083 87.620 > 13 17 Rh 0.00000000000000 0.74392884253326 0.25087665564885 102.906 > 17 18 Rh 0.50000000000000 0.74392884253326 0.25087665564885 102.906 > 17 19 Rh 0.00000000000000 0.74392884253326 0.75087665564885 102.906 > 17 20 Rh 0.50000000000000 0.74392884253326 0.75087665564885 102.906 > 17 21 Rh 0.00000000000000 0.25607115746674 0.25087665564885 102.906 > 21 22 Rh 0.50000000000000 0.25607115746674 0.25087665564885 102.906 > 21 23 Rh 0.00000000000000 0.25607115746674 0.75087665564885 102.906 > 21 24 Rh 0.50000000000000 0.25607115746674 0.75087665564885 102.906 > 21 25 Rh 0.37500000000000 0.75000000000000 0.00000000000000 102.906 > 25 26 Rh 0.87500000000000 0.75000000000000 0.00000000000000 102.906 > 25 27 Rh 0.37500000000000 0.75000000000000 0.50000000000000 102.906 > 25 28 Rh 0.87500000000000 0.75000000000000 0.50000000000000 102.906 > 25 29 Rh 0.37500000000000 0.25000000000000 0.00000000000000 102.906 > 29 30 Rh 0.87500000000000 0.25000000000000 0.00000000000000 102.906 > 29 31 Rh 0.37500000000000 0.25000000000000 0.50000000000000 102.906 > 29 32 Rh 0.87500000000000 0.25000000000000 0.50000000000000 102.906 > 29 33 Rh 0.25000000000000 0.75607115746674 0.24912334435115 102.906 > 33 34 Rh 0.75000000000000 0.75607115746674 0.24912334435115 102.906 > 33 35 Rh 0.25000000000000 0.75607115746674 0.74912334435115 102.906 > 33 36 Rh 0.75000000000000 0.75607115746674 0.74912334435115 102.906 > 33 37 Rh 0.25000000000000 0.24392884253326 0.24912334435115 102.906 > 37 38 Rh 0.75000000000000 0.24392884253326 0.24912334435115 102.906 > 37 39 Rh 0.25000000000000 0.24392884253326 0.74912334435115 102.906 > 37 40 Rh 0.75000000000000 0.24392884253326 0.74912334435115 102.906 > 37 41 Rh 0.12500000000000 0.25000000000000 0.00000000000000 102.906 > 41 42 Rh 0.62500000000000 0.25000000000000 0.00000000000000 102.906 > 41 43 Rh 0.12500000000000 0.25000000000000 0.50000000000000 102.906 > 41 44 Rh 0.62500000000000 0.25000000000000 0.50000000000000 102.906 > 41 45 Rh 0.12500000000000 0.75000000000000 0.00000000000000 102.906 > 45 46 Rh 0.62500000000000 0.75000000000000 0.00000000000000 102.906 > 45 47 Rh 0.12500000000000 0.75000000000000 0.50000000000000 102.906 > 45 48 Rh 0.62500000000000 0.75000000000000 0.50000000000000 102.906 > 45 49 O 0.00000000000000 0.16514863444843 0.08522291322228 15.999 > 49 50 O 0.50000000000000 0.16514863444843 0.08522291322228 15.999 > 49 51 O 0.00000000000000 0.16514863444843 0.58522291322228 15.999 > 49 52 O 0.50000000000000 0.16514863444843 0.58522291322228 15.999 > 49 53 O 0.00000000000000 0.65845956373387 0.41800760952295 15.999 > 53 54 O 0.50000000000000 0.65845956373387 0.41800760952295 15.999 > 53 55 O 0.00000000000000 0.65845956373387 0.91800760952295 15.999 > 53 56 O 0.50000000000000 0.65845956373387 0.91800760952295 15.999 > 53 57 O 0.00000000000000 0.34154043626613 0.41800760952295 15.999 > 57 58 O 0.50000000000000 0.34154043626613 0.41800760952295 15.999 > 57 59 O 0.00000000000000 0.34154043626613 0.91800760952295 15.999 > 57 60 O 0.50000000000000 0.34154043626613 0.91800760952295 15.999 > 57 61 O 0.00000000000000 0.83485136555157 0.08522291322228 15.999 > 61 62 O 0.50000000000000 0.83485136555157 0.08522291322228 15.999 > 61 63 O 0.00000000000000 0.83485136555157 0.58522291322228 15.999 > 61 64 O 0.50000000000000 0.83485136555157 0.58522291322228 15.999 > 61 65 O 0.37735708654963 0.15724622711704 0.33301440055403 15.999 > 65 66 O 0.87735708654963 0.15724622711704 0.33301440055403 15.999 > 65 67 O 0.37735708654963 0.15724622711704 0.83301440055403 15.999 > 65 68 O 0.87735708654963 0.15724622711704 0.83301440055403 15.999 > 65 69 O 0.37264291345037 0.34275377288296 0.16698559944597 15.999 > 69 70 O 0.87264291345037 0.34275377288296 0.16698559944597 15.999 > 69 71 O 0.37264291345037 0.34275377288296 0.66698559944597 15.999 > 69 72 O 0.87264291345037 0.34275377288296 0.66698559944597 15.999 > 69 73 O 0.37264291345037 0.65724622711704 0.16698559944597 15.999 > 73 74 O 0.87264291345037 0.65724622711704 0.16698559944597 15.999 > 73 75 O 0.37264291345037 0.65724622711704 0.66698559944597 15.999 > 73 76 O 0.87264291345037 0.65724622711704 0.66698559944597 15.999 > 73 77 O 0.37735708654963 0.84275377288296 0.33301440055403 15.999 > 77 78 O 0.87735708654963 0.84275377288296 0.33301440055403 15.999 > 77 79 O 0.37735708654963 0.84275377288296 0.83301440055403 15.999 > 77 80 O 0.87735708654963 0.84275377288296 0.83301440055403 15.999 > 77 81 O 0.25000000000000 0.15845956373387 0.08199239047705 15.999 > 81 82 O 0.75000000000000 0.15845956373387 0.08199239047705 15.999 > 81 83 O 0.25000000000000 0.15845956373387 0.58199239047705 15.999 > 81 84 O 0.75000000000000 0.15845956373387 0.58199239047705 15.999 > 81 85 O 0.25000000000000 0.84154043626613 0.08199239047705 15.999 > 85 86 O 0.75000000000000 0.84154043626613 0.08199239047705 15.999 > 85 87 O 0.25000000000000 0.84154043626613 0.58199239047705 15.999 > 85 88 O 0.75000000000000 0.84154043626613 0.58199239047705 15.999 > 85 89 O 0.25000000000000 0.33485136555157 0.41477708677772 15.999 > 89 90 O 0.75000000000000 0.33485136555157 0.41477708677772 15.999 > 89 91 O 0.25000000000000 0.33485136555157 0.91477708677772 15.999 > 89 92 O 0.75000000000000 0.33485136555157 0.91477708677772 15.999 > 89 93 O 0.25000000000000 0.66514863444843 0.41477708677772 15.999 > 93 94 O 0.75000000000000 0.66514863444843 0.41477708677772 15.999 > 93 95 O 0.25000000000000 0.66514863444843 0.91477708677772 15.999 > 93 96 O 0.75000000000000 0.66514863444843 0.91477708677772 15.999 > 93 97 O 0.12264291345037 0.15724622711704 0.33301440055403 15.999 > 97 98 O 0.62264291345037 0.15724622711704 0.33301440055403 15.999 > 97 99 O 0.12264291345037 0.15724622711704 0.83301440055403 15.999 > 97 100 O 0.62264291345037 0.15724622711704 0.83301440055403 15.999 > 97 101 O 0.12735708654963 0.34275377288296 0.16698559944597 15.999 > 101 102 O 0.62735708654963 0.34275377288296 0.16698559944597 15.999 > 101 103 O 0.12735708654963 0.34275377288296 0.66698559944597 15.999 > 101 104 O 0.62735708654963 0.34275377288296 0.66698559944597 15.999 > 101 105 O 0.12735708654963 0.65724622711704 0.16698559944597 15.999 > 105 106 O 0.62735708654963 0.65724622711704 0.16698559944597 15.999 > 105 107 O 0.12735708654963 0.65724622711704 0.66698559944597 15.999 > 105 108 O 0.62735708654963 0.65724622711704 0.66698559944597 15.999 > 105 109 O 0.12264291345037 0.84275377288296 0.33301440055403 15.999 > 109 110 O 0.62264291345037 0.84275377288296 0.33301440055403 15.999 > 109 111 O 0.12264291345037 0.84275377288296 0.83301440055403 15.999 > 109 112 O 0.62264291345037 0.84275377288296 0.83301440055403 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.9472957 0.0000000 0.0000000 0.0000000 4.4313769 0.0000000 0.0000000 0.0000000 7.9375889 -------------------------- Born effective charges -------------------------- 1 Sr 2.0594472 0.0000000 -0.0000000 0.0000000 4.3091493 -0.0000000 -0.0000000 0.0000000 2.1901220 2 Sr 1.9358572 0.0000000 -0.0000000 0.0000000 4.3548711 -0.0000000 -0.0000000 0.0000000 1.9833674 3 Sr 1.9358572 0.0000000 -0.0000000 0.0000000 4.3548711 -0.0000000 -0.0000000 0.0000000 1.9833674 4 Sr 2.0594472 0.0000000 -0.0000000 0.0000000 4.3091493 -0.0000000 -0.0000000 0.0000000 2.1901220 5 Rh 3.2412445 0.0000000 -0.0000000 0.0000000 0.4571981 -0.0497710 -0.0000000 0.0098592 3.3630373 6 Rh 3.2412445 0.0000000 -0.0000000 0.0000000 0.4571981 0.0497710 -0.0000000 -0.0098592 3.3630373 7 Rh 3.1878719 0.0129658 0.0357626 0.0849657 0.5351575 0.0579426 0.0699802 0.0456624 3.0680271 8 Rh 3.1878719 -0.0129658 0.0357626 -0.0849657 0.5351575 -0.0579426 0.0699802 -0.0456624 3.0680271 9 Rh 3.2412445 0.0000000 -0.0000000 0.0000000 0.4571981 -0.0497710 -0.0000000 0.0098592 3.3630373 10 Rh 3.2412445 0.0000000 -0.0000000 0.0000000 0.4571981 0.0497710 -0.0000000 -0.0098592 3.3630373 11 Rh 3.1878719 0.0129658 -0.0357626 0.0849657 0.5351575 -0.0579426 -0.0699802 -0.0456624 3.0680271 12 Rh 3.1878719 -0.0129658 -0.0357626 -0.0849657 0.5351575 0.0579426 -0.0699802 0.0456624 3.0680271 13 O -1.9140003 0.0000000 -0.0000000 0.0000000 -1.1749762 0.2441988 -0.0000000 0.2055792 -2.2500279 14 O -2.0266761 0.0000000 -0.0000000 0.0000000 -1.2374557 0.2427924 -0.0000000 0.2752746 -2.3368251 15 O -2.0266761 0.0000000 -0.0000000 0.0000000 -1.2374557 -0.2427924 -0.0000000 -0.2752746 -2.3368251 16 O -1.9140003 0.0000000 -0.0000000 0.0000000 -1.1749762 -0.2441988 -0.0000000 -0.2055792 -2.2500279 17 O -2.2430461 -0.1336757 0.1487696 0.0371607 -1.4559670 -0.0159975 0.1916696 0.0582426 -1.9654780 18 O -2.2430461 -0.1336757 0.1487696 0.0371607 -1.4559670 -0.0159975 0.1916696 0.0582426 -1.9654780 19 O -2.2430461 0.1336757 0.1487696 -0.0371607 -1.4559670 0.0159975 0.1916696 -0.0582426 -1.9654780 20 O -2.2430461 0.1336757 0.1487696 -0.0371607 -1.4559670 0.0159975 0.1916696 -0.0582426 -1.9654780 21 O -2.0266761 0.0000000 -0.0000000 0.0000000 -1.2374557 -0.2427924 -0.0000000 -0.2752746 -2.3368251 22 O -2.0266761 0.0000000 -0.0000000 0.0000000 -1.2374557 0.2427924 -0.0000000 0.2752746 -2.3368251 23 O -1.9140003 0.0000000 -0.0000000 0.0000000 -1.1749762 0.2441988 -0.0000000 0.2055792 -2.2500279 24 O -1.9140003 0.0000000 -0.0000000 0.0000000 -1.1749762 -0.2441988 -0.0000000 -0.2055792 -2.2500279 25 O -2.2430461 0.1336757 -0.1487696 -0.0371607 -1.4559670 -0.0159975 -0.1916696 0.0582426 -1.9654780 26 O -2.2430461 0.1336757 -0.1487696 -0.0371607 -1.4559670 -0.0159975 -0.1916696 0.0582426 -1.9654780 27 O -2.2430461 -0.1336757 -0.1487696 0.0371607 -1.4559670 0.0159975 -0.1916696 -0.0582426 -1.9654780 28 O -2.2430461 -0.1336757 -0.1487696 0.0371607 -1.4559670 0.0159975 -0.1916696 -0.0582426 -1.9654780 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000011 (yzy) 0.00000011 (yzy) 0.00000011 (yyz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:39:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:39:05]------------------------- 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 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pmmn (59) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.181180319999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.161272769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 5.358640940000000 Atomic positions (fractional): 1 Sr 0.00000000000000 0.50000000000000 0.14475274727835 87.620 2 Sr 0.00000000000000 0.00000000000000 0.46408678638592 87.620 3 Sr 0.50000000000000 0.50000000000000 0.53591321361408 87.620 4 Sr 0.50000000000000 0.00000000000000 0.85524725272165 87.620 5 Rh 0.00000000000000 0.74392884253326 0.50175331129769 102.906 6 Rh 0.00000000000000 0.25607115746674 0.50175331129769 102.906 7 Rh 0.75000000000000 0.75000000000000 0.00000000000000 102.906 8 Rh 0.75000000000000 0.25000000000000 0.00000000000000 102.906 9 Rh 0.50000000000000 0.75607115746674 0.49824668870231 102.906 10 Rh 0.50000000000000 0.24392884253326 0.49824668870231 102.906 11 Rh 0.25000000000000 0.25000000000000 0.00000000000000 102.906 12 Rh 0.25000000000000 0.75000000000000 0.00000000000000 102.906 13 O 0.00000000000000 0.16514863444843 0.17044582644457 15.999 14 O 0.00000000000000 0.65845956373387 0.83601521904590 15.999 15 O 0.00000000000000 0.34154043626613 0.83601521904590 15.999 16 O 0.00000000000000 0.83485136555157 0.17044582644457 15.999 17 O 0.75471417309926 0.15724622711704 0.66602880110806 15.999 18 O 0.74528582690074 0.34275377288296 0.33397119889194 15.999 19 O 0.74528582690074 0.65724622711704 0.33397119889194 15.999 20 O 0.75471417309926 0.84275377288296 0.66602880110806 15.999 21 O 0.50000000000000 0.15845956373387 0.16398478095410 15.999 22 O 0.50000000000000 0.84154043626613 0.16398478095410 15.999 23 O 0.50000000000000 0.33485136555157 0.82955417355543 15.999 24 O 0.50000000000000 0.66514863444843 0.82955417355543 15.999 25 O 0.24528582690074 0.15724622711704 0.66602880110806 15.999 26 O 0.25471417309926 0.34275377288296 0.33397119889194 15.999 27 O 0.25471417309926 0.65724622711704 0.33397119889194 15.999 28 O 0.24528582690074 0.84275377288296 0.66602880110806 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.362360639999999 0.000000000000000 0.000000000000000 b 0.000000000000000 11.161272769999998 0.000000000000000 c 0.000000000000000 0.000000000000000 10.717281880000000 Atomic positions (fractional): 1 Sr 0.00000000000000 0.50000000000000 0.07237637363917 87.620 > 1 2 Sr 0.50000000000000 0.50000000000000 0.07237637363917 87.620 > 1 3 Sr 0.00000000000000 0.50000000000000 0.57237637363918 87.620 > 1 4 Sr 0.50000000000000 0.50000000000000 0.57237637363918 87.620 > 1 5 Sr 0.00000000000000 0.00000000000000 0.23204339319296 87.620 > 5 6 Sr 0.50000000000000 0.00000000000000 0.23204339319296 87.620 > 5 7 Sr 0.00000000000000 0.00000000000000 0.73204339319296 87.620 > 5 8 Sr 0.50000000000000 0.00000000000000 0.73204339319296 87.620 > 5 9 Sr 0.25000000000000 0.50000000000000 0.26795660680704 87.620 > 9 10 Sr 0.75000000000000 0.50000000000000 0.26795660680704 87.620 > 9 11 Sr 0.25000000000000 0.50000000000000 0.76795660680704 87.620 > 9 12 Sr 0.75000000000000 0.50000000000000 0.76795660680704 87.620 > 9 13 Sr 0.25000000000000 0.00000000000000 0.42762362636083 87.620 > 13 14 Sr 0.75000000000000 0.00000000000000 0.42762362636083 87.620 > 13 15 Sr 0.25000000000000 0.00000000000000 0.92762362636083 87.620 > 13 16 Sr 0.75000000000000 0.00000000000000 0.92762362636083 87.620 > 13 17 Rh 0.00000000000000 0.74392884253326 0.25087665564885 102.906 > 17 18 Rh 0.50000000000000 0.74392884253326 0.25087665564885 102.906 > 17 19 Rh 0.00000000000000 0.74392884253326 0.75087665564885 102.906 > 17 20 Rh 0.50000000000000 0.74392884253326 0.75087665564885 102.906 > 17 21 Rh 0.00000000000000 0.25607115746674 0.25087665564885 102.906 > 21 22 Rh 0.50000000000000 0.25607115746674 0.25087665564885 102.906 > 21 23 Rh 0.00000000000000 0.25607115746674 0.75087665564885 102.906 > 21 24 Rh 0.50000000000000 0.25607115746674 0.75087665564885 102.906 > 21 25 Rh 0.37500000000000 0.75000000000000 0.00000000000000 102.906 > 25 26 Rh 0.87500000000000 0.75000000000000 0.00000000000000 102.906 > 25 27 Rh 0.37500000000000 0.75000000000000 0.50000000000000 102.906 > 25 28 Rh 0.87500000000000 0.75000000000000 0.50000000000000 102.906 > 25 29 Rh 0.37500000000000 0.25000000000000 0.00000000000000 102.906 > 29 30 Rh 0.87500000000000 0.25000000000000 0.00000000000000 102.906 > 29 31 Rh 0.37500000000000 0.25000000000000 0.50000000000000 102.906 > 29 32 Rh 0.87500000000000 0.25000000000000 0.50000000000000 102.906 > 29 33 Rh 0.25000000000000 0.75607115746674 0.24912334435115 102.906 > 33 34 Rh 0.75000000000000 0.75607115746674 0.24912334435115 102.906 > 33 35 Rh 0.25000000000000 0.75607115746674 0.74912334435115 102.906 > 33 36 Rh 0.75000000000000 0.75607115746674 0.74912334435115 102.906 > 33 37 Rh 0.25000000000000 0.24392884253326 0.24912334435115 102.906 > 37 38 Rh 0.75000000000000 0.24392884253326 0.24912334435115 102.906 > 37 39 Rh 0.25000000000000 0.24392884253326 0.74912334435115 102.906 > 37 40 Rh 0.75000000000000 0.24392884253326 0.74912334435115 102.906 > 37 41 Rh 0.12500000000000 0.25000000000000 0.00000000000000 102.906 > 41 42 Rh 0.62500000000000 0.25000000000000 0.00000000000000 102.906 > 41 43 Rh 0.12500000000000 0.25000000000000 0.50000000000000 102.906 > 41 44 Rh 0.62500000000000 0.25000000000000 0.50000000000000 102.906 > 41 45 Rh 0.12500000000000 0.75000000000000 0.00000000000000 102.906 > 45 46 Rh 0.62500000000000 0.75000000000000 0.00000000000000 102.906 > 45 47 Rh 0.12500000000000 0.75000000000000 0.50000000000000 102.906 > 45 48 Rh 0.62500000000000 0.75000000000000 0.50000000000000 102.906 > 45 49 O 0.00000000000000 0.16514863444843 0.08522291322228 15.999 > 49 50 O 0.50000000000000 0.16514863444843 0.08522291322228 15.999 > 49 51 O 0.00000000000000 0.16514863444843 0.58522291322228 15.999 > 49 52 O 0.50000000000000 0.16514863444843 0.58522291322228 15.999 > 49 53 O 0.00000000000000 0.65845956373387 0.41800760952295 15.999 > 53 54 O 0.50000000000000 0.65845956373387 0.41800760952295 15.999 > 53 55 O 0.00000000000000 0.65845956373387 0.91800760952295 15.999 > 53 56 O 0.50000000000000 0.65845956373387 0.91800760952295 15.999 > 53 57 O 0.00000000000000 0.34154043626613 0.41800760952295 15.999 > 57 58 O 0.50000000000000 0.34154043626613 0.41800760952295 15.999 > 57 59 O 0.00000000000000 0.34154043626613 0.91800760952295 15.999 > 57 60 O 0.50000000000000 0.34154043626613 0.91800760952295 15.999 > 57 61 O 0.00000000000000 0.83485136555157 0.08522291322228 15.999 > 61 62 O 0.50000000000000 0.83485136555157 0.08522291322228 15.999 > 61 63 O 0.00000000000000 0.83485136555157 0.58522291322228 15.999 > 61 64 O 0.50000000000000 0.83485136555157 0.58522291322228 15.999 > 61 65 O 0.37735708654963 0.15724622711704 0.33301440055403 15.999 > 65 66 O 0.87735708654963 0.15724622711704 0.33301440055403 15.999 > 65 67 O 0.37735708654963 0.15724622711704 0.83301440055403 15.999 > 65 68 O 0.87735708654963 0.15724622711704 0.83301440055403 15.999 > 65 69 O 0.37264291345037 0.34275377288296 0.16698559944597 15.999 > 69 70 O 0.87264291345037 0.34275377288296 0.16698559944597 15.999 > 69 71 O 0.37264291345037 0.34275377288296 0.66698559944597 15.999 > 69 72 O 0.87264291345037 0.34275377288296 0.66698559944597 15.999 > 69 73 O 0.37264291345037 0.65724622711704 0.16698559944597 15.999 > 73 74 O 0.87264291345037 0.65724622711704 0.16698559944597 15.999 > 73 75 O 0.37264291345037 0.65724622711704 0.66698559944597 15.999 > 73 76 O 0.87264291345037 0.65724622711704 0.66698559944597 15.999 > 73 77 O 0.37735708654963 0.84275377288296 0.33301440055403 15.999 > 77 78 O 0.87735708654963 0.84275377288296 0.33301440055403 15.999 > 77 79 O 0.37735708654963 0.84275377288296 0.83301440055403 15.999 > 77 80 O 0.87735708654963 0.84275377288296 0.83301440055403 15.999 > 77 81 O 0.25000000000000 0.15845956373387 0.08199239047705 15.999 > 81 82 O 0.75000000000000 0.15845956373387 0.08199239047705 15.999 > 81 83 O 0.25000000000000 0.15845956373387 0.58199239047705 15.999 > 81 84 O 0.75000000000000 0.15845956373387 0.58199239047705 15.999 > 81 85 O 0.25000000000000 0.84154043626613 0.08199239047705 15.999 > 85 86 O 0.75000000000000 0.84154043626613 0.08199239047705 15.999 > 85 87 O 0.25000000000000 0.84154043626613 0.58199239047705 15.999 > 85 88 O 0.75000000000000 0.84154043626613 0.58199239047705 15.999 > 85 89 O 0.25000000000000 0.33485136555157 0.41477708677772 15.999 > 89 90 O 0.75000000000000 0.33485136555157 0.41477708677772 15.999 > 89 91 O 0.25000000000000 0.33485136555157 0.91477708677772 15.999 > 89 92 O 0.75000000000000 0.33485136555157 0.91477708677772 15.999 > 89 93 O 0.25000000000000 0.66514863444843 0.41477708677772 15.999 > 93 94 O 0.75000000000000 0.66514863444843 0.41477708677772 15.999 > 93 95 O 0.25000000000000 0.66514863444843 0.91477708677772 15.999 > 93 96 O 0.75000000000000 0.66514863444843 0.91477708677772 15.999 > 93 97 O 0.12264291345037 0.15724622711704 0.33301440055403 15.999 > 97 98 O 0.62264291345037 0.15724622711704 0.33301440055403 15.999 > 97 99 O 0.12264291345037 0.15724622711704 0.83301440055403 15.999 > 97 100 O 0.62264291345037 0.15724622711704 0.83301440055403 15.999 > 97 101 O 0.12735708654963 0.34275377288296 0.16698559944597 15.999 > 101 102 O 0.62735708654963 0.34275377288296 0.16698559944597 15.999 > 101 103 O 0.12735708654963 0.34275377288296 0.66698559944597 15.999 > 101 104 O 0.62735708654963 0.34275377288296 0.66698559944597 15.999 > 101 105 O 0.12735708654963 0.65724622711704 0.16698559944597 15.999 > 105 106 O 0.62735708654963 0.65724622711704 0.16698559944597 15.999 > 105 107 O 0.12735708654963 0.65724622711704 0.66698559944597 15.999 > 105 108 O 0.62735708654963 0.65724622711704 0.66698559944597 15.999 > 105 109 O 0.12264291345037 0.84275377288296 0.33301440055403 15.999 > 109 110 O 0.62264291345037 0.84275377288296 0.33301440055403 15.999 > 109 111 O 0.12264291345037 0.84275377288296 0.83301440055403 15.999 > 109 112 O 0.62264291345037 0.84275377288296 0.83301440055403 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.9472957 0.0000000 0.0000000 0.0000000 4.4313769 0.0000000 0.0000000 0.0000000 7.9375889 -------------------------- Born effective charges -------------------------- 1 Sr 2.0594472 0.0000000 -0.0000000 0.0000000 4.3091493 -0.0000000 -0.0000000 0.0000000 2.1901220 2 Sr 1.9358572 0.0000000 -0.0000000 0.0000000 4.3548711 -0.0000000 -0.0000000 0.0000000 1.9833674 3 Sr 1.9358572 0.0000000 -0.0000000 0.0000000 4.3548711 -0.0000000 -0.0000000 0.0000000 1.9833674 4 Sr 2.0594472 0.0000000 -0.0000000 0.0000000 4.3091493 -0.0000000 -0.0000000 0.0000000 2.1901220 5 Rh 3.2412445 0.0000000 -0.0000000 0.0000000 0.4571981 -0.0497710 -0.0000000 0.0098592 3.3630373 6 Rh 3.2412445 0.0000000 -0.0000000 0.0000000 0.4571981 0.0497710 -0.0000000 -0.0098592 3.3630373 7 Rh 3.1878719 0.0129658 0.0357626 0.0849657 0.5351575 0.0579426 0.0699802 0.0456624 3.0680271 8 Rh 3.1878719 -0.0129658 0.0357626 -0.0849657 0.5351575 -0.0579426 0.0699802 -0.0456624 3.0680271 9 Rh 3.2412445 0.0000000 -0.0000000 0.0000000 0.4571981 -0.0497710 -0.0000000 0.0098592 3.3630373 10 Rh 3.2412445 0.0000000 -0.0000000 0.0000000 0.4571981 0.0497710 -0.0000000 -0.0098592 3.3630373 11 Rh 3.1878719 0.0129658 -0.0357626 0.0849657 0.5351575 -0.0579426 -0.0699802 -0.0456624 3.0680271 12 Rh 3.1878719 -0.0129658 -0.0357626 -0.0849657 0.5351575 0.0579426 -0.0699802 0.0456624 3.0680271 13 O -1.9140003 0.0000000 -0.0000000 0.0000000 -1.1749762 0.2441988 -0.0000000 0.2055792 -2.2500279 14 O -2.0266761 0.0000000 -0.0000000 0.0000000 -1.2374557 0.2427924 -0.0000000 0.2752746 -2.3368251 15 O -2.0266761 0.0000000 -0.0000000 0.0000000 -1.2374557 -0.2427924 -0.0000000 -0.2752746 -2.3368251 16 O -1.9140003 0.0000000 -0.0000000 0.0000000 -1.1749762 -0.2441988 -0.0000000 -0.2055792 -2.2500279 17 O -2.2430461 -0.1336757 0.1487696 0.0371607 -1.4559670 -0.0159975 0.1916696 0.0582426 -1.9654780 18 O -2.2430461 -0.1336757 0.1487696 0.0371607 -1.4559670 -0.0159975 0.1916696 0.0582426 -1.9654780 19 O -2.2430461 0.1336757 0.1487696 -0.0371607 -1.4559670 0.0159975 0.1916696 -0.0582426 -1.9654780 20 O -2.2430461 0.1336757 0.1487696 -0.0371607 -1.4559670 0.0159975 0.1916696 -0.0582426 -1.9654780 21 O -2.0266761 0.0000000 -0.0000000 0.0000000 -1.2374557 -0.2427924 -0.0000000 -0.2752746 -2.3368251 22 O -2.0266761 0.0000000 -0.0000000 0.0000000 -1.2374557 0.2427924 -0.0000000 0.2752746 -2.3368251 23 O -1.9140003 0.0000000 -0.0000000 0.0000000 -1.1749762 0.2441988 -0.0000000 0.2055792 -2.2500279 24 O -1.9140003 0.0000000 -0.0000000 0.0000000 -1.1749762 -0.2441988 -0.0000000 -0.2055792 -2.2500279 25 O -2.2430461 0.1336757 -0.1487696 -0.0371607 -1.4559670 -0.0159975 -0.1916696 0.0582426 -1.9654780 26 O -2.2430461 0.1336757 -0.1487696 -0.0371607 -1.4559670 -0.0159975 -0.1916696 0.0582426 -1.9654780 27 O -2.2430461 -0.1336757 -0.1487696 0.0371607 -1.4559670 0.0159975 -0.1916696 -0.0582426 -1.9654780 28 O -2.2430461 -0.1336757 -0.1487696 0.0371607 -1.4559670 0.0159975 -0.1916696 -0.0582426 -1.9654780 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000011 (yzy) 0.00000011 (yzy) 0.00000011 (yyz) 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 ... [ 8 4 9 ] 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: 0.58, Number of G-points: 289, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 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 1.222 ( 0.000 0.000 0.000) 0.000 1.782 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.849 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.764 ( 0.000 0.000 0.000) 0.000 3.856 ( 0.000 0.000 0.000) 0.000 3.969 ( 0.000 0.000 0.000) 0.000 4.143 ( 0.000 0.000 0.000) 0.000 4.174 ( 0.000 0.000 0.000) 0.000 4.247 ( 0.000 0.000 0.000) 0.000 4.424 ( 0.000 0.000 0.000) 0.000 4.663 ( 0.000 0.000 0.000) 0.000 5.098 ( 0.000 0.000 0.000) 0.000 5.562 ( 0.000 0.000 0.000) 0.000 5.662 ( 0.000 0.000 0.000) 0.000 5.738 ( 0.000 0.000 0.000) 0.000 6.052 ( 0.000 0.000 0.000) 0.000 6.616 ( 0.000 0.000 0.000) 0.000 6.690 ( 0.000 0.000 0.000) 0.000 6.847 ( 0.000 0.000 0.000) 0.000 6.866 ( 0.000 0.000 0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.232 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 9.110 ( 0.000 0.000 0.000) 0.000 9.143 ( 0.000 0.000 0.000) 0.000 9.484 ( 0.000 0.000 0.000) 0.000 9.503 ( 0.000 0.000 0.000) 0.000 10.226 ( 0.000 0.000 0.000) 0.000 10.258 ( 0.000 0.000 0.000) 0.000 11.870 ( 0.000 0.000 0.000) 0.000 12.112 ( 0.000 0.000 0.000) 0.000 12.338 ( 0.000 0.000 0.000) 0.000 12.553 ( 0.000 0.000 0.000) 0.000 12.642 ( 0.000 0.000 0.000) 0.000 12.724 ( 0.000 0.000 0.000) 0.000 12.808 ( 0.000 0.000 0.000) 0.000 13.046 ( 0.000 0.000 0.000) 0.000 13.088 ( 0.000 0.000 0.000) 0.000 13.148 ( 0.000 0.000 0.000) 0.000 13.196 ( 0.000 0.000 0.000) 0.000 13.241 ( 0.000 0.000 0.000) 0.000 13.466 ( 0.000 0.000 0.000) 0.000 13.472 ( 0.000 0.000 0.000) 0.000 13.597 ( 0.000 0.000 0.000) 0.000 13.905 ( 0.000 0.000 0.000) 0.000 13.930 ( 0.000 0.000 0.000) 0.000 14.002 ( 0.000 0.000 0.000) 0.000 14.080 ( 0.000 0.000 0.000) 0.000 14.144 ( 0.000 0.000 0.000) 0.000 14.198 ( 0.000 0.000 0.000) 0.000 14.203 ( 0.000 0.000 0.000) 0.000 14.253 ( 0.000 0.000 0.000) 0.000 14.347 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 14.531 ( 0.000 0.000 0.000) 0.000 14.969 ( 0.000 0.000 0.000) 0.000 15.052 ( 0.000 0.000 0.000) 0.000 15.074 ( 0.000 0.000 0.000) 0.000 15.201 ( 0.000 0.000 0.000) 0.000 15.273 ( 0.000 0.000 0.000) 0.000 15.301 ( 0.000 0.000 0.000) 0.000 15.311 ( 0.000 0.000 0.000) 0.000 15.580 ( 0.000 0.000 0.000) 0.000 15.628 ( 0.000 0.000 0.000) 0.000 15.671 ( 0.000 0.000 0.000) 0.000 16.017 ( 0.000 0.000 0.000) 0.000 16.125 ( 0.000 0.000 0.000) 0.000 16.173 ( 0.000 0.000 0.000) 0.000 16.333 ( 0.000 0.000 0.000) 0.000 16.442 ( 0.000 0.000 0.000) 0.000 16.604 ( 0.000 0.000 0.000) 0.000 16.633 ( 0.000 0.000 0.000) 0.000 16.736 ( 0.000 0.000 0.000) 0.000 16.972 ( 0.000 0.000 0.000) 0.000 16.999 ( 0.000 0.000 0.000) 0.000 17.671 ( 0.000 0.000 0.000) 0.000 17.898 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.193 ( 15.427 0.000 0.000) 15.427 0.627 ( 31.687 0.000 0.000) 31.687 1.239 ( 59.230 0.000 0.000) 59.230 1.780 ( 46.121 0.000 0.000) 46.121 1.918 ( 13.256 0.000 0.000) 13.256 2.628 ( 6.314 0.000 0.000) 6.314 3.080 ( -3.656 0.000 0.000) 3.656 3.201 ( 7.548 0.000 0.000) 7.548 3.468 ( -5.799 0.000 0.000) 5.799 3.782 ( 1.980 0.000 0.000) 1.980 3.855 ( -23.183 0.000 0.000) 23.183 3.872 ( 0.865 0.000 0.000) 0.865 3.946 ( -1.744 0.000 0.000) 1.744 4.140 ( -3.247 0.000 0.000) 3.247 4.230 ( -1.340 0.000 0.000) 1.340 4.434 ( 0.988 0.000 0.000) 0.988 4.781 ( 6.405 0.000 0.000) 6.405 4.970 ( -11.075 0.000 0.000) 11.075 5.528 ( -3.136 0.000 0.000) 3.136 5.642 ( -1.701 0.000 0.000) 1.701 5.799 ( 4.019 0.000 0.000) 4.019 6.004 ( -4.416 0.000 0.000) 4.416 6.287 ( -32.395 0.000 0.000) 32.395 6.492 ( -35.306 0.000 0.000) 35.306 6.579 ( -3.485 0.000 0.000) 3.485 6.879 ( -8.169 0.000 0.000) 8.169 7.005 ( 2.931 0.000 0.000) 2.931 7.012 ( 5.842 0.000 0.000) 5.842 7.932 ( 29.344 0.000 0.000) 29.344 7.939 ( 31.266 0.000 0.000) 31.266 8.708 ( -34.023 0.000 0.000) 34.023 8.718 ( -34.965 0.000 0.000) 34.965 9.479 ( -6.813 0.000 0.000) 6.813 9.490 ( -5.323 0.000 0.000) 5.323 10.172 ( -5.262 0.000 0.000) 5.262 10.202 ( -5.420 0.000 0.000) 5.420 11.924 ( 5.284 0.000 0.000) 5.284 12.203 ( 4.960 0.000 0.000) 4.960 12.313 ( -2.176 0.000 0.000) 2.176 12.544 ( -0.776 0.000 0.000) 0.776 12.674 ( 1.121 0.000 0.000) 1.121 12.754 ( -5.128 0.000 0.000) 5.128 12.770 ( 2.225 0.000 0.000) 2.225 12.892 ( -5.995 0.000 0.000) 5.995 13.036 ( -4.985 0.000 0.000) 4.985 13.059 ( -11.551 0.000 0.000) 11.551 13.093 ( -1.641 0.000 0.000) 1.641 13.276 ( -14.984 0.000 0.000) 14.984 13.369 ( -8.396 0.000 0.000) 8.396 13.464 ( 14.680 0.000 0.000) 14.680 13.728 ( 11.029 0.000 0.000) 11.029 13.890 ( -6.138 0.000 0.000) 6.138 13.990 ( -9.501 0.000 0.000) 9.501 14.008 ( 6.208 0.000 0.000) 6.208 14.069 ( 5.321 0.000 0.000) 5.321 14.084 ( -3.107 0.000 0.000) 3.107 14.214 ( 8.916 0.000 0.000) 8.916 14.218 ( -1.178 0.000 0.000) 1.178 14.288 ( 3.419 0.000 0.000) 3.419 14.402 ( -0.725 0.000 0.000) 0.725 14.530 ( 6.291 0.000 0.000) 6.291 14.587 ( 3.730 0.000 0.000) 3.730 14.839 ( -2.758 0.000 0.000) 2.758 14.985 ( -6.428 0.000 0.000) 6.428 15.097 ( 3.323 0.000 0.000) 3.323 15.287 ( 7.419 0.000 0.000) 7.419 15.287 ( -0.144 0.000 0.000) 0.144 15.348 ( 3.159 0.000 0.000) 3.159 15.370 ( 6.358 0.000 0.000) 6.358 15.611 ( -0.767 0.000 0.000) 0.767 15.782 ( 12.804 0.000 0.000) 12.804 16.054 ( 2.794 0.000 0.000) 2.794 16.118 ( -3.658 0.000 0.000) 3.658 16.121 ( 0.166 0.000 0.000) 0.166 16.439 ( 8.571 0.000 0.000) 8.571 16.579 ( 12.145 0.000 0.000) 12.145 16.652 ( 1.726 0.000 0.000) 1.726 16.652 ( 4.839 0.000 0.000) 4.839 16.762 ( 2.523 0.000 0.000) 2.523 16.985 ( 1.366 0.000 0.000) 1.366 17.013 ( 2.044 0.000 0.000) 2.044 17.637 ( -3.245 0.000 0.000) 3.245 17.857 ( -3.830 0.000 0.000) 3.830 17.998 ( -2.990 0.000 0.000) 2.990 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 27.713 0.000 0.000) 27.713 1.291 ( 34.060 0.000 0.000) 34.060 2.302 ( 41.420 0.000 0.000) 41.420 2.306 ( 24.776 0.000 0.000) 24.776 2.740 ( 2.917 0.000 0.000) 2.917 2.822 ( 52.594 0.000 0.000) 52.594 2.998 ( -3.557 0.000 0.000) 3.557 3.319 ( -27.644 0.000 0.000) 27.644 3.394 ( 1.145 0.000 0.000) 1.145 3.441 ( 15.370 0.000 0.000) 15.370 3.851 ( 4.907 0.000 0.000) 4.907 3.874 ( 0.953 0.000 0.000) 0.953 3.948 ( 3.783 0.000 0.000) 3.783 4.050 ( -5.346 0.000 0.000) 5.346 4.206 ( -0.653 0.000 0.000) 0.653 4.464 ( 1.933 0.000 0.000) 1.933 4.708 ( -13.926 0.000 0.000) 13.926 4.827 ( -2.279 0.000 0.000) 2.279 5.450 ( -4.201 0.000 0.000) 4.201 5.506 ( -32.120 0.000 0.000) 32.120 5.650 ( -7.627 0.000 0.000) 7.627 5.666 ( -31.850 0.000 0.000) 31.850 5.897 ( -5.442 0.000 0.000) 5.442 5.926 ( -5.267 0.000 0.000) 5.267 6.486 ( -5.463 0.000 0.000) 5.463 6.669 ( -9.274 0.000 0.000) 9.274 7.219 ( 15.156 0.000 0.000) 15.156 7.232 ( 15.295 0.000 0.000) 15.295 7.851 ( -49.227 0.000 0.000) 49.227 7.865 ( -47.334 0.000 0.000) 47.334 8.511 ( 27.424 0.000 0.000) 27.424 8.539 ( 27.946 0.000 0.000) 27.946 9.188 ( -21.103 0.000 0.000) 21.103 9.223 ( -20.241 0.000 0.000) 20.241 10.020 ( -9.676 0.000 0.000) 9.676 10.046 ( -9.817 0.000 0.000) 9.817 12.077 ( 9.484 0.000 0.000) 9.484 12.269 ( -1.523 0.000 0.000) 1.523 12.354 ( 9.135 0.000 0.000) 9.135 12.536 ( 0.439 0.000 0.000) 0.439 12.592 ( -6.462 0.000 0.000) 6.462 12.619 ( -7.715 0.000 0.000) 7.715 12.731 ( -3.725 0.000 0.000) 3.725 12.802 ( -12.662 0.000 0.000) 12.662 12.892 ( -9.696 0.000 0.000) 9.696 12.957 ( 9.596 0.000 0.000) 9.596 12.976 ( -12.706 0.000 0.000) 12.706 13.160 ( -11.830 0.000 0.000) 11.830 13.211 ( 11.930 0.000 0.000) 11.930 13.740 ( -8.283 0.000 0.000) 8.283 13.745 ( -13.324 0.000 0.000) 13.324 13.752 ( 12.581 0.000 0.000) 12.581 13.982 ( 13.039 0.000 0.000) 13.039 14.060 ( 0.948 0.000 0.000) 0.948 14.109 ( -2.868 0.000 0.000) 2.868 14.115 ( 3.138 0.000 0.000) 3.138 14.246 ( 4.353 0.000 0.000) 4.353 14.278 ( -6.648 0.000 0.000) 6.648 14.370 ( 5.371 0.000 0.000) 5.371 14.387 ( 5.184 0.000 0.000) 5.184 14.629 ( 3.330 0.000 0.000) 3.330 14.644 ( 1.789 0.000 0.000) 1.789 14.805 ( -10.934 0.000 0.000) 10.934 14.973 ( 11.809 0.000 0.000) 11.809 15.204 ( -8.105 0.000 0.000) 8.105 15.222 ( 8.473 0.000 0.000) 8.473 15.411 ( 2.538 0.000 0.000) 2.538 15.471 ( 10.238 0.000 0.000) 10.238 15.535 ( 9.372 0.000 0.000) 9.372 15.620 ( 0.980 0.000 0.000) 0.980 15.989 ( 7.865 0.000 0.000) 7.865 16.050 ( -3.109 0.000 0.000) 3.109 16.063 ( -1.731 0.000 0.000) 1.731 16.170 ( 3.664 0.000 0.000) 3.664 16.628 ( 8.840 0.000 0.000) 8.840 16.695 ( 2.359 0.000 0.000) 2.359 16.791 ( 8.308 0.000 0.000) 8.308 16.813 ( 8.557 0.000 0.000) 8.557 16.840 ( 5.562 0.000 0.000) 5.562 17.031 ( 3.150 0.000 0.000) 3.150 17.119 ( 8.534 0.000 0.000) 8.534 17.549 ( -5.174 0.000 0.000) 5.174 17.760 ( -5.332 0.000 0.000) 5.332 17.908 ( -5.779 0.000 0.000) 5.779 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( 34.224 0.000 0.000) 34.224 1.991 ( 34.200 0.000 0.000) 34.200 2.667 ( -32.624 0.000 0.000) 32.624 2.726 ( 2.777 0.000 0.000) 2.777 2.746 ( -0.573 0.000 0.000) 0.573 2.904 ( 33.981 0.000 0.000) 33.981 2.960 ( -3.198 0.000 0.000) 3.198 3.524 ( 9.327 0.000 0.000) 9.327 3.601 ( 1.496 0.000 0.000) 1.496 3.879 ( 40.880 0.000 0.000) 40.880 3.893 ( -1.283 0.000 0.000) 1.283 3.911 ( -4.804 0.000 0.000) 4.804 4.012 ( 8.138 0.000 0.000) 8.138 4.219 ( 2.621 0.000 0.000) 2.621 4.364 ( 8.631 0.000 0.000) 8.631 4.511 ( 2.563 0.000 0.000) 2.563 4.527 ( 25.762 0.000 0.000) 25.762 4.571 ( -27.434 0.000 0.000) 27.434 4.930 ( -8.014 0.000 0.000) 8.014 4.958 ( -32.876 0.000 0.000) 32.876 5.363 ( -4.939 0.000 0.000) 4.939 5.640 ( 2.206 0.000 0.000) 2.206 5.809 ( -3.099 0.000 0.000) 3.099 5.883 ( -2.147 0.000 0.000) 2.147 6.337 ( -12.409 0.000 0.000) 12.409 6.528 ( -4.478 0.000 0.000) 4.478 6.778 ( -55.693 0.000 0.000) 55.693 6.904 ( -41.952 0.000 0.000) 41.952 7.600 ( 22.310 0.000 0.000) 22.310 7.622 ( 23.011 0.000 0.000) 23.011 8.678 ( -27.943 0.000 0.000) 27.943 8.722 ( -27.900 0.000 0.000) 27.900 9.028 ( 23.511 0.000 0.000) 23.511 9.062 ( 23.505 0.000 0.000) 23.505 9.782 ( -13.861 0.000 0.000) 13.861 9.808 ( -13.743 0.000 0.000) 13.743 12.231 ( 2.907 0.000 0.000) 2.907 12.337 ( 11.071 0.000 0.000) 11.071 12.456 ( -8.178 0.000 0.000) 8.178 12.473 ( 1.576 0.000 0.000) 1.576 12.494 ( -2.582 0.000 0.000) 2.582 12.575 ( 2.897 0.000 0.000) 2.897 12.584 ( -8.171 0.000 0.000) 8.171 12.668 ( -10.212 0.000 0.000) 10.212 12.785 ( -7.522 0.000 0.000) 7.522 12.791 ( 11.910 0.000 0.000) 11.910 12.901 ( -13.674 0.000 0.000) 13.674 13.183 ( 11.553 0.000 0.000) 11.553 13.450 ( -15.891 0.000 0.000) 15.891 13.490 ( 14.452 0.000 0.000) 14.452 13.568 ( -8.514 0.000 0.000) 8.514 13.910 ( 3.398 0.000 0.000) 3.398 13.985 ( -8.802 0.000 0.000) 8.802 14.111 ( -3.608 0.000 0.000) 3.608 14.154 ( 8.685 0.000 0.000) 8.685 14.212 ( 9.157 0.000 0.000) 9.157 14.243 ( 2.893 0.000 0.000) 2.893 14.403 ( 10.740 0.000 0.000) 10.740 14.408 ( -1.567 0.000 0.000) 1.567 14.438 ( -0.705 0.000 0.000) 0.705 14.571 ( -11.373 0.000 0.000) 11.373 14.659 ( -0.425 0.000 0.000) 0.425 14.683 ( 2.622 0.000 0.000) 2.622 14.995 ( -11.702 0.000 0.000) 11.702 15.211 ( 10.629 0.000 0.000) 10.629 15.401 ( 8.400 0.000 0.000) 8.400 15.436 ( -0.459 0.000 0.000) 0.459 15.615 ( -1.814 0.000 0.000) 1.814 15.681 ( 10.036 0.000 0.000) 10.036 15.728 ( 9.261 0.000 0.000) 9.261 15.979 ( -4.383 0.000 0.000) 4.383 16.005 ( -4.030 0.000 0.000) 4.030 16.119 ( 5.212 0.000 0.000) 5.212 16.220 ( 0.853 0.000 0.000) 0.853 16.741 ( 2.071 0.000 0.000) 2.071 16.750 ( 3.057 0.000 0.000) 3.057 16.939 ( 4.828 0.000 0.000) 4.828 16.949 ( 6.185 0.000 0.000) 6.185 16.993 ( 8.525 0.000 0.000) 8.525 17.100 ( 3.059 0.000 0.000) 3.059 17.286 ( 6.363 0.000 0.000) 6.363 17.445 ( -4.654 0.000 0.000) 4.654 17.665 ( -3.324 0.000 0.000) 3.324 17.774 ( -7.058 0.000 0.000) 7.058 ======================= Grid point 4 (5/75) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( -34.914 0.000 0.000) 34.914 1.980 ( 34.914 0.000 0.000) 34.914 2.592 ( -20.697 0.000 0.000) 20.697 2.592 ( 20.697 0.000 0.000) 20.697 2.780 ( -6.214 0.000 0.000) 6.214 2.780 ( 6.214 0.000 0.000) 6.214 3.644 ( -0.265 0.000 0.000) 0.265 3.644 ( 0.265 0.000 0.000) 0.265 3.653 ( -38.520 0.000 0.000) 38.520 3.653 ( 38.520 0.000 0.000) 38.520 3.845 ( -1.210 0.000 0.000) 1.210 3.845 ( 1.210 0.000 0.000) 1.210 4.207 ( -8.632 0.000 0.000) 8.632 4.207 ( 8.632 0.000 0.000) 8.632 4.409 ( -19.165 0.000 0.000) 19.165 4.409 ( 19.165 0.000 0.000) 19.165 4.536 ( -2.748 0.000 0.000) 2.748 4.536 ( 2.748 0.000 0.000) 2.748 5.149 ( -20.096 0.000 0.000) 20.096 5.149 ( 20.096 0.000 0.000) 20.096 5.539 ( -48.262 0.000 0.000) 48.262 5.539 ( 48.262 0.000 0.000) 48.262 5.837 ( -23.127 0.000 0.000) 23.127 5.837 ( 23.127 0.000 0.000) 23.127 5.877 ( -7.893 0.000 0.000) 7.893 5.877 ( 7.893 0.000 0.000) 7.893 6.506 ( -3.462 0.000 0.000) 3.462 6.506 ( 3.462 0.000 0.000) 3.462 8.108 ( -27.428 0.000 0.000) 27.428 8.108 ( 27.428 0.000 0.000) 27.428 8.145 ( -28.083 0.000 0.000) 28.083 8.145 ( 28.083 0.000 0.000) 28.083 9.455 ( -18.621 0.000 0.000) 18.621 9.455 ( 18.621 0.000 0.000) 18.621 9.485 ( -18.370 0.000 0.000) 18.370 9.485 ( 18.370 0.000 0.000) 18.370 12.309 ( -5.701 0.000 0.000) 5.701 12.309 ( 5.702 0.000 0.000) 5.702 12.478 ( -2.589 0.000 0.000) 2.589 12.478 ( 2.589 0.000 0.000) 2.589 12.518 ( -4.436 0.000 0.000) 4.436 12.518 ( 4.436 0.000 0.000) 4.436 12.617 ( -13.929 0.000 0.000) 13.929 12.617 ( 13.929 0.000 0.000) 13.929 12.655 ( -5.242 0.000 0.000) 5.242 12.655 ( 5.242 0.000 0.000) 5.242 13.109 ( -17.339 0.000 0.000) 17.339 13.109 ( 17.339 0.000 0.000) 17.339 13.393 ( -9.149 0.000 0.000) 9.149 13.393 ( 9.149 0.000 0.000) 9.149 13.767 ( -12.500 0.000 0.000) 12.500 13.767 ( 12.500 0.000 0.000) 12.500 13.997 ( -6.078 0.000 0.000) 6.078 13.997 ( 6.078 0.000 0.000) 6.078 14.328 ( -5.881 0.000 0.000) 5.881 14.328 ( 5.881 0.000 0.000) 5.881 14.360 ( -9.360 0.000 0.000) 9.360 14.360 ( 9.360 0.000 0.000) 9.360 14.364 ( -6.011 0.000 0.000) 6.011 14.364 ( 6.011 0.000 0.000) 6.011 14.604 ( -6.432 0.000 0.000) 6.432 14.604 ( 6.432 0.000 0.000) 6.432 14.775 ( -8.170 0.000 0.000) 8.170 14.775 ( 8.170 0.000 0.000) 8.170 15.378 ( -5.565 0.000 0.000) 5.565 15.378 ( 5.565 0.000 0.000) 5.565 15.543 ( -5.394 0.000 0.000) 5.394 15.543 ( 5.394 0.000 0.000) 5.394 15.860 ( -7.460 0.000 0.000) 7.460 15.860 ( 7.460 0.000 0.000) 7.460 15.895 ( -6.939 0.000 0.000) 6.939 15.895 ( 6.939 0.000 0.000) 6.939 16.200 ( -2.716 0.000 0.000) 2.716 16.200 ( 2.716 0.000 0.000) 2.716 16.771 ( -0.558 0.000 0.000) 0.558 16.771 ( 0.558 0.000 0.000) 0.558 17.005 ( -0.886 0.000 0.000) 0.886 17.005 ( 0.886 0.000 0.000) 0.886 17.116 ( -2.476 0.000 0.000) 2.476 17.116 ( 2.476 0.000 0.000) 2.476 17.371 ( -2.960 0.000 0.000) 2.960 17.371 ( 2.960 0.000 0.000) 2.960 17.658 ( -3.202 0.000 0.000) 3.202 17.658 ( 3.202 0.000 0.000) 3.202 ======================= Grid point 9 (6/75) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.430 ( 0.000 18.596 0.000) 18.596 0.587 ( 0.000 25.715 0.000) 25.715 1.108 ( 0.000 -9.668 0.000) 9.668 1.252 ( 0.000 54.311 0.000) 54.311 1.590 ( 0.000 -15.789 0.000) 15.789 2.608 ( 0.000 4.332 0.000) 4.332 2.814 ( 0.000 -3.076 0.000) 3.076 3.254 ( 0.000 9.701 0.000) 9.701 3.270 ( 0.000 -26.578 0.000) 26.578 3.674 ( 0.000 -6.312 0.000) 6.312 3.888 ( 0.000 2.781 0.000) 2.781 3.956 ( 0.000 -0.886 0.000) 0.886 4.039 ( 0.000 -7.748 0.000) 7.748 4.100 ( 0.000 -5.389 0.000) 5.389 4.284 ( 0.000 6.358 0.000) 6.358 4.605 ( 0.000 -5.205 0.000) 5.205 4.755 ( 0.000 6.884 0.000) 6.884 5.050 ( 0.000 -4.208 0.000) 4.208 5.693 ( 0.000 0.431 0.000) 0.431 5.705 ( 0.000 1.967 0.000) 1.967 5.806 ( 0.000 4.478 0.000) 4.478 6.008 ( 0.000 -3.500 0.000) 3.500 6.850 ( 0.000 0.237 0.000) 0.237 6.863 ( 0.000 -0.231 0.000) 0.231 6.874 ( 0.000 14.046 0.000) 14.046 7.226 ( 0.000 0.085 0.000) 0.085 7.231 ( 0.000 -0.098 0.000) 0.098 7.302 ( 0.000 -2.733 0.000) 2.733 7.468 ( 0.000 2.717 0.000) 2.717 7.795 ( 0.000 -8.088 0.000) 8.088 9.115 ( 0.000 0.407 0.000) 0.407 9.138 ( 0.000 -0.395 0.000) 0.395 9.488 ( 0.000 0.332 0.000) 0.332 9.509 ( 0.000 -0.433 0.000) 0.433 10.232 ( 0.000 0.407 0.000) 0.407 10.254 ( 0.000 -0.367 0.000) 0.367 11.900 ( 0.000 2.571 0.000) 2.571 12.068 ( 0.000 -3.503 0.000) 3.503 12.366 ( 0.000 2.444 0.000) 2.444 12.518 ( 0.000 -2.910 0.000) 2.910 12.655 ( 0.000 1.106 0.000) 1.106 12.713 ( 0.000 -0.961 0.000) 0.961 12.853 ( 0.000 3.625 0.000) 3.625 13.024 ( 0.000 -2.300 0.000) 2.300 13.089 ( 0.000 0.494 0.000) 0.494 13.137 ( 0.000 -0.939 0.000) 0.939 13.220 ( 0.000 1.943 0.000) 1.943 13.257 ( 0.000 1.197 0.000) 1.197 13.447 ( 0.000 -1.686 0.000) 1.686 13.530 ( 0.000 -4.651 0.000) 4.651 13.910 ( 0.000 0.361 0.000) 0.361 13.927 ( 0.000 -0.267 0.000) 0.267 13.972 ( 0.000 4.592 0.000) 4.592 14.094 ( 0.000 1.250 0.000) 1.250 14.151 ( 0.000 -0.774 0.000) 0.774 14.178 ( 0.000 -0.450 0.000) 0.450 14.179 ( 0.000 -1.853 0.000) 1.853 14.238 ( 0.000 -1.162 0.000) 1.162 14.322 ( 0.000 3.920 0.000) 3.920 14.365 ( 0.000 1.340 0.000) 1.340 14.424 ( 0.000 -0.874 0.000) 0.874 14.502 ( 0.000 -2.576 0.000) 2.576 14.985 ( 0.000 1.369 0.000) 1.369 15.060 ( 0.000 -1.220 0.000) 1.220 15.206 ( 0.000 0.460 0.000) 0.460 15.250 ( 0.000 -1.364 0.000) 1.364 15.314 ( 0.000 0.568 0.000) 0.568 15.314 ( 0.000 0.273 0.000) 0.273 15.578 ( 0.000 0.675 0.000) 0.675 15.593 ( 0.000 1.154 0.000) 1.154 15.619 ( 0.000 -0.749 0.000) 0.749 15.658 ( 0.000 -1.117 0.000) 1.117 16.055 ( 0.000 2.496 0.000) 2.496 16.133 ( 0.000 0.655 0.000) 0.655 16.166 ( 0.000 -0.538 0.000) 0.538 16.249 ( 0.000 -5.219 0.000) 5.219 16.508 ( 0.000 3.723 0.000) 3.723 16.621 ( 0.000 -1.133 0.000) 1.133 16.717 ( 0.000 0.319 0.000) 0.319 16.734 ( 0.000 -0.186 0.000) 0.186 16.975 ( 0.000 0.261 0.000) 0.261 16.993 ( 0.000 -0.418 0.000) 0.418 17.909 ( 0.000 0.901 0.000) 0.901 17.959 ( 0.000 -0.836 0.000) 0.836 ======================= Grid point 10 (7/75) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 23.226 17.555 0.000) 29.114 1.075 ( 18.490 29.822 0.000) 35.089 1.453 ( 36.228 28.477 0.000) 46.081 1.670 ( 44.348 -8.778 0.000) 45.208 1.728 ( 14.072 -14.907 0.000) 20.500 2.710 ( 9.282 6.243 0.000) 11.186 3.044 ( 15.097 -7.665 0.000) 16.931 3.211 ( -4.338 -24.537 0.000) 24.918 3.220 ( -2.584 9.579 0.000) 9.921 3.655 ( -4.076 -7.412 0.000) 8.459 3.864 ( -2.319 -0.370 0.000) 2.348 3.892 ( -10.770 -1.247 0.000) 10.842 3.948 ( -0.192 1.124 0.000) 1.140 4.103 ( -0.406 -6.133 0.000) 6.146 4.196 ( -5.829 5.750 0.000) 8.188 4.522 ( -5.393 -1.592 0.000) 5.623 4.831 ( 4.263 3.602 0.000) 5.581 4.947 ( -9.414 -0.917 0.000) 9.458 5.596 ( -6.364 3.432 0.000) 7.231 5.670 ( -3.043 1.022 0.000) 3.210 5.828 ( 1.654 2.517 0.000) 3.012 5.970 ( -3.623 -2.677 0.000) 4.505 6.344 ( -35.300 3.971 0.000) 35.523 6.468 ( -36.198 -1.355 0.000) 36.223 6.957 ( -3.774 5.243 0.000) 6.460 6.963 ( -22.233 14.250 0.000) 26.408 7.016 ( -3.485 1.986 0.000) 4.011 7.021 ( -3.589 3.716 0.000) 5.166 7.933 ( 29.352 0.132 0.000) 29.352 7.937 ( 30.983 -0.111 0.000) 30.984 8.711 ( -34.159 0.175 0.000) 34.160 8.717 ( -34.813 -0.083 0.000) 34.813 9.483 ( -6.743 0.212 0.000) 6.746 9.489 ( -5.553 -0.079 0.000) 5.553 10.177 ( -5.294 0.390 0.000) 5.308 10.198 ( -5.402 -0.353 0.000) 5.414 11.956 ( 5.431 2.722 0.000) 6.075 12.142 ( 5.917 -4.398 0.000) 7.372 12.340 ( -2.228 2.356 0.000) 3.243 12.498 ( -1.398 -3.449 0.000) 3.721 12.683 ( 0.716 0.776 0.000) 1.056 12.732 ( -0.827 -1.131 0.000) 1.401 12.827 ( -1.906 3.931 0.000) 4.369 12.918 ( -5.070 2.145 0.000) 5.505 13.008 ( -4.916 -2.443 0.000) 5.490 13.046 ( -5.927 -1.827 0.000) 6.203 13.103 ( -8.378 1.873 0.000) 8.585 13.240 ( -13.300 -2.833 0.000) 13.598 13.483 ( 12.361 1.557 0.000) 12.459 13.568 ( -15.386 9.591 0.000) 18.130 13.650 ( 4.257 -1.850 0.000) 4.642 13.950 ( -12.300 -3.656 0.000) 12.832 13.962 ( -0.057 3.232 0.000) 3.232 14.038 ( 4.661 -1.445 0.000) 4.880 14.045 ( 2.991 3.091 0.000) 4.301 14.115 ( -2.280 1.304 0.000) 2.627 14.211 ( -0.172 -0.379 0.000) 0.416 14.255 ( 3.845 -2.556 0.000) 4.617 14.276 ( 5.676 5.053 0.000) 7.600 14.412 ( -0.887 0.581 0.000) 1.060 14.518 ( 6.078 -0.880 0.000) 6.142 14.558 ( 4.578 -2.446 0.000) 5.190 14.858 ( -2.590 1.617 0.000) 3.053 14.954 ( -3.406 -2.064 0.000) 3.983 15.174 ( -2.701 5.541 0.000) 6.164 15.273 ( 5.180 -0.655 0.000) 5.221 15.278 ( 0.507 -0.705 0.000) 0.868 15.362 ( 4.104 -1.033 0.000) 4.232 15.374 ( 5.477 1.743 0.000) 5.748 15.517 ( 0.407 -5.374 0.000) 5.390 15.935 ( 14.387 10.660 0.000) 17.906 16.075 ( 0.913 1.327 0.000) 1.611 16.116 ( -2.645 -0.105 0.000) 2.647 16.144 ( 2.154 2.331 0.000) 3.174 16.370 ( 9.139 -4.931 0.000) 10.385 16.557 ( 7.228 -8.414 0.000) 11.092 16.609 ( 9.102 1.778 0.000) 9.274 16.662 ( 4.150 -0.343 0.000) 4.164 16.791 ( 5.891 2.543 0.000) 6.416 16.982 ( 1.223 -0.403 0.000) 1.288 17.008 ( 2.240 -0.384 0.000) 2.272 17.225 ( 27.124 -24.096 0.000) 36.281 17.865 ( -4.068 0.704 0.000) 4.128 17.920 ( -3.382 -2.241 0.000) 4.057 ======================= Grid point 11 (8/75) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.264 ( 11.399 39.294 0.000) 40.914 1.419 ( 30.886 10.762 0.000) 32.707 2.092 ( 23.697 -14.709 0.000) 27.891 2.400 ( 40.024 7.900 0.000) 40.796 2.466 ( 21.136 -15.211 0.000) 26.041 3.024 ( 25.294 7.613 0.000) 26.414 3.125 ( -2.809 7.924 0.000) 8.407 3.207 ( 6.528 -14.131 0.000) 15.567 3.388 ( -14.994 2.220 0.000) 15.157 3.408 ( 17.952 -2.482 0.000) 18.122 3.821 ( 2.551 -2.258 0.000) 3.407 3.836 ( 2.689 -2.447 0.000) 3.636 3.955 ( 1.538 0.821 0.000) 1.743 4.072 ( -5.878 1.923 0.000) 6.184 4.095 ( -0.648 -5.374 0.000) 5.412 4.416 ( -6.150 -6.578 0.000) 9.006 4.745 ( -8.567 4.400 0.000) 9.631 4.853 ( -2.228 1.132 0.000) 2.499 5.490 ( -4.327 3.052 0.000) 5.295 5.542 ( -33.180 2.535 0.000) 33.277 5.630 ( -8.409 -1.781 0.000) 8.596 5.649 ( -33.990 -1.421 0.000) 34.019 5.894 ( -4.870 -0.268 0.000) 4.877 5.905 ( -4.477 -1.189 0.000) 4.632 6.596 ( -11.219 7.358 0.000) 13.417 6.703 ( -11.455 2.195 0.000) 11.663 7.221 ( 15.168 0.144 0.000) 15.169 7.230 ( 15.278 -0.178 0.000) 15.279 7.854 ( -48.909 0.203 0.000) 48.910 7.864 ( -47.551 -0.098 0.000) 47.551 8.515 ( 27.499 0.347 0.000) 27.501 8.535 ( 27.880 -0.368 0.000) 27.883 9.194 ( -20.999 0.462 0.000) 21.004 9.218 ( -20.375 -0.396 0.000) 20.379 10.024 ( -9.695 0.344 0.000) 9.701 10.042 ( -9.794 -0.312 0.000) 9.799 12.111 ( 9.536 2.919 0.000) 9.973 12.297 ( -1.394 2.475 0.000) 2.840 12.300 ( 9.125 -4.129 0.000) 10.016 12.478 ( -0.160 -4.316 0.000) 4.319 12.601 ( -6.458 0.755 0.000) 6.502 12.635 ( -7.089 0.330 0.000) 7.097 12.751 ( -4.545 2.179 0.000) 5.040 12.825 ( -12.489 1.851 0.000) 12.625 12.870 ( -8.527 -1.733 0.000) 8.701 12.938 ( -8.816 -2.139 0.000) 9.072 13.001 ( 5.155 2.627 0.000) 5.786 13.146 ( 5.479 -2.179 0.000) 5.896 13.301 ( -7.347 7.818 0.000) 10.728 13.675 ( -12.489 -5.834 0.000) 13.785 13.726 ( -2.097 -0.774 0.000) 2.235 13.743 ( 10.265 -0.872 0.000) 10.302 13.988 ( 5.561 1.013 0.000) 5.653 14.074 ( -0.397 0.561 0.000) 0.687 14.087 ( -1.041 -1.350 0.000) 1.705 14.123 ( 3.054 -0.110 0.000) 3.056 14.272 ( 5.726 2.113 0.000) 6.103 14.304 ( -4.572 1.979 0.000) 4.982 14.376 ( 4.648 -0.610 0.000) 4.688 14.395 ( 4.736 1.626 0.000) 5.007 14.593 ( 0.528 -2.235 0.000) 2.296 14.624 ( 1.793 -1.643 0.000) 2.432 14.852 ( -6.988 3.488 0.000) 7.810 14.969 ( 9.311 -0.633 0.000) 9.333 15.193 ( -7.239 -0.770 0.000) 7.280 15.206 ( 5.215 -1.228 0.000) 5.358 15.384 ( 5.439 -0.667 0.000) 5.480 15.478 ( 6.392 -4.130 0.000) 7.610 15.523 ( 8.789 2.849 0.000) 9.239 15.599 ( 6.319 -0.983 0.000) 6.395 16.033 ( -2.170 0.903 0.000) 2.350 16.059 ( -1.985 -0.365 0.000) 2.018 16.158 ( 5.565 10.148 0.000) 11.574 16.222 ( 4.308 4.364 0.000) 6.132 16.548 ( 7.604 -5.676 0.000) 9.489 16.640 ( 2.766 -5.035 0.000) 5.744 16.793 ( 8.236 0.107 0.000) 8.237 16.797 ( 9.112 -0.285 0.000) 9.117 16.917 ( 4.428 4.317 0.000) 6.184 17.022 ( 2.834 -0.762 0.000) 2.935 17.140 ( 10.265 2.310 0.000) 10.521 17.460 ( 2.078 -8.011 0.000) 8.276 17.761 ( -5.770 0.194 0.000) 5.773 17.834 ( -5.066 -4.292 0.000) 6.640 ======================= Grid point 12 (9/75) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.619 ( 22.784 25.496 0.000) 34.192 2.058 ( 29.832 6.003 0.000) 30.430 2.559 ( -4.164 -9.697 0.000) 10.553 2.574 ( 19.019 -13.068 0.000) 23.076 2.852 ( 6.457 5.491 0.000) 8.476 2.867 ( -18.144 9.431 0.000) 20.449 3.152 ( 7.368 5.961 0.000) 9.478 3.429 ( 12.333 -9.334 0.000) 15.467 3.580 ( 1.076 -0.916 0.000) 1.412 3.748 ( 7.415 -8.075 0.000) 10.963 3.913 ( -0.842 1.825 0.000) 2.010 3.919 ( -4.599 1.216 0.000) 4.757 4.087 ( 17.825 2.290 0.000) 17.972 4.171 ( 22.386 0.059 0.000) 22.386 4.236 ( -5.995 -8.474 0.000) 10.380 4.435 ( 43.637 -5.334 0.000) 43.962 4.647 ( -1.240 6.946 0.000) 7.056 4.660 ( -26.283 5.928 0.000) 26.944 4.906 ( -9.333 -2.156 0.000) 9.579 4.921 ( -33.444 -3.066 0.000) 33.584 5.413 ( -3.687 3.944 0.000) 5.399 5.602 ( 0.937 -3.133 0.000) 3.271 5.814 ( -2.900 0.465 0.000) 2.937 5.862 ( -2.074 -1.506 0.000) 2.563 6.385 ( -14.406 3.652 0.000) 14.862 6.517 ( -10.050 -1.195 0.000) 10.121 6.807 ( -50.155 2.315 0.000) 50.209 6.896 ( -42.035 -0.866 0.000) 42.044 7.603 ( 22.417 0.276 0.000) 22.419 7.619 ( 22.910 -0.266 0.000) 22.912 8.685 ( -27.942 0.565 0.000) 27.948 8.716 ( -27.910 -0.523 0.000) 27.915 9.033 ( 23.515 0.418 0.000) 23.519 9.057 ( 23.510 -0.413 0.000) 23.514 9.786 ( -13.841 0.343 0.000) 13.845 9.805 ( -13.757 -0.303 0.000) 13.760 12.263 ( 2.860 2.773 0.000) 3.984 12.364 ( 10.212 2.195 0.000) 10.445 12.427 ( 1.678 -2.405 0.000) 2.932 12.486 ( -5.886 0.031 0.000) 5.886 12.500 ( -2.909 0.435 0.000) 2.941 12.511 ( 1.562 -3.166 0.000) 3.531 12.606 ( -7.787 1.197 0.000) 7.878 12.660 ( -9.950 -0.747 0.000) 9.978 12.764 ( 7.312 -1.487 0.000) 7.462 12.767 ( -6.073 -1.300 0.000) 6.211 12.997 ( -11.259 6.823 0.000) 13.165 13.199 ( 8.240 0.760 0.000) 8.275 13.407 ( -11.364 -3.033 0.000) 11.762 13.452 ( 12.185 -2.836 0.000) 12.511 13.626 ( -5.627 4.701 0.000) 7.332 13.884 ( 0.178 -3.580 0.000) 3.584 13.985 ( -3.720 1.113 0.000) 3.883 14.074 ( -0.075 -2.445 0.000) 2.446 14.155 ( 5.653 -0.043 0.000) 5.653 14.192 ( 4.741 -1.394 0.000) 4.942 14.266 ( 2.012 2.717 0.000) 3.381 14.396 ( 2.895 0.671 0.000) 2.972 14.435 ( 0.154 -0.400 0.000) 0.429 14.470 ( 5.175 0.318 0.000) 5.185 14.528 ( -5.638 -0.624 0.000) 5.673 14.645 ( 0.441 -1.353 0.000) 1.423 14.736 ( -3.185 4.043 0.000) 5.147 14.950 ( -10.272 -3.772 0.000) 10.942 15.215 ( 7.960 0.460 0.000) 7.973 15.314 ( 3.939 -4.266 0.000) 5.807 15.489 ( 4.777 1.972 0.000) 5.168 15.571 ( 2.173 -2.558 0.000) 3.356 15.707 ( 8.903 1.825 0.000) 9.088 15.745 ( 7.725 0.553 0.000) 7.744 15.974 ( -3.705 0.158 0.000) 3.708 16.001 ( -3.852 -0.436 0.000) 3.877 16.244 ( 3.113 9.134 0.000) 9.650 16.286 ( 1.687 5.450 0.000) 5.705 16.663 ( 3.672 -6.260 0.000) 7.257 16.685 ( 1.653 -4.951 0.000) 5.219 16.955 ( 6.667 0.478 0.000) 6.684 16.985 ( 8.755 -0.374 0.000) 8.763 16.990 ( 3.187 2.899 0.000) 4.308 17.087 ( 3.023 -1.097 0.000) 3.216 17.316 ( 5.998 2.664 0.000) 6.563 17.439 ( -2.552 -0.767 0.000) 2.665 17.654 ( -4.101 -0.713 0.000) 4.163 17.720 ( -5.883 -3.938 0.000) 7.080 ======================= Grid point 13 (10/75) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.113 ( -23.203 9.374 0.000) 25.025 2.113 ( 23.203 9.374 0.000) 25.025 2.713 ( -19.573 7.212 0.000) 20.859 2.713 ( 19.573 7.212 0.000) 20.859 2.715 ( -0.983 -1.299 0.000) 1.629 2.715 ( 0.983 -1.298 0.000) 1.628 3.521 ( -20.357 -12.000 0.000) 23.631 3.521 ( 20.357 -12.000 0.000) 23.631 3.620 ( -2.603 -1.393 0.000) 2.952 3.620 ( 2.603 -1.393 0.000) 2.952 3.859 ( -2.101 0.128 0.000) 2.104 3.859 ( 2.101 0.128 0.000) 2.104 4.179 ( -6.258 0.860 0.000) 6.317 4.179 ( 6.258 0.860 0.000) 6.317 4.369 ( -19.033 -3.420 0.000) 19.338 4.369 ( 19.033 -3.420 0.000) 19.338 4.629 ( -2.729 5.532 0.000) 6.168 4.629 ( 2.729 5.532 0.000) 6.168 5.149 ( -15.493 -0.075 0.000) 15.493 5.149 ( 15.493 -0.075 0.000) 15.493 5.530 ( -36.305 -0.552 0.000) 36.309 5.530 ( 36.305 -0.552 0.000) 36.309 5.798 ( -12.773 -2.211 0.000) 12.963 5.798 ( 12.773 -2.211 0.000) 12.963 5.897 ( -0.804 0.981 0.000) 1.269 5.897 ( 0.804 0.981 0.000) 1.269 6.525 ( -2.312 1.308 0.000) 2.656 6.525 ( 2.312 1.308 0.000) 2.656 8.114 ( -27.527 0.471 0.000) 27.531 8.114 ( 27.527 0.471 0.000) 27.531 8.140 ( -27.987 -0.444 0.000) 27.991 8.140 ( 27.987 -0.444 0.000) 27.991 9.457 ( -15.706 0.203 0.000) 15.707 9.457 ( 15.706 0.203 0.000) 15.707 9.483 ( -15.529 -0.176 0.000) 15.530 9.483 ( 15.529 -0.176 0.000) 15.530 12.339 ( -5.408 2.551 0.000) 5.979 12.339 ( 5.408 2.551 0.000) 5.979 12.474 ( -0.082 -0.813 0.000) 0.817 12.474 ( 0.082 -0.813 0.000) 0.817 12.518 ( -2.458 -0.072 0.000) 2.459 12.518 ( 2.458 -0.072 0.000) 2.459 12.542 ( -2.112 -3.366 0.000) 3.974 12.542 ( 2.112 -3.366 0.000) 3.974 12.743 ( -6.464 4.777 0.000) 8.037 12.743 ( 6.464 4.777 0.000) 8.037 13.055 ( -14.201 -4.027 0.000) 14.761 13.055 ( 14.201 -4.027 0.000) 14.761 13.455 ( -8.005 4.663 0.000) 9.264 13.455 ( 8.005 4.663 0.000) 9.264 13.731 ( -11.264 -3.068 0.000) 11.674 13.731 ( 11.264 -3.068 0.000) 11.674 14.014 ( -3.927 1.318 0.000) 4.142 14.014 ( 3.927 1.318 0.000) 4.142 14.250 ( -1.454 -3.937 0.000) 4.197 14.250 ( 1.454 -3.937 0.000) 4.197 14.367 ( -6.984 0.560 0.000) 7.006 14.367 ( 6.984 0.560 0.000) 7.006 14.404 ( -1.248 1.217 0.000) 1.744 14.404 ( 1.248 1.217 0.000) 1.744 14.631 ( -3.736 1.833 0.000) 4.161 14.631 ( 3.736 1.833 0.000) 4.161 14.748 ( -6.749 -1.971 0.000) 7.031 14.748 ( 6.749 -1.971 0.000) 7.031 15.330 ( -2.644 -2.810 0.000) 3.858 15.330 ( 2.644 -2.810 0.000) 3.858 15.566 ( -2.402 1.202 0.000) 2.686 15.566 ( 2.402 1.202 0.000) 2.686 15.859 ( -3.902 0.118 0.000) 3.904 15.859 ( 3.902 0.118 0.000) 3.904 15.904 ( -3.750 0.420 0.000) 3.774 15.904 ( 3.750 0.420 0.000) 3.774 16.289 ( -1.237 7.075 0.000) 7.183 16.289 ( 1.237 7.075 0.000) 7.183 16.701 ( -0.286 -5.633 0.000) 5.641 16.701 ( 0.286 -5.633 0.000) 5.641 17.027 ( -0.280 1.506 0.000) 1.532 17.027 ( 0.280 1.506 0.000) 1.532 17.106 ( -2.281 -0.794 0.000) 2.415 17.106 ( 2.281 -0.794 0.000) 2.415 17.391 ( -2.265 1.556 0.000) 2.748 17.391 ( 2.265 1.556 0.000) 2.748 17.628 ( -2.083 -2.292 0.000) 3.097 17.628 ( 2.083 -2.292 0.000) 3.097 ======================= Grid point 18 (11/75) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.818 ( 0.000 -15.615 0.000) 15.615 0.818 ( 0.000 15.615 0.000) 15.615 1.138 ( 0.000 -23.017 0.000) 23.017 1.138 ( 0.000 23.017 0.000) 23.017 2.408 ( 0.000 -47.119 0.000) 47.119 2.408 ( 0.000 47.119 0.000) 47.119 2.720 ( 0.000 -5.021 0.000) 5.021 2.720 ( 0.000 5.021 0.000) 5.021 3.489 ( 0.000 -10.081 0.000) 10.081 3.489 ( 0.000 10.081 0.000) 10.081 3.949 ( 0.000 -0.882 0.000) 0.882 3.949 ( 0.000 0.882 0.000) 0.882 3.977 ( 0.000 -5.034 0.000) 5.034 3.977 ( 0.000 5.034 0.000) 5.034 4.453 ( 0.000 -7.813 0.000) 7.813 4.453 ( 0.000 7.813 0.000) 7.813 4.920 ( 0.000 -7.097 0.000) 7.097 4.920 ( 0.000 7.097 0.000) 7.097 5.714 ( 0.000 -0.857 0.000) 0.857 5.714 ( 0.000 0.857 0.000) 0.857 5.913 ( 0.000 -4.766 0.000) 4.766 5.913 ( 0.000 4.766 0.000) 4.766 6.857 ( 0.000 -0.330 0.000) 0.330 6.857 ( 0.000 0.330 0.000) 0.330 7.173 ( 0.000 -9.944 0.000) 9.944 7.173 ( 0.000 9.944 0.000) 9.944 7.229 ( 0.000 -0.130 0.000) 0.130 7.229 ( 0.000 0.130 0.000) 0.130 7.587 ( 0.000 -8.428 0.000) 8.428 7.587 ( 0.000 8.428 0.000) 8.428 9.127 ( 0.000 -0.567 0.000) 0.567 9.127 ( 0.000 0.567 0.000) 0.567 9.498 ( 0.000 -0.530 0.000) 0.530 9.498 ( 0.000 0.530 0.000) 0.530 10.243 ( 0.000 -0.546 0.000) 0.546 10.243 ( 0.000 0.546 0.000) 0.546 11.978 ( 0.000 -4.122 0.000) 4.122 11.978 ( 0.000 4.122 0.000) 4.122 12.439 ( 0.000 -3.758 0.000) 3.758 12.439 ( 0.000 3.758 0.000) 3.758 12.685 ( 0.000 -1.416 0.000) 1.416 12.685 ( 0.000 1.416 0.000) 1.416 12.947 ( 0.000 -4.237 0.000) 4.237 12.947 ( 0.000 4.237 0.000) 4.237 13.111 ( 0.000 -1.230 0.000) 1.230 13.111 ( 0.000 1.230 0.000) 1.230 13.264 ( 0.000 -1.241 0.000) 1.241 13.264 ( 0.000 1.241 0.000) 1.241 13.442 ( 0.000 -2.182 0.000) 2.182 13.442 ( 0.000 2.182 0.000) 2.182 13.919 ( 0.000 -0.420 0.000) 0.420 13.919 ( 0.000 0.420 0.000) 0.420 14.079 ( 0.000 -4.463 0.000) 4.463 14.079 ( 0.000 4.463 0.000) 4.463 14.133 ( 0.000 -2.079 0.000) 2.079 14.133 ( 0.000 2.079 0.000) 2.079 14.205 ( 0.000 -1.693 0.000) 1.693 14.205 ( 0.000 1.693 0.000) 1.693 14.397 ( 0.000 -1.434 0.000) 1.434 14.397 ( 0.000 1.434 0.000) 1.434 14.421 ( 0.000 -4.403 0.000) 4.403 14.421 ( 0.000 4.403 0.000) 4.403 15.023 ( 0.000 -1.848 0.000) 1.848 15.023 ( 0.000 1.848 0.000) 1.848 15.222 ( 0.000 -1.036 0.000) 1.036 15.222 ( 0.000 1.036 0.000) 1.036 15.319 ( 0.000 -0.052 0.000) 0.052 15.319 ( 0.000 0.052 0.000) 0.052 15.598 ( 0.000 -1.007 0.000) 1.007 15.598 ( 0.000 1.007 0.000) 1.007 15.626 ( 0.000 -1.603 0.000) 1.603 15.626 ( 0.000 1.603 0.000) 1.603 16.136 ( 0.000 -4.572 0.000) 4.572 16.136 ( 0.000 4.572 0.000) 4.572 16.150 ( 0.000 -0.837 0.000) 0.837 16.150 ( 0.000 0.837 0.000) 0.837 16.580 ( 0.000 -2.574 0.000) 2.574 16.580 ( 0.000 2.574 0.000) 2.574 16.726 ( 0.000 -0.438 0.000) 0.438 16.726 ( 0.000 0.438 0.000) 0.438 16.983 ( 0.000 -0.448 0.000) 0.448 16.983 ( 0.000 0.448 0.000) 0.448 17.934 ( 0.000 -1.226 0.000) 1.226 17.934 ( 0.000 1.226 0.000) 1.226 ======================= Grid point 20 (12/75) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.289 ( 18.266 -17.166 0.000) 25.066 1.289 ( 18.266 17.166 0.000) 25.066 1.447 ( 40.837 -8.299 0.000) 41.672 1.447 ( 40.837 8.299 0.000) 41.672 2.405 ( 2.113 -43.327 0.000) 43.378 2.405 ( 2.113 43.327 0.000) 43.378 2.878 ( 14.015 -7.199 0.000) 15.756 2.878 ( 14.015 7.199 0.000) 15.756 3.456 ( -3.613 -10.273 0.000) 10.890 3.456 ( -3.613 10.273 0.000) 10.890 3.861 ( -5.359 -0.451 0.000) 5.378 3.861 ( -5.359 0.451 0.000) 5.378 4.001 ( 0.203 -3.458 0.000) 3.464 4.001 ( 0.203 3.458 0.000) 3.464 4.378 ( -6.554 -8.912 0.000) 11.062 4.378 ( -6.554 8.912 0.000) 11.062 4.909 ( -1.805 -2.839 0.000) 3.365 4.909 ( -1.805 2.839 0.000) 3.365 5.657 ( -4.836 -1.958 0.000) 5.217 5.657 ( -4.836 1.958 0.000) 5.217 5.899 ( -1.505 -3.473 0.000) 3.785 5.899 ( -1.505 3.473 0.000) 3.785 6.423 ( -36.973 -2.741 0.000) 37.074 6.423 ( -36.973 2.741 0.000) 37.074 6.999 ( 6.130 -0.358 0.000) 6.140 6.999 ( 6.130 0.358 0.000) 6.140 7.124 ( -24.022 -2.972 0.000) 24.206 7.124 ( -24.022 2.972 0.000) 24.206 7.936 ( 29.794 -0.038 0.000) 29.794 7.936 ( 29.794 0.038 0.000) 29.794 8.715 ( -34.459 -0.135 0.000) 34.459 8.715 ( -34.459 0.135 0.000) 34.459 9.487 ( -6.150 -0.132 0.000) 6.152 9.487 ( -6.150 0.132 0.000) 6.152 10.188 ( -5.354 -0.524 0.000) 5.379 10.188 ( -5.354 0.524 0.000) 5.379 12.039 ( 5.757 -4.437 0.000) 7.268 12.039 ( 5.757 4.437 0.000) 7.268 12.412 ( -2.127 -3.836 0.000) 4.386 12.412 ( -2.127 3.836 0.000) 4.386 12.705 ( 0.006 -1.170 0.000) 1.170 12.705 ( 0.006 1.170 0.000) 1.170 12.922 ( -2.226 -3.882 0.000) 4.474 12.922 ( -2.226 3.882 0.000) 4.474 12.989 ( -5.832 -2.714 0.000) 6.433 12.989 ( -5.832 2.714 0.000) 6.433 13.167 ( -11.329 -3.393 0.000) 11.826 13.167 ( -11.329 3.393 0.000) 11.826 13.535 ( 8.896 -3.157 0.000) 9.439 13.535 ( 8.896 3.157 0.000) 9.439 13.823 ( -17.133 -7.810 0.000) 18.829 13.823 ( -17.133 7.810 0.000) 18.829 14.008 ( 4.801 -1.354 0.000) 4.989 14.008 ( 4.801 1.354 0.000) 4.989 14.114 ( -2.983 -2.038 0.000) 3.613 14.114 ( -2.983 2.038 0.000) 3.613 14.208 ( 3.562 -0.752 0.000) 3.641 14.208 ( 3.562 0.752 0.000) 3.641 14.392 ( -0.168 -3.607 0.000) 3.611 14.392 ( -0.168 3.607 0.000) 3.611 14.508 ( 6.369 -0.743 0.000) 6.412 14.508 ( 6.369 0.743 0.000) 6.412 14.904 ( -2.510 -2.301 0.000) 3.405 14.904 ( -2.510 2.301 0.000) 3.405 15.264 ( 0.533 -0.464 0.000) 0.707 15.264 ( 0.533 0.464 0.000) 0.707 15.302 ( -1.512 -4.471 0.000) 4.720 15.302 ( -1.512 4.471 0.000) 4.720 15.421 ( 5.289 -2.856 0.000) 6.011 15.421 ( 5.289 2.856 0.000) 6.011 16.094 ( -1.863 -0.118 0.000) 1.867 16.094 ( -1.863 0.118 0.000) 1.867 16.201 ( 8.310 -3.294 0.000) 8.939 16.201 ( 8.310 3.294 0.000) 8.939 16.296 ( 16.927 -6.303 0.000) 18.062 16.296 ( 16.927 6.303 0.000) 18.062 16.643 ( 5.899 -1.222 0.000) 6.025 16.643 ( 5.899 1.222 0.000) 6.025 16.881 ( 13.843 -6.190 0.000) 15.164 16.881 ( 13.843 6.190 0.000) 15.165 17.003 ( 4.107 -0.226 0.000) 4.113 17.003 ( 4.107 0.226 0.000) 4.113 17.887 ( -4.396 -1.160 0.000) 4.546 17.887 ( -4.396 1.160 0.000) 4.546 ======================= Grid point 22 (13/75) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.731 ( 25.612 -15.945 0.000) 30.170 1.731 ( 25.612 15.945 0.000) 30.170 2.036 ( 11.680 -25.886 0.000) 28.399 2.036 ( 11.680 25.886 0.000) 28.399 2.719 ( 28.250 -21.003 0.000) 35.202 2.719 ( 28.250 21.003 0.000) 35.202 3.194 ( 7.800 -3.463 0.000) 8.534 3.194 ( 7.800 3.463 0.000) 8.534 3.393 ( 8.201 -1.749 0.000) 8.386 3.393 ( 8.201 1.749 0.000) 8.386 3.796 ( 1.072 -0.621 0.000) 1.239 3.796 ( 1.072 0.621 0.000) 1.239 3.992 ( -0.445 -2.689 0.000) 2.726 3.992 ( -0.445 2.689 0.000) 2.726 4.216 ( -8.936 -9.078 0.000) 12.739 4.216 ( -8.936 9.078 0.000) 12.739 4.840 ( -4.336 -2.703 0.000) 5.110 4.840 ( -4.336 2.703 0.000) 5.110 5.562 ( -5.037 -2.715 0.000) 5.722 5.562 ( -5.037 2.715 0.000) 5.722 5.608 ( -36.625 -1.812 0.000) 36.670 5.608 ( -36.625 1.812 0.000) 36.670 5.890 ( -4.178 -0.115 0.000) 4.180 5.890 ( -4.178 0.115 0.000) 4.180 6.715 ( -14.627 -2.220 0.000) 14.794 6.715 ( -14.627 2.220 0.000) 14.794 7.225 ( 15.224 -0.218 0.000) 15.226 7.225 ( 15.224 0.218 0.000) 15.226 7.860 ( -48.175 -0.267 0.000) 48.175 7.860 ( -48.175 0.267 0.000) 48.175 8.525 ( 27.695 -0.502 0.000) 27.700 8.525 ( 27.695 0.502 0.000) 27.700 9.206 ( -20.699 -0.595 0.000) 20.708 9.206 ( -20.699 0.595 0.000) 20.708 10.033 ( -9.743 -0.463 0.000) 9.754 10.033 ( -9.743 0.463 0.000) 9.754 12.198 ( 9.476 -4.544 0.000) 10.510 12.198 ( 9.476 4.544 0.000) 10.510 12.376 ( -0.955 -4.358 0.000) 4.461 12.376 ( -0.955 4.358 0.000) 4.461 12.623 ( -6.522 -1.017 0.000) 6.601 12.623 ( -6.522 1.017 0.000) 6.601 12.816 ( -6.530 -3.023 0.000) 7.196 12.816 ( -6.530 3.023 0.000) 7.196 12.878 ( -11.951 -2.820 0.000) 12.279 12.878 ( -11.951 2.820 0.000) 12.279 13.076 ( 7.777 -3.662 0.000) 8.596 13.076 ( 7.777 3.662 0.000) 8.596 13.502 ( -12.454 -9.086 0.000) 15.416 13.502 ( -12.454 9.086 0.000) 15.416 13.723 ( 6.187 -0.561 0.000) 6.213 13.723 ( 6.187 0.561 0.000) 6.213 14.030 ( -1.427 -2.486 0.000) 2.867 14.030 ( -1.427 2.486 0.000) 2.867 14.105 ( 2.316 -1.196 0.000) 2.606 14.105 ( 2.316 1.196 0.000) 2.606 14.317 ( 5.234 -1.362 0.000) 5.408 14.317 ( 5.234 1.362 0.000) 5.408 14.395 ( 0.198 -1.899 0.000) 1.909 14.395 ( 0.198 1.899 0.000) 1.909 14.581 ( 1.036 -1.541 0.000) 1.857 14.581 ( 1.036 1.541 0.000) 1.857 14.930 ( 0.975 -2.913 0.000) 3.072 14.930 ( 0.975 2.913 0.000) 3.072 15.185 ( -1.875 -0.308 0.000) 1.901 15.185 ( -1.875 0.308 0.000) 1.901 15.401 ( 6.558 -2.201 0.000) 6.917 15.401 ( 6.558 2.201 0.000) 6.917 15.573 ( 8.466 -1.596 0.000) 8.616 15.573 ( 8.466 1.596 0.000) 8.616 16.048 ( -2.574 -0.580 0.000) 2.638 16.048 ( -2.574 0.580 0.000) 2.638 16.324 ( 5.213 -1.509 0.000) 5.427 16.324 ( 5.213 1.509 0.000) 5.427 16.488 ( 5.030 -5.459 0.000) 7.423 16.488 ( 5.030 5.459 0.000) 7.423 16.795 ( 8.698 -0.050 0.000) 8.698 16.795 ( 8.698 0.050 0.000) 8.698 16.992 ( 2.490 -2.155 0.000) 3.293 16.992 ( 2.490 2.155 0.000) 3.293 17.254 ( 11.620 -8.184 0.000) 14.213 17.254 ( 11.620 8.184 0.000) 14.213 17.774 ( -6.233 -1.254 0.000) 6.358 17.774 ( -6.233 1.254 0.000) 6.358 ======================= Grid point 24 (14/75) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.156 ( 8.375 -13.472 0.000) 15.863 2.156 ( 8.375 13.472 0.000) 15.863 2.315 ( 25.096 -3.390 0.000) 25.323 2.315 ( 25.096 3.390 0.000) 25.323 3.023 ( -5.536 -2.989 0.000) 6.291 3.023 ( -5.536 2.989 0.000) 6.291 3.189 ( 8.562 -3.774 0.000) 9.356 3.189 ( 8.562 3.774 0.000) 9.356 3.612 ( -0.243 -3.947 0.000) 3.955 3.612 ( -0.243 3.947 0.000) 3.955 3.956 ( -4.519 -0.321 0.000) 4.530 3.956 ( -4.519 0.321 0.000) 4.530 4.077 ( 0.135 -3.028 0.000) 3.031 4.077 ( 0.135 3.028 0.000) 3.031 4.293 ( 43.868 -7.011 0.000) 44.425 4.293 ( 43.868 7.011 0.000) 44.425 4.760 ( -7.557 -0.064 0.000) 7.557 4.760 ( -7.557 0.064 0.000) 7.557 4.855 ( -27.502 -0.168 0.000) 27.503 4.855 ( -27.502 0.168 0.000) 27.503 5.513 ( -1.363 -4.522 0.000) 4.723 5.513 ( -1.363 4.522 0.000) 4.723 5.831 ( -2.456 -1.080 0.000) 2.683 5.831 ( -2.456 1.080 0.000) 2.683 6.468 ( -15.496 -3.180 0.000) 15.819 6.468 ( -15.496 3.180 0.000) 15.819 6.862 ( -43.796 -2.168 0.000) 43.849 6.862 ( -43.796 2.168 0.000) 43.849 7.611 ( 22.668 -0.386 0.000) 22.671 7.611 ( 22.668 0.386 0.000) 22.671 8.701 ( -27.932 -0.766 0.000) 27.942 8.701 ( -27.932 0.766 0.000) 27.942 9.045 ( 23.517 -0.587 0.000) 23.525 9.045 ( 23.517 0.587 0.000) 23.525 9.796 ( -13.795 -0.456 0.000) 13.803 9.796 ( -13.795 0.456 0.000) 13.803 12.346 ( 3.052 -4.295 0.000) 5.269 12.346 ( 3.052 4.295 0.000) 5.269 12.424 ( 6.263 -2.999 0.000) 6.944 12.424 ( 6.263 2.999 0.000) 6.944 12.507 ( -4.509 -0.044 0.000) 4.509 12.507 ( -4.509 0.044 0.000) 4.509 12.635 ( -9.174 -1.349 0.000) 9.273 12.635 ( -9.174 1.349 0.000) 9.273 12.746 ( -0.359 -0.156 0.000) 0.391 12.746 ( -0.359 0.156 0.000) 0.391 13.151 ( -7.385 -5.670 0.000) 9.310 13.151 ( -7.385 5.670 0.000) 9.310 13.387 ( 6.579 -2.028 0.000) 6.885 13.387 ( 6.579 2.028 0.000) 6.885 13.759 ( -3.053 -6.591 0.000) 7.264 13.759 ( -3.053 6.591 0.000) 7.264 14.025 ( 0.834 -1.965 0.000) 2.134 14.025 ( 0.834 1.965 0.000) 2.134 14.163 ( 2.910 -0.958 0.000) 3.064 14.163 ( 2.910 0.958 0.000) 3.064 14.367 ( 0.135 -5.768 0.000) 5.769 14.367 ( 0.135 5.768 0.000) 5.769 14.418 ( 1.561 -1.016 0.000) 1.863 14.418 ( 1.561 1.016 0.000) 1.863 14.594 ( 1.508 -3.210 0.000) 3.546 14.594 ( 1.508 3.210 0.000) 3.546 14.844 ( -7.424 -5.219 0.000) 9.074 14.844 ( -7.424 5.219 0.000) 9.074 15.241 ( 4.638 -2.123 0.000) 5.101 15.241 ( 4.638 2.123 0.000) 5.101 15.525 ( 5.016 -1.589 0.000) 5.262 15.525 ( 5.016 1.589 0.000) 5.262 15.740 ( 7.782 -0.928 0.000) 7.837 15.740 ( 7.782 0.928 0.000) 7.837 15.986 ( -3.695 -0.762 0.000) 3.773 15.986 ( -3.695 0.762 0.000) 3.773 16.402 ( 2.430 -0.524 0.000) 2.486 16.402 ( 2.430 0.524 0.000) 2.486 16.561 ( 2.396 -2.063 0.000) 3.161 16.561 ( 2.396 2.063 0.000) 3.161 16.969 ( 7.498 -0.730 0.000) 7.534 16.969 ( 7.498 0.730 0.000) 7.534 17.051 ( 3.043 -2.186 0.000) 3.747 17.051 ( 3.043 2.186 0.000) 3.747 17.392 ( 3.056 -3.423 0.000) 4.589 17.392 ( 3.056 3.423 0.000) 4.589 17.653 ( -5.264 -1.234 0.000) 5.407 17.653 ( -5.264 1.234 0.000) 5.407 ======================= Grid point 26 (15/75) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.252 ( -0.000 -0.000 0.000) 0.000 2.252 ( 0.000 0.000 0.000) 0.000 2.630 ( -0.000 0.000 0.000) 0.000 2.630 ( -0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 2.971 ( 0.000 0.000 0.000) 0.000 3.248 ( 0.000 -0.000 0.000) 0.000 3.248 ( -0.000 0.000 0.000) 0.000 3.602 ( -0.000 0.000 0.000) 0.000 3.602 ( -0.000 0.000 0.000) 0.000 3.854 ( -0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 4.246 ( -0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.284 ( -0.000 -0.000 0.000) 0.000 4.284 ( 0.000 -0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 5.146 ( -0.000 0.000 0.000) 0.000 5.146 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.769 ( -0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 5.909 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 6.543 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.000 0.000 0.000) 0.000 8.127 ( 0.003 -0.000 0.000) 0.003 8.127 ( -0.003 0.000 0.000) 0.003 8.127 ( -0.000 -0.000 0.000) 0.000 9.461 ( -0.000 0.000 0.000) 0.000 9.461 ( -0.000 0.000 0.000) 0.000 9.480 ( 0.000 0.000 0.000) 0.000 9.480 ( 0.000 0.000 0.000) 0.000 12.412 ( 0.001 -0.001 0.000) 0.001 12.412 ( 0.000 0.000 0.000) 0.000 12.416 ( -0.000 -0.000 0.000) 0.000 12.416 ( -0.001 0.001 0.000) 0.001 12.507 ( 0.000 0.000 0.000) 0.000 12.507 ( 0.000 0.000 0.000) 0.000 12.519 ( -0.000 0.000 0.000) 0.000 12.519 ( 0.000 0.000 0.000) 0.000 12.819 ( -0.000 -0.000 0.000) 0.000 12.819 ( -0.000 0.000 0.000) 0.000 12.986 ( 0.000 0.000 0.000) 0.000 12.986 ( 0.000 0.000 0.000) 0.000 13.539 ( -0.000 -0.000 0.000) 0.000 13.539 ( 0.000 -0.000 0.000) 0.000 13.668 ( 0.000 0.000 0.000) 0.000 13.668 ( -0.000 0.000 0.000) 0.000 14.036 ( 0.000 0.000 0.000) 0.000 14.036 ( 0.000 0.000 0.000) 0.000 14.198 ( 0.000 0.000 0.000) 0.000 14.198 ( 0.000 0.000 0.000) 0.000 14.376 ( -0.000 0.000 0.000) 0.000 14.376 ( 0.000 0.000 0.000) 0.000 14.416 ( 0.000 0.000 0.000) 0.000 14.416 ( 0.000 0.000 0.000) 0.000 14.656 ( 0.000 0.000 0.000) 0.000 14.656 ( 0.000 0.000 0.000) 0.000 14.719 ( -0.000 -0.000 0.000) 0.000 14.719 ( 0.000 0.000 0.000) 0.000 15.295 ( -0.000 0.000 0.000) 0.000 15.295 ( -0.000 0.000 0.000) 0.000 15.580 ( 0.000 0.000 0.000) 0.000 15.580 ( 0.000 0.000 0.000) 0.000 15.862 ( -0.000 0.000 0.000) 0.000 15.862 ( 0.000 0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 15.909 ( 0.000 0.000 0.000) 0.000 16.426 ( 0.000 0.000 0.000) 0.000 16.426 ( 0.000 0.000 0.000) 0.000 16.585 ( 0.000 0.000 0.000) 0.000 16.585 ( 0.000 0.000 0.000) 0.000 17.050 ( -0.000 -0.000 0.000) 0.000 17.050 ( -0.000 0.000 0.000) 0.000 17.092 ( 0.000 -0.000 0.000) 0.000 17.092 ( 0.000 0.000 0.000) 0.000 17.417 ( 0.000 0.000 0.000) 0.000 17.417 ( 0.000 0.000 0.000) 0.000 17.591 ( 0.000 0.000 0.000) 0.000 17.591 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 45 (16/75) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.351 ( 0.000 0.000 20.591) 20.591 0.678 ( 0.000 0.000 33.062) 33.062 1.247 ( 0.000 0.000 59.591) 59.591 1.443 ( 0.000 0.000 20.158) 20.158 2.142 ( 0.000 0.000 31.631) 31.631 2.578 ( 0.000 0.000 2.225) 2.225 2.899 ( 0.000 0.000 4.712) 4.712 3.139 ( 0.000 0.000 -2.164) 2.164 3.532 ( 0.000 0.000 2.334) 2.334 3.865 ( 0.000 0.000 0.617) 0.617 3.922 ( 0.000 0.000 0.627) 0.627 3.986 ( 0.000 0.000 1.611) 1.611 4.129 ( 0.000 0.000 -0.786) 0.786 4.154 ( 0.000 0.000 -1.802) 1.802 4.242 ( 0.000 0.000 -0.656) 0.656 4.462 ( 0.000 0.000 2.844) 2.844 4.759 ( 0.000 0.000 8.793) 8.793 5.146 ( 0.000 0.000 4.505) 4.505 5.422 ( 0.000 0.000 -12.978) 12.978 5.628 ( 0.000 0.000 -3.342) 3.342 5.749 ( 0.000 0.000 -1.948) 1.948 5.994 ( 0.000 0.000 -2.772) 2.772 6.560 ( 0.000 0.000 -4.704) 4.704 6.685 ( 0.000 0.000 0.143) 0.143 6.688 ( 0.000 0.000 -15.597) 15.597 6.707 ( 0.000 0.000 -15.466) 15.466 7.140 ( 0.000 0.000 -6.957) 6.957 7.150 ( 0.000 0.000 -6.769) 6.769 7.306 ( 0.000 0.000 -2.253) 2.253 7.388 ( 0.000 0.000 -4.494) 4.494 9.247 ( 0.000 0.000 12.305) 12.305 9.278 ( 0.000 0.000 12.198) 12.198 9.567 ( 0.000 0.000 7.058) 7.058 9.578 ( 0.000 0.000 6.176) 6.176 9.975 ( 0.000 0.000 -22.881) 22.881 10.004 ( 0.000 0.000 -23.413) 23.413 11.881 ( 0.000 0.000 1.231) 1.231 12.129 ( 0.000 0.000 1.702) 1.702 12.251 ( 0.000 0.000 -6.469) 6.469 12.570 ( 0.000 0.000 1.722) 1.722 12.572 ( 0.000 0.000 -4.919) 4.919 12.719 ( 0.000 0.000 -0.337) 0.337 12.830 ( 0.000 0.000 2.194) 2.194 13.055 ( 0.000 0.000 -0.679) 0.679 13.113 ( 0.000 0.000 6.034) 6.034 13.175 ( 0.000 0.000 -0.273) 0.273 13.258 ( 0.000 0.000 7.715) 7.715 13.358 ( 0.000 0.000 -7.666) 7.666 13.485 ( 0.000 0.000 17.177) 17.177 13.489 ( 0.000 0.000 -1.311) 1.311 13.752 ( 0.000 0.000 9.475) 9.475 13.959 ( 0.000 0.000 4.840) 4.840 13.991 ( 0.000 0.000 5.465) 5.465 13.995 ( 0.000 0.000 -10.886) 10.886 14.029 ( 0.000 0.000 3.306) 3.306 14.088 ( 0.000 0.000 0.482) 0.482 14.208 ( 0.000 0.000 0.211) 0.211 14.300 ( 0.000 0.000 12.017) 12.017 14.322 ( 0.000 0.000 -2.183) 2.183 14.397 ( 0.000 0.000 4.496) 4.496 14.410 ( 0.000 0.000 -2.036) 2.036 14.740 ( 0.000 0.000 -14.652) 14.652 14.864 ( 0.000 0.000 11.032) 11.032 15.025 ( 0.000 0.000 -4.243) 4.243 15.109 ( 0.000 0.000 0.898) 0.898 15.134 ( 0.000 0.000 -5.633) 5.633 15.208 ( 0.000 0.000 -6.580) 6.580 15.268 ( 0.000 0.000 -0.695) 0.695 15.314 ( 0.000 0.000 -1.492) 1.492 15.571 ( 0.000 0.000 -0.912) 0.912 15.648 ( 0.000 0.000 -2.238) 2.238 15.722 ( 0.000 0.000 -3.682) 3.682 15.941 ( 0.000 0.000 -6.344) 6.344 16.074 ( 0.000 0.000 -4.759) 4.759 16.120 ( 0.000 0.000 -4.962) 4.962 16.245 ( 0.000 0.000 -7.978) 7.978 16.480 ( 0.000 0.000 2.454) 2.454 16.705 ( 0.000 0.000 3.490) 3.490 16.747 ( 0.000 0.000 8.076) 8.076 17.022 ( 0.000 0.000 5.509) 5.509 17.074 ( 0.000 0.000 8.538) 8.538 17.650 ( 0.000 0.000 -1.131) 1.131 17.692 ( 0.000 0.000 -5.188) 5.188 18.801 ( 0.000 0.000 -4.095) 4.095 ======================= Grid point 46 (17/75) ======================= q-point: ( 0.12 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.416 ( 9.289 0.000 18.727) 20.904 0.979 ( 22.733 0.000 24.458) 33.391 1.716 ( 39.617 0.000 41.077) 57.069 1.852 ( 32.000 0.000 12.111) 34.215 2.336 ( 21.265 0.000 32.503) 38.841 2.619 ( 3.457 0.000 -0.237) 3.465 3.065 ( -0.164 0.000 -2.878) 2.882 3.099 ( 8.410 0.000 -2.970) 8.919 3.502 ( -2.065 0.000 5.399) 5.781 3.813 ( -5.235 0.000 -0.054) 5.235 3.906 ( -19.874 0.000 4.409) 20.357 3.912 ( 0.358 0.000 -0.949) 1.014 3.976 ( 0.650 0.000 5.216) 5.256 4.147 ( -1.276 0.000 0.273) 1.304 4.234 ( -0.361 0.000 1.080) 1.139 4.440 ( -0.380 0.000 0.838) 0.920 4.841 ( 4.250 0.000 5.389) 6.863 5.020 ( -10.905 0.000 4.594) 11.833 5.384 ( -3.566 0.000 -13.417) 13.883 5.604 ( -2.097 0.000 -3.577) 4.146 5.772 ( -0.084 0.000 -6.127) 6.127 5.962 ( -2.125 0.000 -0.055) 2.126 6.317 ( -29.452 0.000 2.650) 29.571 6.502 ( -31.134 0.000 0.455) 31.137 6.524 ( -3.509 0.000 -5.152) 6.234 6.813 ( 6.061 0.000 -10.354) 11.998 6.847 ( 5.244 0.000 -15.293) 16.167 6.871 ( -9.202 0.000 -7.449) 11.839 7.808 ( 24.240 0.000 -10.561) 26.440 7.813 ( 25.738 0.000 -10.741) 27.890 8.835 ( -33.995 0.000 11.336) 35.835 8.842 ( -34.953 0.000 11.164) 36.693 9.585 ( -4.441 0.000 8.546) 9.631 9.602 ( -3.104 0.000 9.234) 9.742 9.936 ( -3.894 0.000 -21.649) 21.997 9.963 ( -3.967 0.000 -21.999) 22.354 11.932 ( 4.894 0.000 0.773) 4.955 12.204 ( 6.565 0.000 0.975) 6.637 12.239 ( -1.065 0.000 -5.431) 5.535 12.556 ( -1.193 0.000 1.530) 1.940 12.608 ( 2.634 0.000 -4.486) 5.202 12.723 ( -8.446 0.000 -2.320) 8.759 12.763 ( 1.737 0.000 -0.126) 1.742 12.945 ( -7.276 0.000 8.343) 11.070 12.961 ( -5.482 0.000 -4.109) 6.851 13.185 ( -6.234 0.000 7.779) 9.969 13.258 ( -6.650 0.000 -7.647) 10.134 13.318 ( -5.961 0.000 15.157) 16.287 13.463 ( -7.343 0.000 12.820) 14.774 13.501 ( 10.929 0.000 4.054) 11.657 13.746 ( 7.239 0.000 1.817) 7.463 13.853 ( -8.159 0.000 -9.944) 12.863 13.928 ( -5.214 0.000 3.593) 6.332 14.059 ( 5.195 0.000 4.371) 6.789 14.117 ( 6.673 0.000 4.980) 8.326 14.188 ( -3.149 0.000 6.969) 7.647 14.203 ( 7.113 0.000 -1.174) 7.209 14.281 ( -4.651 0.000 3.891) 6.064 14.324 ( 6.858 0.000 0.230) 6.862 14.405 ( -2.402 0.000 1.369) 2.765 14.508 ( 5.246 0.000 -0.225) 5.251 14.708 ( 2.660 0.000 -9.288) 9.662 14.753 ( -3.817 0.000 11.436) 12.056 15.019 ( -6.369 0.000 1.377) 6.516 15.028 ( 1.911 0.000 -5.664) 5.978 15.187 ( 3.237 0.000 -5.875) 6.708 15.263 ( 4.436 0.000 -6.079) 7.526 15.331 ( 4.290 0.000 0.922) 4.388 15.370 ( 5.210 0.000 -1.693) 5.478 15.609 ( 0.503 0.000 -0.437) 0.666 15.728 ( 10.741 0.000 -3.937) 11.440 15.983 ( 3.501 0.000 -6.029) 6.972 16.009 ( 1.262 0.000 -9.946) 10.026 16.087 ( 1.342 0.000 -3.833) 4.061 16.267 ( 17.974 0.000 -16.191) 24.192 16.353 ( 9.348 0.000 -10.151) 13.799 16.562 ( 7.443 0.000 0.400) 7.454 16.733 ( 2.704 0.000 2.732) 3.844 16.793 ( 4.398 0.000 6.724) 8.035 17.043 ( 2.002 0.000 5.937) 6.266 17.097 ( 2.676 0.000 8.527) 8.937 17.619 ( -3.022 0.000 -1.000) 3.183 17.681 ( -1.062 0.000 -6.204) 6.294 18.457 ( -21.589 0.000 12.059) 24.728 ======================= Grid point 47 (18/75) ======================= q-point: ( 0.25 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.776 ( 25.484 0.000 13.498) 28.838 1.505 ( 28.671 0.000 16.879) 33.271 2.445 ( 27.024 0.000 12.848) 29.922 2.501 ( 29.503 0.000 18.017) 34.569 2.684 ( 2.147 0.000 -3.865) 4.421 2.951 ( -4.257 0.000 -4.880) 6.476 3.065 ( 46.344 0.000 22.182) 51.379 3.415 ( -27.087 0.000 8.804) 28.482 3.444 ( 16.812 0.000 4.358) 17.368 3.512 ( 9.487 0.000 6.934) 11.751 3.694 ( -5.310 0.000 -5.871) 7.916 3.891 ( -2.004 0.000 -3.501) 4.034 4.060 ( 2.877 0.000 4.999) 5.768 4.111 ( 2.460 0.000 6.466) 6.918 4.247 ( 2.781 0.000 5.763) 6.399 4.451 ( 1.082 0.000 -0.814) 1.353 4.765 ( -13.250 0.000 5.250) 14.252 4.864 ( -1.812 0.000 3.301) 3.766 5.286 ( -6.731 0.000 -13.677) 15.243 5.533 ( -12.150 0.000 -1.102) 12.200 5.624 ( -21.004 0.000 -5.639) 21.748 5.657 ( -24.635 0.000 2.590) 24.771 5.878 ( -16.098 0.000 0.100) 16.099 5.943 ( -5.299 0.000 1.416) 5.485 6.439 ( -4.738 0.000 -4.186) 6.323 6.661 ( -8.311 0.000 -0.570) 8.330 7.070 ( 15.502 0.000 -14.034) 20.910 7.076 ( 15.569 0.000 -14.658) 21.384 7.955 ( -45.474 0.000 8.843) 46.326 7.964 ( -42.791 0.000 8.168) 43.564 8.262 ( 11.278 0.000 -17.522) 20.838 8.276 ( 12.662 0.000 -18.850) 22.708 9.389 ( -12.362 0.000 13.813) 18.537 9.428 ( -11.582 0.000 14.037) 18.199 9.824 ( -7.033 0.000 -18.381) 19.680 9.849 ( -7.151 0.000 -18.545) 19.876 12.068 ( 7.934 0.000 -1.479) 8.071 12.219 ( -0.554 0.000 -3.309) 3.355 12.386 ( 11.147 0.000 1.515) 11.249 12.507 ( -8.339 0.000 -0.916) 8.390 12.533 ( -0.712 0.000 0.787) 1.061 12.660 ( -8.628 0.000 -2.085) 8.876 12.705 ( 2.064 0.000 -5.824) 6.178 12.808 ( -6.322 0.000 11.082) 12.758 12.953 ( -1.729 0.000 -2.384) 2.945 13.032 ( -5.967 0.000 10.084) 11.717 13.074 ( -10.646 0.000 -6.042) 12.242 13.178 ( -3.964 0.000 15.351) 15.855 13.359 ( 0.317 0.000 12.316) 12.320 13.654 ( -9.457 0.000 -6.490) 11.469 13.710 ( 0.605 0.000 -0.488) 0.777 13.856 ( 4.466 0.000 6.924) 8.240 13.987 ( 11.169 0.000 0.312) 11.173 14.129 ( 2.135 0.000 2.213) 3.075 14.162 ( -0.695 0.000 5.892) 5.933 14.184 ( -1.743 0.000 6.175) 6.417 14.237 ( 2.654 0.000 0.145) 2.658 14.276 ( -4.080 0.000 1.355) 4.299 14.342 ( 3.636 0.000 -2.759) 4.564 14.442 ( 4.615 0.000 1.268) 4.786 14.609 ( 3.993 0.000 -0.137) 3.995 14.711 ( -0.994 0.000 6.227) 6.306 14.764 ( -5.234 0.000 -3.064) 6.065 14.982 ( 7.821 0.000 0.820) 7.864 15.097 ( 1.196 0.000 -7.261) 7.358 15.211 ( 1.637 0.000 -2.811) 3.252 15.356 ( 4.134 0.000 -4.531) 6.134 15.419 ( 4.642 0.000 -2.772) 5.407 15.505 ( 7.573 0.000 -3.365) 8.287 15.669 ( 4.605 0.000 2.243) 5.122 15.897 ( 5.057 0.000 -6.382) 8.143 15.983 ( -1.947 0.000 -5.516) 5.850 16.040 ( 2.043 0.000 -3.556) 4.101 16.140 ( 3.697 0.000 -2.991) 4.755 16.507 ( 8.312 0.000 -8.709) 12.039 16.564 ( 7.807 0.000 -14.159) 16.169 16.744 ( 9.735 0.000 -1.128) 9.800 16.824 ( 6.743 0.000 1.068) 6.827 16.899 ( 5.259 0.000 4.086) 6.660 17.098 ( 3.241 0.000 6.406) 7.180 17.195 ( 6.568 0.000 6.013) 8.905 17.537 ( -4.715 0.000 -0.590) 4.752 17.650 ( -1.807 0.000 -5.755) 6.032 18.101 ( -14.189 0.000 9.540) 17.098 ======================= Grid point 48 (19/75) ======================= q-point: ( 0.38 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.391 ( 33.819 0.000 11.155) 35.611 2.110 ( 30.094 0.000 9.513) 31.562 2.698 ( -0.086 0.000 -3.804) 3.805 2.727 ( -0.514 0.000 -1.406) 1.496 2.749 ( -25.671 0.000 9.313) 27.308 2.950 ( -2.449 0.000 0.786) 2.572 3.099 ( 26.168 0.000 15.721) 30.527 3.572 ( 5.445 0.000 3.963) 6.735 3.599 ( 1.466 0.000 -0.903) 1.722 3.833 ( -3.776 0.000 -5.450) 6.631 3.954 ( -4.567 0.000 4.318) 6.285 3.990 ( 36.494 0.000 10.233) 37.901 4.009 ( 15.497 0.000 2.187) 15.651 4.243 ( 4.115 0.000 3.074) 5.137 4.443 ( -5.605 0.000 -2.698) 6.220 4.503 ( -8.181 0.000 8.949) 12.124 4.672 ( 40.303 0.000 15.442) 43.160 4.717 ( -19.096 0.000 9.298) 21.239 4.954 ( -4.807 0.000 2.841) 5.584 5.009 ( -31.080 0.000 4.458) 31.398 5.265 ( -3.716 0.000 -9.025) 9.761 5.570 ( 1.574 0.000 -6.177) 6.374 5.736 ( -1.848 0.000 -6.479) 6.738 5.865 ( -4.459 0.000 -1.788) 4.804 6.316 ( -9.736 0.000 -1.775) 9.897 6.529 ( -4.360 0.000 0.151) 4.363 6.888 ( -54.632 0.000 10.694) 55.669 6.996 ( -43.646 0.000 9.019) 44.568 7.461 ( 20.780 0.000 -12.987) 24.504 7.477 ( 21.470 0.000 -13.573) 25.401 8.317 ( -10.903 0.000 -24.966) 27.243 8.342 ( -10.449 0.000 -25.880) 27.910 9.260 ( 3.007 0.000 12.358) 12.718 9.302 ( 2.507 0.000 12.444) 12.694 9.654 ( -9.729 0.000 -12.281) 15.668 9.679 ( -9.590 0.000 -12.446) 15.713 12.184 ( 2.000 0.000 -4.110) 4.571 12.247 ( 1.965 0.000 -6.783) 7.062 12.413 ( 1.985 0.000 3.472) 4.000 12.492 ( -1.482 0.000 -1.018) 1.798 12.516 ( -4.531 0.000 -2.573) 5.210 12.662 ( 12.192 0.000 1.293) 12.260 12.681 ( -2.966 0.000 5.644) 6.376 12.700 ( -4.594 0.000 10.137) 11.129 12.840 ( -4.387 0.000 10.587) 11.460 12.845 ( -11.590 0.000 -2.806) 11.925 12.971 ( -1.467 0.000 7.893) 8.028 13.220 ( 6.975 0.000 4.735) 8.430 13.360 ( -9.357 0.000 -5.125) 10.669 13.568 ( 7.622 0.000 5.259) 9.260 13.577 ( -8.845 0.000 0.917) 8.892 13.987 ( 3.454 0.000 6.204) 7.101 13.998 ( -8.171 0.000 1.020) 8.234 14.164 ( -0.527 0.000 4.736) 4.765 14.197 ( 4.084 0.000 -1.869) 4.491 14.242 ( 3.278 0.000 5.612) 6.499 14.257 ( 6.685 0.000 4.021) 7.801 14.342 ( 6.286 0.000 -2.170) 6.650 14.365 ( -1.495 0.000 -3.934) 4.208 14.504 ( 2.589 0.000 1.056) 2.796 14.592 ( -9.267 0.000 2.129) 9.508 14.655 ( 0.147 0.000 0.681) 0.697 14.714 ( 1.815 0.000 3.610) 4.040 14.980 ( -9.245 0.000 -1.201) 9.323 15.196 ( 10.405 0.000 -1.117) 10.465 15.344 ( 8.041 0.000 -4.779) 9.354 15.408 ( 0.441 0.000 -2.423) 2.463 15.494 ( 1.831 0.000 -6.214) 6.478 15.661 ( 7.643 0.000 -6.294) 9.901 15.763 ( 4.622 0.000 2.680) 5.342 15.908 ( -3.206 0.000 -8.071) 8.684 15.936 ( -2.991 0.000 -3.725) 4.777 16.109 ( 4.478 0.000 -1.458) 4.710 16.198 ( 1.392 0.000 -2.181) 2.587 16.631 ( 3.966 0.000 -8.447) 9.332 16.660 ( 2.497 0.000 -9.485) 9.808 16.924 ( 7.318 0.000 -0.085) 7.319 16.992 ( 3.653 0.000 2.763) 4.580 16.997 ( 9.200 0.000 0.500) 9.214 17.156 ( 1.872 0.000 5.145) 5.475 17.317 ( 4.636 0.000 2.032) 5.061 17.444 ( -4.093 0.000 -0.018) 4.093 17.626 ( 0.029 0.000 -2.435) 2.435 17.854 ( -10.615 0.000 4.779) 11.642 ======================= Grid point 49 (20/75) ======================= q-point: (-0.50 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.094 ( -34.725 0.000 10.727) 36.344 2.094 ( 34.725 0.000 10.727) 36.344 2.635 ( -15.572 0.000 2.578) 15.784 2.635 ( 15.572 0.000 2.578) 15.784 2.739 ( -7.872 0.000 -2.890) 8.385 2.739 ( 7.872 0.000 -2.890) 8.385 3.670 ( -2.946 0.000 1.935) 3.524 3.670 ( 2.946 0.000 1.935) 3.524 3.782 ( -35.912 0.000 11.519) 37.714 3.782 ( 35.912 0.000 11.519) 37.714 3.797 ( -5.425 0.000 -2.853) 6.129 3.797 ( 5.425 0.000 -2.853) 6.129 4.268 ( -7.066 0.000 5.663) 9.055 4.268 ( 7.066 0.000 5.663) 9.055 4.491 ( -16.595 0.000 6.756) 17.918 4.491 ( 16.595 0.000 6.756) 17.918 4.521 ( -7.242 0.000 -1.059) 7.319 4.521 ( 7.242 0.000 -1.059) 7.319 5.162 ( -10.534 0.000 -0.917) 10.574 5.162 ( 10.534 0.000 -0.917) 10.574 5.652 ( -31.887 0.000 8.368) 32.967 5.652 ( 31.887 0.000 8.368) 32.967 5.835 ( -29.500 0.000 2.120) 29.576 5.835 ( 29.500 0.000 2.120) 29.576 5.851 ( -22.105 0.000 0.427) 22.109 5.851 ( 22.105 0.000 0.427) 22.109 6.515 ( -4.912 0.000 1.249) 5.068 6.515 ( 4.912 0.000 1.249) 5.068 7.926 ( -23.557 0.000 -16.718) 28.886 7.926 ( 23.557 0.000 -16.718) 28.886 7.953 ( -23.931 0.000 -17.499) 29.646 7.953 ( 23.931 0.000 -17.499) 29.646 9.437 ( -11.267 0.000 -2.543) 11.550 9.437 ( 11.267 0.000 -2.543) 11.550 9.468 ( -10.805 0.000 -2.608) 11.115 9.468 ( 10.805 0.000 -2.608) 11.115 12.221 ( -2.211 0.000 -5.368) 5.806 12.221 ( 2.211 0.000 -5.368) 5.806 12.470 ( -0.540 0.000 -2.644) 2.699 12.470 ( 0.540 0.000 -2.644) 2.699 12.575 ( -9.660 0.000 1.528) 9.780 12.575 ( 9.660 0.000 1.528) 9.780 12.668 ( -2.771 0.000 8.909) 9.330 12.668 ( 2.771 0.000 8.909) 9.330 12.795 ( -1.978 0.000 10.697) 10.879 12.795 ( 1.978 0.000 10.697) 10.879 13.098 ( -13.318 0.000 -0.943) 13.351 13.098 ( 13.318 0.000 -0.943) 13.351 13.393 ( -9.191 0.000 0.661) 9.215 13.393 ( 9.191 0.000 0.661) 9.215 13.791 ( -11.601 0.000 2.185) 11.805 13.791 ( 11.601 0.000 2.185) 11.805 14.068 ( -5.575 0.000 5.658) 7.944 14.068 ( 5.575 0.000 5.658) 7.944 14.288 ( -4.369 0.000 -3.196) 5.413 14.288 ( 4.369 0.000 -3.196) 5.413 14.362 ( -3.584 0.000 -0.121) 3.586 14.362 ( 3.584 0.000 -0.121) 3.586 14.411 ( -8.703 0.000 4.652) 9.869 14.411 ( 8.703 0.000 4.652) 9.869 14.607 ( -5.161 0.000 0.340) 5.172 14.607 ( 5.161 0.000 0.340) 5.172 14.800 ( -7.148 0.000 2.436) 7.552 14.800 ( 7.148 0.000 2.436) 7.552 15.359 ( -5.356 0.000 -1.444) 5.547 15.359 ( 5.356 0.000 -1.444) 5.547 15.472 ( -3.999 0.000 -5.479) 6.783 15.472 ( 3.999 0.000 -5.479) 6.783 15.806 ( -6.433 0.000 -8.021) 10.282 15.806 ( 6.433 0.000 -8.021) 10.282 15.858 ( -4.540 0.000 -0.898) 4.628 15.858 ( 4.540 0.000 -0.898) 4.628 16.186 ( -2.531 0.000 -1.463) 2.923 16.186 ( 2.531 0.000 -1.463) 2.923 16.677 ( -0.754 0.000 -8.354) 8.388 16.677 ( 0.754 0.000 -8.354) 8.388 17.018 ( -1.693 0.000 1.367) 2.176 17.018 ( 1.693 0.000 1.367) 2.176 17.141 ( -4.056 0.000 2.199) 4.614 17.141 ( 4.056 0.000 2.199) 4.614 17.381 ( -2.361 0.000 0.467) 2.407 17.381 ( 2.361 0.000 0.467) 2.407 17.681 ( -5.880 0.000 1.522) 6.074 17.681 ( 5.880 0.000 1.522) 6.074 ======================= Grid point 54 (21/75) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( 0.000 10.461 28.303) 30.174 1.025 ( 0.000 29.722 16.365) 33.930 1.335 ( 0.000 -8.971 20.395) 22.280 1.569 ( 0.000 31.234 38.903) 49.889 1.946 ( 0.000 -15.072 29.843) 33.433 2.640 ( 0.000 4.846 2.963) 5.680 2.862 ( 0.000 -3.244 4.550) 5.588 3.157 ( 0.000 -11.596 -4.880) 12.581 3.429 ( 0.000 -0.821 11.335) 11.365 3.814 ( 0.000 -7.991 8.816) 11.899 3.896 ( 0.000 2.702 0.538) 2.755 3.924 ( 0.000 -1.306 -2.838) 3.124 4.071 ( 0.000 -7.000 2.366) 7.389 4.093 ( 0.000 -4.675 -0.819) 4.746 4.277 ( 0.000 6.521 -0.483) 6.539 4.526 ( 0.000 -0.413 -3.722) 3.745 4.835 ( 0.000 5.908 7.521) 9.564 5.102 ( 0.000 -3.893 4.841) 6.212 5.500 ( 0.000 4.332 -15.601) 16.191 5.607 ( 0.000 -0.868 -8.506) 8.551 5.825 ( 0.000 4.050 -0.172) 4.054 5.957 ( 0.000 -2.409 -2.856) 3.736 6.690 ( 0.000 0.243 -15.579) 15.581 6.704 ( 0.000 -0.238 -15.486) 15.488 6.780 ( 0.000 9.819 -7.833) 12.561 6.936 ( 0.000 14.022 -27.008) 30.431 7.142 ( 0.000 0.118 -6.928) 6.929 7.149 ( 0.000 -0.128 -6.795) 6.796 7.322 ( 0.000 2.509 -4.226) 4.915 7.396 ( 0.000 0.554 -5.625) 5.652 9.252 ( 0.000 0.390 12.289) 12.295 9.273 ( 0.000 -0.380 12.213) 12.219 9.569 ( 0.000 0.175 6.922) 6.924 9.578 ( 0.000 -0.071 6.149) 6.149 9.980 ( 0.000 0.381 -22.963) 22.967 10.000 ( 0.000 -0.323 -23.334) 23.337 11.912 ( 0.000 2.647 1.309) 2.954 12.085 ( 0.000 -3.555 1.657) 3.922 12.290 ( 0.000 3.325 -5.624) 6.534 12.502 ( 0.000 -4.558 -0.730) 4.616 12.600 ( 0.000 1.753 -3.535) 3.945 12.697 ( 0.000 -1.765 -1.112) 2.087 12.869 ( 0.000 3.113 1.742) 3.567 13.020 ( 0.000 -2.574 0.111) 2.576 13.141 ( 0.000 1.980 5.884) 6.208 13.206 ( 0.000 2.355 0.634) 2.439 13.238 ( 0.000 -1.651 7.509) 7.689 13.374 ( 0.000 -3.852 1.239) 4.047 13.538 ( 0.000 3.068 14.112) 14.442 13.576 ( 0.000 10.914 -17.344) 20.492 13.704 ( 0.000 -3.519 11.559) 12.083 13.945 ( 0.000 -4.130 -12.640) 13.297 13.965 ( 0.000 0.441 4.924) 4.944 13.987 ( 0.000 -0.357 5.350) 5.362 14.102 ( 0.000 1.217 0.458) 1.300 14.102 ( 0.000 4.952 2.750) 5.664 14.185 ( 0.000 -1.816 0.258) 1.835 14.293 ( 0.000 -2.140 7.653) 7.947 14.340 ( 0.000 1.363 -2.149) 2.544 14.400 ( 0.000 -0.895 -2.067) 2.252 14.439 ( 0.000 4.828 6.525) 8.117 14.707 ( 0.000 -3.913 -2.705) 4.757 14.836 ( 0.000 -0.028 0.349) 0.351 14.949 ( 0.000 -3.391 -4.684) 5.783 15.141 ( 0.000 0.584 -5.549) 5.579 15.190 ( 0.000 -1.303 -5.757) 5.903 15.282 ( 0.000 0.915 -1.492) 1.750 15.298 ( 0.000 10.738 -3.560) 11.312 15.312 ( 0.000 -0.231 -1.589) 1.605 15.583 ( 0.000 0.961 -1.100) 1.461 15.637 ( 0.000 -0.932 -2.035) 2.238 15.666 ( 0.000 -4.795 -3.642) 6.021 15.978 ( 0.000 3.106 -6.212) 6.945 16.082 ( 0.000 0.618 -4.808) 4.848 16.114 ( 0.000 -0.526 -4.949) 4.977 16.180 ( 0.000 -4.737 -6.538) 8.073 16.529 ( 0.000 3.699 1.898) 4.157 16.684 ( 0.000 -1.895 3.131) 3.660 16.816 ( 0.000 5.361 7.742) 9.417 17.003 ( 0.000 -1.600 4.398) 4.680 17.091 ( 0.000 1.631 10.570) 10.695 17.433 ( 0.000 -12.587 8.068) 14.951 17.833 ( 0.000 6.774 -1.552) 6.950 18.374 ( 0.000 -23.350 17.575) 29.225 ======================= Grid point 55 (22/75) ======================= q-point: ( 0.12 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.068 ( 13.882 22.193 13.719) 29.554 1.177 ( 14.850 26.740 11.837) 32.797 1.704 ( 27.702 -10.346 12.855) 32.244 1.892 ( 31.983 16.014 36.406) 51.037 2.138 ( 20.235 -14.702 27.918) 37.483 2.714 ( 7.467 7.070 1.122) 10.344 3.016 ( 11.887 -5.676 0.032) 13.172 3.111 ( -1.843 -8.278 -2.464) 8.832 3.417 ( -0.887 -1.019 12.393) 12.466 3.750 ( -7.554 -5.558 4.459) 10.385 3.883 ( -1.897 -3.059 0.649) 3.658 3.911 ( -4.911 -0.345 1.452) 5.133 3.947 ( -4.197 0.831 2.404) 4.908 4.112 ( 0.054 -5.199 0.398) 5.215 4.221 ( -3.212 4.730 2.523) 6.250 4.489 ( -2.647 -0.372 -1.798) 3.221 4.874 ( 1.413 2.758 4.334) 5.328 4.992 ( -9.148 -1.638 4.307) 10.244 5.443 ( -4.675 4.047 -13.715) 15.044 5.581 ( -2.584 -1.651 -7.883) 8.458 5.823 ( -1.135 3.050 -3.241) 4.593 5.927 ( -2.279 -2.247 -1.209) 3.421 6.356 ( -31.257 2.962 1.266) 31.422 6.468 ( -31.074 -1.502 -0.380) 31.112 6.738 ( -8.617 10.188 -14.200) 19.486 6.828 ( 5.339 0.424 -14.135) 15.115 6.860 ( 1.072 2.681 -13.944) 14.240 6.911 ( -10.354 3.276 -7.012) 12.927 7.809 ( 24.623 0.063 -10.656) 26.830 7.812 ( 25.226 -0.044 -10.624) 27.372 8.836 ( -34.120 0.119 11.276) 35.935 8.841 ( -34.801 -0.062 11.178) 36.552 9.588 ( -4.278 0.253 8.597) 9.605 9.600 ( -3.305 -0.195 9.118) 9.700 9.940 ( -3.910 0.366 -21.695) 22.048 9.960 ( -3.961 -0.321 -21.944) 22.301 11.965 ( 5.110 2.851 0.902) 5.921 12.153 ( 6.235 -4.008 1.258) 7.519 12.276 ( -1.196 3.193 -4.632) 5.752 12.489 ( -1.157 -4.798 -0.288) 4.944 12.634 ( 2.383 1.776 -3.248) 4.402 12.718 ( -1.982 -1.093 -0.978) 2.466 12.782 ( -4.790 2.244 -2.366) 5.795 12.925 ( -5.530 -2.622 -3.518) 7.059 12.986 ( -7.012 3.058 7.774) 10.906 13.150 ( -5.899 -2.815 7.919) 10.268 13.325 ( -4.252 1.863 11.975) 12.844 13.399 ( -12.726 7.248 -6.211) 15.908 13.430 ( -1.755 -0.715 9.373) 9.562 13.524 ( 6.566 1.487 4.875) 8.312 13.684 ( 4.912 -3.579 3.842) 7.190 13.797 ( -9.476 -4.482 -10.124) 14.573 13.997 ( -1.191 3.815 3.153) 5.090 14.074 ( 3.767 0.841 3.659) 5.318 14.100 ( 5.150 -0.341 5.045) 7.218 14.205 ( 2.489 0.037 2.987) 3.888 14.258 ( 0.099 1.892 4.620) 4.993 14.262 ( -0.521 1.039 -0.663) 1.338 14.307 ( 5.587 -0.817 1.097) 5.752 14.409 ( -1.097 -0.313 1.079) 1.570 14.513 ( 3.602 1.338 1.258) 4.043 14.688 ( 1.027 -2.958 3.315) 4.560 14.758 ( -1.449 1.626 -1.677) 2.749 14.911 ( -1.473 -4.488 -4.501) 6.524 15.161 ( -2.954 5.288 -1.939) 6.360 15.192 ( 1.585 0.880 -4.844) 5.172 15.247 ( 3.502 -0.570 -4.208) 5.504 15.342 ( 3.113 0.215 -0.673) 3.192 15.373 ( 6.060 0.604 -1.422) 6.254 15.524 ( 0.822 -5.104 0.161) 5.172 15.826 ( 11.741 5.914 -7.013) 14.900 15.981 ( 1.867 -0.792 -9.771) 9.979 16.028 ( 4.422 2.165 -6.552) 8.196 16.114 ( 3.344 2.460 -3.846) 5.659 16.227 ( 17.654 -3.819 -14.401) 23.100 16.285 ( 8.083 -4.578 -6.954) 11.604 16.593 ( 6.074 2.491 0.384) 6.576 16.714 ( 2.927 -1.688 2.293) 4.084 16.859 ( 3.956 4.927 5.461) 8.351 17.021 ( 1.792 -1.695 4.759) 5.360 17.121 ( 3.403 2.307 10.264) 11.057 17.453 ( 1.431 -10.220 3.456) 10.883 17.794 ( -3.554 6.027 -1.669) 7.193 18.228 ( -11.337 -14.942 15.131) 24.098 ======================= Grid point 56 (23/75) ======================= q-point: ( 0.25 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.298 ( 13.856 34.199 5.113) 37.252 1.617 ( 26.026 10.085 15.156) 31.761 2.203 ( 22.224 -15.000 9.351) 28.396 2.520 ( 10.273 -11.699 5.108) 16.386 2.621 ( 27.477 3.859 18.360) 33.272 2.969 ( 10.984 6.373 -4.274) 13.399 3.213 ( 25.058 1.718 15.719) 29.630 3.374 ( 11.415 -4.865 3.871) 12.998 3.419 ( 1.744 -1.322 10.340) 10.569 3.500 ( -3.924 0.868 7.024) 8.093 3.705 ( -6.777 1.970 -5.088) 8.700 3.869 ( -0.225 -2.165 -1.932) 2.911 4.018 ( 6.400 -2.819 6.199) 9.346 4.085 ( -3.178 -1.428 1.089) 3.650 4.197 ( 2.836 -1.093 9.122) 9.615 4.436 ( -2.844 -4.454 1.825) 5.591 4.764 ( -9.391 2.625 2.695) 10.116 4.885 ( -2.539 0.384 2.940) 3.903 5.330 ( -7.692 3.385 -12.914) 15.407 5.496 ( -8.929 -3.033 -7.530) 12.068 5.644 ( -32.530 2.172 3.892) 32.834 5.691 ( -19.660 1.661 0.535) 19.737 5.859 ( -13.913 -1.278 -1.203) 14.023 5.901 ( -5.006 -2.769 -0.487) 5.742 6.537 ( -8.250 6.745 -4.721) 11.655 6.677 ( -9.449 0.799 -2.003) 9.692 7.071 ( 15.444 0.135 -14.092) 20.908 7.076 ( 15.437 -0.012 -14.397) 21.109 7.956 ( -44.984 0.107 8.680) 45.814 7.963 ( -43.077 -0.109 8.188) 43.849 8.264 ( 11.404 0.224 -17.662) 21.025 8.275 ( 12.389 -0.145 -18.585) 22.336 9.395 ( -12.260 0.503 13.828) 18.488 9.423 ( -11.706 -0.481 13.990) 18.248 9.828 ( -7.050 0.333 -18.398) 19.705 9.846 ( -7.133 -0.295 -18.516) 19.844 12.106 ( 8.138 3.260 -1.212) 8.850 12.254 ( -0.601 3.030 -2.732) 4.124 12.320 ( 9.478 -4.780 0.698) 10.638 12.466 ( -0.753 -4.955 -0.189) 5.015 12.538 ( -7.377 2.082 -0.499) 7.681 12.634 ( -7.969 -1.861 -0.818) 8.225 12.744 ( 1.397 2.940 -4.984) 5.953 12.853 ( -5.719 2.967 9.211) 11.240 12.918 ( -0.882 -2.520 -2.239) 3.484 13.006 ( -6.773 -1.945 9.762) 12.040 13.147 ( -10.564 4.560 -1.841) 11.652 13.199 ( -4.526 1.798 11.632) 12.611 13.354 ( -0.595 0.353 10.400) 10.423 13.584 ( -8.570 -5.534 -5.868) 11.769 13.726 ( 2.378 1.146 0.870) 2.780 13.817 ( 6.899 -2.695 5.141) 9.016 14.008 ( 4.871 1.954 2.053) 5.636 14.131 ( 0.829 -0.863 2.503) 2.775 14.139 ( -2.994 -0.932 3.844) 4.961 14.174 ( 2.234 -0.970 4.602) 5.207 14.299 ( -0.027 4.057 3.277) 5.216 14.314 ( 0.527 3.218 1.521) 3.598 14.365 ( 3.275 1.805 -2.725) 4.627 14.426 ( 4.683 -1.399 1.928) 5.254 14.578 ( 1.766 -1.855 -0.278) 2.576 14.672 ( -2.006 -3.151 4.901) 6.162 14.802 ( -1.561 2.686 -3.630) 4.778 14.941 ( 6.095 -2.980 -3.371) 7.576 15.133 ( -0.129 2.452 -2.422) 3.449 15.209 ( 1.007 -0.336 -1.922) 2.196 15.329 ( 4.370 -1.005 -4.024) 6.025 15.405 ( 4.657 -2.197 -4.296) 6.706 15.529 ( 8.202 2.051 -1.687) 8.621 15.623 ( 6.916 -2.468 1.074) 7.421 15.935 ( 0.515 1.496 -7.368) 7.536 15.967 ( -1.758 -0.768 -6.715) 6.983 16.136 ( 5.670 7.496 -3.852) 10.157 16.195 ( 4.131 4.745 -2.860) 6.910 16.455 ( 7.758 -4.597 -7.326) 11.619 16.504 ( 8.313 -4.624 -12.542) 15.741 16.755 ( 9.276 0.925 -1.129) 9.390 16.812 ( 7.041 -1.031 0.415) 7.128 16.948 ( 4.313 3.455 3.216) 6.394 17.074 ( 3.201 -1.877 5.245) 6.424 17.231 ( 6.689 3.167 6.223) 9.669 17.468 ( -0.303 -5.124 -0.528) 5.160 17.706 ( -4.683 4.018 -1.872) 6.448 17.998 ( -10.837 -7.817 9.142) 16.191 ======================= Grid point 57 (24/75) ======================= q-point: ( 0.38 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.689 ( 24.029 22.448 7.052) 33.631 2.162 ( 25.103 4.775 8.190) 26.833 2.555 ( 1.106 -10.531 0.455) 10.599 2.582 ( 9.802 -9.537 -0.636) 13.691 2.914 ( -4.284 8.043 6.507) 11.198 2.976 ( -11.985 7.063 8.104) 16.100 3.224 ( 14.082 5.812 8.574) 17.481 3.478 ( 5.434 -9.078 3.521) 11.151 3.577 ( 1.839 -1.406 -0.031) 2.315 3.706 ( 0.108 -7.730 -4.011) 8.709 3.947 ( 5.190 -0.416 4.078) 6.613 3.970 ( -0.512 0.600 3.639) 3.724 4.095 ( 14.739 2.003 4.612) 15.573 4.162 ( 13.561 -4.569 0.879) 14.337 4.389 ( 6.129 -1.517 10.238) 12.029 4.578 ( 6.933 -0.207 4.263) 8.142 4.645 ( 23.176 2.869 12.673) 26.570 4.793 ( -15.062 4.739 8.117) 17.754 4.919 ( -11.295 -3.158 2.708) 12.036 4.982 ( -26.451 -2.208 4.368) 26.900 5.325 ( -2.752 4.710 -8.064) 9.736 5.538 ( 0.666 -2.906 -5.538) 6.290 5.738 ( -2.468 0.498 -6.997) 7.436 5.828 ( -3.882 -2.737 -3.245) 5.753 6.373 ( -11.046 4.263 -1.002) 11.882 6.520 ( -7.353 -1.129 0.216) 7.442 6.909 ( -51.444 1.726 10.111) 52.457 6.986 ( -44.114 -0.931 8.975) 45.027 7.464 ( 20.883 0.203 -13.068) 24.636 7.475 ( 21.362 -0.175 -13.477) 25.259 8.321 ( -10.838 0.344 -25.091) 27.333 8.339 ( -10.516 -0.294 -25.735) 27.802 9.266 ( 2.927 0.525 12.359) 12.712 9.296 ( 2.572 -0.529 12.417) 12.691 9.658 ( -9.701 0.336 -12.294) 15.664 9.676 ( -9.604 -0.288 -12.414) 15.698 12.220 ( 1.712 3.055 -3.786) 5.157 12.280 ( 1.474 2.829 -6.517) 7.256 12.413 ( 1.538 -0.746 0.797) 1.886 12.431 ( -1.035 -4.482 -2.125) 5.066 12.505 ( -2.547 -0.326 -0.385) 2.596 12.589 ( 8.703 -3.716 5.301) 10.847 12.712 ( -3.476 1.920 6.314) 7.459 12.759 ( -3.432 3.260 6.804) 8.288 12.810 ( -5.647 -1.225 9.763) 11.345 12.905 ( -6.386 0.355 2.391) 6.828 12.969 ( -4.343 2.858 2.656) 5.838 13.202 ( 0.238 -2.584 0.049) 2.595 13.359 ( -2.184 1.129 -0.394) 2.490 13.519 ( 6.348 -3.426 5.089) 8.828 13.643 ( -6.180 4.807 1.278) 7.933 13.913 ( -2.971 -4.964 1.894) 6.087 14.039 ( -0.543 1.860 4.763) 5.142 14.122 ( 1.502 -2.572 4.053) 5.029 14.194 ( 3.614 -0.012 0.780) 3.697 14.231 ( 3.936 -1.239 3.400) 5.347 14.279 ( 2.254 3.076 3.678) 5.298 14.371 ( 0.656 1.752 -1.608) 2.467 14.412 ( 0.553 2.187 -2.268) 3.199 14.505 ( 4.627 -0.721 1.684) 4.976 14.544 ( -4.671 -2.159 1.778) 5.445 14.646 ( -0.148 -1.646 0.975) 1.919 14.744 ( -1.710 3.004 1.460) 3.752 14.932 ( -7.520 -3.815 -1.433) 8.553 15.203 ( 7.338 0.697 -0.777) 7.412 15.292 ( 4.109 -3.287 -1.768) 5.551 15.426 ( 5.059 1.473 -5.161) 7.376 15.496 ( 3.304 -0.726 -5.067) 6.093 15.681 ( 6.737 1.846 -4.548) 8.335 15.751 ( 5.318 -0.857 0.551) 5.415 15.906 ( -3.043 -0.090 -7.297) 7.906 15.921 ( -2.696 -0.764 -4.983) 5.717 16.222 ( 3.110 8.221 -2.599) 9.166 16.262 ( 1.956 5.170 -2.560) 6.092 16.576 ( 4.116 -4.636 -7.188) 9.492 16.604 ( 2.554 -4.615 -8.205) 9.754 16.935 ( 7.571 0.803 -0.509) 7.630 16.978 ( 7.578 -0.833 -0.192) 7.626 17.032 ( 4.311 2.318 2.898) 5.689 17.134 ( 2.199 -1.749 4.327) 5.160 17.348 ( 4.181 2.434 1.859) 5.183 17.442 ( -1.922 -0.457 0.281) 1.996 17.630 ( -2.086 0.818 -1.238) 2.560 17.795 ( -9.060 -4.635 4.567) 11.154 ======================= Grid point 58 (25/75) ======================= q-point: (-0.50 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.191 ( -22.047 6.759 7.396) 24.217 2.191 ( 22.047 6.759 7.396) 24.217 2.682 ( -1.518 -3.312 -2.878) 4.643 2.682 ( 1.518 -3.312 -2.878) 4.643 2.777 ( -14.349 11.453 4.917) 19.006 2.777 ( 14.349 11.453 4.917) 19.006 3.533 ( -9.182 -12.275 1.117) 15.370 3.533 ( 9.182 -12.275 1.117) 15.370 3.740 ( -6.524 -1.511 9.268) 11.434 3.740 ( 6.524 -1.511 9.268) 11.434 3.818 ( -9.936 -0.190 -0.220) 9.940 3.818 ( 9.936 -0.190 -0.220) 9.940 4.252 ( -9.744 0.973 5.778) 11.370 4.252 ( 9.744 0.973 5.778) 11.370 4.419 ( -18.444 -3.725 3.606) 19.159 4.419 ( 18.444 -3.725 3.606) 19.159 4.638 ( -4.085 5.486 1.712) 7.051 4.638 ( 4.085 5.486 1.712) 7.051 5.180 ( -9.093 1.238 0.826) 9.214 5.180 ( 9.093 1.238 0.826) 9.214 5.621 ( -24.600 -2.048 5.400) 25.269 5.621 ( 24.600 -2.048 5.400) 25.269 5.796 ( -9.798 -2.025 1.745) 10.156 5.796 ( 9.798 -2.025 1.745) 10.156 5.885 ( -2.061 1.588 2.819) 3.836 5.885 ( 2.061 1.588 2.819) 3.836 6.532 ( -3.267 1.152 0.994) 3.604 6.532 ( 3.267 1.152 0.994) 3.604 7.930 ( -21.717 0.268 -16.974) 27.564 7.930 ( 21.717 0.268 -16.974) 27.564 7.950 ( -21.979 -0.230 -17.228) 27.928 7.950 ( 21.979 -0.230 -17.228) 27.928 9.439 ( -9.053 0.156 -2.623) 9.426 9.439 ( 9.053 0.156 -2.623) 9.426 9.466 ( -8.726 -0.131 -2.534) 9.088 9.466 ( 8.726 -0.131 -2.534) 9.088 12.251 ( -2.031 2.638 -5.109) 6.098 12.251 ( 2.031 2.638 -5.109) 6.098 12.419 ( -0.513 -3.617 -3.347) 4.955 12.419 ( 0.513 -3.617 -3.347) 4.955 12.617 ( -8.545 2.540 4.561) 10.013 12.617 ( 8.545 2.540 4.561) 10.013 12.672 ( -2.416 0.255 9.015) 9.336 12.672 ( 2.416 0.255 9.014) 9.336 12.798 ( -3.041 0.517 7.039) 7.685 12.798 ( 3.041 0.517 7.039) 7.685 13.048 ( -10.211 -3.556 -0.254) 10.815 13.048 ( 10.211 -3.556 -0.254) 10.815 13.460 ( -8.252 5.120 1.037) 9.766 13.460 ( 8.252 5.120 1.037) 9.766 13.745 ( -10.585 -3.792 1.450) 11.337 13.745 ( 10.585 -3.792 1.450) 11.337 14.082 ( -3.539 1.113 5.513) 6.645 14.082 ( 3.539 1.113 5.513) 6.645 14.264 ( -2.163 -1.687 0.209) 2.751 14.264 ( 2.163 -1.687 0.209) 2.751 14.365 ( -4.122 0.684 -0.467) 4.204 14.365 ( 4.122 0.684 -0.467) 4.204 14.414 ( -5.736 -0.288 2.590) 6.300 14.414 ( 5.736 -0.288 2.590) 6.300 14.628 ( -3.232 1.431 -0.185) 3.539 14.628 ( 3.232 1.431 -0.185) 3.539 14.773 ( -5.826 -1.925 2.425) 6.597 14.773 ( 5.826 -1.925 2.425) 6.597 15.312 ( -2.453 -2.548 -1.416) 3.809 15.312 ( 2.453 -2.548 -1.416) 3.809 15.509 ( -2.236 1.826 -4.624) 5.452 15.509 ( 2.236 1.826 -4.624) 5.452 15.799 ( -3.932 -0.358 -6.656) 7.738 15.799 ( 3.932 -0.358 -6.656) 7.738 15.862 ( -2.362 0.194 -2.861) 3.715 15.862 ( 2.362 0.194 -2.861) 3.715 16.268 ( -1.217 6.422 -2.258) 6.916 16.268 ( 1.217 6.422 -2.258) 6.916 16.623 ( -0.618 -4.537 -7.125) 8.469 16.623 ( 0.618 -4.537 -7.125) 8.469 17.031 ( -1.570 0.950 0.833) 2.015 17.031 ( 1.570 0.950 0.833) 2.015 17.131 ( -3.219 -0.766 2.103) 3.920 17.131 ( 3.219 -0.766 2.103) 3.920 17.403 ( -1.884 1.711 0.763) 2.657 17.403 ( 1.884 1.711 0.763) 2.657 17.651 ( -4.507 -2.308 1.459) 5.270 17.651 ( 4.507 -2.308 1.459) 5.270 ======================= Grid point 63 (26/75) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( 0.000 -12.726 22.644) 25.975 1.082 ( 0.000 12.726 22.644) 25.975 1.535 ( 0.000 -19.731 28.970) 35.051 1.535 ( 0.000 19.731 28.970) 35.051 2.468 ( 0.000 -40.831 9.001) 41.811 2.468 ( 0.000 40.831 9.001) 41.811 2.761 ( 0.000 -5.404 3.992) 6.719 2.761 ( 0.000 5.404 3.992) 6.719 3.610 ( 0.000 -10.360 9.794) 14.257 3.610 ( 0.000 10.360 9.794) 14.257 3.949 ( 0.000 -3.442 -0.061) 3.443 3.949 ( 0.000 3.442 -0.061) 3.443 3.981 ( 0.000 -4.739 0.171) 4.742 3.981 ( 0.000 4.739 0.171) 4.742 4.434 ( 0.000 -6.543 -1.310) 6.673 4.434 ( 0.000 6.543 -1.310) 6.673 4.982 ( 0.000 -6.449 5.853) 8.709 4.982 ( 0.000 6.449 5.853) 8.709 5.576 ( 0.000 -2.334 -12.820) 13.031 5.576 ( 0.000 2.334 -12.820) 13.031 5.898 ( 0.000 -2.772 -1.113) 2.987 5.898 ( 0.000 2.772 -1.113) 2.987 6.697 ( 0.000 -0.340 -15.534) 15.538 6.697 ( 0.000 0.340 -15.534) 15.538 6.982 ( 0.000 -6.261 -16.748) 17.880 6.982 ( 0.000 6.261 -16.748) 17.880 7.145 ( 0.000 -0.174 -6.860) 6.862 7.145 ( 0.000 0.174 -6.860) 6.862 7.392 ( 0.000 -1.647 -9.065) 9.213 7.392 ( 0.000 1.647 -9.065) 9.213 9.263 ( 0.000 -0.544 12.251) 12.263 9.263 ( 0.000 0.544 12.251) 12.263 9.574 ( 0.000 -0.256 6.520) 6.525 9.574 ( 0.000 0.256 6.520) 6.525 9.990 ( 0.000 -0.494 -23.147) 23.152 9.990 ( 0.000 0.494 -23.147) 23.152 11.992 ( 0.000 -4.224 1.494) 4.481 11.992 ( 0.000 4.224 1.494) 4.481 12.389 ( 0.000 -5.126 -3.417) 6.160 12.389 ( 0.000 5.126 -3.417) 6.160 12.649 ( 0.000 -2.402 -2.617) 3.552 12.649 ( 0.000 2.402 -2.617) 3.552 12.949 ( 0.000 -3.629 0.821) 3.721 12.949 ( 0.000 3.629 0.821) 3.721 13.191 ( 0.000 -2.363 6.799) 7.198 13.191 ( 0.000 2.363 6.799) 7.198 13.278 ( 0.000 -4.013 1.294) 4.217 13.278 ( 0.000 4.013 1.294) 4.217 13.614 ( 0.000 -3.851 12.423) 13.006 13.614 ( 0.000 3.851 12.423) 13.006 13.808 ( 0.000 -8.229 -16.049) 18.036 13.808 ( 0.000 8.229 -16.049) 18.036 13.976 ( 0.000 -0.532 5.121) 5.148 13.976 ( 0.000 0.532 5.121) 5.148 14.139 ( 0.000 -2.025 0.384) 2.061 14.139 ( 0.000 2.025 0.384) 2.061 14.212 ( 0.000 -4.563 4.181) 6.189 14.212 ( 0.000 4.563 4.181) 6.189 14.373 ( 0.000 -1.453 -2.120) 2.570 14.373 ( 0.000 1.453 -2.120) 2.570 14.580 ( 0.000 -6.699 5.833) 8.883 14.580 ( 0.000 6.699 5.833) 8.883 14.876 ( 0.000 -2.900 -6.371) 7.000 14.876 ( 0.000 2.900 -6.371) 7.000 15.161 ( 0.000 -1.167 -5.446) 5.569 15.161 ( 0.000 1.167 -5.446) 5.569 15.301 ( 0.000 -0.735 -1.741) 1.889 15.301 ( 0.000 0.735 -1.741) 1.889 15.517 ( 0.000 -8.403 -4.356) 9.465 15.517 ( 0.000 8.403 -4.356) 9.465 15.610 ( 0.000 -1.342 -1.560) 2.058 15.610 ( 0.000 1.342 -1.560) 2.058 16.069 ( 0.000 -4.779 -5.959) 7.639 16.069 ( 0.000 4.779 -5.959) 7.639 16.099 ( 0.000 -0.805 -4.896) 4.962 16.099 ( 0.000 0.805 -4.896) 4.962 16.619 ( 0.000 -3.823 2.455) 4.544 16.619 ( 0.000 3.823 2.455) 4.544 16.941 ( 0.000 -4.512 4.465) 6.348 16.941 ( 0.000 4.512 4.465) 6.348 17.182 ( 0.000 -7.806 16.136) 17.925 17.182 ( 0.000 7.806 16.136) 17.925 18.013 ( 0.000 -10.388 7.536) 12.834 18.013 ( 0.000 10.388 7.536) 12.834 ======================= Grid point 65 (27/75) ======================= q-point: ( 0.12 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.409 ( 22.508 -14.581 13.865) 30.191 1.409 ( 22.508 14.581 13.865) 30.191 1.757 ( 20.131 -19.334 19.745) 34.189 1.757 ( 20.131 19.334 19.745) 34.189 2.515 ( 7.823 -34.182 14.332) 37.882 2.515 ( 7.823 34.182 14.332) 37.882 2.885 ( 11.638 -7.424 1.839) 13.927 2.885 ( 11.638 7.424 1.839) 13.927 3.575 ( -3.874 -9.421 9.088) 13.651 3.575 ( -3.874 9.421 9.088) 13.651 3.876 ( -4.567 -1.635 1.152) 4.986 3.876 ( -4.567 1.635 1.152) 4.986 4.003 ( 0.384 -3.973 0.416) 4.013 4.003 ( 0.384 3.973 0.416) 4.013 4.381 ( -4.615 -7.608 0.515) 8.913 4.381 ( -4.615 7.608 0.515) 8.913 4.945 ( -3.669 -2.875 3.635) 5.912 4.945 ( -3.669 2.875 3.636) 5.912 5.528 ( -4.250 -3.213 -11.856) 12.998 5.528 ( -4.250 3.213 -11.856) 12.998 5.879 ( -1.973 -2.089 -1.822) 3.402 5.879 ( -1.973 2.089 -1.822) 3.402 6.423 ( -32.485 -2.608 -0.106) 32.589 6.423 ( -32.485 2.608 -0.106) 32.589 6.822 ( 4.331 -0.834 -15.914) 16.513 6.822 ( 4.331 0.834 -15.914) 16.513 6.953 ( -12.965 -1.408 -12.201) 17.859 6.953 ( -12.965 1.408 -12.201) 17.859 7.810 ( 24.791 -0.083 -10.654) 26.983 7.810 ( 24.791 0.083 -10.654) 26.983 8.839 ( -34.446 -0.108 11.211) 36.225 8.839 ( -34.446 0.108 11.211) 36.225 9.594 ( -3.800 -0.297 8.835) 9.623 9.594 ( -3.800 0.297 8.835) 9.623 9.950 ( -3.941 -0.483 -21.815) 22.173 9.950 ( -3.941 0.483 -21.815) 22.173 12.052 ( 5.628 -4.556 1.192) 7.338 12.052 ( 5.628 4.556 1.192) 7.338 12.372 ( -1.349 -5.114 -2.628) 5.906 12.372 ( -1.349 5.114 -2.628) 5.906 12.679 ( 1.350 -2.069 -1.794) 3.053 12.679 ( 1.350 2.069 -1.794) 3.053 12.852 ( -6.756 -3.557 -3.643) 8.460 12.852 ( -6.756 3.557 -3.643) 8.460 13.070 ( -5.912 -4.007 8.116) 10.811 13.070 ( -5.912 4.007 8.116) 10.811 13.371 ( -3.885 -2.312 12.389) 13.189 13.371 ( -3.885 2.312 12.389) 13.189 13.550 ( -0.531 -0.864 -1.499) 1.810 13.550 ( -0.531 0.864 -1.499) 1.810 13.672 ( -5.727 -4.893 -5.051) 9.069 13.672 ( -5.727 4.893 -5.051) 9.069 14.057 ( 4.360 -1.649 4.546) 6.511 14.057 ( 4.360 1.649 4.546) 6.511 14.152 ( -1.811 -3.724 2.590) 4.884 14.152 ( -1.811 3.724 2.590) 4.884 14.267 ( 5.749 -1.325 1.940) 6.211 14.267 ( 5.749 1.325 1.940) 6.211 14.367 ( 0.105 -3.310 -0.641) 3.373 14.367 ( 0.105 3.310 -0.641) 3.373 14.591 ( 1.118 -4.911 5.880) 7.742 14.591 ( 1.118 4.911 5.880) 7.742 14.820 ( -0.988 -3.599 -5.848) 6.937 14.820 ( -0.988 3.599 -5.848) 6.937 15.200 ( 2.534 -0.925 -5.311) 5.956 15.200 ( 2.534 0.925 -5.311) 5.956 15.309 ( -2.845 -3.422 -0.036) 4.450 15.309 ( -2.845 3.422 -0.036) 4.450 15.419 ( 5.065 -3.652 -0.632) 6.276 15.419 ( 5.065 3.652 -0.632) 6.276 15.938 ( 7.681 -3.411 -11.111) 13.932 15.938 ( 7.681 3.412 -11.111) 13.932 16.111 ( 10.006 -5.237 -7.279) 13.436 16.111 ( 10.006 5.237 -7.279) 13.436 16.190 ( 7.503 -3.995 -5.372) 10.056 16.190 ( 7.503 3.995 -5.372) 10.056 16.659 ( 3.966 -3.042 1.382) 5.186 16.659 ( 3.966 3.042 1.382) 5.186 16.965 ( 2.203 -3.666 3.479) 5.513 16.965 ( 2.203 3.666 3.479) 5.513 17.230 ( 4.544 -8.042 12.130) 15.247 17.230 ( 4.544 8.042 12.130) 15.247 17.955 ( -5.266 -9.033 6.461) 12.291 17.955 ( -5.266 9.033 6.461) 12.291 ======================= Grid point 67 (28/75) ======================= q-point: ( 0.25 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 22.406 -15.703 10.040) 29.145 1.856 ( 22.406 15.703 10.040) 29.145 2.067 ( 9.104 -26.183 3.036) 27.886 2.067 ( 9.104 26.183 3.036) 27.886 2.871 ( 20.243 -14.573 13.404) 28.317 2.871 ( 20.243 14.573 13.404) 28.317 3.235 ( 18.887 -6.216 5.988) 20.766 3.235 ( 18.887 6.216 5.988) 20.766 3.482 ( 1.092 -3.069 7.032) 7.750 3.482 ( 1.092 3.069 7.032) 7.750 3.790 ( -2.849 -4.502 -0.780) 5.384 3.790 ( -2.849 4.502 -0.780) 5.384 4.023 ( 2.678 -2.845 3.681) 5.368 4.023 ( 2.678 2.845 3.681) 5.368 4.278 ( -4.468 -7.210 5.524) 10.122 4.278 ( -4.468 7.210 5.524) 10.122 4.852 ( -4.673 -3.394 1.700) 6.021 4.852 ( -4.673 3.394 1.700) 6.021 5.415 ( -8.945 -3.919 -10.948) 14.671 5.415 ( -8.945 3.919 -10.948) 14.671 5.695 ( -28.983 -1.586 4.746) 29.412 5.695 ( -28.983 1.586 4.746) 29.412 5.852 ( -6.818 -1.137 -3.160) 7.600 5.852 ( -6.818 1.137 -3.160) 7.600 6.658 ( -10.777 -3.156 -4.376) 12.053 6.658 ( -10.777 3.156 -4.376) 12.053 7.075 ( 15.321 -0.124 -14.131) 20.843 7.075 ( 15.321 0.124 -14.131) 20.843 7.960 ( -43.931 -0.176 8.364) 44.721 7.960 ( -43.931 0.176 8.364) 44.721 8.270 ( 11.827 -0.252 -18.062) 21.591 8.270 ( 11.827 0.252 -18.062) 21.591 9.409 ( -11.993 -0.693 13.894) 18.367 9.409 ( -11.993 0.693 13.893) 18.367 9.837 ( -7.091 -0.442 -18.451) 19.771 9.837 ( -7.091 0.442 -18.451) 19.771 12.203 ( 8.640 -5.161 -0.414) 10.073 12.203 ( 8.640 5.161 -0.414) 10.073 12.348 ( -0.673 -5.087 -1.474) 5.339 12.348 ( -0.673 5.087 -1.474) 5.339 12.587 ( -7.617 -2.195 -0.228) 7.930 12.587 ( -7.617 2.195 -0.228) 7.930 12.824 ( 0.441 -3.860 -3.714) 5.374 12.824 ( 0.441 3.860 -3.714) 5.374 12.946 ( -6.083 -3.289 9.328) 11.612 12.946 ( -6.083 3.289 9.328) 11.612 13.214 ( -6.656 -1.419 8.116) 10.592 13.214 ( -6.656 1.419 8.116) 10.592 13.436 ( -6.207 -6.665 -1.574) 9.242 13.436 ( -6.207 6.665 -1.574) 9.242 13.762 ( 6.230 -2.052 3.135) 7.270 13.762 ( 6.230 2.052 3.135) 7.270 14.069 ( -1.612 -3.211 3.338) 4.904 14.069 ( -1.612 3.211 3.338) 4.904 14.151 ( 2.037 -0.918 3.093) 3.815 14.151 ( 2.037 0.918 3.093) 3.815 14.371 ( 1.699 -1.440 -1.921) 2.941 14.371 ( 1.699 1.440 -1.921) 2.941 14.386 ( 3.373 -1.513 5.142) 6.333 14.386 ( 3.373 1.513 5.142) 6.333 14.588 ( -1.195 -3.328 1.329) 3.778 14.588 ( -1.195 3.328 1.329) 3.778 14.869 ( 2.754 -3.220 -4.779) 6.387 14.869 ( 2.754 3.220 -4.779) 6.387 15.184 ( -1.320 -1.895 -0.349) 2.336 15.184 ( -1.320 1.895 -0.349) 2.336 15.345 ( 5.461 -2.312 -4.156) 7.241 15.345 ( 5.461 2.312 -4.156) 7.241 15.576 ( 8.477 -1.992 -0.633) 8.731 15.576 ( 8.477 1.992 -0.633) 8.731 15.954 ( -1.555 -0.489 -7.415) 7.592 15.954 ( -1.555 0.489 -7.415) 7.592 16.289 ( 5.974 -3.382 -4.434) 8.173 16.289 ( 5.974 3.382 -4.434) 8.173 16.378 ( 7.953 -4.213 -8.549) 12.413 16.378 ( 7.953 4.213 -8.549) 12.413 16.782 ( 8.114 -1.413 -0.556) 8.255 16.782 ( 8.114 1.413 -0.556) 8.255 17.021 ( 3.235 -2.821 3.509) 5.544 17.021 ( 3.235 2.821 3.509) 5.544 17.336 ( 4.968 -5.926 3.816) 8.623 17.336 ( 4.968 5.926 3.816) 8.623 17.824 ( -7.131 -6.734 4.385) 10.744 17.824 ( -7.131 6.734 4.385) 10.744 ======================= Grid point 69 (29/75) ======================= q-point: ( 0.38 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.185 ( 8.678 -16.672 2.832) 19.007 2.185 ( 8.678 16.672 2.832) 19.008 2.365 ( 20.890 -6.630 3.587) 22.209 2.365 ( 20.890 6.630 3.587) 22.209 3.099 ( 0.001 -4.894 7.809) 9.216 3.099 ( 0.001 4.894 7.809) 9.216 3.272 ( 0.500 -2.005 6.391) 6.717 3.272 ( 0.500 2.005 6.391) 6.717 3.580 ( -0.735 -2.805 -2.303) 3.702 3.580 ( -0.735 2.805 -2.303) 3.702 3.974 ( 2.324 -1.693 1.631) 3.306 3.974 ( 2.324 1.693 1.631) 3.306 4.085 ( 5.042 -1.093 3.127) 6.033 4.085 ( 5.042 1.093 3.127) 6.033 4.465 ( 29.506 -6.209 12.983) 32.828 4.465 ( 29.506 6.209 12.983) 32.828 4.788 ( -3.088 -6.168 4.485) 8.227 4.788 ( -3.088 6.168 4.485) 8.228 4.914 ( -24.226 -3.639 4.680) 24.941 4.914 ( -24.226 3.639 4.680) 24.940 5.443 ( -1.118 -5.261 -6.204) 8.211 5.443 ( -1.118 5.261 -6.204) 8.211 5.768 ( -3.229 -2.226 -5.826) 7.023 5.768 ( -3.229 2.226 -5.826) 7.023 6.467 ( -11.234 -3.574 -0.044) 11.789 6.467 ( -11.234 3.574 -0.044) 11.789 6.953 ( -46.437 -1.896 9.222) 47.382 6.953 ( -46.437 1.896 9.222) 47.382 7.469 ( 21.121 -0.272 -13.265) 24.943 7.469 ( 21.121 0.272 -13.265) 24.943 8.330 ( -10.677 -0.450 -25.402) 27.558 8.330 ( -10.677 0.450 -25.402) 27.558 9.281 ( 2.742 -0.743 12.376) 12.698 9.281 ( 2.742 0.743 12.376) 12.698 9.667 ( -9.645 -0.440 -12.345) 15.672 9.667 ( -9.645 0.440 -12.345) 15.672 12.311 ( 1.002 -4.468 -3.123) 5.543 12.311 ( 1.002 4.468 -3.123) 5.543 12.364 ( -0.238 -3.138 -5.111) 6.002 12.364 ( -0.238 3.138 -5.111) 6.002 12.524 ( 4.719 -1.973 4.912) 7.091 12.524 ( 4.719 1.973 4.912) 7.091 12.759 ( -4.913 -2.138 8.136) 9.742 12.759 ( -4.913 2.138 8.136) 9.742 12.849 ( -3.711 -3.459 7.011) 8.653 12.849 ( -3.711 3.459 7.011) 8.653 13.095 ( -6.831 -6.196 -3.335) 9.807 13.095 ( -6.831 6.196 -3.335) 9.807 13.427 ( 5.774 -4.251 4.254) 8.337 13.427 ( 5.774 4.251 4.254) 8.337 13.777 ( -4.595 -6.628 1.450) 8.194 13.777 ( -4.595 6.628 1.450) 8.194 14.077 ( 1.915 -1.630 4.367) 5.040 14.077 ( 1.915 1.630 4.367) 5.040 14.204 ( 2.822 -0.944 2.791) 4.079 14.204 ( 2.822 0.944 2.791) 4.079 14.375 ( -0.123 -3.760 0.292) 3.773 14.375 ( -0.123 3.760 0.292) 3.773 14.430 ( -0.400 -1.529 1.675) 2.303 14.430 ( -0.400 1.529 1.675) 2.303 14.588 ( 2.238 -3.227 0.058) 3.927 14.588 ( 2.238 3.227 0.058) 3.927 14.833 ( -5.194 -4.560 -0.596) 6.938 14.833 ( -5.194 4.560 -0.596) 6.938 15.231 ( 4.193 -1.958 -0.636) 4.671 15.231 ( 4.193 1.958 -0.636) 4.671 15.464 ( 5.566 -1.778 -4.981) 7.678 15.464 ( 5.566 1.778 -4.981) 7.678 15.725 ( 5.767 -1.616 -2.102) 6.347 15.725 ( 5.767 1.616 -2.102) 6.347 15.909 ( -2.772 -0.339 -6.419) 7.000 15.909 ( -2.772 0.339 -6.419) 7.000 16.370 ( 2.229 -0.781 -3.883) 4.545 16.370 ( 2.229 0.781 -3.883) 4.545 16.490 ( 3.564 -1.885 -6.132) 7.339 16.490 ( 3.564 1.885 -6.132) 7.339 16.956 ( 7.826 -1.043 -0.618) 7.919 16.956 ( 7.826 1.043 -0.618) 7.919 17.087 ( 2.856 -2.399 3.261) 4.955 17.087 ( 2.856 2.399 3.261) 4.955 17.409 ( 2.202 -2.504 0.766) 3.422 17.409 ( 2.202 2.504 0.766) 3.422 17.685 ( -6.043 -4.245 2.448) 7.780 17.685 ( -6.043 4.245 2.448) 7.780 ======================= Grid point 71 (30/75) ======================= q-point: (-0.50 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( -0.000 -0.000 3.842) 3.842 2.290 ( 0.000 0.000 3.842) 3.842 2.620 ( -0.000 0.000 -1.037) 1.037 2.620 ( -0.000 0.000 -1.037) 1.037 3.084 ( 0.000 -0.000 9.396) 9.396 3.084 ( 0.000 0.000 9.396) 9.396 3.220 ( -0.000 -0.000 -2.321) 2.321 3.220 ( -0.000 0.000 -2.321) 2.321 3.722 ( 0.000 0.000 10.606) 10.606 3.722 ( 0.000 0.000 10.606) 10.606 3.810 ( -0.000 0.000 -1.688) 1.688 3.810 ( 0.000 0.000 -1.688) 1.688 4.320 ( 0.000 -0.000 4.986) 4.986 4.320 ( 0.000 0.000 4.986) 4.986 4.328 ( -0.000 -0.000 3.942) 3.942 4.328 ( -0.000 0.000 3.942) 3.942 4.706 ( 0.000 0.000 1.322) 1.322 4.706 ( 0.000 0.000 1.322) 1.322 5.197 ( 0.000 0.000 2.953) 2.953 5.197 ( -0.000 0.000 2.953) 2.953 5.593 ( -0.000 0.000 2.596) 2.596 5.593 ( 0.000 0.000 2.596) 2.596 5.769 ( -0.000 0.000 2.224) 2.224 5.769 ( -0.000 0.000 2.224) 2.224 5.904 ( 0.000 0.000 3.850) 3.850 5.904 ( 0.000 0.000 3.851) 3.851 6.548 ( 0.000 0.000 0.762) 0.762 6.548 ( 0.000 0.000 0.762) 0.762 7.935 ( 0.000 0.000 -17.548) 17.548 7.935 ( 0.000 -0.000 -17.548) 17.548 7.946 ( -0.000 0.000 -16.639) 16.639 7.946 ( -0.000 -0.000 -16.639) 16.639 9.441 ( -0.000 0.000 -2.731) 2.731 9.441 ( -0.000 0.000 -2.731) 2.731 9.464 ( 0.000 0.000 -2.432) 2.432 9.464 ( 0.000 0.000 -2.432) 2.432 12.324 ( 0.000 -0.000 -4.690) 4.690 12.324 ( -0.000 -0.000 -4.690) 4.690 12.335 ( 0.000 0.000 -4.057) 4.057 12.335 ( -0.000 0.000 -4.057) 4.057 12.651 ( -0.000 -0.000 8.402) 8.402 12.651 ( -0.000 0.000 8.402) 8.402 12.674 ( -0.000 -0.000 10.031) 10.031 12.674 ( 0.000 0.000 10.031) 10.031 12.813 ( -0.000 0.000 0.512) 0.512 12.813 ( 0.000 0.000 0.512) 0.512 12.993 ( 0.000 0.000 1.421) 1.421 12.993 ( 0.000 0.000 1.421) 1.421 13.557 ( 0.000 -0.000 2.268) 2.268 13.557 ( 0.000 -0.000 2.268) 2.268 13.665 ( 0.000 0.000 -0.057) 0.057 13.665 ( -0.000 0.000 -0.057) 0.057 14.101 ( 0.000 -0.000 5.238) 5.238 14.101 ( 0.000 0.000 5.238) 5.238 14.239 ( -0.000 0.000 2.700) 2.700 14.239 ( 0.000 0.000 2.700) 2.700 14.388 ( -0.000 -0.000 -2.075) 2.075 14.388 ( -0.000 0.000 -2.075) 2.075 14.395 ( 0.000 -0.000 2.569) 2.569 14.395 ( 0.000 0.000 2.569) 2.569 14.648 ( 0.000 0.000 -0.619) 0.619 14.648 ( 0.000 0.000 -0.619) 0.619 14.745 ( -0.000 0.000 2.519) 2.519 14.745 ( 0.000 0.000 2.519) 2.519 15.281 ( -0.000 0.000 -0.955) 0.955 15.281 ( 0.000 0.000 -0.955) 0.955 15.530 ( 0.000 0.000 -4.306) 4.306 15.530 ( 0.000 0.000 -4.306) 4.306 15.795 ( -0.000 0.000 -6.077) 6.077 15.795 ( -0.000 0.000 -6.077) 6.077 15.864 ( 0.000 0.000 -3.849) 3.849 15.864 ( 0.000 0.000 -3.849) 3.849 16.390 ( 0.000 0.000 -3.930) 3.930 16.390 ( 0.000 0.000 -3.930) 3.930 16.526 ( 0.000 -0.000 -5.224) 5.224 16.526 ( 0.000 0.000 -5.224) 5.224 17.046 ( 0.000 0.000 0.358) 0.358 17.046 ( 0.000 0.000 0.358) 0.358 17.119 ( 0.000 0.000 2.088) 2.088 17.119 ( 0.000 -0.000 2.088) 2.088 17.431 ( -0.000 0.000 1.110) 1.110 17.431 ( 0.000 -0.000 1.110) 1.110 17.613 ( 0.000 0.000 1.320) 1.320 17.613 ( 0.000 0.000 1.320) 1.320 ======================= Grid point 90 (31/75) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.888 ( 0.000 0.000 31.335) 31.335 1.370 ( 0.000 0.000 33.351) 33.351 1.998 ( 0.000 0.000 32.185) 32.185 2.435 ( 0.000 0.000 53.050) 53.050 2.640 ( 0.000 0.000 3.521) 3.521 2.950 ( 0.000 0.000 43.357) 43.357 2.981 ( 0.000 0.000 -10.397) 10.397 3.043 ( 0.000 0.000 9.253) 9.253 3.663 ( 0.000 0.000 5.823) 5.823 3.868 ( 0.000 0.000 -0.583) 0.583 3.910 ( 0.000 0.000 0.926) 0.926 4.088 ( 0.000 0.000 7.192) 7.192 4.105 ( 0.000 0.000 -2.769) 2.769 4.132 ( 0.000 0.000 1.435) 1.435 4.290 ( 0.000 0.000 7.681) 7.681 4.488 ( 0.000 0.000 -2.567) 2.567 4.990 ( 0.000 0.000 12.304) 12.304 5.059 ( 0.000 0.000 -19.964) 19.964 5.271 ( 0.000 0.000 6.866) 6.866 5.545 ( 0.000 0.000 -15.195) 15.195 5.550 ( 0.000 0.000 -2.937) 2.937 6.069 ( 0.000 0.000 7.870) 7.870 6.208 ( 0.000 0.000 -29.922) 29.922 6.238 ( 0.000 0.000 -28.840) 28.840 6.451 ( 0.000 0.000 -5.364) 5.364 6.723 ( 0.000 0.000 3.720) 3.720 6.990 ( 0.000 0.000 -6.695) 6.695 7.003 ( 0.000 0.000 -6.680) 6.680 7.245 ( 0.000 0.000 -3.219) 3.219 7.280 ( 0.000 0.000 -5.425) 5.425 9.233 ( 0.000 0.000 -41.328) 41.328 9.262 ( 0.000 0.000 -41.949) 41.949 9.568 ( 0.000 0.000 17.369) 17.369 9.597 ( 0.000 0.000 17.281) 17.281 9.820 ( 0.000 0.000 11.635) 11.635 9.826 ( 0.000 0.000 10.989) 10.989 11.927 ( 0.000 0.000 3.186) 3.186 12.143 ( 0.000 0.000 -3.108) 3.108 12.186 ( 0.000 0.000 3.814) 3.814 12.473 ( 0.000 0.000 -4.375) 4.375 12.629 ( 0.000 0.000 3.970) 3.970 12.715 ( 0.000 0.000 -0.073) 0.073 12.900 ( 0.000 0.000 4.451) 4.451 13.067 ( 0.000 0.000 -10.044) 10.044 13.074 ( 0.000 0.000 2.341) 2.341 13.273 ( 0.000 0.000 8.791) 8.791 13.299 ( 0.000 0.000 2.234) 2.234 13.435 ( 0.000 0.000 8.946) 8.946 13.474 ( 0.000 0.000 -2.019) 2.019 13.728 ( 0.000 0.000 -5.897) 5.897 13.850 ( 0.000 0.000 15.561) 15.561 14.049 ( 0.000 0.000 -0.938) 0.938 14.070 ( 0.000 0.000 13.646) 13.646 14.099 ( 0.000 0.000 3.327) 3.327 14.102 ( 0.000 0.000 1.388) 1.388 14.126 ( 0.000 0.000 6.182) 6.182 14.211 ( 0.000 0.000 2.178) 2.178 14.280 ( 0.000 0.000 -0.846) 0.846 14.368 ( 0.000 0.000 -1.547) 1.547 14.431 ( 0.000 0.000 -11.486) 11.486 14.448 ( 0.000 0.000 0.413) 0.413 14.583 ( 0.000 0.000 11.553) 11.553 14.929 ( 0.000 0.000 -3.827) 3.827 15.006 ( 0.000 0.000 -5.523) 5.523 15.062 ( 0.000 0.000 -6.430) 6.430 15.110 ( 0.000 0.000 -0.106) 0.106 15.121 ( 0.000 0.000 12.351) 12.351 15.245 ( 0.000 0.000 -1.421) 1.421 15.257 ( 0.000 0.000 -3.768) 3.768 15.538 ( 0.000 0.000 -2.272) 2.272 15.581 ( 0.000 0.000 -4.121) 4.121 15.621 ( 0.000 0.000 -6.114) 6.114 15.778 ( 0.000 0.000 -8.960) 8.960 15.936 ( 0.000 0.000 -8.210) 8.210 15.974 ( 0.000 0.000 -8.835) 8.835 16.055 ( 0.000 0.000 -10.045) 10.045 16.493 ( 0.000 0.000 -1.409) 1.409 16.726 ( 0.000 0.000 -0.775) 0.775 16.838 ( 0.000 0.000 1.015) 1.015 17.173 ( 0.000 0.000 6.337) 6.337 17.258 ( 0.000 0.000 6.037) 6.037 17.570 ( 0.000 0.000 -4.452) 4.452 17.692 ( 0.000 0.000 5.913) 5.913 18.679 ( 0.000 0.000 -7.565) 7.565 ======================= Grid point 91 (32/75) ======================= q-point: ( 0.12 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.928 ( 5.720 0.000 30.248) 30.784 1.527 ( 13.928 0.000 27.767) 31.065 2.270 ( 23.700 0.000 27.140) 36.031 2.620 ( 3.578 0.000 10.518) 11.110 2.677 ( 14.386 0.000 35.479) 38.285 2.907 ( -5.597 0.000 -9.603) 11.115 3.130 ( 17.871 0.000 41.545) 45.226 3.162 ( 12.187 0.000 8.193) 14.685 3.650 ( -2.016 0.000 3.196) 3.778 3.810 ( -5.477 0.000 2.697) 6.105 3.855 ( -2.926 0.000 -2.937) 4.146 4.010 ( -12.548 0.000 5.176) 13.573 4.118 ( 2.165 0.000 5.027) 5.474 4.150 ( 3.589 0.000 2.599) 4.431 4.333 ( 4.576 0.000 11.135) 12.038 4.450 ( -2.038 0.000 -2.025) 2.873 4.980 ( -3.036 0.000 -0.302) 3.051 5.021 ( -2.016 0.000 -11.076) 11.258 5.139 ( -10.710 0.000 5.615) 12.092 5.521 ( -2.454 0.000 -3.356) 4.158 5.530 ( -2.839 0.000 -13.781) 14.070 6.047 ( -1.844 0.000 5.892) 6.174 6.261 ( 1.414 0.000 -21.956) 22.002 6.344 ( 8.064 0.000 -24.671) 25.955 6.409 ( -13.612 0.000 0.803) 13.636 6.504 ( -7.194 0.000 -8.127) 10.853 6.570 ( -26.544 0.000 -1.253) 26.573 6.810 ( -7.245 0.000 -0.863) 7.297 7.551 ( 15.135 0.000 -13.306) 20.152 7.554 ( 15.770 0.000 -13.187) 20.557 9.120 ( -27.877 0.000 6.084) 28.534 9.134 ( -30.549 0.000 10.258) 32.225 9.272 ( -5.357 0.000 -27.812) 28.324 9.287 ( -3.871 0.000 -32.753) 32.981 9.844 ( -3.828 0.000 11.147) 11.786 9.867 ( -2.722 0.000 11.536) 11.853 11.955 ( 2.466 0.000 1.298) 2.787 12.154 ( 1.034 0.000 -1.995) 2.247 12.241 ( 5.031 0.000 2.241) 5.507 12.505 ( 2.989 0.000 -4.960) 5.791 12.616 ( -1.155 0.000 4.314) 4.466 12.732 ( -10.917 0.000 2.027) 11.104 12.763 ( 4.230 0.000 -0.691) 4.286 12.927 ( -10.554 0.000 1.576) 10.671 13.068 ( -3.348 0.000 -6.823) 7.600 13.154 ( -5.532 0.000 9.371) 10.882 13.372 ( -4.640 0.000 9.481) 10.556 13.512 ( 13.052 0.000 3.717) 13.571 13.577 ( -1.310 0.000 -7.780) 7.889 13.721 ( 6.254 0.000 4.324) 7.604 13.723 ( -9.576 0.000 13.872) 16.856 13.906 ( -7.261 0.000 12.075) 14.090 14.037 ( -3.445 0.000 7.064) 7.859 14.084 ( 0.759 0.000 -4.200) 4.269 14.190 ( 3.072 0.000 -0.462) 3.106 14.210 ( 3.260 0.000 -0.095) 3.262 14.283 ( 4.630 0.000 -0.713) 4.685 14.295 ( 3.441 0.000 5.900) 6.831 14.345 ( 0.009 0.000 2.765) 2.765 14.433 ( -4.310 0.000 -4.437) 6.185 14.525 ( 5.823 0.000 1.313) 5.969 14.611 ( 6.447 0.000 5.328) 8.364 14.909 ( 0.051 0.000 -4.464) 4.465 14.967 ( -5.427 0.000 5.759) 7.913 15.030 ( -4.334 0.000 -0.308) 4.345 15.093 ( 3.040 0.000 0.423) 3.069 15.137 ( 5.174 0.000 -4.763) 7.033 15.304 ( 3.967 0.000 -4.383) 5.912 15.331 ( 3.876 0.000 -0.694) 3.937 15.577 ( 1.859 0.000 -3.189) 3.691 15.648 ( 7.874 0.000 -3.872) 8.774 15.802 ( 8.557 0.000 -8.690) 12.196 15.834 ( 5.065 0.000 -7.777) 9.281 15.959 ( 2.204 0.000 -8.064) 8.359 16.015 ( 7.871 0.000 -10.231) 12.908 16.149 ( 7.364 0.000 -10.600) 12.907 16.555 ( 6.030 0.000 -1.500) 6.214 16.746 ( 2.140 0.000 -0.835) 2.297 16.876 ( 3.665 0.000 1.304) 3.890 17.198 ( 2.462 0.000 6.649) 7.090 17.258 ( 0.213 0.000 4.701) 4.706 17.553 ( -1.472 0.000 -4.830) 5.050 17.657 ( -3.342 0.000 5.318) 6.281 18.517 ( -13.925 0.000 -3.168) 14.281 ======================= Grid point 92 (33/75) ======================= q-point: ( 0.25 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( 20.386 0.000 25.582) 32.711 1.876 ( 19.761 0.000 18.015) 26.740 2.621 ( -0.279 0.000 -2.002) 2.021 2.726 ( -6.338 0.000 -4.947) 8.040 2.819 ( 28.296 0.000 22.940) 36.427 3.029 ( 8.448 0.000 17.888) 19.783 3.526 ( 7.399 0.000 -2.111) 7.694 3.610 ( 11.097 0.000 7.528) 13.410 3.622 ( -0.058 0.000 20.336) 20.336 3.672 ( 9.044 0.000 22.710) 24.445 3.742 ( 1.195 0.000 7.695) 7.788 3.797 ( -1.818 0.000 -2.871) 3.399 4.121 ( -2.124 0.000 1.638) 2.682 4.252 ( 5.442 0.000 7.111) 8.955 4.434 ( 0.124 0.000 -1.836) 1.841 4.533 ( 18.184 0.000 22.954) 29.284 4.868 ( -6.054 0.000 -17.112) 18.151 4.904 ( -11.568 0.000 7.325) 13.692 5.007 ( 0.647 0.000 3.311) 3.373 5.427 ( -7.441 0.000 -11.297) 13.527 5.457 ( -3.878 0.000 -4.288) 5.781 5.783 ( -33.102 0.000 8.842) 34.262 5.943 ( -26.950 0.000 5.828) 27.573 5.974 ( -7.665 0.000 1.361) 7.785 6.320 ( -1.426 0.000 -8.186) 8.309 6.615 ( 3.489 0.000 -12.789) 13.257 6.646 ( 16.868 0.000 -26.196) 31.157 6.710 ( 4.427 0.000 -9.676) 10.640 7.767 ( 4.892 0.000 -21.949) 22.488 7.775 ( 4.906 0.000 -22.324) 22.857 8.311 ( -46.562 0.000 18.770) 50.203 8.323 ( -45.319 0.000 18.402) 48.913 9.257 ( 0.265 0.000 -32.738) 32.739 9.274 ( 0.078 0.000 -33.958) 33.958 9.666 ( -12.025 0.000 9.122) 15.093 9.703 ( -11.706 0.000 8.993) 14.761 12.012 ( 2.889 0.000 -3.276) 4.368 12.178 ( 0.864 0.000 -0.398) 0.952 12.355 ( 4.861 0.000 -3.575) 6.034 12.527 ( -4.508 0.000 -1.306) 4.693 12.583 ( -2.737 0.000 3.545) 4.478 12.607 ( 2.674 0.000 -1.267) 2.959 12.743 ( -3.692 0.000 8.437) 9.209 12.877 ( 5.231 0.000 -3.849) 6.494 12.940 ( -7.109 0.000 -2.986) 7.711 13.061 ( -4.483 0.000 11.155) 12.022 13.239 ( -7.314 0.000 7.254) 10.301 13.477 ( -6.415 0.000 -1.525) 6.594 13.518 ( -8.771 0.000 14.635) 17.062 13.711 ( 1.871 0.000 0.920) 2.085 13.727 ( -3.055 0.000 15.264) 15.567 13.996 ( 9.395 0.000 0.467) 9.406 14.005 ( 1.767 0.000 5.042) 5.342 14.085 ( 1.802 0.000 -2.936) 3.445 14.236 ( 0.942 0.000 -0.778) 1.222 14.244 ( 1.563 0.000 -4.755) 5.005 14.316 ( -0.088 0.000 3.969) 3.970 14.322 ( -2.494 0.000 6.547) 7.006 14.385 ( 1.775 0.000 7.534) 7.740 14.397 ( 3.664 0.000 -2.641) 4.516 14.648 ( 5.307 0.000 4.024) 6.660 14.727 ( 1.060 0.000 0.631) 1.234 14.866 ( -3.903 0.000 5.782) 6.976 14.961 ( 3.419 0.000 -3.857) 5.154 15.003 ( 4.720 0.000 0.894) 4.804 15.164 ( 3.514 0.000 0.256) 3.524 15.262 ( 6.278 0.000 -3.507) 7.191 15.369 ( 0.954 0.000 -2.261) 2.454 15.396 ( 4.730 0.000 -6.594) 8.115 15.662 ( 5.398 0.000 -3.519) 6.443 15.754 ( 1.419 0.000 -7.342) 7.478 15.862 ( 0.123 0.000 -5.491) 5.492 15.951 ( 5.767 0.000 -4.069) 7.058 16.032 ( 5.020 0.000 -7.424) 8.962 16.256 ( 11.447 0.000 -13.372) 17.602 16.304 ( 7.140 0.000 -11.585) 13.609 16.725 ( 10.154 0.000 -1.071) 10.211 16.828 ( 6.538 0.000 -0.488) 6.556 16.972 ( 5.210 0.000 2.320) 5.703 17.260 ( 2.998 0.000 7.816) 8.371 17.275 ( 1.526 0.000 0.849) 1.746 17.527 ( -0.464 0.000 -5.861) 5.880 17.566 ( -5.272 0.000 3.713) 6.449 18.204 ( -15.590 0.000 0.585) 15.601 ======================= Grid point 93 (34/75) ======================= q-point: ( 0.38 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( 31.720 0.000 20.958) 38.018 2.298 ( 21.134 0.000 7.661) 22.480 2.620 ( -0.003 0.000 -3.195) 3.195 2.639 ( -1.823 0.000 -5.924) 6.198 3.008 ( -9.614 0.000 2.138) 9.849 3.048 ( -26.072 0.000 18.373) 31.895 3.470 ( 26.495 0.000 19.553) 32.929 3.599 ( 7.658 0.000 1.637) 7.831 3.659 ( -0.092 0.000 4.631) 4.632 3.722 ( -3.425 0.000 -3.557) 4.938 4.016 ( -5.252 0.000 2.232) 5.707 4.140 ( 17.836 0.000 7.395) 19.308 4.234 ( 20.925 0.000 10.225) 23.289 4.353 ( 4.887 0.000 7.749) 9.161 4.413 ( -4.449 0.000 -0.343) 4.462 4.691 ( -8.777 0.000 9.453) 12.900 4.750 ( -8.597 0.000 -13.329) 15.861 5.063 ( 0.118 0.000 4.184) 4.186 5.107 ( -18.682 0.000 7.018) 19.957 5.152 ( -19.400 0.000 5.595) 20.191 5.171 ( 37.174 0.000 29.150) 47.240 5.475 ( 11.041 0.000 3.514) 11.587 5.586 ( -4.141 0.000 -6.218) 7.471 5.811 ( -9.167 0.000 -3.257) 9.728 6.270 ( -4.102 0.000 -2.774) 4.952 6.539 ( -3.430 0.000 0.941) 3.557 7.008 ( 11.458 0.000 -20.110) 23.145 7.021 ( 15.764 0.000 -22.016) 27.078 7.293 ( -43.110 0.000 17.045) 46.358 7.350 ( -42.313 0.000 18.289) 46.097 7.756 ( -9.496 0.000 -28.429) 29.973 7.767 ( -9.114 0.000 -28.870) 30.275 9.268 ( 1.019 0.000 -22.892) 22.914 9.284 ( 1.099 0.000 -24.151) 24.176 9.436 ( -9.266 0.000 2.158) 9.514 9.470 ( -9.811 0.000 1.674) 9.953 12.067 ( 2.541 0.000 -5.965) 6.484 12.167 ( -1.915 0.000 -1.712) 2.569 12.400 ( 0.359 0.000 -5.878) 5.889 12.491 ( 1.638 0.000 2.112) 2.672 12.496 ( -4.660 0.000 0.920) 4.749 12.644 ( -1.542 0.000 -5.397) 5.613 12.813 ( 8.279 0.000 7.348) 11.070 12.851 ( -0.519 0.000 5.634) 5.658 12.968 ( -4.465 0.000 10.849) 11.732 12.982 ( 5.557 0.000 3.683) 6.667 13.105 ( -6.066 0.000 2.615) 6.605 13.326 ( -8.525 0.000 5.505) 10.148 13.401 ( -1.773 0.000 10.972) 11.115 13.615 ( -8.165 0.000 3.441) 8.860 13.731 ( 3.652 0.000 10.441) 11.061 14.015 ( -6.226 0.000 0.584) 6.254 14.053 ( 2.960 0.000 -3.291) 4.426 14.158 ( 1.384 0.000 -0.029) 1.384 14.262 ( 0.251 0.000 -0.814) 0.852 14.302 ( -0.889 0.000 5.339) 5.413 14.303 ( 3.264 0.000 -1.180) 3.471 14.348 ( 2.417 0.000 0.916) 2.585 14.415 ( 3.984 0.000 9.478) 10.281 14.485 ( 6.664 0.000 0.890) 6.723 14.670 ( -4.625 0.000 5.551) 7.225 14.711 ( 0.091 0.000 4.696) 4.697 14.816 ( -0.229 0.000 4.498) 4.504 14.963 ( -3.521 0.000 0.339) 3.538 15.180 ( 9.784 0.000 -0.355) 9.791 15.269 ( 6.626 0.000 -0.818) 6.676 15.358 ( 2.299 0.000 -1.697) 2.857 15.395 ( 1.038 0.000 -2.997) 3.172 15.490 ( 4.876 0.000 -9.382) 10.574 15.714 ( -4.449 0.000 -9.483) 10.475 15.752 ( 3.257 0.000 -3.915) 5.093 15.844 ( -1.727 0.000 -4.775) 5.077 16.062 ( 4.979 0.000 -2.994) 5.810 16.123 ( 2.988 0.000 -5.132) 5.938 16.415 ( 4.330 0.000 -12.092) 12.844 16.421 ( 4.336 0.000 -12.215) 12.962 16.928 ( 9.009 0.000 0.247) 9.012 17.006 ( 10.080 0.000 0.237) 10.083 17.059 ( 2.762 0.000 3.348) 4.341 17.282 ( -1.578 0.000 6.152) 6.351 17.315 ( 2.290 0.000 -2.672) 3.519 17.457 ( -5.192 0.000 1.235) 5.337 17.562 ( 4.230 0.000 -3.991) 5.816 17.914 ( -12.795 0.000 0.765) 12.818 ======================= Grid point 94 (35/75) ======================= q-point: (-0.50 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.408 ( -34.134 0.000 18.972) 39.052 2.408 ( 34.134 0.000 18.972) 39.052 2.606 ( -2.320 0.000 -4.120) 4.729 2.606 ( 2.320 0.000 -4.120) 4.729 2.727 ( -15.724 0.000 0.315) 15.727 2.727 ( 15.724 0.000 0.315) 15.727 3.657 ( -2.325 0.000 -2.501) 3.415 3.657 ( 2.325 0.000 -2.501) 3.415 3.833 ( -11.141 0.000 5.612) 12.474 3.833 ( 11.141 0.000 5.612) 12.474 4.071 ( -28.463 0.000 14.586) 31.982 4.071 ( 28.463 0.000 14.586) 31.982 4.420 ( -3.536 0.000 8.523) 9.227 4.420 ( 3.536 0.000 8.523) 9.227 4.506 ( -9.783 0.000 -0.549) 9.798 4.506 ( 9.783 0.000 -0.549) 9.798 4.658 ( -13.833 0.000 9.240) 16.635 4.658 ( 13.833 0.000 9.240) 16.635 5.026 ( -4.470 0.000 -11.119) 11.984 5.026 ( 4.470 0.000 -11.119) 11.984 5.635 ( -6.720 0.000 -6.503) 9.352 5.635 ( 6.720 0.000 -6.503) 9.352 6.001 ( -28.250 0.000 11.970) 30.682 6.001 ( 28.250 0.000 11.970) 30.682 6.165 ( -52.570 0.000 26.570) 58.903 6.165 ( 52.570 0.000 26.570) 58.903 6.601 ( -15.482 0.000 9.308) 18.065 6.601 ( 15.482 0.000 9.308) 18.065 7.459 ( -18.648 0.000 -27.240) 33.011 7.459 ( 18.648 0.000 -27.240) 33.011 7.473 ( -18.811 0.000 -27.613) 33.412 7.473 ( 18.811 0.000 -27.613) 33.412 9.310 ( -3.562 0.000 -10.441) 11.032 9.310 ( 3.562 0.000 -10.441) 11.032 9.332 ( -4.098 0.000 -11.365) 12.081 9.332 ( 4.098 0.000 -11.365) 12.081 12.118 ( -2.597 0.000 -4.490) 5.187 12.118 ( 2.597 0.000 -4.490) 5.187 12.421 ( -2.380 0.000 -2.191) 3.235 12.421 ( 2.380 0.000 -2.191) 3.235 12.564 ( -4.775 0.000 -1.181) 4.919 12.564 ( 4.775 0.000 -1.181) 4.919 12.889 ( -3.189 0.000 9.893) 10.394 12.889 ( 3.189 0.000 9.893) 10.394 12.976 ( -6.905 0.000 1.253) 7.017 12.976 ( 6.905 0.000 1.253) 7.017 13.137 ( -9.459 0.000 9.311) 13.273 13.137 ( 9.459 0.000 9.311) 13.273 13.455 ( -6.437 0.000 5.831) 8.686 13.455 ( 6.437 0.000 5.831) 8.686 13.857 ( -8.008 0.000 4.375) 9.125 13.857 ( 8.008 0.000 4.375) 9.125 14.128 ( -3.699 0.000 -2.721) 4.592 14.128 ( 3.699 0.000 -2.721) 4.592 14.263 ( -1.065 0.000 3.276) 3.445 14.263 ( 1.065 0.000 3.276) 3.445 14.350 ( -1.583 0.000 -1.578) 2.235 14.350 ( 1.583 0.000 -1.578) 2.235 14.554 ( -7.070 0.000 8.838) 11.318 14.554 ( 7.070 0.000 8.838) 11.318 14.639 ( -6.499 0.000 3.371) 7.321 14.639 ( 6.499 0.000 3.371) 7.321 14.869 ( -4.579 0.000 3.845) 5.979 14.869 ( 4.579 0.000 3.845) 5.979 15.334 ( -4.693 0.000 -0.877) 4.774 15.334 ( 4.693 0.000 -0.877) 4.774 15.378 ( -3.246 0.000 -2.235) 3.941 15.378 ( 3.246 0.000 -2.235) 3.941 15.603 ( -6.031 0.000 -10.227) 11.873 15.603 ( 6.031 0.000 -10.227) 11.873 15.803 ( -2.146 0.000 -4.536) 5.018 15.803 ( 2.146 0.000 -4.536) 5.018 16.135 ( -1.788 0.000 -3.544) 3.970 16.135 ( 1.788 0.000 -3.544) 3.970 16.461 ( -0.301 0.000 -11.775) 11.778 16.461 ( 0.301 0.000 -11.775) 11.778 17.059 ( -3.292 0.000 2.275) 4.002 17.059 ( 3.292 0.000 2.275) 4.002 17.191 ( -7.289 0.000 2.117) 7.590 17.191 ( 7.289 0.000 2.117) 7.590 17.369 ( -3.339 0.000 -1.893) 3.838 17.369 ( 3.339 0.000 -1.893) 3.838 17.695 ( -8.787 0.000 -0.488) 8.801 17.695 ( 8.787 0.000 -0.488) 8.801 ======================= Grid point 99 (36/75) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.322 ( 0.000 29.999 18.351) 35.167 1.450 ( 0.000 6.794 32.134) 32.844 1.879 ( 0.000 -9.169 30.295) 31.652 2.501 ( 0.000 -15.477 22.466) 27.281 2.596 ( 0.000 6.161 43.487) 43.922 2.732 ( 0.000 6.720 6.147) 9.107 3.002 ( 0.000 -3.609 9.092) 9.782 3.227 ( 0.000 1.869 19.349) 19.439 3.692 ( 0.000 2.335 12.052) 12.276 3.849 ( 0.000 -1.857 -3.507) 3.969 3.897 ( 0.000 2.481 -0.693) 2.576 3.974 ( 0.000 -7.707 5.718) 9.596 4.062 ( 0.000 -3.453 -2.084) 4.033 4.109 ( 0.000 -4.897 2.111) 5.333 4.316 ( 0.000 4.643 6.469) 7.963 4.502 ( 0.000 -0.080 0.280) 0.291 5.039 ( 0.000 3.994 11.126) 11.821 5.120 ( 0.000 4.740 -20.046) 20.598 5.235 ( 0.000 -3.035 7.430) 8.026 5.375 ( 0.000 -6.858 -13.319) 14.981 5.721 ( 0.000 6.826 -7.041) 9.807 5.983 ( 0.000 -5.612 3.326) 6.523 6.212 ( 0.000 0.372 -29.766) 29.769 6.233 ( 0.000 -0.374 -29.003) 29.006 6.586 ( 0.000 8.641 -5.909) 10.468 6.748 ( 0.000 1.359 0.268) 1.385 6.992 ( 0.000 0.151 -6.691) 6.693 7.001 ( 0.000 -0.156 -6.680) 6.682 7.248 ( 0.000 0.327 -3.567) 3.582 7.277 ( 0.000 -0.304 -5.436) 5.445 9.238 ( 0.000 0.386 -41.412) 41.413 9.258 ( 0.000 -0.332 -41.847) 41.849 9.573 ( 0.000 0.362 17.355) 17.359 9.593 ( 0.000 -0.353 17.293) 17.297 9.821 ( 0.000 0.088 11.523) 11.523 9.825 ( 0.000 -0.043 11.061) 11.061 11.959 ( 0.000 2.805 3.278) 4.314 12.141 ( 0.000 -3.683 3.733) 5.244 12.199 ( 0.000 4.806 -2.407) 5.375 12.472 ( 0.000 -2.035 -2.518) 3.238 12.570 ( 0.000 -2.385 1.238) 2.687 12.677 ( 0.000 -2.976 -0.804) 3.083 12.930 ( 0.000 2.410 4.069) 4.729 13.049 ( 0.000 -2.005 2.676) 3.344 13.143 ( 0.000 5.434 -8.784) 10.330 13.301 ( 0.000 2.257 8.820) 9.104 13.337 ( 0.000 1.401 -0.357) 1.446 13.414 ( 0.000 -1.794 8.979) 9.156 13.435 ( 0.000 -0.902 -1.655) 1.885 13.669 ( 0.000 -4.797 -5.303) 7.151 13.890 ( 0.000 2.951 15.121) 15.406 14.034 ( 0.000 -2.715 14.455) 14.708 14.055 ( 0.000 0.519 -0.735) 0.900 14.091 ( 0.000 -0.763 0.821) 1.121 14.116 ( 0.000 1.315 3.412) 3.657 14.185 ( 0.000 4.562 4.874) 6.676 14.193 ( 0.000 -1.423 2.767) 3.111 14.297 ( 0.000 1.258 -1.155) 1.708 14.357 ( 0.000 -0.951 -1.537) 1.807 14.407 ( 0.000 -3.546 1.843) 3.996 14.467 ( 0.000 2.907 -10.090) 10.500 14.590 ( 0.000 -0.282 5.549) 5.556 14.879 ( 0.000 -1.022 1.147) 1.536 15.014 ( 0.000 0.643 -5.525) 5.562 15.054 ( 0.000 -0.722 -6.122) 6.165 15.056 ( 0.000 -4.781 11.177) 12.156 15.244 ( 0.000 8.415 -2.094) 8.672 15.245 ( 0.000 0.108 -2.126) 2.129 15.257 ( 0.000 -0.108 -3.448) 3.450 15.545 ( 0.000 0.585 -2.484) 2.552 15.570 ( 0.000 -4.450 -5.645) 7.188 15.575 ( 0.000 -0.469 -3.811) 3.840 15.820 ( 0.000 3.353 -8.605) 9.235 15.942 ( 0.000 0.483 -8.329) 8.343 15.969 ( 0.000 -0.459 -8.766) 8.778 16.008 ( 0.000 -3.714 -9.462) 10.165 16.534 ( 0.000 3.306 -1.800) 3.764 16.693 ( 0.000 -2.492 -1.730) 3.034 16.907 ( 0.000 5.193 1.866) 5.518 17.135 ( 0.000 -3.260 5.550) 6.436 17.277 ( 0.000 1.777 5.468) 5.749 17.456 ( 0.000 -5.961 -0.215) 5.965 17.862 ( 0.000 11.170 4.122) 11.906 18.503 ( 0.000 -13.809 -1.524) 13.893 ======================= Grid point 100 (37/75) ======================= q-point: ( 0.12 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( 3.589 28.689 17.663) 33.881 1.619 ( 14.150 8.288 25.901) 30.656 2.095 ( 17.336 -11.883 23.193) 31.300 2.568 ( 2.705 -20.600 7.191) 21.986 2.741 ( 11.100 8.572 23.671) 27.514 2.816 ( 11.804 10.343 24.900) 29.433 3.110 ( 12.032 -4.246 9.308) 15.794 3.304 ( 9.610 3.487 25.536) 27.506 3.680 ( -1.829 0.025 11.165) 11.314 3.749 ( -8.337 -1.853 -3.014) 9.057 3.842 ( -2.443 -0.354 -2.410) 3.450 4.005 ( -8.393 -2.266 3.779) 9.479 4.044 ( 5.135 -4.303 6.716) 9.486 4.121 ( 1.475 -2.096 1.276) 2.863 4.322 ( 1.742 1.931 8.617) 9.001 4.486 ( -0.435 0.802 1.856) 2.069 5.013 ( -2.727 1.546 8.719) 9.265 5.073 ( -4.866 4.257 -16.441) 17.667 5.106 ( -9.057 -1.323 1.093) 9.218 5.376 ( -1.911 -6.470 -10.022) 12.081 5.678 ( -3.799 6.400 -7.716) 10.721 5.952 ( -2.542 -6.198 0.955) 6.767 6.288 ( 2.873 1.280 -21.721) 21.948 6.334 ( 6.638 -0.760 -23.441) 24.374 6.457 ( -18.871 2.456 -0.702) 19.044 6.519 ( -17.163 -0.033 -3.914) 17.603 6.628 ( -13.172 5.951 -4.833) 15.240 6.810 ( -7.246 -0.472 -2.448) 7.663 7.551 ( 15.414 0.035 -13.271) 20.340 7.554 ( 15.524 -0.011 -13.211) 20.384 9.122 ( -28.244 0.168 6.626) 29.012 9.132 ( -30.115 -0.185 9.568) 31.599 9.275 ( -5.183 0.240 -28.477) 28.946 9.285 ( -4.128 -0.148 -31.955) 32.221 9.848 ( -3.669 0.286 11.194) 11.783 9.864 ( -2.885 -0.273 11.472) 11.832 11.991 ( 2.768 3.100 1.445) 4.400 12.190 ( 4.480 -4.089 2.127) 6.427 12.207 ( 0.763 4.547 -1.381) 4.813 12.484 ( 0.687 -4.065 -1.197) 4.293 12.583 ( 1.682 0.136 -0.330) 1.719 12.714 ( 1.690 -2.771 -0.478) 3.280 12.775 ( -8.284 2.248 1.388) 8.695 12.899 ( -10.727 -2.215 1.948) 11.125 13.156 ( -1.929 6.282 -4.528) 7.980 13.195 ( -7.154 3.596 6.091) 10.060 13.341 ( -4.157 -2.531 9.659) 10.816 13.481 ( 0.813 -4.764 -6.143) 7.816 13.549 ( 7.838 0.762 3.273) 8.528 13.675 ( 6.498 -3.421 4.719) 8.729 13.768 ( -8.483 2.783 12.826) 15.627 13.880 ( -7.991 -1.963 12.575) 15.028 14.094 ( -1.529 4.173 5.898) 7.385 14.101 ( 1.066 1.464 -3.066) 3.561 14.184 ( 3.072 -1.849 -0.520) 3.623 14.212 ( 2.133 1.689 -1.327) 3.027 14.258 ( 3.858 -1.978 0.906) 4.429 14.308 ( 0.294 -0.786 2.886) 3.006 14.343 ( 3.432 1.466 4.360) 5.739 14.473 ( 0.119 0.076 1.037) 1.047 14.503 ( 4.109 1.160 -3.860) 5.756 14.629 ( 6.418 0.789 3.132) 7.184 14.821 ( -3.096 -3.384 -1.856) 4.948 14.932 ( -6.117 -3.230 7.701) 10.352 15.079 ( 3.316 0.098 -1.728) 3.741 15.105 ( 3.430 0.128 -4.053) 5.311 15.187 ( -1.662 6.016 -1.354) 6.386 15.302 ( 2.788 -0.212 -3.792) 4.711 15.328 ( 5.620 0.179 -2.086) 5.997 15.505 ( 1.360 -4.683 -2.349) 5.412 15.700 ( 8.496 2.665 -5.357) 10.391 15.775 ( 7.086 -1.320 -8.713) 11.308 15.878 ( 6.441 2.777 -7.665) 10.390 15.977 ( 4.876 0.830 -8.789) 10.086 16.006 ( 6.561 -0.283 -9.251) 11.345 16.111 ( 7.466 -2.927 -9.788) 12.653 16.583 ( 4.997 2.412 -1.730) 5.813 16.715 ( 2.369 -2.312 -1.634) 3.692 16.940 ( 3.222 4.888 2.151) 6.237 17.160 ( 2.377 -3.266 6.068) 7.289 17.277 ( 0.259 1.753 3.945) 4.325 17.445 ( -0.911 -5.520 -0.994) 5.682 17.816 ( -4.309 10.249 3.531) 11.665 18.376 ( -11.233 -11.336 0.402) 15.963 ======================= Grid point 101 (38/75) ======================= q-point: ( 0.25 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.514 ( 14.255 24.291 16.144) 32.464 1.954 ( 18.221 6.900 16.521) 25.545 2.401 ( 10.729 -13.540 7.731) 18.926 2.564 ( -1.591 -12.894 -0.285) 12.995 3.015 ( 17.724 9.478 11.336) 23.076 3.074 ( 8.808 4.690 20.444) 22.749 3.474 ( 8.675 -3.765 3.710) 10.159 3.565 ( 4.805 -0.203 3.255) 5.807 3.612 ( -4.150 -5.330 6.043) 9.064 3.684 ( 14.485 -2.441 13.727) 20.104 3.730 ( -11.266 3.901 11.461) 16.538 3.887 ( 9.989 3.837 10.477) 14.976 4.123 ( -0.785 -1.469 2.736) 3.203 4.153 ( 3.956 -1.882 5.861) 7.317 4.437 ( 8.269 -1.394 8.669) 12.061 4.541 ( 10.376 -0.642 15.915) 19.009 4.876 ( -8.886 0.400 7.476) 11.619 4.957 ( -6.014 5.408 -10.264) 13.067 5.001 ( -0.764 -0.447 -2.460) 2.614 5.296 ( -5.599 -6.877 -10.186) 13.505 5.576 ( -6.666 5.801 -6.874) 11.195 5.798 ( -30.213 0.624 7.780) 31.205 5.880 ( -9.474 -5.618 -1.183) 11.077 5.920 ( -27.176 -1.947 6.299) 27.965 6.421 ( -1.949 6.431 -8.247) 10.638 6.594 ( 4.735 -1.633 -15.021) 15.834 6.662 ( 13.822 1.328 -22.034) 26.044 6.716 ( 4.629 0.082 -10.754) 11.708 7.768 ( 4.866 0.110 -21.972) 22.505 7.774 ( 4.876 -0.091 -22.225) 22.754 8.313 ( -46.348 0.166 18.684) 49.973 8.321 ( -45.461 -0.120 18.415) 49.049 9.259 ( 0.217 0.225 -32.918) 32.919 9.271 ( 0.084 -0.203 -33.779) 33.780 9.671 ( -11.971 0.470 9.091) 15.039 9.698 ( -11.746 -0.453 9.002) 14.806 12.053 ( 3.017 3.563 -3.219) 5.671 12.224 ( 0.495 3.962 0.020) 3.992 12.289 ( 4.118 -5.088 -3.138) 7.259 12.481 ( -1.438 -5.515 0.765) 5.750 12.572 ( -4.723 2.590 0.722) 5.435 12.665 ( 4.007 2.813 0.428) 4.915 12.717 ( -4.968 -1.855 6.131) 8.107 12.833 ( 5.466 -3.382 -3.130) 7.149 13.005 ( -8.598 4.583 -1.708) 9.892 13.116 ( -3.673 4.648 9.241) 10.977 13.205 ( -7.968 -2.966 5.676) 10.223 13.384 ( -6.394 -5.647 1.812) 8.721 13.573 ( -6.685 2.600 13.079) 14.916 13.694 ( -3.508 -2.517 14.541) 15.168 13.748 ( 2.751 2.880 1.341) 4.203 13.910 ( 6.980 -4.093 3.110) 8.669 14.068 ( 0.243 2.674 0.460) 2.724 14.128 ( 3.316 3.198 0.708) 4.662 14.186 ( -1.112 -2.448 0.674) 2.772 14.261 ( 1.442 0.222 -3.097) 3.423 14.296 ( 1.589 -1.118 2.762) 3.377 14.344 ( 2.155 -1.917 -0.612) 2.949 14.420 ( -1.684 6.220 3.730) 7.445 14.441 ( 3.960 2.623 5.094) 6.965 14.614 ( 4.157 -2.507 4.144) 6.383 14.740 ( -2.422 -0.281 0.577) 2.506 14.799 ( 3.009 -4.201 0.063) 5.168 14.877 ( 2.449 -2.884 2.338) 4.448 15.118 ( 1.667 4.814 0.451) 5.114 15.166 ( 4.066 0.304 -0.225) 4.083 15.252 ( 5.090 -0.491 -2.787) 5.824 15.325 ( 1.205 -2.292 -3.631) 4.460 15.451 ( 5.966 3.063 -5.180) 8.475 15.605 ( 6.653 -3.555 -3.245) 8.211 15.774 ( -0.456 0.925 -7.929) 7.995 15.830 ( 0.332 -1.871 -5.969) 6.264 16.027 ( 7.289 5.130 -5.790) 10.629 16.084 ( 5.033 4.119 -7.705) 10.083 16.231 ( 11.000 -2.445 -12.371) 16.733 16.268 ( 7.365 -2.778 -10.664) 13.255 16.735 ( 9.567 0.879 -1.136) 9.674 16.804 ( 6.864 -1.714 -0.958) 7.139 17.025 ( 4.599 4.079 3.242) 6.950 17.218 ( 2.757 -3.185 7.336) 8.459 17.296 ( 1.729 1.611 0.084) 2.365 17.432 ( 0.029 -4.295 -2.662) 5.053 17.705 ( -6.192 8.107 1.714) 10.344 18.114 ( -13.522 -7.486 1.683) 15.547 ======================= Grid point 102 (39/75) ======================= q-point: ( 0.38 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 24.864 15.058 15.228) 32.816 2.325 ( 16.789 2.597 6.791) 18.296 2.541 ( 3.650 -8.051 -2.428) 9.167 2.558 ( 2.138 -5.136 -0.647) 5.601 3.070 ( -8.714 5.877 3.610) 11.113 3.171 ( -19.575 9.382 12.696) 25.148 3.491 ( 10.470 -2.147 12.795) 16.672 3.551 ( 7.424 -6.607 3.653) 10.589 3.604 ( 10.914 -0.186 5.825) 12.373 3.650 ( -3.761 -4.003 1.148) 5.611 4.033 ( -2.792 1.043 3.201) 4.374 4.076 ( 12.016 -3.826 6.708) 14.283 4.208 ( 7.132 -5.300 2.983) 9.373 4.265 ( 8.085 -0.518 8.984) 12.097 4.552 ( 3.117 6.398 4.830) 8.601 4.682 ( -6.800 0.496 7.370) 10.040 4.829 ( -9.399 5.312 -9.745) 14.544 5.050 ( -12.878 -2.763 1.193) 13.225 5.077 ( 5.776 -0.805 14.398) 15.534 5.124 ( 15.091 -1.816 21.623) 26.431 5.235 ( -0.747 4.683 10.228) 11.273 5.455 ( 4.632 -2.492 2.567) 5.853 5.568 ( -3.119 -0.217 -7.046) 7.708 5.737 ( -7.476 -5.367 -5.028) 10.487 6.348 ( -4.967 5.519 -1.575) 7.591 6.526 ( -4.020 -1.408 0.426) 4.281 7.012 ( 12.493 0.335 -20.440) 23.958 7.021 ( 15.360 -0.004 -21.752) 26.629 7.301 ( -43.169 0.671 17.268) 46.499 7.342 ( -42.510 -0.725 18.089) 46.204 7.758 ( -9.453 0.204 -28.426) 29.957 7.766 ( -9.199 -0.066 -28.714) 30.152 9.270 ( 0.991 0.166 -23.047) 23.069 9.281 ( 1.036 -0.223 -23.909) 23.932 9.441 ( -9.298 0.463 2.008) 9.523 9.465 ( -9.697 -0.392 1.694) 9.852 12.107 ( 2.345 3.445 -5.888) 7.213 12.206 ( -2.207 3.284 -1.483) 4.226 12.333 ( 0.889 -4.827 -5.355) 7.264 12.422 ( -3.603 -4.794 0.020) 5.997 12.544 ( 1.961 3.541 1.755) 4.412 12.704 ( -0.625 2.016 -2.425) 3.215 12.759 ( 5.447 -0.953 4.359) 7.041 12.883 ( -1.914 1.931 6.569) 7.110 12.940 ( 4.216 -2.982 2.958) 5.951 13.043 ( -2.445 3.511 11.285) 12.069 13.055 ( -6.398 -2.719 0.617) 6.980 13.256 ( -6.023 -4.088 8.564) 11.239 13.477 ( -1.852 4.530 10.100) 11.223 13.674 ( -7.459 4.794 3.232) 9.437 13.685 ( 2.953 -3.611 9.581) 10.656 13.943 ( -4.860 -5.002 1.014) 7.048 14.091 ( 2.185 2.189 -2.764) 4.148 14.158 ( 0.920 -0.522 0.250) 1.087 14.250 ( 2.843 -0.422 4.503) 5.342 14.269 ( -0.365 -0.290 -2.645) 2.686 14.347 ( 2.665 0.663 2.845) 3.954 14.380 ( -0.516 1.025 -0.275) 1.180 14.411 ( 3.948 1.806 6.459) 7.783 14.530 ( 5.156 3.489 3.166) 6.984 14.624 ( -2.959 -4.125 5.482) 7.471 14.691 ( -0.735 -2.102 3.504) 4.152 14.812 ( -0.108 0.426 4.041) 4.065 14.916 ( -1.865 -3.212 0.863) 3.813 15.202 ( 5.941 1.394 0.930) 6.173 15.268 ( 4.711 -1.023 0.196) 4.825 15.334 ( 4.110 0.336 -2.739) 4.950 15.395 ( 4.266 -0.948 -4.048) 5.957 15.546 ( 3.294 3.999 -7.632) 9.225 15.706 ( -0.681 -2.136 -6.429) 6.809 15.735 ( 0.623 0.462 -6.649) 6.694 15.816 ( -1.343 -2.041 -5.148) 5.698 16.139 ( 3.865 5.494 -5.205) 8.498 16.170 ( 2.915 3.630 -6.254) 7.796 16.386 ( 4.407 -2.725 -10.671) 11.862 16.389 ( 4.537 -2.363 -11.331) 12.432 16.935 ( 9.153 0.540 0.167) 9.171 16.981 ( 9.374 -1.437 0.190) 9.486 17.102 ( 2.504 2.933 3.722) 5.360 17.242 ( -0.936 -2.744 5.376) 6.108 17.341 ( 2.541 1.915 -2.707) 4.177 17.452 ( 0.690 -1.441 -0.009) 1.597 17.598 ( -2.656 3.870 -1.865) 5.051 17.856 ( -11.557 -4.852 0.937) 12.570 ======================= Grid point 103 (40/75) ======================= q-point: (-0.50 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.401 ( -15.379 0.223 11.660) 19.300 2.401 ( 15.379 0.223 11.660) 19.300 2.609 ( -2.890 -1.238 -3.636) 4.807 2.609 ( 2.890 -1.238 -3.636) 4.807 2.873 ( -4.690 12.820 4.376) 14.336 2.873 ( 4.690 12.820 4.376) 14.336 3.536 ( -3.742 -10.431 -1.048) 11.132 3.536 ( 3.742 -10.431 -1.048) 11.132 3.847 ( -11.968 1.508 6.637) 13.768 3.847 ( 11.968 1.508 6.637) 13.768 4.038 ( -20.023 -3.166 14.165) 24.730 4.038 ( 20.023 -3.166 14.165) 24.730 4.384 ( -8.360 -0.767 6.568) 10.659 4.384 ( 8.360 -0.767 6.568) 10.659 4.483 ( -15.993 -2.239 2.911) 16.409 4.483 ( 15.993 -2.239 2.911) 16.409 4.727 ( -4.881 4.153 6.455) 9.096 4.727 ( 4.881 4.153 6.455) 9.096 5.085 ( -3.578 4.548 -9.227) 10.891 5.085 ( 3.578 4.548 -9.227) 10.891 5.567 ( -4.731 -5.048 -7.731) 10.374 5.567 ( 4.731 -5.048 -7.731) 10.374 5.983 ( -12.641 -1.113 14.398) 19.192 5.983 ( 12.641 -1.113 14.398) 19.192 6.200 ( -29.694 2.229 25.300) 39.074 6.200 ( 29.694 2.229 25.300) 39.074 6.605 ( -11.035 0.292 8.226) 13.767 6.605 ( 11.035 0.292 8.226) 13.767 7.454 ( -7.015 -0.274 -27.729) 28.604 7.454 ( 7.015 -0.274 -27.729) 28.604 7.479 ( -7.126 0.357 -27.063) 27.988 7.479 ( 7.126 0.357 -27.063) 27.988 9.308 ( -2.086 -0.130 -10.802) 11.002 9.308 ( 2.086 -0.130 -10.802) 11.002 9.334 ( -2.465 0.134 -11.029) 11.302 9.334 ( 2.465 0.134 -11.029) 11.302 12.155 ( -2.527 3.137 -4.247) 5.853 12.155 ( 2.527 3.137 -4.247) 5.853 12.360 ( -2.201 -4.436 -2.563) 5.576 12.360 ( 2.201 -4.436 -2.563) 5.576 12.625 ( -5.171 4.322 -1.451) 6.894 12.625 ( 5.171 4.322 -1.451) 6.894 12.875 ( -3.583 -2.147 6.115) 7.406 12.875 ( 3.583 -2.147 6.115) 7.406 12.947 ( -0.767 -1.315 4.955) 5.184 12.947 ( 0.767 -1.315 4.955) 5.184 13.125 ( -6.990 -0.875 10.199) 12.396 13.125 ( 6.990 -0.875 10.199) 12.396 13.523 ( -6.022 5.407 5.317) 9.683 13.523 ( 6.022 5.407 5.317) 9.683 13.799 ( -7.490 -4.706 4.013) 9.713 13.799 ( 7.490 -4.706 4.013) 9.713 14.148 ( -2.380 1.335 -1.731) 3.232 14.148 ( 2.380 1.335 -1.731) 3.232 14.259 ( -0.453 -0.247 0.859) 1.002 14.259 ( 0.453 -0.247 0.859) 1.002 14.370 ( -0.770 1.607 1.428) 2.284 14.370 ( 0.770 1.607 1.428) 2.284 14.525 ( -5.324 -2.278 6.795) 8.928 14.525 ( 5.324 -2.278 6.795) 8.928 14.651 ( -3.841 0.749 3.548) 5.282 14.651 ( 3.841 0.749 3.548) 5.282 14.843 ( -3.531 -1.760 4.025) 5.636 14.843 ( 3.531 -1.760 4.025) 5.636 15.293 ( -2.050 -1.587 0.047) 2.593 15.293 ( 2.050 -1.587 0.047) 2.593 15.423 ( -2.574 1.701 -2.570) 4.015 15.423 ( 2.574 1.701 -2.570) 4.015 15.617 ( -4.661 1.244 -9.458) 10.618 15.617 ( 4.661 1.244 -9.458) 10.618 15.783 ( -1.934 -1.352 -4.998) 5.527 15.783 ( 1.934 -1.352 -4.998) 5.527 16.189 ( -0.967 4.073 -5.291) 6.747 16.189 ( 0.967 4.073 -5.291) 6.747 16.433 ( -0.196 -2.336 -10.524) 10.782 16.433 ( 0.196 -2.336 -10.524) 10.782 17.068 ( -3.009 0.717 2.367) 3.895 17.068 ( 3.009 0.717 2.367) 3.895 17.173 ( -5.553 -1.211 1.512) 5.881 17.173 ( 5.553 -1.211 1.512) 5.881 17.405 ( -3.771 2.708 -0.843) 4.719 17.405 ( 3.771 2.708 -0.843) 4.719 17.660 ( -7.428 -2.727 -0.852) 7.958 17.660 ( 7.428 -2.727 -0.852) 7.958 ======================= Grid point 108 (41/75) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.649 ( 0.000 -10.343 30.193) 31.916 1.649 ( 0.000 10.343 30.193) 31.916 1.979 ( 0.000 -26.720 13.257) 29.828 1.979 ( 0.000 26.720 13.257) 29.828 2.887 ( 0.000 -6.427 8.334) 10.524 2.887 ( 0.000 6.427 8.334) 10.524 2.965 ( 0.000 -19.532 37.224) 42.037 2.965 ( 0.000 19.532 37.224) 42.037 3.803 ( 0.000 -7.141 5.825) 9.216 3.803 ( 0.000 7.141 5.825) 9.216 3.944 ( 0.000 -8.016 1.113) 8.093 3.944 ( 0.000 8.016 1.113) 8.093 3.972 ( 0.000 -4.055 -1.139) 4.212 3.972 ( 0.000 4.055 -1.139) 4.212 4.445 ( 0.000 -5.007 4.082) 6.460 4.445 ( 0.000 5.007 4.082) 6.460 5.144 ( 0.000 -4.820 9.010) 10.218 5.144 ( 0.000 4.820 9.010) 10.218 5.239 ( 0.000 -5.545 -18.409) 19.226 5.239 ( 0.000 5.545 -18.409) 19.226 5.856 ( 0.000 -5.625 -2.854) 6.308 5.856 ( 0.000 5.625 -2.854) 6.308 6.223 ( 0.000 -0.526 -29.389) 29.393 6.223 ( 0.000 0.526 -29.389) 29.393 6.733 ( 0.000 -3.571 -4.915) 6.075 6.733 ( 0.000 3.571 -4.915) 6.075 6.996 ( 0.000 -0.217 -6.684) 6.687 6.996 ( 0.000 0.217 -6.684) 6.687 7.263 ( 0.000 -0.890 -4.814) 4.896 7.263 ( 0.000 0.890 -4.814) 4.896 9.249 ( 0.000 -0.502 -41.620) 41.623 9.249 ( 0.000 0.502 -41.620) 41.623 9.583 ( 0.000 -0.505 17.323) 17.331 9.583 ( 0.000 0.505 17.323) 17.331 9.823 ( 0.000 -0.096 11.272) 11.273 9.823 ( 0.000 0.096 11.272) 11.273 12.044 ( 0.000 -4.444 3.507) 5.661 12.044 ( 0.000 4.444 3.507) 5.661 12.341 ( 0.000 -7.297 -0.799) 7.340 12.341 ( 0.000 7.297 -0.799) 7.340 12.601 ( 0.000 -3.329 -1.760) 3.765 12.601 ( 0.000 3.329 -1.760) 3.765 12.993 ( 0.000 -2.884 3.324) 4.400 12.993 ( 0.000 2.884 3.324) 4.400 13.267 ( 0.000 -5.276 -4.778) 7.118 13.267 ( 0.000 5.276 -4.778) 7.118 13.360 ( 0.000 -2.780 8.959) 9.381 13.360 ( 0.000 2.780 8.959) 9.381 13.533 ( 0.000 -6.771 -3.971) 7.850 13.533 ( 0.000 6.771 -3.971) 7.850 13.963 ( 0.000 -3.390 15.167) 15.542 13.963 ( 0.000 3.390 15.167) 15.542 14.071 ( 0.000 -0.866 -0.119) 0.874 14.071 ( 0.000 0.866 -0.119) 0.874 14.154 ( 0.000 -1.892 3.348) 3.846 14.154 ( 0.000 1.892 3.348) 3.846 14.302 ( 0.000 -5.396 3.642) 6.510 14.302 ( 0.000 5.396 3.642) 6.510 14.329 ( 0.000 -1.459 -1.437) 2.047 14.329 ( 0.000 1.459 -1.437) 2.047 14.543 ( 0.000 -3.407 -5.520) 6.487 14.543 ( 0.000 3.407 -5.520) 6.487 14.934 ( 0.000 -5.122 8.796) 10.179 14.934 ( 0.000 5.122 8.796) 10.179 15.033 ( 0.000 -1.007 -5.672) 5.760 15.033 ( 0.000 1.007 -5.672) 5.760 15.251 ( 0.000 -0.355 -2.976) 2.997 15.251 ( 0.000 0.355 -2.976) 2.997 15.431 ( 0.000 -7.665 -4.307) 8.793 15.431 ( 0.000 7.665 -4.307) 8.793 15.561 ( 0.000 -0.738 -3.102) 3.189 15.561 ( 0.000 0.738 -3.102) 3.189 15.911 ( 0.000 -4.516 -8.689) 9.793 15.911 ( 0.000 4.516 -8.689) 9.793 15.956 ( 0.000 -0.669 -8.572) 8.599 15.956 ( 0.000 0.669 -8.572) 8.599 16.620 ( 0.000 -3.884 -2.247) 4.487 16.620 ( 0.000 3.884 -2.247) 4.487 17.034 ( 0.000 -5.504 3.487) 6.515 17.034 ( 0.000 5.504 3.486) 6.515 17.342 ( 0.000 -4.086 3.269) 5.233 17.342 ( 0.000 4.086 3.269) 5.233 18.160 ( 0.000 -15.157 4.290) 15.753 18.160 ( 0.000 15.157 4.290) 15.753 ======================= Grid point 110 (42/75) ======================= q-point: ( 0.12 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.808 ( 12.556 -12.110 22.104) 28.159 1.808 ( 12.556 12.110 22.104) 28.159 2.042 ( 5.733 -25.582 10.683) 28.310 2.042 ( 5.733 25.582 10.683) 28.310 2.949 ( 7.063 -7.444 10.821) 14.913 2.949 ( 7.063 7.444 10.821) 14.913 3.126 ( 15.478 -13.961 33.469) 39.429 3.126 ( 15.478 13.961 33.469) 39.429 3.710 ( -7.722 -3.955 1.037) 8.737 3.710 ( -7.722 3.955 1.037) 8.737 3.912 ( -2.209 -5.560 3.245) 6.807 3.912 ( -2.209 5.560 3.245) 6.807 4.035 ( 4.067 -3.359 3.367) 6.258 4.035 ( 4.067 3.359 3.367) 6.258 4.432 ( -0.857 -5.343 5.967) 8.056 4.432 ( -0.857 5.343 5.967) 8.056 5.050 ( -6.715 -1.875 3.537) 7.818 5.050 ( -6.715 1.875 3.537) 7.818 5.226 ( -2.862 -6.906 -13.411) 15.354 5.226 ( -2.862 6.906 -13.411) 15.354 5.814 ( -3.594 -5.990 -4.419) 8.266 5.814 ( -3.594 5.990 -4.419) 8.266 6.313 ( 4.914 -1.036 -22.613) 23.164 6.313 ( 4.914 1.036 -22.613) 23.164 6.500 ( -21.282 -1.456 -2.085) 21.433 6.500 ( -21.282 1.456 -2.085) 21.433 6.761 ( -7.971 -4.378 -5.151) 10.452 6.761 ( -7.971 4.378 -5.151) 10.452 7.553 ( 15.480 -0.122 -13.239) 20.369 7.553 ( 15.480 0.122 -13.239) 20.369 9.127 ( -29.147 -0.247 8.023) 30.232 9.127 ( -29.147 0.247 8.023) 30.232 9.281 ( -4.697 -0.269 -30.150) 30.515 9.281 ( -4.697 0.269 -30.150) 30.515 9.856 ( -3.279 -0.394 11.324) 11.796 9.856 ( -3.279 0.394 11.324) 11.796 12.084 ( 3.534 -4.887 1.794) 6.293 12.084 ( 3.534 4.888 1.794) 6.293 12.342 ( 0.111 -7.010 -0.008) 7.011 12.342 ( 0.111 7.010 -0.008) 7.011 12.637 ( 3.349 -3.575 -2.282) 5.404 12.637 ( 3.349 3.575 -2.282) 5.404 12.838 ( -10.507 -3.030 2.182) 11.151 12.838 ( -10.507 3.030 2.182) 11.151 13.264 ( -2.868 -3.620 9.141) 10.241 13.264 ( -2.868 3.620 9.141) 10.241 13.338 ( -5.530 -7.101 -8.424) 12.328 13.338 ( -5.530 7.101 -8.424) 12.328 13.597 ( 8.688 -3.069 5.466) 10.713 13.597 ( 8.688 3.069 5.466) 10.713 13.828 ( -8.377 -2.551 12.890) 15.583 13.828 ( -8.377 2.551 12.890) 15.583 14.139 ( 2.517 -1.959 -1.740) 3.633 14.139 ( 2.517 1.959 -1.740) 3.633 14.193 ( 1.348 -3.867 4.138) 5.822 14.193 ( 1.348 3.867 4.138) 5.822 14.261 ( -0.209 -2.481 -0.318) 2.510 14.261 ( -0.209 2.481 -0.318) 2.510 14.407 ( 5.125 -3.486 4.329) 7.560 14.407 ( 5.125 3.486 4.329) 7.560 14.591 ( 4.108 -3.936 -5.734) 8.078 14.591 ( 4.108 3.936 -5.734) 8.078 14.838 ( -5.685 -4.092 7.311) 10.125 14.838 ( -5.685 4.092 7.311) 10.125 15.090 ( 4.353 -0.851 -3.788) 5.832 15.090 ( 4.353 0.851 -3.788) 5.832 15.287 ( -0.737 -1.562 -2.146) 2.755 15.287 ( -0.737 1.562 -2.146) 2.755 15.386 ( 3.593 -5.356 -2.536) 6.931 15.386 ( 3.593 5.356 -2.536) 6.931 15.746 ( 8.007 -1.469 -7.468) 11.047 15.746 ( 8.007 1.469 -7.468) 11.047 15.944 ( 6.692 -2.805 -8.570) 11.229 15.944 ( 6.692 2.805 -8.570) 11.229 16.043 ( 6.729 -2.712 -8.723) 11.346 16.043 ( 6.729 2.712 -8.723) 11.346 16.651 ( 3.246 -3.251 -2.056) 5.033 16.651 ( 3.246 3.251 -2.056) 5.033 17.061 ( 2.604 -5.296 3.994) 7.126 17.061 ( 2.604 5.296 3.994) 7.126 17.339 ( -0.076 -3.810 1.875) 4.247 17.339 ( -0.076 3.810 1.875) 4.247 18.084 ( -6.967 -13.316 3.979) 15.547 18.084 ( -6.967 13.316 3.979) 15.547 ======================= Grid point 112 (43/75) ======================= q-point: ( 0.25 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 10.799 -18.612 7.691) 22.851 2.048 ( 10.799 18.612 7.691) 22.851 2.205 ( 10.363 -14.587 10.891) 20.947 2.205 ( 10.363 14.587 10.891) 20.947 3.158 ( 12.599 -1.634 13.814) 18.767 3.158 ( 12.599 1.634 13.814) 18.767 3.445 ( 1.225 -4.296 7.069) 8.362 3.445 ( 1.225 4.296 7.069) 8.362 3.619 ( 5.995 -3.134 5.732) 8.867 3.619 ( 5.995 3.134 5.732) 8.867 3.840 ( -0.477 -5.276 8.852) 10.316 3.840 ( -0.477 5.276 8.852) 10.316 4.145 ( 5.983 -2.515 7.479) 9.903 4.145 ( 5.983 2.515 7.479) 9.903 4.460 ( 6.626 -4.439 13.707) 15.859 4.460 ( 6.626 4.439 13.707) 15.859 4.935 ( -3.317 -3.623 5.998) 7.752 4.935 ( -3.317 3.623 5.998) 7.752 5.130 ( -5.889 -7.775 -14.423) 17.411 5.130 ( -5.889 7.775 -14.423) 17.411 5.710 ( -8.328 -6.191 -4.740) 11.409 5.710 ( -8.328 6.191 -4.740) 11.409 5.868 ( -28.680 -2.360 6.834) 29.577 5.868 ( -28.680 2.360 6.834) 29.577 6.539 ( 1.688 -3.654 -12.731) 13.352 6.539 ( 1.688 3.654 -12.731) 13.352 6.699 ( 8.246 -1.589 -15.456) 17.590 6.699 ( 8.246 1.589 -15.456) 17.590 7.771 ( 4.842 -0.149 -22.060) 22.586 7.771 ( 4.842 0.149 -22.060) 22.586 8.317 ( -45.869 -0.215 18.513) 49.464 8.317 ( -45.869 0.215 18.513) 49.464 9.266 ( 0.130 -0.298 -33.349) 33.351 9.266 ( 0.130 0.298 -33.349) 33.351 9.685 ( -11.852 -0.652 9.035) 14.917 9.685 ( -11.852 0.652 9.035) 14.917 12.161 ( 3.392 -5.699 -3.095) 7.319 12.161 ( 3.392 5.699 -3.095) 7.319 12.343 ( -0.415 -6.187 0.882) 6.264 12.343 ( -0.415 6.187 0.882) 6.264 12.646 ( -4.459 -3.392 2.796) 6.261 12.646 ( -4.459 3.392 2.796) 6.261 12.749 ( 4.707 -3.684 -1.061) 6.071 12.749 ( 4.707 3.684 -1.061) 6.071 13.114 ( -9.339 -4.825 1.940) 10.690 13.114 ( -9.339 4.825 1.940) 10.690 13.246 ( -4.184 -6.374 4.558) 8.883 13.246 ( -4.184 6.374 4.558) 8.883 13.631 ( -4.931 -2.764 14.280) 15.358 13.631 ( -4.931 2.764 14.280) 15.358 13.824 ( 5.343 -3.651 2.384) 6.896 13.824 ( 5.343 3.651 2.384) 6.896 14.127 ( -1.945 -2.600 -0.265) 3.258 14.127 ( -1.945 2.600 -0.265) 3.258 14.212 ( 2.273 -3.648 4.518) 6.236 14.212 ( 2.273 3.648 4.518) 6.236 14.306 ( 2.730 -1.391 -3.943) 4.994 14.306 ( 2.730 1.391 -3.943) 4.994 14.499 ( 3.190 -1.903 5.990) 7.048 14.499 ( 3.190 1.903 5.990) 7.048 14.626 ( -1.827 -5.897 0.088) 6.174 14.626 ( -1.827 5.897 0.088) 6.174 14.815 ( 3.398 -2.627 1.875) 4.686 14.815 ( 3.398 2.627 1.875) 4.686 15.172 ( 2.894 -0.424 -0.011) 2.925 15.172 ( 2.894 0.424 -0.011) 2.925 15.272 ( 2.047 -2.248 -2.591) 3.995 15.272 ( 2.047 2.248 -2.591) 3.995 15.525 ( 7.479 -3.507 -4.319) 9.322 15.525 ( 7.479 3.507 -4.319) 9.322 15.795 ( -0.609 -1.171 -7.286) 7.404 15.795 ( -0.609 1.171 -7.286) 7.404 16.138 ( 8.035 -4.091 -8.820) 12.613 16.138 ( 8.035 4.091 -8.820) 12.613 16.193 ( 7.896 -3.581 -9.519) 12.875 16.193 ( 7.896 3.581 -9.519) 12.875 16.764 ( 8.086 -1.676 -1.232) 8.349 16.764 ( 8.086 1.676 -1.232) 8.349 17.128 ( 3.448 -4.629 5.451) 7.939 17.128 ( 3.448 4.629 5.451) 7.939 17.349 ( 1.281 -3.079 -1.512) 3.662 17.349 ( 1.281 3.079 -1.512) 3.662 17.909 ( -9.538 -9.802 2.695) 13.940 17.909 ( -9.538 9.802 2.695) 13.940 ======================= Grid point 114 (44/75) ======================= q-point: ( 0.38 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.277 ( 11.331 -14.366 5.926) 19.232 2.277 ( 11.331 14.366 5.926) 19.233 2.428 ( 11.019 -5.385 2.755) 12.571 2.428 ( 11.019 5.385 2.755) 12.571 3.268 ( -5.673 -11.300 2.316) 12.855 3.268 ( -5.673 11.300 2.316) 12.855 3.402 ( -5.548 -9.768 8.232) 13.927 3.402 ( -5.548 9.768 8.232) 13.927 3.617 ( 9.055 -0.786 8.856) 12.690 3.617 ( 9.055 0.786 8.856) 12.690 4.029 ( 7.249 -0.422 3.662) 8.133 4.029 ( 7.249 0.422 3.662) 8.133 4.199 ( 1.692 -3.526 6.504) 7.589 4.199 ( 1.692 3.526 6.504) 7.589 4.668 ( 1.809 -3.086 5.325) 6.415 4.668 ( 1.809 3.086 5.325) 6.415 4.951 ( -14.961 -5.240 -2.782) 16.095 4.951 ( -14.961 5.240 -2.782) 16.095 5.086 ( 18.885 -1.248 21.222) 28.435 5.086 ( 18.885 1.248 21.222) 28.435 5.356 ( -3.392 -5.593 3.414) 7.378 5.356 ( -3.392 5.593 3.414) 7.378 5.619 ( -4.281 -4.409 -6.861) 9.211 5.619 ( -4.281 4.409 -6.861) 9.211 6.464 ( -5.041 -4.229 -0.430) 6.594 6.464 ( -5.041 4.229 -0.430) 6.594 7.019 ( 14.254 -0.200 -21.140) 25.497 7.019 ( 14.254 0.200 -21.140) 25.497 7.321 ( -42.967 -1.028 17.694) 46.479 7.321 ( -42.967 1.028 17.694) 46.479 7.763 ( -9.347 -0.200 -28.491) 29.985 7.763 ( -9.347 0.200 -28.491) 29.986 9.275 ( 0.970 -0.266 -23.440) 23.462 9.275 ( 0.970 0.266 -23.440) 23.462 9.454 ( -9.459 -0.597 1.792) 9.645 9.454 ( -9.459 0.597 1.792) 9.645 12.209 ( 1.667 -5.323 -5.615) 7.915 12.209 ( 1.667 5.323 -5.615) 7.915 12.307 ( -2.805 -5.013 -0.834) 5.805 12.307 ( -2.805 5.013 -0.834) 5.805 12.637 ( 3.232 -4.447 3.100) 6.311 12.637 ( 3.232 4.447 3.100) 6.311 12.848 ( 3.043 -4.893 -0.244) 5.767 12.848 ( 3.043 4.893 -0.244) 5.767 12.951 ( -5.595 -4.054 4.188) 8.080 12.951 ( -5.595 4.054 4.188) 8.080 13.158 ( -3.945 -4.746 9.853) 11.626 13.158 ( -3.945 4.746 9.853) 11.626 13.584 ( 0.856 -4.883 10.142) 11.288 13.584 ( 0.856 4.883 10.142) 11.288 13.810 ( -5.906 -6.528 1.829) 8.991 13.810 ( -5.906 6.528 1.829) 8.991 14.134 ( 2.168 -1.479 -0.634) 2.700 14.134 ( 2.168 1.479 -0.634) 2.700 14.258 ( 0.896 -0.712 1.221) 1.673 14.258 ( 0.896 0.712 1.221) 1.673 14.365 ( 3.130 -0.993 1.519) 3.618 14.365 ( 3.130 0.993 1.519) 3.618 14.507 ( -1.800 -5.442 4.136) 7.068 14.507 ( -1.800 5.442 4.136) 7.068 14.619 ( 2.147 -3.957 3.520) 5.715 14.619 ( 2.147 3.957 3.520) 5.715 14.848 ( -1.043 -2.564 2.579) 3.783 14.848 ( -1.043 2.564 2.579) 3.783 15.234 ( 3.518 -1.543 1.323) 4.062 15.234 ( 3.518 1.543 1.323) 4.062 15.363 ( 5.597 -1.631 -3.743) 6.928 15.363 ( 5.597 1.631 -3.743) 6.928 15.636 ( 2.505 -3.736 -6.280) 7.725 15.636 ( 2.505 3.736 -6.280) 7.725 15.768 ( -1.196 -2.038 -6.468) 6.886 15.768 ( -1.196 2.038 -6.468) 6.886 16.235 ( 2.507 -0.608 -8.572) 8.952 16.235 ( 2.507 0.608 -8.572) 8.952 16.334 ( 5.125 -0.509 -8.527) 9.961 16.334 ( 5.125 0.509 -8.527) 9.961 16.952 ( 9.346 -1.045 0.048) 9.404 16.952 ( 9.346 1.045 0.048) 9.404 17.173 ( 0.524 -3.276 4.718) 5.768 17.173 ( 0.524 3.276 4.718) 5.768 17.397 ( 3.298 -2.884 -2.191) 4.898 17.397 ( 3.298 2.884 -2.191) 4.898 17.722 ( -8.449 -6.460 0.591) 10.652 17.722 ( -8.449 6.460 0.591) 10.652 ======================= Grid point 116 (45/75) ======================= q-point: (-0.50 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.411 ( -0.000 -0.000 7.350) 7.350 2.411 ( 0.000 0.000 7.350) 7.350 2.584 ( -0.000 0.000 -2.412) 2.412 2.584 ( -0.000 0.000 -2.412) 2.412 3.182 ( -0.000 -0.000 -0.383) 0.383 3.182 ( -0.000 0.000 -0.383) 0.383 3.261 ( 0.000 -0.000 5.646) 5.646 3.261 ( 0.000 0.000 5.646) 5.646 3.884 ( 0.000 0.000 9.740) 9.740 3.884 ( 0.000 0.000 9.740) 9.740 3.973 ( -0.000 -0.000 11.603) 11.603 3.973 ( -0.000 0.000 11.603) 11.603 4.400 ( -0.000 0.000 3.123) 3.123 4.400 ( 0.000 0.000 3.123) 3.123 4.435 ( -0.000 -0.000 6.188) 6.188 4.435 ( 0.000 0.000 6.188) 6.188 4.780 ( 0.000 0.000 5.417) 5.417 4.780 ( 0.000 0.000 5.417) 5.417 5.160 ( 0.000 0.000 -6.382) 6.382 5.160 ( 0.000 0.000 -6.382) 6.382 5.486 ( 0.000 0.000 -10.087) 10.087 5.486 ( 0.000 0.000 -10.087) 10.087 5.968 ( -0.000 0.000 15.820) 15.820 5.968 ( -0.000 0.000 15.820) 15.820 6.230 ( 0.000 0.000 25.108) 25.108 6.230 ( 0.000 0.000 25.108) 25.108 6.609 ( -0.000 0.000 7.132) 7.132 6.609 ( 0.000 0.000 7.132) 7.132 7.451 ( 0.000 0.000 -27.940) 27.940 7.451 ( 0.000 -0.000 -27.940) 27.940 7.484 ( -0.000 0.000 -26.791) 26.791 7.484 ( -0.000 0.000 -26.791) 26.791 9.306 ( -0.000 0.000 -11.070) 11.070 9.306 ( 0.000 0.000 -11.070) 11.070 9.335 ( -0.000 0.000 -10.785) 10.785 9.335 ( 0.000 0.000 -10.785) 10.785 12.237 ( -0.000 -0.000 -3.809) 3.809 12.237 ( 0.000 -0.000 -3.809) 3.809 12.262 ( -0.000 0.000 -3.185) 3.185 12.262 ( 0.000 0.000 -3.185) 3.185 12.704 ( 0.000 0.000 -2.052) 2.052 12.704 ( 0.000 -0.000 -2.052) 2.052 12.814 ( -0.000 0.000 1.937) 1.937 12.814 ( 0.000 0.000 1.937) 1.937 12.939 ( -0.000 0.000 9.675) 9.675 12.939 ( 0.000 0.000 9.675) 9.675 13.112 ( -0.000 0.000 10.693) 10.693 13.112 ( 0.000 0.000 10.693) 10.693 13.652 ( 0.000 -0.000 6.880) 6.880 13.652 ( 0.000 0.000 6.880) 6.880 13.680 ( -0.000 -0.000 1.936) 1.936 13.680 ( -0.000 0.000 1.936) 1.936 14.167 ( 0.000 0.000 -0.829) 0.829 14.167 ( -0.000 0.000 -0.829) 0.829 14.256 ( 0.000 0.000 -1.108) 1.108 14.256 ( 0.000 0.000 -1.108) 1.108 14.401 ( 0.000 0.000 5.010) 5.010 14.401 ( 0.000 0.000 5.010) 5.010 14.483 ( 0.000 -0.000 3.851) 3.851 14.483 ( 0.000 0.000 3.851) 3.851 14.661 ( 0.000 0.000 3.350) 3.350 14.661 ( 0.000 0.000 3.350) 3.350 14.819 ( -0.000 0.000 4.443) 4.443 14.819 ( 0.000 0.000 4.443) 4.443 15.276 ( -0.000 0.000 0.918) 0.918 15.276 ( 0.000 0.000 0.918) 0.918 15.439 ( 0.000 0.000 -3.248) 3.248 15.439 ( 0.000 0.000 -3.248) 3.248 15.638 ( 0.000 0.000 -8.141) 8.141 15.638 ( -0.000 0.000 -8.141) 8.141 15.763 ( 0.000 0.000 -5.784) 5.784 15.763 ( 0.000 0.000 -5.784) 5.784 16.259 ( 0.000 0.000 -8.274) 8.274 16.259 ( 0.000 0.000 -8.274) 8.274 16.387 ( 0.000 -0.000 -7.973) 7.973 16.387 ( 0.000 0.000 -7.973) 7.973 17.080 ( -0.000 0.000 2.572) 2.572 17.080 ( 0.000 0.000 2.572) 2.572 17.155 ( -0.000 0.000 0.992) 0.992 17.155 ( 0.000 -0.000 0.992) 0.992 17.450 ( -0.000 -0.000 0.535) 0.535 17.450 ( -0.000 0.000 0.535) 0.535 17.613 ( 0.000 0.000 -1.735) 1.735 17.613 ( 0.000 0.000 -1.735) 1.735 ======================= Grid point 135 (46/75) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.632 ( 0.000 0.000 39.716) 39.716 2.024 ( 0.000 0.000 28.120) 28.120 2.710 ( 0.000 0.000 2.824) 2.824 2.741 ( 0.000 0.000 38.648) 38.648 2.805 ( 0.000 0.000 -4.586) 4.586 3.298 ( 0.000 0.000 15.992) 15.992 3.312 ( 0.000 0.000 26.740) 26.740 3.646 ( 0.000 0.000 -3.900) 3.900 3.787 ( 0.000 0.000 29.550) 29.550 3.839 ( 0.000 0.000 -2.024) 2.024 3.990 ( 0.000 0.000 1.318) 1.318 4.048 ( 0.000 0.000 -2.496) 2.496 4.187 ( 0.000 0.000 -16.188) 16.188 4.197 ( 0.000 0.000 -4.337) 4.337 4.238 ( 0.000 0.000 9.845) 9.845 4.744 ( 0.000 0.000 37.132) 37.132 4.813 ( 0.000 0.000 0.366) 0.366 5.218 ( 0.000 0.000 7.251) 7.251 5.222 ( 0.000 0.000 -13.745) 13.745 5.372 ( 0.000 0.000 -4.056) 4.056 5.496 ( 0.000 0.000 -36.025) 36.025 5.574 ( 0.000 0.000 7.500) 7.500 5.593 ( 0.000 0.000 -25.604) 25.604 6.235 ( 0.000 0.000 7.113) 7.113 6.352 ( 0.000 0.000 -3.864) 3.864 6.815 ( 0.000 0.000 3.971) 3.971 6.879 ( 0.000 0.000 -3.898) 3.898 6.890 ( 0.000 0.000 -4.039) 4.039 7.180 ( 0.000 0.000 -3.824) 3.824 7.186 ( 0.000 0.000 -2.211) 2.211 8.246 ( 0.000 0.000 -54.442) 54.442 8.252 ( 0.000 0.000 -51.117) 51.117 9.915 ( 0.000 0.000 14.857) 14.857 9.943 ( 0.000 0.000 14.859) 14.859 10.070 ( 0.000 0.000 11.131) 11.131 10.078 ( 0.000 0.000 11.699) 11.699 12.006 ( 0.000 0.000 3.968) 3.968 12.129 ( 0.000 0.000 1.528) 1.528 12.277 ( 0.000 0.000 4.531) 4.531 12.395 ( 0.000 0.000 -3.237) 3.237 12.702 ( 0.000 0.000 0.340) 0.340 12.742 ( 0.000 0.000 5.188) 5.188 12.851 ( 0.000 0.000 -9.810) 9.810 13.011 ( 0.000 0.000 6.189) 6.189 13.145 ( 0.000 0.000 4.561) 4.561 13.345 ( 0.000 0.000 -8.762) 8.762 13.373 ( 0.000 0.000 4.462) 4.462 13.452 ( 0.000 0.000 7.820) 7.820 13.611 ( 0.000 0.000 7.579) 7.579 13.744 ( 0.000 0.000 6.232) 6.232 13.922 ( 0.000 0.000 -9.623) 9.623 13.971 ( 0.000 0.000 -5.372) 5.372 13.978 ( 0.000 0.000 -10.647) 10.647 14.151 ( 0.000 0.000 0.389) 0.389 14.273 ( 0.000 0.000 -1.054) 1.054 14.287 ( 0.000 0.000 1.218) 1.218 14.310 ( 0.000 0.000 2.351) 2.351 14.325 ( 0.000 0.000 4.644) 4.644 14.339 ( 0.000 0.000 13.629) 13.629 14.390 ( 0.000 0.000 4.708) 4.708 14.450 ( 0.000 0.000 5.814) 5.814 14.804 ( 0.000 0.000 7.550) 7.550 14.893 ( 0.000 0.000 0.449) 0.449 14.951 ( 0.000 0.000 0.685) 0.685 14.983 ( 0.000 0.000 -0.804) 0.804 15.120 ( 0.000 0.000 1.517) 1.517 15.168 ( 0.000 0.000 -4.511) 4.511 15.213 ( 0.000 0.000 -1.777) 1.777 15.343 ( 0.000 0.000 7.435) 7.435 15.478 ( 0.000 0.000 -6.124) 6.124 15.481 ( 0.000 0.000 -3.007) 3.007 15.486 ( 0.000 0.000 -4.474) 4.474 15.587 ( 0.000 0.000 -8.955) 8.955 15.755 ( 0.000 0.000 -8.552) 8.552 15.772 ( 0.000 0.000 -10.014) 10.014 15.845 ( 0.000 0.000 -9.641) 9.641 16.453 ( 0.000 0.000 -1.444) 1.444 16.708 ( 0.000 0.000 -0.365) 0.365 16.769 ( 0.000 0.000 -7.251) 7.251 17.155 ( 0.000 0.000 -7.201) 7.201 17.374 ( 0.000 0.000 6.417) 6.417 17.627 ( 0.000 0.000 9.244) 9.244 17.817 ( 0.000 0.000 4.237) 4.237 18.496 ( 0.000 0.000 -9.802) 9.802 ======================= Grid point 136 (47/75) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( 2.819 0.000 38.403) 38.506 2.082 ( 5.315 0.000 23.944) 24.527 2.664 ( -4.000 0.000 1.015) 4.127 2.747 ( -5.278 0.000 -3.733) 6.464 2.936 ( 17.783 0.000 36.051) 40.198 3.342 ( 3.910 0.000 19.389) 19.779 3.454 ( 10.506 0.000 17.659) 20.548 3.568 ( -4.799 0.000 -7.125) 8.590 3.788 ( -3.408 0.000 -1.843) 3.874 3.890 ( 8.689 0.000 19.845) 21.664 3.947 ( -1.879 0.000 5.149) 5.481 4.106 ( -6.595 0.000 0.215) 6.598 4.108 ( 2.531 0.000 -2.461) 3.530 4.191 ( -0.458 0.000 -14.048) 14.056 4.304 ( 5.696 0.000 9.641) 11.198 4.770 ( -4.559 0.000 1.568) 4.821 4.848 ( 10.760 0.000 38.184) 39.671 5.096 ( -7.111 0.000 -10.967) 13.071 5.200 ( -2.316 0.000 8.662) 8.966 5.402 ( -3.419 0.000 3.802) 5.114 5.499 ( -0.032 0.000 -7.223) 7.223 5.642 ( 8.037 0.000 -21.205) 22.677 5.701 ( 12.454 0.000 -32.341) 34.656 6.181 ( -5.564 0.000 4.933) 7.436 6.343 ( -0.733 0.000 -4.034) 4.100 6.553 ( -21.893 0.000 6.502) 22.838 6.610 ( -21.705 0.000 3.824) 22.039 6.816 ( -4.693 0.000 0.827) 4.766 7.281 ( 4.859 0.000 -12.322) 13.246 7.292 ( 4.761 0.000 -11.710) 12.641 8.291 ( 4.428 0.000 -52.074) 52.262 8.299 ( 4.484 0.000 -48.871) 49.076 9.548 ( -29.796 0.000 18.853) 35.259 9.553 ( -30.879 0.000 19.155) 36.337 10.042 ( -7.586 0.000 6.663) 10.097 10.068 ( -7.109 0.000 6.605) 9.704 11.982 ( -1.752 0.000 1.213) 2.132 12.163 ( 2.534 0.000 2.623) 3.647 12.285 ( 0.361 0.000 1.748) 1.785 12.413 ( 1.607 0.000 -3.943) 4.258 12.712 ( -9.079 0.000 -5.066) 10.397 12.721 ( 1.310 0.000 0.677) 1.475 12.734 ( -0.529 0.000 3.392) 3.433 13.009 ( -7.881 0.000 4.586) 9.118 13.032 ( -0.715 0.000 4.881) 4.933 13.345 ( -2.136 0.000 8.069) 8.347 13.404 ( -1.323 0.000 -5.983) 6.127 13.567 ( -1.595 0.000 8.492) 8.640 13.569 ( 8.991 0.000 2.267) 9.273 13.812 ( 7.944 0.000 3.420) 8.649 13.857 ( -8.166 0.000 -3.357) 8.829 13.940 ( 1.034 0.000 -7.951) 8.018 14.053 ( 4.395 0.000 -7.131) 8.377 14.143 ( 1.213 0.000 0.905) 1.514 14.163 ( -6.723 0.000 3.528) 7.593 14.232 ( -6.867 0.000 3.853) 7.874 14.291 ( -0.164 0.000 2.508) 2.514 14.373 ( 5.786 0.000 5.257) 7.817 14.447 ( -0.184 0.000 3.984) 3.989 14.450 ( 7.819 0.000 7.660) 10.946 14.567 ( 10.882 0.000 4.859) 11.918 14.765 ( -1.452 0.000 6.138) 6.307 14.877 ( -0.371 0.000 1.530) 1.574 14.983 ( 1.620 0.000 0.852) 1.831 15.006 ( -1.903 0.000 -2.023) 2.777 15.113 ( 4.284 0.000 2.801) 5.118 15.204 ( 2.670 0.000 -4.923) 5.600 15.215 ( 0.256 0.000 4.345) 4.352 15.320 ( 0.621 0.000 0.919) 1.109 15.460 ( 0.638 0.000 -7.581) 7.607 15.558 ( 4.965 0.000 -4.699) 6.836 15.663 ( 9.392 0.000 -4.655) 10.482 15.674 ( 7.991 0.000 -7.908) 11.243 15.786 ( 2.872 0.000 -7.314) 7.858 15.819 ( 6.185 0.000 -8.259) 10.318 15.917 ( 5.903 0.000 -11.360) 12.802 16.519 ( 6.491 0.000 -1.189) 6.599 16.728 ( 2.279 0.000 -0.352) 2.306 16.816 ( 4.615 0.000 -6.723) 8.155 17.191 ( 3.677 0.000 -6.638) 7.589 17.352 ( -2.007 0.000 5.504) 5.859 17.594 ( -3.105 0.000 8.274) 8.837 17.769 ( -4.625 0.000 3.817) 5.996 18.394 ( -9.398 0.000 -7.824) 12.229 ======================= Grid point 137 (48/75) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 14.391 0.000 33.803) 36.739 2.224 ( 8.600 0.000 14.542) 16.895 2.573 ( -4.317 0.000 -2.926) 5.216 2.637 ( -4.480 0.000 -1.303) 4.666 3.247 ( -12.432 0.000 -0.699) 12.451 3.387 ( 25.251 0.000 31.150) 40.099 3.552 ( 7.196 0.000 7.504) 10.397 3.683 ( -3.619 0.000 -2.890) 4.631 3.797 ( 11.077 0.000 10.374) 15.176 3.852 ( -13.354 0.000 3.134) 13.717 3.957 ( 5.229 0.000 7.394) 9.057 4.117 ( -1.465 0.000 -1.907) 2.404 4.139 ( 5.597 0.000 -0.340) 5.607 4.210 ( 5.349 0.000 -5.523) 7.688 4.430 ( 6.182 0.000 9.589) 11.409 4.635 ( -7.616 0.000 2.310) 7.958 4.983 ( -4.574 0.000 -1.127) 4.711 5.138 ( -4.863 0.000 -0.269) 4.871 5.169 ( 13.166 0.000 20.654) 24.493 5.329 ( 6.811 0.000 18.605) 19.812 5.528 ( 6.767 0.000 16.264) 17.615 5.886 ( 11.237 0.000 -23.844) 26.360 5.983 ( -7.078 0.000 -4.116) 8.187 6.038 ( -24.795 0.000 8.435) 26.191 6.044 ( 11.742 0.000 -25.582) 28.148 6.114 ( -24.515 0.000 10.693) 26.745 6.340 ( 1.011 0.000 -5.307) 5.402 6.701 ( -5.691 0.000 1.813) 5.973 7.301 ( -3.237 0.000 -22.271) 22.505 7.308 ( -3.385 0.000 -21.999) 22.258 8.413 ( 4.141 0.000 -38.449) 38.671 8.415 ( 6.370 0.000 -42.942) 43.412 8.795 ( -41.147 0.000 21.785) 46.558 8.823 ( -37.715 0.000 19.745) 42.571 9.769 ( -18.063 0.000 -0.139) 18.064 9.796 ( -18.380 0.000 -0.871) 18.401 11.954 ( -0.671 0.000 -2.118) 2.222 12.198 ( 0.036 0.000 2.112) 2.112 12.283 ( -0.299 0.000 -2.962) 2.977 12.447 ( 1.476 0.000 -3.946) 4.213 12.569 ( -4.012 0.000 -4.498) 6.027 12.670 ( -5.865 0.000 4.513) 7.400 12.763 ( 2.194 0.000 -3.912) 4.485 12.942 ( 1.799 0.000 4.617) 4.955 13.002 ( -1.205 0.000 8.379) 8.465 13.275 ( -4.975 0.000 8.730) 10.048 13.291 ( -6.257 0.000 3.016) 6.946 13.566 ( -0.519 0.000 7.377) 7.395 13.653 ( -4.693 0.000 0.280) 4.701 13.766 ( 2.777 0.000 -0.186) 2.783 13.967 ( -0.871 0.000 -3.437) 3.546 13.975 ( 2.273 0.000 -1.491) 2.718 14.028 ( 0.155 0.000 8.208) 8.209 14.070 ( -4.849 0.000 -2.556) 5.482 14.183 ( 4.920 0.000 -4.106) 6.408 14.228 ( 6.271 0.000 4.451) 7.691 14.284 ( -0.411 0.000 0.956) 1.041 14.458 ( 1.239 0.000 8.232) 8.325 14.458 ( 2.519 0.000 3.358) 4.198 14.560 ( 2.541 0.000 7.874) 8.274 14.769 ( 7.586 0.000 7.131) 10.412 14.792 ( 2.355 0.000 4.860) 5.400 14.888 ( 0.629 0.000 1.589) 1.709 14.988 ( 3.759 0.000 -3.147) 4.902 14.993 ( 0.355 0.000 3.082) 3.102 15.241 ( 1.947 0.000 4.007) 4.455 15.245 ( 6.263 0.000 -0.705) 6.303 15.265 ( 3.579 0.000 -2.740) 4.508 15.346 ( 2.217 0.000 1.837) 2.879 15.524 ( 5.003 0.000 -8.755) 10.083 15.619 ( 0.404 0.000 -4.553) 4.571 15.762 ( 1.358 0.000 -4.265) 4.476 15.845 ( 7.108 0.000 -10.081) 12.335 15.877 ( 6.660 0.000 -3.480) 7.515 16.015 ( 10.164 0.000 -9.878) 14.173 16.046 ( 6.253 0.000 -12.889) 14.326 16.703 ( 11.032 0.000 -0.714) 11.055 16.819 ( 7.148 0.000 -0.061) 7.148 16.945 ( 7.623 0.000 -5.058) 9.149 17.302 ( -2.735 0.000 2.874) 3.967 17.304 ( 7.240 0.000 -5.163) 8.893 17.508 ( -5.267 0.000 5.645) 7.720 17.641 ( -7.636 0.000 2.508) 8.037 18.156 ( -13.101 0.000 -4.373) 13.811 ======================= Grid point 138 (49/75) ======================= q-point: ( 0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 27.113 0.000 27.573) 38.671 2.425 ( 10.655 0.000 4.639) 11.622 2.524 ( -0.159 0.000 -4.158) 4.161 2.580 ( -1.082 0.000 -1.107) 1.548 2.976 ( -13.627 0.000 -4.298) 14.289 3.451 ( -25.702 0.000 18.792) 31.839 3.595 ( -1.963 0.000 -1.303) 2.356 3.681 ( 1.595 0.000 -0.403) 1.645 3.857 ( 0.704 0.000 10.916) 10.939 3.912 ( 24.799 0.000 21.774) 33.001 4.050 ( -4.174 0.000 0.583) 4.214 4.223 ( 5.762 0.000 -21.515) 22.273 4.274 ( 20.126 0.000 7.903) 21.622 4.340 ( 4.368 0.000 -2.942) 5.266 4.515 ( -4.005 0.000 2.805) 4.890 4.550 ( 5.806 0.000 10.014) 11.575 4.876 ( -5.936 0.000 7.356) 9.453 4.962 ( -10.579 0.000 -9.466) 14.196 5.170 ( -4.482 0.000 0.762) 4.546 5.423 ( -28.953 0.000 18.305) 34.254 5.559 ( -19.253 0.000 3.814) 19.627 5.757 ( -13.667 0.000 0.508) 13.677 5.861 ( 22.744 0.000 24.687) 33.567 5.929 ( 38.851 0.000 38.033) 54.368 6.152 ( 6.368 0.000 -13.396) 14.832 6.439 ( 20.631 0.000 -27.850) 34.659 6.443 ( 10.467 0.000 -17.531) 20.418 6.663 ( 5.529 0.000 5.149) 7.555 7.145 ( -12.177 0.000 -29.389) 31.812 7.154 ( -11.763 0.000 -29.132) 31.417 7.824 ( -47.856 0.000 28.657) 55.780 7.857 ( -44.350 0.000 26.324) 51.574 8.667 ( 12.782 0.000 -34.161) 36.475 8.693 ( 11.786 0.000 -30.586) 32.778 9.369 ( -20.201 0.000 -9.231) 22.210 9.383 ( -21.177 0.000 -10.531) 23.651 11.966 ( 2.057 0.000 -3.625) 4.168 12.144 ( -4.893 0.000 -0.795) 4.957 12.296 ( 2.122 0.000 -3.945) 4.479 12.482 ( 2.539 0.000 -1.967) 3.212 12.521 ( -7.863 0.000 1.257) 7.963 12.548 ( 0.459 0.000 -3.504) 3.534 12.826 ( 3.942 0.000 -3.397) 5.204 12.981 ( -0.787 0.000 -4.484) 4.552 12.998 ( 0.865 0.000 7.850) 7.898 13.154 ( -6.446 0.000 6.216) 8.954 13.246 ( 3.380 0.000 12.374) 12.827 13.516 ( -4.624 0.000 9.030) 10.145 13.573 ( -1.342 0.000 5.397) 5.561 13.740 ( -6.644 0.000 6.960) 9.622 13.947 ( -0.582 0.000 6.871) 6.896 13.950 ( 3.664 0.000 -4.762) 6.009 14.037 ( -2.519 0.000 3.308) 4.158 14.068 ( 0.729 0.000 -6.038) 6.082 14.271 ( 2.662 0.000 -1.406) 3.010 14.284 ( 1.013 0.000 -3.997) 4.123 14.316 ( 1.059 0.000 4.534) 4.656 14.443 ( -3.585 0.000 6.266) 7.219 14.576 ( 7.926 0.000 4.531) 9.130 14.612 ( 5.906 0.000 8.912) 10.692 14.809 ( -0.593 0.000 7.291) 7.315 14.823 ( -2.950 0.000 4.644) 5.502 14.891 ( 2.136 0.000 4.876) 5.324 15.008 ( -0.720 0.000 3.316) 3.394 15.147 ( 8.921 0.000 -4.066) 9.804 15.295 ( 0.616 0.000 -7.267) 7.293 15.315 ( 5.634 0.000 3.770) 6.779 15.378 ( 5.345 0.000 2.429) 5.871 15.405 ( 2.617 0.000 4.860) 5.520 15.580 ( -3.755 0.000 -1.871) 4.195 15.615 ( 3.529 0.000 -8.341) 9.057 15.744 ( -2.692 0.000 -4.660) 5.382 15.966 ( 5.157 0.000 -7.147) 8.813 16.004 ( 4.397 0.000 -5.440) 6.995 16.155 ( 4.356 0.000 -12.831) 13.550 16.169 ( 4.744 0.000 -11.528) 12.466 16.929 ( 10.544 0.000 -0.058) 10.544 17.008 ( 10.657 0.000 0.051) 10.657 17.097 ( 6.324 0.000 -1.008) 6.404 17.249 ( -1.889 0.000 -1.858) 2.650 17.384 ( -7.049 0.000 2.520) 7.485 17.471 ( 9.027 0.000 -3.386) 9.641 17.474 ( -8.597 0.000 0.191) 8.599 17.894 ( -12.325 0.000 -2.178) 12.516 ======================= Grid point 139 (50/75) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -1.168 0.000 -2.862) 3.091 2.530 ( 1.168 0.000 -2.862) 3.091 2.707 ( -12.608 0.000 -1.858) 12.744 2.707 ( 12.608 0.000 -1.858) 12.744 2.851 ( -31.837 0.000 23.000) 39.276 2.851 ( 31.837 0.000 23.000) 39.276 3.619 ( -4.228 0.000 -0.980) 4.340 3.619 ( 4.228 0.000 -0.980) 4.340 3.943 ( -5.971 0.000 3.815) 7.086 3.943 ( 5.971 0.000 3.815) 7.086 4.285 ( -6.704 0.000 0.630) 6.733 4.285 ( 6.704 0.000 0.630) 6.733 4.415 ( -6.490 0.000 -8.302) 10.538 4.415 ( 6.490 0.000 -8.302) 10.538 4.609 ( -5.967 0.000 9.314) 11.061 4.609 ( 5.967 0.000 9.314) 11.061 4.882 ( -14.420 0.000 12.265) 18.930 4.882 ( 14.420 0.000 12.265) 18.930 4.938 ( -14.312 0.000 9.727) 17.305 4.938 ( 14.312 0.000 9.727) 17.305 5.508 ( -9.156 0.000 -4.105) 10.034 5.508 ( 9.156 0.000 -4.105) 10.034 6.167 ( -5.031 0.000 2.331) 5.544 6.167 ( 5.031 0.000 2.331) 5.544 6.742 ( -22.248 0.000 0.394) 22.252 6.742 ( 22.248 0.000 0.394) 22.252 6.800 ( -20.811 0.000 -25.077) 32.587 6.800 ( 20.811 0.000 -25.077) 32.587 6.934 ( -20.492 0.000 3.822) 20.846 6.934 ( 20.492 0.000 3.822) 20.846 7.038 ( -31.088 0.000 22.145) 38.169 7.038 ( 31.088 0.000 22.145) 38.169 8.980 ( -18.010 0.000 -22.488) 28.810 8.980 ( 18.010 0.000 -22.488) 28.810 8.988 ( -16.982 0.000 -20.545) 26.655 8.988 ( 16.982 0.000 -20.545) 26.655 12.038 ( -4.859 0.000 -3.125) 5.777 12.038 ( 4.859 0.000 -3.125) 5.777 12.378 ( -5.883 0.000 -1.915) 6.187 12.378 ( 5.883 0.000 -1.915) 6.187 12.536 ( -2.028 0.000 -1.406) 2.467 12.536 ( 2.028 0.000 -1.406) 2.467 12.914 ( -4.501 0.000 -4.429) 6.315 12.914 ( 4.501 0.000 -4.429) 6.315 13.044 ( -3.915 0.000 5.117) 6.443 13.044 ( 3.915 0.000 5.117) 6.443 13.383 ( -7.993 0.000 11.104) 13.681 13.383 ( 7.993 0.000 11.104) 13.681 13.611 ( -4.773 0.000 7.597) 8.972 13.611 ( 4.773 0.000 7.597) 8.972 13.972 ( -2.828 0.000 6.234) 6.845 13.972 ( 2.828 0.000 6.234) 6.845 14.040 ( -3.722 0.000 -3.744) 5.279 14.040 ( 3.722 0.000 -3.744) 5.279 14.298 ( -0.537 0.000 -2.808) 2.859 14.298 ( 0.537 0.000 -2.808) 2.859 14.350 ( -3.714 0.000 3.726) 5.261 14.350 ( 3.714 0.000 3.726) 5.261 14.723 ( -6.222 0.000 3.362) 7.072 14.723 ( 6.222 0.000 3.362) 7.072 14.749 ( -5.513 0.000 9.248) 10.766 14.749 ( 5.513 0.000 9.248) 10.766 14.957 ( -3.607 0.000 5.121) 6.263 14.957 ( 3.607 0.000 5.121) 6.263 15.274 ( -3.172 0.000 -6.591) 7.314 15.274 ( 3.172 0.000 -6.591) 7.314 15.412 ( -2.587 0.000 5.266) 5.867 15.412 ( 2.587 0.000 5.266) 5.867 15.484 ( -5.341 0.000 1.229) 5.481 15.484 ( 5.341 0.000 1.229) 5.481 15.678 ( -3.222 0.000 -6.897) 7.612 15.678 ( 3.222 0.000 -6.897) 7.612 16.035 ( -1.230 0.000 -6.051) 6.175 16.035 ( 1.230 0.000 -6.051) 6.175 16.209 ( -0.624 0.000 -12.179) 12.195 16.209 ( 0.624 0.000 -12.179) 12.195 17.101 ( -5.745 0.000 1.581) 5.958 17.101 ( 5.745 0.000 1.581) 5.958 17.217 ( -9.525 0.000 0.424) 9.534 17.217 ( 9.525 0.000 0.424) 9.534 17.308 ( -7.244 0.000 -3.493) 8.042 17.308 ( 7.244 0.000 -3.493) 8.042 17.665 ( -10.331 0.000 -1.935) 10.511 17.665 ( 10.331 0.000 -1.935) 10.511 ======================= Grid point 144 (51/75) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.844 ( 0.000 16.706 31.327) 35.503 2.085 ( 0.000 5.310 27.220) 27.733 2.478 ( 0.000 -10.896 21.952) 24.508 2.647 ( 0.000 -13.251 3.932) 13.823 2.956 ( 0.000 9.413 19.832) 21.952 3.258 ( 0.000 -3.556 16.435) 16.816 3.405 ( 0.000 7.835 22.653) 23.970 3.612 ( 0.000 0.921 1.264) 1.564 3.827 ( 0.000 -6.615 -8.499) 10.769 3.866 ( 0.000 2.373 -2.014) 3.113 3.943 ( 0.000 5.823 20.059) 20.887 4.014 ( 0.000 -2.830 -2.289) 3.640 4.054 ( 0.000 -10.066 8.103) 12.922 4.211 ( 0.000 -1.868 6.027) 6.310 4.410 ( 0.000 12.360 -7.136) 14.272 4.733 ( 0.000 -0.339 28.787) 28.789 4.850 ( 0.000 2.132 4.577) 5.049 5.099 ( 0.000 -9.118 -9.257) 12.993 5.244 ( 0.000 2.158 5.613) 6.013 5.352 ( 0.000 -1.693 -2.677) 3.167 5.511 ( 0.000 1.172 -34.398) 34.418 5.578 ( 0.000 -1.247 -27.208) 27.237 5.651 ( 0.000 5.739 2.413) 6.225 6.028 ( 0.000 -10.698 0.881) 10.735 6.551 ( 0.000 9.757 1.184) 9.829 6.802 ( 0.000 -1.505 3.249) 3.581 6.881 ( 0.000 0.134 -3.917) 3.920 6.888 ( 0.000 -0.135 -4.017) 4.019 7.178 ( 0.000 -0.050 -3.265) 3.266 7.186 ( 0.000 -0.128 -2.728) 2.731 8.247 ( 0.000 0.056 -53.953) 53.953 8.251 ( 0.000 -0.074 -51.766) 51.766 9.919 ( 0.000 0.349 14.857) 14.861 9.939 ( 0.000 -0.343 14.858) 14.862 10.071 ( 0.000 0.101 11.201) 11.201 10.077 ( 0.000 -0.098 11.603) 11.604 12.040 ( 0.000 2.954 4.037) 5.003 12.195 ( 0.000 5.605 1.763) 5.876 12.230 ( 0.000 -3.848 4.438) 5.874 12.418 ( 0.000 1.325 -2.369) 2.714 12.625 ( 0.000 -6.453 3.119) 7.167 12.663 ( 0.000 -3.699 -0.622) 3.751 12.947 ( 0.000 6.141 -8.253) 10.287 13.034 ( 0.000 1.862 5.911) 6.198 13.127 ( 0.000 -1.537 4.810) 5.049 13.257 ( 0.000 -6.031 -7.921) 9.956 13.448 ( 0.000 4.983 4.144) 6.481 13.480 ( 0.000 2.291 7.824) 8.152 13.592 ( 0.000 -1.691 7.657) 7.842 13.695 ( 0.000 -4.139 6.029) 7.313 13.929 ( 0.000 0.573 -9.705) 9.722 13.967 ( 0.000 -0.826 -10.383) 10.416 14.020 ( 0.000 3.732 -5.197) 6.398 14.171 ( 0.000 1.701 0.415) 1.751 14.222 ( 0.000 -4.452 0.318) 4.463 14.266 ( 0.000 -1.686 1.005) 1.963 14.337 ( 0.000 0.925 4.680) 4.771 14.342 ( 0.000 4.470 -0.597) 4.509 14.382 ( 0.000 -0.699 4.716) 4.768 14.384 ( 0.000 1.852 13.401) 13.528 14.445 ( 0.000 0.030 7.073) 7.073 14.693 ( 0.000 -7.206 4.476) 8.483 14.957 ( 0.000 0.497 0.529) 0.725 14.973 ( 0.000 5.305 5.411) 7.577 14.980 ( 0.000 -0.276 -0.562) 0.626 15.172 ( 0.000 0.365 -4.156) 4.172 15.189 ( 0.000 4.418 -0.708) 4.474 15.203 ( 0.000 -0.773 -2.229) 2.359 15.271 ( 0.000 -4.700 6.153) 7.743 15.434 ( 0.000 -3.500 -6.858) 7.699 15.483 ( 0.000 0.141 -3.564) 3.567 15.487 ( 0.000 0.022 -4.061) 4.061 15.647 ( 0.000 3.942 -7.181) 8.191 15.757 ( 0.000 0.214 -8.757) 8.760 15.770 ( 0.000 -0.199 -9.719) 9.721 15.812 ( 0.000 -2.743 -8.873) 9.288 16.485 ( 0.000 2.667 -1.962) 3.311 16.642 ( 0.000 -3.587 -2.958) 4.649 16.868 ( 0.000 6.115 -4.796) 7.771 17.114 ( 0.000 -3.500 -6.450) 7.338 17.399 ( 0.000 2.216 7.191) 7.525 17.563 ( 0.000 -4.232 9.776) 10.652 17.935 ( 0.000 8.883 1.685) 9.041 18.399 ( 0.000 -8.134 -7.480) 11.050 ======================= Grid point 145 (52/75) ======================= q-point: ( 0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.845 ( 1.440 15.493 30.036) 33.827 2.143 ( 5.052 5.351 22.459) 23.634 2.509 ( 0.839 -10.220 12.274) 15.994 2.627 ( -1.773 -10.335 3.619) 11.093 3.063 ( 11.976 7.982 24.948) 28.802 3.341 ( 7.519 -2.258 18.012) 19.649 3.496 ( 7.087 4.805 16.435) 18.532 3.545 ( -6.986 0.557 -6.302) 9.425 3.722 ( -4.864 -4.798 -5.717) 8.909 3.835 ( -3.398 -3.996 1.574) 5.476 4.015 ( 7.016 5.205 17.659) 19.702 4.025 ( 0.518 -3.870 -0.959) 4.021 4.145 ( 4.428 -4.965 4.243) 7.890 4.223 ( 1.115 2.021 7.316) 7.671 4.391 ( 0.081 10.702 -5.554) 12.058 4.786 ( 2.192 0.312 11.443) 11.655 4.871 ( 5.479 1.837 26.064) 26.697 4.997 ( -6.786 -7.325 -9.338) 13.671 5.226 ( -2.496 1.934 9.709) 10.209 5.360 ( -3.389 -3.087 6.862) 8.252 5.535 ( 1.002 2.468 -17.280) 17.485 5.633 ( 7.244 -1.111 -27.047) 28.023 5.723 ( 9.238 2.277 -21.740) 23.731 5.999 ( -2.781 -9.719 -1.356) 10.200 6.513 ( -4.528 7.994 1.539) 9.316 6.560 ( -21.647 0.574 6.185) 22.520 6.614 ( -20.161 1.001 2.728) 20.370 6.797 ( -4.784 -1.941 0.470) 5.185 7.282 ( 4.911 0.147 -12.214) 13.165 7.291 ( 4.801 -0.106 -11.804) 12.743 8.292 ( 4.436 0.067 -51.648) 51.838 8.297 ( 4.459 -0.100 -49.435) 49.636 9.549 ( -29.960 0.062 18.887) 35.416 9.552 ( -30.722 -0.051 19.101) 36.176 10.046 ( -7.517 0.316 6.647) 10.039 10.064 ( -7.180 -0.325 6.607) 9.762 12.021 ( -1.512 3.342 1.334) 3.903 12.222 ( 1.926 4.494 2.527) 5.504 12.233 ( 0.157 -3.638 1.864) 4.090 12.434 ( 1.325 1.003 -2.850) 3.299 12.619 ( -1.118 -5.085 2.012) 5.582 12.679 ( 1.467 -3.640 -2.224) 4.511 12.794 ( -7.814 3.831 -0.533) 8.719 12.975 ( -8.261 -2.766 3.561) 9.411 13.091 ( -0.191 4.425 2.908) 5.298 13.326 ( -0.427 -4.325 -3.227) 5.413 13.392 ( -2.501 2.271 6.995) 7.768 13.535 ( -2.467 -2.398 8.616) 9.278 13.613 ( 8.828 3.060 2.659) 9.714 13.770 ( 7.015 -2.928 3.625) 8.421 13.902 ( -6.458 2.802 -4.236) 8.216 13.959 ( 0.508 1.343 -5.559) 5.741 14.035 ( 4.302 -1.269 -8.834) 9.908 14.096 ( -7.093 -3.610 1.274) 8.060 14.172 ( 0.567 2.155 1.353) 2.607 14.261 ( -1.160 -0.741 0.962) 1.679 14.304 ( -3.620 2.666 6.436) 7.851 14.399 ( 4.017 0.890 3.186) 5.204 14.435 ( 0.428 0.541 5.797) 5.838 14.476 ( 8.154 2.087 7.152) 11.045 14.550 ( 10.634 -1.430 5.064) 11.865 14.700 ( 1.485 -6.368 4.075) 7.705 14.864 ( -5.309 2.448 3.431) 6.779 14.975 ( 0.460 -0.531 0.834) 1.091 15.080 ( 4.727 2.085 1.097) 5.281 15.154 ( -1.494 3.831 0.414) 4.133 15.192 ( 0.838 -1.483 5.460) 5.720 15.209 ( 2.131 0.307 -4.333) 4.838 15.281 ( 3.372 -2.095 -2.306) 4.591 15.417 ( 0.774 -3.408 -5.692) 6.679 15.583 ( 5.172 1.446 -5.826) 7.924 15.628 ( 7.222 -1.157 -5.791) 9.329 15.728 ( 8.577 2.606 -6.461) 11.050 15.795 ( 4.625 0.319 -7.757) 9.036 15.817 ( 5.576 0.188 -8.389) 10.075 15.894 ( 6.207 -1.846 -10.645) 12.460 16.542 ( 5.755 2.004 -1.497) 6.275 16.672 ( 3.206 -3.217 -2.230) 5.059 16.906 ( 3.823 5.902 -4.831) 8.531 17.149 ( 3.632 -3.527 -6.016) 7.863 17.376 ( -2.188 2.079 6.225) 6.918 17.532 ( -2.933 -4.087 8.733) 10.079 17.880 ( -5.203 8.309 1.557) 9.927 18.306 ( -8.561 -7.361 -6.008) 12.789 ======================= Grid point 146 (53/75) ======================= q-point: ( 0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.960 ( 10.991 11.776 26.052) 30.629 2.268 ( 7.252 3.623 12.592) 14.975 2.492 ( -1.230 -6.396 2.878) 7.120 2.585 ( -1.918 -4.747 2.600) 5.742 3.277 ( -10.147 3.028 -1.223) 10.659 3.452 ( 20.323 4.690 25.413) 32.877 3.530 ( -2.113 -6.383 -4.463) 8.070 3.570 ( 6.940 -1.439 11.165) 13.225 3.729 ( -0.952 -3.607 6.438) 7.441 3.820 ( 6.884 -7.180 -0.879) 9.986 3.945 ( -6.254 2.774 8.650) 11.029 4.158 ( 2.403 6.338 1.977) 7.060 4.202 ( 4.365 -3.161 6.178) 8.198 4.292 ( 5.598 3.458 6.457) 9.219 4.435 ( 2.147 6.335 -7.355) 9.941 4.744 ( -4.148 7.637 4.991) 10.022 4.884 ( -3.395 -7.774 -3.745) 9.273 5.103 ( 2.650 -4.898 12.127) 13.345 5.192 ( 4.467 3.261 12.855) 13.994 5.325 ( 9.406 -0.657 22.301) 24.212 5.535 ( 3.629 0.986 10.815) 11.450 5.771 ( -2.381 -8.500 -11.218) 14.275 5.971 ( 5.434 0.410 -17.459) 18.290 6.024 ( 10.072 -1.150 -23.457) 25.554 6.053 ( -18.340 0.839 2.668) 18.552 6.103 ( -25.071 -0.947 10.463) 27.184 6.461 ( -2.535 7.731 -1.810) 8.335 6.686 ( -5.393 -1.678 1.251) 5.785 7.303 ( -3.245 0.136 -22.187) 22.423 7.308 ( -3.355 -0.030 -22.001) 22.255 8.413 ( 4.466 0.010 -39.161) 39.415 8.414 ( 6.031 -0.055 -42.247) 42.675 8.799 ( -40.649 0.342 21.440) 45.958 8.819 ( -38.214 -0.348 19.986) 43.126 9.773 ( -18.109 0.335 -0.255) 18.113 9.792 ( -18.333 -0.344 -0.772) 18.353 11.995 ( -0.685 3.532 -2.185) 4.209 12.221 ( -0.616 -4.213 -2.510) 4.942 12.252 ( -0.257 3.868 2.006) 4.365 12.458 ( 0.684 -0.360 -2.549) 2.664 12.557 ( -3.899 -0.572 -1.524) 4.225 12.690 ( -3.864 1.589 -0.558) 4.215 12.714 ( 2.118 -2.788 -2.178) 4.123 12.892 ( 0.617 -3.661 2.906) 4.715 13.056 ( -1.655 3.653 7.622) 8.613 13.235 ( -5.866 -3.509 3.504) 7.682 13.329 ( -3.703 3.497 9.199) 10.515 13.515 ( -1.262 -3.448 7.868) 8.683 13.721 ( -3.496 4.405 0.179) 5.626 13.792 ( 2.463 2.114 1.159) 3.447 13.913 ( -1.199 -3.085 -0.573) 3.360 13.958 ( 2.144 -3.300 4.220) 5.770 14.029 ( 0.163 1.394 -2.281) 2.678 14.079 ( -0.283 -0.149 -4.965) 4.976 14.189 ( 0.626 0.929 -1.418) 1.807 14.245 ( 1.504 -0.224 2.550) 2.968 14.292 ( 3.269 1.921 3.329) 5.046 14.425 ( 2.445 -2.455 4.146) 5.403 14.490 ( 1.640 2.758 6.303) 7.073 14.606 ( 3.504 3.366 7.933) 9.303 14.739 ( -1.124 -7.221 1.396) 7.440 14.747 ( 7.050 -1.890 6.768) 9.954 14.827 ( 4.689 1.832 4.273) 6.603 14.961 ( -0.644 -2.164 3.339) 4.030 15.114 ( 2.145 5.523 -1.805) 6.194 15.223 ( 2.913 -1.023 0.090) 3.089 15.252 ( 5.108 0.114 3.347) 6.107 15.259 ( 3.779 -0.349 0.809) 3.880 15.357 ( 4.112 1.302 -2.364) 4.919 15.490 ( 5.566 -2.601 -7.076) 9.371 15.632 ( -0.164 0.874 -4.905) 4.985 15.716 ( 1.838 -2.739 -5.085) 6.062 15.896 ( 5.980 3.320 -9.675) 11.848 15.911 ( 7.201 2.458 -5.450) 9.360 16.005 ( 10.088 -0.932 -9.422) 13.835 16.027 ( 6.579 -1.605 -12.092) 13.859 16.712 ( 10.537 0.828 -0.734) 10.595 16.784 ( 7.984 -2.176 -0.865) 8.321 17.020 ( 7.030 5.380 -3.980) 9.706 17.260 ( 7.088 -3.651 -4.719) 9.265 17.320 ( -3.082 1.634 3.425) 4.888 17.451 ( -4.890 -3.611 5.948) 8.505 17.739 ( -8.287 7.092 0.880) 10.943 18.087 ( -12.188 -5.809 -3.442) 13.934 ======================= Grid point 147 (54/75) ======================= q-point: ( 0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.294 ( 20.597 4.343 18.831) 28.244 2.439 ( 9.374 0.853 3.812) 10.155 2.498 ( 1.988 -1.729 0.572) 2.696 2.563 ( -0.220 -1.462 0.965) 1.766 3.040 ( -10.589 5.750 -3.833) 12.644 3.426 ( -10.185 -4.752 5.539) 12.529 3.502 ( -10.118 -3.617 2.741) 11.089 3.684 ( -8.637 -4.529 2.715) 10.123 3.805 ( 8.448 2.900 9.262) 12.867 3.947 ( 22.060 2.230 21.003) 30.541 4.104 ( -0.685 2.633 3.544) 4.468 4.184 ( 14.770 -1.300 5.399) 15.780 4.284 ( 2.078 -5.140 3.797) 6.720 4.380 ( 2.822 1.913 -4.140) 5.363 4.491 ( 6.013 5.451 -4.705) 9.381 4.678 ( -3.245 7.085 2.999) 8.350 4.824 ( -3.710 -4.121 4.342) 7.043 4.981 ( -6.260 -0.713 -4.020) 7.474 5.165 ( -7.003 1.828 -2.621) 7.697 5.444 ( -26.838 0.983 16.300) 31.416 5.511 ( -18.621 -4.097 1.578) 19.132 5.642 ( -12.950 -7.391 4.749) 15.649 5.871 ( 23.843 0.481 25.364) 34.814 5.896 ( 33.984 -1.241 33.330) 47.616 6.242 ( 10.209 5.021 -14.958) 18.793 6.388 ( 16.151 -2.362 -24.583) 29.509 6.513 ( 11.600 3.941 -13.332) 18.106 6.653 ( 5.670 -1.127 2.839) 6.440 7.147 ( -12.125 0.168 -29.222) 31.638 7.153 ( -11.833 -0.052 -29.059) 31.376 7.829 ( -47.319 0.431 28.304) 55.139 7.853 ( -44.826 -0.370 26.649) 52.151 8.670 ( 12.636 0.272 -33.696) 35.988 8.689 ( 11.926 -0.379 -31.162) 33.368 9.371 ( -20.338 0.169 -9.439) 22.422 9.381 ( -21.029 -0.171 -10.357) 23.442 12.006 ( 2.023 3.467 -3.667) 5.437 12.185 ( -4.772 3.055 -0.899) 5.737 12.238 ( 1.611 -4.131 -3.526) 5.665 12.423 ( -4.901 -5.133 -0.071) 7.097 12.530 ( 1.902 3.280 -2.222) 4.395 12.628 ( -1.943 3.740 -3.069) 5.214 12.778 ( 3.982 -3.010 -2.284) 5.490 12.917 ( -0.438 -4.536 -3.583) 5.797 13.047 ( 0.594 2.788 7.581) 8.099 13.150 ( -3.100 -1.016 7.769) 8.427 13.276 ( 0.592 3.204 10.868) 11.345 13.465 ( -3.556 -3.421 9.178) 10.420 13.646 ( -2.104 4.868 4.581) 7.008 13.768 ( -5.383 2.169 6.101) 8.420 13.886 ( -0.370 -3.586 5.674) 6.722 13.950 ( -1.269 -2.164 -0.963) 2.687 14.041 ( 0.945 1.761 1.276) 2.371 14.092 ( 1.035 1.137 -5.038) 5.268 14.227 ( 1.922 -2.212 -1.168) 3.154 14.245 ( 0.137 -2.286 -2.716) 3.553 14.384 ( 2.155 3.907 2.355) 5.045 14.482 ( -1.332 2.453 6.642) 7.204 14.547 ( 5.931 -1.851 4.659) 7.766 14.625 ( 1.914 -0.145 4.983) 5.340 14.742 ( 1.338 -3.433 6.262) 7.266 14.805 ( -0.139 -2.250 6.300) 6.691 14.897 ( 1.529 1.003 5.142) 5.457 14.976 ( 0.107 -2.005 4.049) 4.519 15.205 ( 5.858 3.251 -2.129) 7.030 15.277 ( 2.687 -0.698 -2.127) 3.497 15.343 ( 5.158 1.181 3.241) 6.205 15.372 ( 5.330 -0.437 3.027) 6.145 15.430 ( 2.476 2.380 -0.764) 3.518 15.578 ( -0.862 -1.648 -4.201) 4.594 15.602 ( 0.986 0.571 -5.639) 5.753 15.711 ( -2.026 -2.532 -4.672) 5.687 15.998 ( 4.266 2.348 -8.445) 9.749 16.027 ( 3.646 1.552 -6.946) 7.997 16.147 ( 4.883 -0.570 -11.768) 12.753 16.161 ( 4.989 -0.714 -10.703) 11.830 16.935 ( 10.611 0.461 -0.097) 10.622 16.980 ( 10.563 -1.590 -0.280) 10.685 17.161 ( 5.066 4.619 0.620) 6.884 17.265 ( -0.997 1.398 -2.380) 2.935 17.338 ( -6.399 -2.750 2.400) 7.367 17.420 ( 7.938 -3.764 -2.181) 9.051 17.564 ( -8.305 5.840 -1.275) 10.232 17.841 ( -11.742 -4.533 -1.934) 12.734 ======================= Grid point 148 (55/75) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -1.454 -0.111 -1.915) 2.408 2.527 ( 1.454 -0.111 -1.915) 2.408 2.609 ( -1.513 -4.347 4.311) 6.306 2.609 ( 1.513 -4.347 4.311) 6.306 3.026 ( -16.633 10.812 12.145) 23.261 3.026 ( 16.633 10.812 12.145) 23.261 3.518 ( -6.428 -8.487 -0.236) 10.649 3.518 ( 6.428 -8.487 -0.236) 10.649 3.972 ( -7.736 4.187 2.883) 9.257 3.972 ( 7.736 4.187 2.883) 9.257 4.272 ( -4.868 -3.381 6.608) 8.876 4.272 ( 4.868 -3.381 6.608) 8.876 4.486 ( -4.660 4.841 -6.052) 9.043 4.486 ( 4.660 4.841 -6.052) 9.043 4.553 ( -4.938 -3.089 10.051) 11.617 4.553 ( 4.938 -3.089 10.051) 11.617 4.871 ( -14.920 0.472 8.175) 17.020 4.871 ( 14.920 0.472 8.175) 17.020 5.009 ( -12.080 4.292 7.885) 15.050 5.009 ( 12.080 4.292 7.885) 15.050 5.421 ( -7.214 -6.604 -4.119) 10.612 5.421 ( 7.214 -6.604 -4.119) 10.612 6.191 ( -3.866 1.522 2.985) 5.116 6.191 ( 3.866 1.522 2.985) 5.116 6.731 ( -10.934 -0.614 -3.416) 11.472 6.731 ( 10.934 -0.614 -3.416) 11.472 6.814 ( -8.282 0.685 -26.287) 27.569 6.814 ( 8.282 0.685 -26.287) 27.569 6.948 ( -23.960 1.333 11.407) 26.570 6.948 ( 23.960 1.333 11.407) 26.570 7.027 ( -29.725 -0.981 19.206) 35.403 7.027 ( 29.725 -0.981 19.206) 35.403 8.971 ( -4.238 -0.422 -21.765) 22.178 8.971 ( 4.238 -0.422 -21.765) 22.178 8.996 ( -3.510 0.370 -21.321) 21.612 8.996 ( 3.510 0.370 -21.321) 21.611 12.078 ( -4.893 3.450 -3.027) 6.709 12.078 ( 4.893 3.450 -3.027) 6.709 12.310 ( -5.176 -5.002 -2.131) 7.507 12.310 ( 5.176 -5.002 -2.131) 7.507 12.586 ( -2.700 3.533 -1.991) 4.872 12.586 ( 2.700 3.533 -1.991) 4.872 12.863 ( -4.061 -3.730 -3.238) 6.394 12.863 ( 4.061 -3.730 -3.238) 6.394 13.082 ( -2.898 2.512 5.684) 6.857 13.082 ( 2.898 2.512 5.684) 6.857 13.365 ( -6.071 -1.306 10.519) 12.215 13.365 ( 6.071 -1.306 10.519) 12.215 13.661 ( -3.724 4.118 6.825) 8.798 13.661 ( 3.724 4.118 6.825) 8.798 13.904 ( -2.326 -4.581 5.008) 7.175 13.904 ( 2.326 -4.581 5.008) 7.175 14.085 ( -2.112 2.548 -1.844) 3.789 14.085 ( 2.112 2.548 -1.844) 3.789 14.249 ( -0.271 -2.492 -1.753) 3.059 14.249 ( 0.271 -2.492 -1.753) 3.059 14.417 ( -2.718 4.116 2.205) 5.403 14.417 ( 2.718 4.116 2.205) 5.403 14.642 ( -2.631 -5.118 3.904) 6.954 14.642 ( 2.631 -5.118 3.904) 6.954 14.782 ( -2.612 1.078 7.761) 8.260 14.782 ( 2.612 1.078 7.761) 8.260 14.938 ( -2.855 -1.105 5.417) 6.222 14.938 ( 2.855 -1.105 5.417) 6.222 15.290 ( -1.731 1.012 -2.887) 3.515 15.290 ( 1.731 1.012 -2.887) 3.515 15.428 ( -1.830 0.756 3.163) 3.731 15.428 ( 1.830 0.756 3.163) 3.731 15.491 ( -5.244 1.053 0.403) 5.364 15.491 ( 5.244 1.053 0.403) 5.364 15.656 ( -2.854 -1.705 -6.790) 7.560 15.656 ( 2.854 -1.705 -6.790) 7.560 16.054 ( -0.907 1.319 -7.446) 7.616 16.054 ( 0.907 1.319 -7.446) 7.616 16.205 ( -0.520 -0.291 -11.187) 11.203 16.205 ( 0.520 -0.291 -11.187) 11.203 17.113 ( -6.146 0.938 1.565) 6.411 17.113 ( 6.146 0.938 1.565) 6.411 17.185 ( -8.316 -1.898 -0.209) 8.532 17.185 ( 8.316 -1.898 -0.209) 8.532 17.370 ( -8.115 4.419 -2.197) 9.498 17.370 ( 8.115 4.419 -2.197) 9.498 17.622 ( -9.781 -3.599 -2.316) 10.676 17.622 ( 9.781 -3.599 -2.316) 10.676 ======================= Grid point 153 (56/75) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.250 ( 0.000 -9.112 24.970) 26.580 2.250 ( 0.000 9.112 24.970) 26.580 2.269 ( 0.000 -19.288 17.254) 25.879 2.269 ( 0.000 19.288 17.254) 25.879 3.140 ( 0.000 -6.846 17.673) 18.953 3.140 ( 0.000 6.846 17.673) 18.953 3.602 ( 0.000 -7.659 4.075) 8.675 3.602 ( 0.000 7.659 4.075) 8.675 3.791 ( 0.000 -9.908 8.062) 12.774 3.791 ( 0.000 9.908 8.062) 12.774 3.937 ( 0.000 -3.671 -2.043) 4.201 3.937 ( 0.000 3.671 -2.043) 4.201 4.107 ( 0.000 -6.696 10.745) 12.660 4.107 ( 0.000 6.696 10.745) 12.660 4.670 ( 0.000 -8.033 10.312) 13.072 4.670 ( 0.000 8.033 10.312) 13.072 4.912 ( 0.000 -5.129 -0.236) 5.134 4.912 ( 0.000 5.129 -0.236) 5.134 5.301 ( 0.000 -2.650 1.471) 3.031 5.301 ( 0.000 2.650 1.471) 3.031 5.544 ( 0.000 -1.663 -30.919) 30.963 5.544 ( 0.000 1.663 -30.919) 30.963 5.811 ( 0.000 -8.495 -0.556) 8.513 5.811 ( 0.000 8.495 -0.556) 8.513 6.726 ( 0.000 -5.583 2.090) 5.962 6.726 ( 0.000 5.583 2.090) 5.962 6.884 ( 0.000 -0.190 -3.966) 3.971 6.884 ( 0.000 0.190 -3.966) 3.971 7.181 ( 0.000 -0.256 -2.974) 2.985 7.181 ( 0.000 0.256 -2.974) 2.985 8.249 ( 0.000 -0.130 -52.942) 52.942 8.249 ( 0.000 0.130 -52.942) 52.942 9.929 ( 0.000 -0.489 14.857) 14.865 9.929 ( 0.000 0.489 14.857) 14.865 10.074 ( 0.000 -0.141 11.389) 11.390 10.074 ( 0.000 0.141 11.389) 11.390 12.129 ( 0.000 -4.675 4.224) 6.301 12.129 ( 0.000 4.675 4.224) 6.301 12.353 ( 0.000 -7.306 1.631) 7.486 12.353 ( 0.000 7.306 1.631) 7.486 12.578 ( 0.000 -2.891 -0.531) 2.939 12.578 ( 0.000 2.891 -0.531) 2.939 13.083 ( 0.000 -2.258 5.341) 5.799 13.083 ( 0.000 2.258 5.341) 5.799 13.101 ( 0.000 -7.374 -8.729) 11.427 13.101 ( 0.000 7.374 -8.729) 11.427 13.540 ( 0.000 -2.749 7.788) 8.259 13.540 ( 0.000 2.749 7.788) 8.259 13.576 ( 0.000 -5.987 5.619) 8.211 13.576 ( 0.000 5.987 5.619) 8.211 13.946 ( 0.000 -0.941 -9.971) 10.015 13.946 ( 0.000 0.941 -9.971) 10.015 14.117 ( 0.000 -4.713 -3.748) 6.022 14.117 ( 0.000 4.713 -3.748) 6.022 14.219 ( 0.000 -2.350 0.641) 2.436 14.219 ( 0.000 2.350 0.641) 2.436 14.361 ( 0.000 -1.106 4.713) 4.841 14.361 ( 0.000 1.106 4.713) 4.841 14.403 ( 0.000 -0.618 8.059) 8.082 14.403 ( 0.000 0.618 8.059) 8.082 14.524 ( 0.000 -7.110 5.080) 8.738 14.524 ( 0.000 7.110 5.080) 8.738 14.970 ( 0.000 -0.590 0.034) 0.591 14.970 ( 0.000 0.590 0.034) 0.591 15.112 ( 0.000 -6.723 6.610) 9.428 15.112 ( 0.000 6.723 6.610) 9.428 15.185 ( 0.000 -0.753 -3.248) 3.334 15.185 ( 0.000 0.753 -3.248) 3.334 15.331 ( 0.000 -5.429 -4.964) 7.356 15.331 ( 0.000 5.429 -4.964) 7.356 15.486 ( 0.000 -0.105 -3.887) 3.889 15.486 ( 0.000 0.105 -3.887) 3.889 15.735 ( 0.000 -3.836 -7.503) 8.427 15.735 ( 0.000 3.836 -7.503) 8.427 15.764 ( 0.000 -0.322 -9.190) 9.196 15.764 ( 0.000 0.322 -9.190) 9.196 16.559 ( 0.000 -3.705 -2.843) 4.670 16.559 ( 0.000 3.705 -2.843) 4.670 17.007 ( 0.000 -5.804 -5.223) 7.808 17.007 ( 0.000 5.804 -5.223) 7.808 17.469 ( 0.000 -3.860 8.911) 9.711 17.469 ( 0.000 3.860 8.911) 9.711 18.170 ( 0.000 -11.280 -2.752) 11.611 18.170 ( 0.000 11.280 -2.752) 11.611 ======================= Grid point 155 (57/75) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.206 ( -0.917 -11.913 16.944) 20.733 2.206 ( -0.917 11.913 16.944) 20.733 2.362 ( 5.058 -8.403 18.154) 20.634 2.362 ( 5.058 8.403 18.154) 20.634 3.233 ( 9.650 -6.683 19.564) 22.815 3.233 ( 9.650 6.683 19.564) 22.815 3.586 ( -5.709 -4.569 -9.841) 12.261 3.586 ( -5.709 4.569 -9.841) 12.261 3.705 ( -1.752 -8.101 11.840) 14.453 3.705 ( -1.752 8.101 11.840) 14.453 4.003 ( 3.533 -2.834 5.710) 7.288 4.003 ( 3.533 2.834 5.710) 7.288 4.172 ( 5.841 -5.037 8.411) 11.412 4.172 ( 5.841 5.037 8.411) 11.412 4.672 ( -0.128 -11.475 2.517) 11.748 4.672 ( -0.128 11.475 2.517) 11.748 4.897 ( 0.714 -0.726 9.875) 9.927 4.897 ( 0.714 0.726 9.875) 9.927 5.285 ( -3.544 -3.248 9.230) 10.407 5.285 ( -3.544 3.248 9.230) 10.407 5.592 ( 4.846 -2.387 -28.248) 28.760 5.592 ( 4.846 2.387 -28.248) 28.760 5.816 ( 1.885 -6.249 -8.310) 10.567 5.816 ( 1.885 6.249 -8.310) 10.567 6.573 ( -20.045 -0.330 5.711) 20.845 6.573 ( -20.045 0.330 5.711) 20.845 6.715 ( -5.767 -5.415 -0.166) 7.913 6.715 ( -5.767 5.415 -0.166) 7.913 7.287 ( 4.900 -0.219 -12.002) 12.966 7.287 ( 4.900 0.219 -12.002) 12.966 8.294 ( 4.440 -0.140 -50.611) 50.806 8.294 ( 4.440 0.140 -50.611) 50.806 9.550 ( -30.344 -0.079 18.984) 35.793 9.550 ( -30.344 0.079 18.984) 35.793 10.055 ( -7.350 -0.454 6.619) 9.901 10.055 ( -7.350 0.454 6.619) 9.901 12.120 ( -0.865 -5.172 1.548) 5.468 12.120 ( -0.865 5.172 1.548) 5.468 12.368 ( 1.121 -6.698 2.102) 7.110 12.368 ( 1.121 6.698 2.102) 7.110 12.594 ( 1.288 -3.060 -1.673) 3.718 12.594 ( 1.288 3.060 -1.673) 3.718 12.891 ( -8.632 -4.432 1.007) 9.756 12.891 ( -8.632 4.432 1.007) 9.756 13.207 ( 0.186 -5.599 -1.160) 5.721 13.207 ( 0.186 5.599 -1.160) 5.721 13.466 ( -2.960 -3.567 8.675) 9.835 13.466 ( -2.960 3.567 8.675) 9.835 13.692 ( 8.194 -3.760 3.770) 9.772 13.692 ( 8.194 3.760 3.770) 9.772 13.960 ( -3.113 -1.907 -4.751) 5.992 13.960 ( -3.113 1.907 -4.751) 5.992 14.031 ( -1.420 -1.753 -5.016) 5.500 14.031 ( -1.420 1.753 -5.016) 5.500 14.224 ( 0.208 -2.201 1.330) 2.580 14.224 ( 0.208 2.201 1.330) 2.580 14.366 ( -1.892 -2.483 5.659) 6.462 14.366 ( -1.892 2.483 5.659) 6.462 14.502 ( 7.996 -2.943 4.530) 9.649 14.502 ( 7.996 2.943 4.530) 9.649 14.554 ( 3.930 -5.426 5.606) 8.736 14.554 ( 3.930 5.426 5.606) 8.736 14.939 ( -3.537 -2.994 1.963) 5.033 14.939 ( -3.537 2.994 1.963) 5.033 15.120 ( 3.058 -2.475 5.674) 6.904 15.120 ( 3.058 2.475 5.674) 6.904 15.219 ( 1.404 -0.447 -4.159) 4.413 15.219 ( 1.404 0.447 -4.159) 4.413 15.317 ( 2.092 -5.025 -3.786) 6.631 15.317 ( 2.092 5.025 -3.786) 6.631 15.609 ( 5.765 -0.848 -6.071) 8.415 15.609 ( 5.765 0.848 -6.071) 8.415 15.776 ( 7.107 -1.657 -6.919) 10.056 15.776 ( 7.107 1.657 -6.919) 10.056 15.847 ( 5.920 -2.034 -9.537) 11.408 15.847 ( 5.920 2.034 -9.537) 11.408 16.601 ( 4.300 -3.063 -2.137) 5.695 16.601 ( 4.300 3.063 -2.137) 5.695 17.042 ( 3.591 -5.778 -5.014) 8.451 17.042 ( 3.591 5.778 -5.014) 8.451 17.442 ( -2.555 -3.691 7.849) 9.042 17.442 ( -2.555 3.691 7.849) 9.042 18.098 ( -6.763 -10.359 -2.198) 12.565 18.098 ( -6.763 10.359 -2.198) 12.565 ======================= Grid point 157 (58/75) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.237 ( 4.603 -10.427 11.071) 15.889 2.237 ( 4.603 10.427 11.071) 15.889 2.446 ( 3.461 -5.896 11.024) 12.971 2.446 ( 3.461 5.896 11.024) 12.971 3.379 ( -8.376 -5.804 -5.290) 11.481 3.379 ( -8.376 5.804 -5.290) 11.481 3.549 ( 16.550 -2.811 20.386) 26.408 3.549 ( 16.550 2.811 20.386) 26.408 3.693 ( -1.902 -2.220 0.047) 2.924 3.693 ( -1.902 2.220 0.047) 2.924 4.056 ( 1.785 -6.872 8.771) 11.284 4.056 ( 1.784 6.872 8.771) 11.284 4.290 ( 4.033 -3.874 5.836) 8.082 4.290 ( 4.033 3.874 5.836) 8.082 4.658 ( -0.467 -11.116 -9.303) 14.503 4.658 ( -0.467 11.116 -9.303) 14.503 4.943 ( -0.891 -8.725 10.617) 13.771 4.943 ( -0.891 8.725 10.617) 13.771 5.278 ( 8.927 -3.598 22.237) 24.231 5.278 ( 8.927 3.598 22.237) 24.231 5.602 ( -2.901 -5.514 -3.194) 7.002 5.602 ( -2.901 5.514 -3.194) 7.002 5.994 ( 11.635 -1.376 -24.228) 26.912 5.994 ( 11.635 1.376 -24.228) 26.912 6.077 ( -23.568 -1.203 8.148) 24.966 6.077 ( -23.568 1.203 8.148) 24.965 6.612 ( -4.516 -5.136 0.131) 6.840 6.612 ( -4.516 5.136 0.131) 6.840 7.306 ( -3.290 -0.133 -22.052) 22.296 7.306 ( -3.290 0.133 -22.052) 22.296 8.413 ( 5.242 -0.047 -40.713) 41.049 8.413 ( 5.242 0.047 -40.713) 41.049 8.809 ( -39.433 -0.495 20.660) 44.520 8.809 ( -39.433 0.495 20.660) 44.520 9.782 ( -18.220 -0.481 -0.522) 18.234 9.782 ( -18.220 0.481 -0.522) 18.234 12.101 ( -0.657 -5.569 -2.389) 6.095 12.101 ( -0.657 5.569 -2.389) 6.095 12.373 ( -1.377 -5.855 1.763) 6.267 12.373 ( -1.377 5.855 1.763) 6.267 12.607 ( -0.086 -4.286 -3.315) 5.419 12.607 ( -0.086 4.286 -3.315) 5.419 12.791 ( -0.929 -4.956 0.307) 5.052 12.791 ( -0.929 4.956 0.307) 5.052 13.145 ( -3.781 -4.176 5.784) 8.074 13.145 ( -3.781 4.176 5.784) 8.074 13.424 ( -2.162 -4.482 8.883) 10.182 13.424 ( -2.162 4.482 8.883) 10.182 13.813 ( -1.502 -2.947 0.750) 3.391 13.813 ( -1.502 2.947 0.750) 3.391 13.878 ( 1.466 -2.638 2.895) 4.182 13.878 ( 1.466 2.638 2.895) 4.182 14.061 ( 1.404 -1.226 -5.936) 6.222 14.061 ( 1.404 1.226 -5.936) 6.222 14.219 ( -1.344 -1.520 0.714) 2.150 14.219 ( -1.344 1.520 0.714) 2.150 14.358 ( 3.566 -3.310 5.013) 6.986 14.358 ( 3.566 3.310 5.013) 6.986 14.583 ( 1.320 -5.555 3.185) 6.538 14.583 ( 1.320 5.555 3.185) 6.538 14.689 ( 4.908 -3.183 7.365) 9.406 14.689 ( 4.908 3.183 7.365) 9.406 14.893 ( 0.816 -3.475 3.821) 5.230 14.893 ( 0.816 3.475 3.821) 5.230 15.194 ( 2.385 -1.873 -1.052) 3.209 15.194 ( 2.385 1.873 -1.052) 3.209 15.254 ( 4.244 -0.158 3.284) 5.369 15.254 ( 4.244 0.158 3.284) 5.369 15.416 ( 5.938 -3.636 -5.317) 8.761 15.416 ( 5.938 3.636 -5.317) 8.761 15.662 ( 0.557 -1.941 -5.219) 5.596 15.662 ( 0.557 1.941 -5.219) 5.596 15.955 ( 5.950 -0.493 -9.053) 10.845 15.955 ( 5.950 0.493 -9.053) 10.845 15.985 ( 9.185 -0.925 -9.616) 13.330 15.985 ( 9.185 0.925 -9.616) 13.330 16.740 ( 9.283 -1.635 -0.858) 9.465 16.740 ( 9.283 1.635 -0.858) 9.465 17.151 ( 6.861 -5.795 -3.892) 9.788 17.151 ( 6.861 5.795 -3.892) 9.788 17.374 ( -3.961 -3.072 4.823) 6.956 17.374 ( -3.961 3.072 4.823) 6.956 17.920 ( -10.144 -8.436 -1.381) 13.266 17.920 ( -10.144 8.436 -1.381) 13.266 ======================= Grid point 159 (59/75) ======================= q-point: ( 0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.395 ( 9.914 -4.143 4.313) 11.578 2.395 ( 9.914 4.143 4.313) 11.578 2.516 ( 3.435 -2.483 6.288) 7.583 2.516 ( 3.435 2.483 6.288) 7.583 3.222 ( -4.651 -9.895 -3.159) 11.381 3.222 ( -4.651 9.895 -3.159) 11.381 3.546 ( -11.297 -5.177 3.878) 13.018 3.546 ( -11.297 5.177 3.878) 13.018 3.940 ( 15.625 -5.240 17.990) 24.398 3.940 ( 15.625 5.240 17.990) 24.398 4.116 ( 5.995 -2.869 5.359) 8.538 4.116 ( 5.995 2.869 5.359) 8.537 4.315 ( 0.884 -5.757 4.470) 7.342 4.315 ( 0.884 5.757 4.470) 7.342 4.670 ( 0.076 -7.719 -6.349) 9.995 4.670 ( 0.076 7.719 -6.350) 9.995 4.871 ( -2.367 -7.439 2.327) 8.146 4.871 ( -2.367 7.439 2.327) 8.146 5.308 ( -11.241 -9.284 -3.894) 15.090 5.308 ( -11.241 9.284 -3.894) 15.090 5.525 ( -21.685 -3.434 12.217) 25.125 5.525 ( -21.685 3.435 12.217) 25.125 5.880 ( 28.276 -0.425 29.102) 40.579 5.880 ( 28.276 0.425 29.102) 40.579 6.330 ( 14.465 -2.990 -21.905) 26.420 6.330 ( 14.465 2.990 -21.904) 26.420 6.602 ( 7.177 -3.439 -2.935) 8.482 6.602 ( 7.177 3.439 -2.935) 8.482 7.151 ( -11.990 -0.164 -29.020) 31.400 7.151 ( -11.990 0.164 -29.020) 31.400 7.841 ( -46.040 -0.585 27.461) 53.611 7.841 ( -46.040 0.585 27.461) 53.611 8.679 ( 12.278 -0.467 -32.484) 34.730 8.679 ( 12.278 0.467 -32.484) 34.730 9.376 ( -20.678 -0.240 -9.914) 22.933 9.376 ( -20.678 0.240 -9.914) 22.933 12.110 ( 1.904 -5.478 -3.736) 6.898 12.110 ( 1.904 5.478 -3.736) 6.899 12.299 ( -5.416 -5.558 -0.235) 7.764 12.299 ( -5.416 5.558 -0.235) 7.764 12.621 ( 1.631 -4.095 -2.971) 5.316 12.621 ( 1.631 4.095 -2.971) 5.316 12.800 ( 0.417 -5.003 -2.898) 5.797 12.800 ( 0.417 5.003 -2.898) 5.797 13.108 ( 0.113 -2.451 8.975) 9.304 13.108 ( 0.113 2.451 8.975) 9.304 13.372 ( -2.454 -4.666 9.329) 10.715 13.372 ( -2.455 4.666 9.329) 10.715 13.757 ( -1.561 -4.366 4.497) 6.459 13.757 ( -1.561 4.366 4.497) 6.459 13.873 ( -3.713 -3.528 4.219) 6.635 13.873 ( -3.713 3.528 4.219) 6.635 14.092 ( 2.270 -1.629 -2.370) 3.664 14.092 ( 2.270 1.629 -2.370) 3.664 14.205 ( 0.324 -0.697 -2.892) 2.992 14.205 ( 0.324 0.697 -2.892) 2.992 14.470 ( 4.622 -3.369 3.826) 6.881 14.470 ( 4.622 3.369 3.826) 6.881 14.565 ( -2.288 -3.491 3.988) 5.773 14.565 ( -2.288 3.491 3.988) 5.773 14.744 ( 2.713 -2.610 6.992) 7.941 14.744 ( 2.713 2.610 6.992) 7.941 14.931 ( 0.706 -1.876 4.982) 5.370 14.931 ( 0.706 1.876 4.982) 5.370 15.257 ( 3.890 -1.405 -0.830) 4.218 15.257 ( 3.890 1.405 -0.830) 4.218 15.360 ( 5.346 -0.600 4.158) 6.799 15.360 ( 5.346 0.600 4.158) 6.799 15.507 ( 2.317 -3.909 -4.969) 6.733 15.507 ( 2.317 3.909 -4.969) 6.733 15.648 ( -1.506 -2.779 -4.486) 5.488 15.648 ( -1.506 2.779 -4.486) 5.488 16.041 ( 3.021 -0.832 -9.611) 10.108 16.041 ( 3.021 0.832 -9.611) 10.108 16.144 ( 5.576 -0.503 -9.694) 11.194 16.144 ( 5.576 0.503 -9.694) 11.194 16.951 ( 10.657 -0.980 -0.211) 10.704 16.951 ( 10.657 0.980 -0.211) 10.704 17.267 ( -2.560 -3.832 3.931) 6.057 17.267 ( -2.560 3.832 3.931) 6.057 17.322 ( 5.568 -3.822 -4.489) 8.109 17.322 ( 5.568 3.822 -4.489) 8.109 17.709 ( -10.277 -6.706 -1.493) 12.362 17.709 ( -10.277 6.706 -1.493) 12.362 ======================= Grid point 161 (60/75) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.530 ( -0.000 0.000 -2.413) 2.413 2.530 ( -0.000 0.000 -2.413) 2.413 2.554 ( 0.000 -0.000 5.335) 5.335 2.554 ( 0.000 0.000 5.335) 5.335 3.243 ( -0.000 -0.000 6.772) 6.772 3.243 ( -0.000 0.000 6.772) 6.772 3.321 ( -0.000 -0.000 1.241) 1.241 3.321 ( 0.000 0.000 1.241) 1.241 4.122 ( 0.000 -0.000 1.227) 1.227 4.122 ( 0.000 0.001 1.227) 1.227 4.129 ( -0.001 -0.001 10.200) 10.200 4.129 ( 0.000 0.000 10.201) 10.201 4.507 ( -0.000 0.000 8.334) 8.334 4.507 ( 0.000 0.000 8.334) 8.334 4.562 ( -0.000 0.000 4.030) 4.030 4.562 ( 0.000 0.000 4.030) 4.030 4.888 ( 0.000 0.000 3.423) 3.423 4.888 ( -0.000 0.000 3.423) 3.423 5.080 ( -0.000 -0.000 3.975) 3.975 5.080 ( 0.000 0.000 3.975) 3.975 5.309 ( 0.000 0.000 -3.277) 3.277 5.309 ( 0.000 0.000 -3.277) 3.277 6.211 ( 0.000 0.000 3.664) 3.664 6.211 ( 0.000 0.000 3.664) 3.664 6.723 ( 0.000 0.000 -5.346) 5.346 6.723 ( 0.000 0.000 -5.346) 5.346 6.821 ( 0.000 0.000 -28.131) 28.131 6.821 ( -0.000 0.000 -28.131) 28.131 6.980 ( -0.000 0.000 26.467) 26.467 6.980 ( 0.000 -0.000 26.467) 26.467 7.002 ( -0.000 -0.000 7.508) 7.508 7.002 ( 0.000 0.000 7.508) 7.508 8.966 ( -0.000 0.000 -21.673) 21.673 8.966 ( 0.000 0.000 -21.673) 21.673 9.001 ( -0.000 0.000 -21.468) 21.468 9.001 ( 0.000 0.000 -21.468) 21.468 12.168 ( -0.000 -0.000 -2.789) 2.789 12.168 ( 0.000 -0.000 -2.789) 2.789 12.201 ( -0.000 0.000 -2.546) 2.546 12.201 ( 0.000 0.000 -2.546) 2.546 12.646 ( -0.000 -0.000 -2.945) 2.945 12.646 ( 0.000 0.000 -2.945) 2.945 12.800 ( 0.000 0.000 -2.067) 2.067 12.800 ( 0.000 0.000 -2.067) 2.067 13.117 ( -0.000 -0.000 6.876) 6.876 13.117 ( 0.000 0.000 6.876) 6.876 13.345 ( 0.000 0.000 9.752) 9.752 13.345 ( -0.000 0.000 9.752) 9.752 13.754 ( -0.000 -0.000 4.858) 4.858 13.754 ( 0.000 0.000 4.858) 4.858 13.808 ( 0.000 -0.000 6.587) 6.587 13.808 ( 0.000 0.000 6.587) 6.587 14.123 ( 0.000 0.000 -1.244) 1.244 14.123 ( 0.000 0.000 -1.244) 1.244 14.213 ( 0.000 0.000 -2.466) 2.466 14.213 ( 0.000 0.000 -2.466) 2.466 14.510 ( 0.000 -0.000 -0.308) 0.308 14.510 ( 0.000 0.000 -0.308) 0.308 14.533 ( -0.000 -0.000 5.685) 5.685 14.533 ( -0.000 0.000 5.685) 5.685 14.793 ( 0.000 0.000 7.721) 7.721 14.793 ( 0.000 0.000 7.721) 7.721 14.924 ( -0.000 0.000 5.771) 5.771 14.924 ( 0.000 0.000 5.771) 5.771 15.303 ( -0.000 0.000 -0.310) 0.310 15.303 ( -0.000 0.000 -0.310) 0.310 15.433 ( 0.000 0.000 2.733) 2.733 15.433 ( -0.000 0.000 2.733) 2.733 15.517 ( 0.000 0.000 -0.958) 0.958 15.517 ( -0.000 0.000 -0.958) 0.958 15.627 ( 0.000 0.000 -7.041) 7.041 15.627 ( 0.000 0.000 -7.041) 7.041 16.073 ( 0.000 0.000 -9.086) 9.086 16.073 ( 0.000 0.000 -9.086) 9.086 16.201 ( 0.000 0.000 -9.890) 9.890 16.201 ( 0.000 0.000 -9.890) 9.890 17.133 ( -0.000 -0.000 2.206) 2.206 17.133 ( 0.000 0.000 2.206) 2.206 17.154 ( -0.000 0.000 -0.940) 0.940 17.154 ( 0.000 -0.000 -0.940) 0.940 17.454 ( -0.000 -0.000 -0.078) 0.078 17.454 ( -0.000 0.000 -0.078) 0.078 17.547 ( 0.000 -0.000 -4.081) 4.081 17.547 ( 0.000 0.000 -4.081) 4.081 ======================= Grid point 180 (61/75) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.454 ( 0.000 0.000 11.691) 11.691 2.501 ( 0.000 0.000 43.208) 43.208 2.741 ( 0.000 0.000 0.093) 0.093 2.782 ( 0.000 0.000 0.992) 0.992 3.383 ( 0.000 0.000 -40.550) 40.550 3.444 ( 0.000 0.000 -3.912) 3.912 3.545 ( 0.000 0.000 35.351) 35.351 3.693 ( 0.000 0.000 16.730) 16.730 3.759 ( 0.000 0.000 10.134) 10.134 3.815 ( 0.000 0.000 2.914) 2.914 3.927 ( 0.000 0.000 -5.892) 5.892 4.002 ( 0.000 0.000 -2.434) 2.434 4.213 ( 0.000 0.000 5.908) 5.908 4.285 ( 0.000 0.000 1.461) 1.461 4.462 ( 0.000 0.000 8.715) 8.715 4.668 ( 0.000 0.000 -35.275) 35.275 4.823 ( 0.000 0.000 -26.581) 26.581 4.928 ( 0.000 0.000 -8.617) 8.617 4.961 ( 0.000 0.000 6.997) 6.997 5.379 ( 0.000 0.000 3.262) 3.262 5.531 ( 0.000 0.000 1.829) 1.829 5.815 ( 0.000 0.000 57.200) 57.200 6.000 ( 0.000 0.000 34.404) 34.404 6.298 ( 0.000 0.000 -1.215) 1.215 6.338 ( 0.000 0.000 2.535) 2.535 6.783 ( 0.000 0.000 -15.256) 15.256 6.828 ( 0.000 0.000 -1.144) 1.144 6.836 ( 0.000 0.000 -1.239) 1.239 7.046 ( 0.000 0.000 -57.476) 57.476 7.130 ( 0.000 0.000 -1.176) 1.176 7.163 ( 0.000 0.000 -2.806) 2.806 7.267 ( 0.000 0.000 -32.826) 32.826 10.140 ( 0.000 0.000 5.937) 5.937 10.168 ( 0.000 0.000 5.966) 5.966 10.243 ( 0.000 0.000 4.663) 4.663 10.259 ( 0.000 0.000 4.880) 4.880 12.070 ( 0.000 0.000 1.773) 1.773 12.184 ( 0.000 0.000 2.713) 2.713 12.336 ( 0.000 0.000 -2.191) 2.191 12.350 ( 0.000 0.000 1.967) 1.967 12.693 ( 0.000 0.000 -4.476) 4.476 12.695 ( 0.000 0.000 -0.354) 0.354 12.861 ( 0.000 0.000 4.728) 4.728 13.142 ( 0.000 0.000 5.258) 5.258 13.180 ( 0.000 0.000 -5.872) 5.872 13.257 ( 0.000 0.000 5.101) 5.101 13.477 ( 0.000 0.000 4.817) 4.817 13.571 ( 0.000 0.000 3.158) 3.158 13.713 ( 0.000 0.000 -7.992) 7.992 13.725 ( 0.000 0.000 2.137) 2.137 13.748 ( 0.000 0.000 -7.994) 7.994 13.796 ( 0.000 0.000 -7.649) 7.649 13.916 ( 0.000 0.000 8.771) 8.771 14.152 ( 0.000 0.000 0.089) 0.089 14.187 ( 0.000 0.000 -8.384) 8.384 14.294 ( 0.000 0.000 0.194) 0.194 14.302 ( 0.000 0.000 1.608) 1.608 14.412 ( 0.000 0.000 2.668) 2.668 14.480 ( 0.000 0.000 2.597) 2.597 14.602 ( 0.000 0.000 9.987) 9.987 14.649 ( 0.000 0.000 7.214) 7.214 14.839 ( 0.000 0.000 -3.366) 3.366 14.925 ( 0.000 0.000 1.763) 1.763 15.008 ( 0.000 0.000 2.224) 2.224 15.023 ( 0.000 0.000 5.386) 5.386 15.082 ( 0.000 0.000 -3.379) 3.379 15.150 ( 0.000 0.000 -4.748) 4.748 15.193 ( 0.000 0.000 4.417) 4.417 15.284 ( 0.000 0.000 -5.700) 5.700 15.428 ( 0.000 0.000 -1.645) 1.645 15.428 ( 0.000 0.000 -0.600) 0.600 15.430 ( 0.000 0.000 -5.505) 5.505 15.533 ( 0.000 0.000 5.520) 5.520 15.595 ( 0.000 0.000 -5.857) 5.857 15.617 ( 0.000 0.000 -3.883) 3.883 15.676 ( 0.000 0.000 -6.301) 6.301 16.468 ( 0.000 0.000 3.342) 3.342 16.595 ( 0.000 0.000 -8.133) 8.133 16.720 ( 0.000 0.000 1.169) 1.169 17.000 ( 0.000 0.000 -5.483) 5.483 17.497 ( 0.000 0.000 4.056) 4.056 17.834 ( 0.000 0.000 8.168) 8.168 17.854 ( 0.000 0.000 0.041) 0.041 18.299 ( 0.000 0.000 -7.557) 7.557 ======================= Grid point 181 (62/75) ======================= q-point: ( 0.12 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -0.787 0.000 9.699) 9.730 2.488 ( -0.133 0.000 41.809) 41.809 2.680 ( -5.434 0.000 1.079) 5.540 2.723 ( -5.096 0.000 -0.385) 5.110 3.341 ( -2.263 0.000 -37.736) 37.804 3.419 ( -6.372 0.000 -4.954) 8.071 3.590 ( -6.002 0.000 2.450) 6.482 3.729 ( 15.800 0.000 33.424) 36.970 3.789 ( 3.336 0.000 10.343) 10.868 3.826 ( 5.012 0.000 8.767) 10.098 3.998 ( 1.817 0.000 0.575) 1.906 4.071 ( 5.874 0.000 2.082) 6.232 4.214 ( -0.537 0.000 4.889) 4.918 4.271 ( -0.685 0.000 1.379) 1.540 4.468 ( 1.769 0.000 1.033) 2.048 4.784 ( 10.897 0.000 -35.543) 37.176 4.837 ( 2.802 0.000 -8.324) 8.783 4.934 ( -3.468 0.000 6.956) 7.773 5.052 ( 10.317 0.000 -20.003) 22.507 5.276 ( -9.502 0.000 0.176) 9.504 5.448 ( -7.133 0.000 3.131) 7.790 5.956 ( 13.164 0.000 54.200) 55.776 6.051 ( 5.048 0.000 35.036) 35.398 6.252 ( -8.563 0.000 1.739) 8.738 6.288 ( -0.897 0.000 -0.930) 1.292 6.693 ( -12.040 0.000 5.598) 13.277 6.706 ( -12.250 0.000 4.193) 12.948 6.786 ( -0.781 0.000 -8.117) 8.155 7.061 ( -6.732 0.000 -7.868) 10.355 7.087 ( -5.393 0.000 -9.983) 11.347 7.149 ( 7.772 0.000 -54.031) 54.587 7.325 ( 6.199 0.000 -37.152) 37.665 9.894 ( -22.756 0.000 13.242) 26.329 9.908 ( -23.736 0.000 13.838) 27.475 10.085 ( -15.647 0.000 -2.952) 15.923 10.105 ( -15.772 0.000 -3.485) 16.152 12.001 ( -4.564 0.000 0.555) 4.598 12.242 ( 3.205 0.000 4.399) 5.443 12.309 ( -3.535 0.000 0.572) 3.581 12.336 ( 0.703 0.000 -3.646) 3.713 12.600 ( -7.320 0.000 -3.766) 8.232 12.686 ( -0.522 0.000 -1.137) 1.251 12.864 ( -0.306 0.000 5.781) 5.789 13.031 ( -8.386 0.000 -2.783) 8.835 13.182 ( 2.007 0.000 6.738) 7.031 13.382 ( 5.636 0.000 3.322) 6.542 13.488 ( 0.279 0.000 6.135) 6.142 13.608 ( 3.335 0.000 1.195) 3.543 13.675 ( -3.399 0.000 -9.956) 10.520 13.698 ( -1.994 0.000 1.289) 2.374 13.784 ( 3.955 0.000 -3.610) 5.355 13.787 ( 0.170 0.000 -5.610) 5.612 13.964 ( 3.828 0.000 1.186) 4.007 14.144 ( -1.557 0.000 -3.094) 3.464 14.181 ( 3.455 0.000 1.567) 3.794 14.245 ( -4.051 0.000 0.179) 4.055 14.340 ( 3.394 0.000 0.686) 3.462 14.512 ( -0.284 0.000 2.424) 2.441 14.539 ( 5.927 0.000 4.065) 7.188 14.621 ( 5.126 0.000 9.689) 10.961 14.721 ( 8.172 0.000 6.771) 10.612 14.813 ( -0.918 0.000 -3.032) 3.168 14.936 ( 1.163 0.000 2.674) 2.916 14.975 ( -4.256 0.000 1.364) 4.469 15.045 ( 1.641 0.000 4.941) 5.207 15.091 ( 1.509 0.000 -4.951) 5.176 15.175 ( 2.686 0.000 -6.265) 6.816 15.231 ( 4.535 0.000 5.604) 7.209 15.263 ( -0.559 0.000 -5.169) 5.199 15.457 ( 1.988 0.000 5.997) 6.318 15.478 ( 5.354 0.000 -2.863) 6.072 15.511 ( 5.735 0.000 -5.882) 8.215 15.588 ( 5.271 0.000 -3.333) 6.237 15.689 ( 5.772 0.000 -2.279) 6.206 15.697 ( 7.731 0.000 -3.118) 8.336 15.709 ( 3.450 0.000 -7.170) 7.957 16.533 ( 6.407 0.000 2.972) 7.063 16.654 ( 5.783 0.000 -7.477) 9.452 16.738 ( 2.156 0.000 0.913) 2.342 17.049 ( 4.870 0.000 -4.871) 6.888 17.458 ( -3.567 0.000 3.510) 5.004 17.777 ( -5.494 0.000 6.896) 8.817 17.803 ( -4.883 0.000 0.138) 4.885 18.232 ( -6.336 0.000 -6.169) 8.843 ======================= Grid point 182 (63/75) ======================= q-point: ( 0.25 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 111 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.434 ( 0.177 0.000 4.853) 4.856 2.554 ( 7.911 0.000 36.866) 37.705 2.561 ( -5.114 0.000 2.244) 5.585 2.617 ( -4.576 0.000 -1.665) 4.870 3.166 ( -14.584 0.000 -3.476) 14.993 3.350 ( 4.328 0.000 -34.885) 35.153 3.594 ( 2.746 0.000 -1.015) 2.927 3.707 ( -6.317 0.000 1.600) 6.517 4.037 ( 4.620 0.000 3.079) 5.552 4.040 ( 2.511 0.000 0.128) 2.514 4.083 ( 12.636 0.000 22.032) 25.399 4.165 ( -2.321 0.000 13.029) 13.234 4.193 ( 11.275 0.000 18.010) 21.248 4.283 ( 2.690 0.000 3.088) 4.095 4.548 ( 5.686 0.000 -2.879) 6.373 4.790 ( -9.987 0.000 8.429) 13.068 4.941 ( 6.697 0.000 4.283) 7.950 4.999 ( -6.006 0.000 -15.630) 16.744 5.131 ( 12.445 0.000 -26.529) 29.303 5.231 ( -3.389 0.000 -10.454) 10.990 5.372 ( 11.638 0.000 -13.261) 17.644 5.989 ( -17.111 0.000 -0.163) 17.112 6.170 ( 3.940 0.000 20.920) 21.288 6.255 ( -5.438 0.000 6.847) 8.744 6.329 ( 21.473 0.000 48.711) 53.234 6.379 ( -17.188 0.000 14.497) 22.486 6.381 ( -13.802 0.000 12.983) 18.949 6.782 ( 0.528 0.000 5.822) 5.846 6.879 ( -8.519 0.000 -13.238) 15.742 6.889 ( -12.892 0.000 -16.697) 21.095 7.413 ( 17.191 0.000 -51.113) 53.926 7.532 ( 14.179 0.000 -40.586) 42.991 9.278 ( -36.879 0.000 21.878) 42.881 9.287 ( -35.487 0.000 21.147) 41.310 9.643 ( -26.768 0.000 -12.002) 29.336 9.652 ( -27.662 0.000 -12.920) 30.530 11.926 ( -2.423 0.000 -0.647) 2.508 12.240 ( -2.358 0.000 -1.066) 2.588 12.248 ( -2.946 0.000 1.991) 3.556 12.395 ( 4.005 0.000 -0.828) 4.089 12.468 ( -3.699 0.000 -3.920) 5.390 12.692 ( 0.762 0.000 -1.636) 1.805 12.770 ( -8.760 0.000 3.619) 9.478 12.930 ( -1.509 0.000 -3.030) 3.385 13.187 ( -1.504 0.000 6.943) 7.104 13.407 ( -8.526 0.000 3.676) 9.285 13.447 ( 1.542 0.000 8.632) 8.769 13.633 ( -0.044 0.000 -2.012) 2.013 13.674 ( -0.945 0.000 1.279) 1.590 13.697 ( 5.895 0.000 -2.779) 6.517 13.847 ( 5.205 0.000 -5.092) 7.282 13.874 ( 4.267 0.000 -4.652) 6.312 14.040 ( 3.801 0.000 -2.291) 4.438 14.080 ( -10.506 0.000 0.978) 10.551 14.171 ( 3.822 0.000 0.451) 3.849 14.316 ( 8.129 0.000 2.924) 8.639 14.399 ( -2.374 0.000 6.693) 7.102 14.484 ( 3.384 0.000 -1.013) 3.532 14.660 ( -1.660 0.000 8.868) 9.022 14.665 ( 3.382 0.000 2.876) 4.440 14.874 ( 2.771 0.000 -7.057) 7.581 14.902 ( 6.365 0.000 4.548) 7.823 14.914 ( 4.361 0.000 5.897) 7.334 14.961 ( 1.155 0.000 3.188) 3.391 15.066 ( 0.591 0.000 4.025) 4.069 15.136 ( 2.226 0.000 -5.113) 5.577 15.249 ( 4.387 0.000 -1.883) 4.774 15.308 ( 5.566 0.000 -6.399) 8.482 15.345 ( 6.057 0.000 4.462) 7.523 15.515 ( 3.549 0.000 8.575) 9.281 15.590 ( 4.131 0.000 1.036) 4.258 15.647 ( 7.964 0.000 -7.426) 10.889 15.685 ( 2.952 0.000 -4.336) 5.246 15.804 ( 5.642 0.000 -7.639) 9.497 15.805 ( 5.337 0.000 -2.840) 6.045 15.850 ( 6.592 0.000 -5.861) 8.821 16.714 ( 10.760 0.000 2.001) 10.944 16.817 ( 9.748 0.000 -5.805) 11.345 16.829 ( 7.117 0.000 0.660) 7.147 17.188 ( 8.478 0.000 -3.870) 9.320 17.365 ( -5.317 0.000 2.182) 5.747 17.629 ( -8.477 0.000 4.139) 9.434 17.665 ( -8.516 0.000 0.173) 8.518 18.063 ( -9.894 0.000 -3.402) 10.462 ======================= Grid point 183 (64/75) ======================= q-point: ( 0.38 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 1.975 0.000 -0.757) 2.115 2.506 ( -0.581 0.000 1.820) 1.911 2.565 ( 0.541 0.000 -0.512) 0.745 2.836 ( 19.904 0.000 28.419) 34.696 2.890 ( -12.379 0.000 -2.779) 12.687 3.533 ( 11.867 0.000 -23.255) 26.108 3.591 ( -2.622 0.000 0.816) 2.746 3.657 ( 0.985 0.000 -1.565) 1.849 3.899 ( -17.568 0.000 9.358) 19.905 3.989 ( -4.205 0.000 1.386) 4.427 4.052 ( -2.009 0.000 0.503) 2.071 4.192 ( -4.092 0.000 -6.374) 7.575 4.394 ( 1.388 0.000 10.804) 10.892 4.531 ( 17.452 0.000 13.927) 22.327 4.592 ( -12.245 0.000 -0.420) 12.252 4.692 ( 9.027 0.000 0.708) 9.054 4.939 ( 12.881 0.000 16.530) 20.957 4.975 ( -4.922 0.000 3.246) 5.896 5.235 ( 8.662 0.000 7.739) 11.615 5.544 ( 22.811 0.000 -34.295) 41.188 5.585 ( -20.804 0.000 -1.049) 20.830 5.734 ( 18.974 0.000 -24.992) 31.378 5.862 ( -23.973 0.000 22.236) 32.698 5.978 ( -18.238 0.000 15.625) 24.016 6.191 ( -3.159 0.000 1.529) 3.510 6.305 ( -1.262 0.000 -0.915) 1.558 6.570 ( -14.498 0.000 -21.939) 26.296 6.576 ( -17.447 0.000 -23.379) 29.171 6.900 ( 32.062 0.000 43.657) 54.165 7.084 ( 22.837 0.000 31.777) 39.132 7.824 ( 22.130 0.000 -40.104) 45.805 7.870 ( 16.754 0.000 -32.831) 36.859 8.485 ( -39.189 0.000 27.255) 47.735 8.544 ( -34.282 0.000 23.844) 41.759 9.040 ( -31.615 0.000 -21.761) 38.380 9.057 ( -29.883 0.000 -20.173) 36.054 11.917 ( 1.693 0.000 -1.160) 2.052 12.131 ( -7.388 0.000 -0.388) 7.398 12.240 ( 2.665 0.000 -1.364) 2.994 12.448 ( 3.111 0.000 -0.914) 3.242 12.499 ( 3.110 0.000 -1.240) 3.348 12.541 ( -10.695 0.000 0.526) 10.708 12.762 ( 3.706 0.000 -1.872) 4.152 12.898 ( -2.185 0.000 -2.504) 3.323 13.136 ( -2.879 0.000 4.465) 5.313 13.220 ( -8.384 0.000 0.675) 8.411 13.480 ( 2.284 0.000 8.355) 8.662 13.630 ( -3.512 0.000 1.325) 3.754 13.647 ( 1.582 0.000 1.625) 2.268 13.833 ( 1.343 0.000 2.445) 2.790 13.884 ( -1.632 0.000 -1.801) 2.431 13.961 ( 4.837 0.000 -1.170) 4.976 13.971 ( 5.231 0.000 -2.761) 5.915 14.128 ( 3.824 0.000 1.139) 3.990 14.249 ( 2.159 0.000 0.307) 2.181 14.274 ( -5.904 0.000 1.788) 6.168 14.407 ( -0.253 0.000 3.242) 3.252 14.530 ( -8.317 0.000 1.874) 8.525 14.622 ( 6.995 0.000 0.382) 7.006 14.763 ( 7.548 0.000 5.236) 9.186 14.890 ( -5.571 0.000 1.685) 5.820 14.940 ( 2.058 0.000 2.735) 3.422 15.001 ( 3.272 0.000 3.844) 5.048 15.046 ( 5.856 0.000 -1.614) 6.075 15.097 ( 1.214 0.000 4.669) 4.824 15.161 ( -0.019 0.000 -5.666) 5.666 15.372 ( 6.568 0.000 -0.559) 6.591 15.448 ( 7.402 0.000 -3.509) 8.191 15.468 ( 6.174 0.000 4.702) 7.761 15.560 ( 0.162 0.000 5.873) 5.876 15.631 ( -0.124 0.000 4.468) 4.470 15.695 ( -1.639 0.000 1.073) 1.959 15.804 ( 6.823 0.000 -6.535) 9.448 15.892 ( 2.776 0.000 -4.790) 5.536 15.914 ( 4.712 0.000 -8.537) 9.751 15.953 ( 3.369 0.000 -8.594) 9.231 16.936 ( 10.437 0.000 0.775) 10.466 17.011 ( 10.167 0.000 0.217) 10.169 17.028 ( 10.860 0.000 -3.534) 11.421 17.252 ( -5.900 0.000 0.741) 5.946 17.345 ( 2.480 0.000 -2.633) 3.617 17.470 ( -10.458 0.000 -0.272) 10.461 17.482 ( -1.587 0.000 1.513) 2.193 17.850 ( -10.853 0.000 -1.478) 10.953 ======================= Grid point 184 (65/75) ======================= q-point: (-0.50 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.491 ( -1.114 0.000 -0.908) 1.437 2.491 ( 1.114 0.000 -0.908) 1.437 2.673 ( -8.849 0.000 -1.007) 8.906 2.673 ( 8.849 0.000 -1.007) 8.906 3.322 ( -26.042 0.000 20.261) 32.995 3.322 ( 26.042 0.000 20.261) 32.995 3.610 ( -4.020 0.000 -0.077) 4.021 3.610 ( 4.020 0.000 -0.077) 4.021 3.962 ( -17.304 0.000 -19.234) 25.872 3.962 ( 17.304 0.000 -19.234) 25.872 3.984 ( -3.459 0.000 0.594) 3.510 3.984 ( 3.459 0.000 0.594) 3.510 4.412 ( -3.189 0.000 1.151) 3.390 4.412 ( 3.189 0.000 1.151) 3.390 4.767 ( -6.615 0.000 4.738) 8.137 4.767 ( 6.615 0.000 4.738) 8.137 5.087 ( -19.360 0.000 4.454) 19.866 5.087 ( 19.360 0.000 4.454) 19.866 5.365 ( -24.434 0.000 27.419) 36.727 5.365 ( 24.434 0.000 27.419) 36.727 5.576 ( -16.494 0.000 12.677) 20.803 5.576 ( 16.494 0.000 12.677) 20.803 5.979 ( -18.107 0.000 -25.626) 31.378 5.979 ( 18.107 0.000 -25.626) 31.378 6.185 ( -20.705 0.000 -26.851) 33.907 6.185 ( 20.705 0.000 -26.851) 33.907 6.344 ( -6.107 0.000 -6.903) 9.216 6.344 ( 6.107 0.000 -6.903) 9.216 7.616 ( -37.494 0.000 34.961) 51.265 7.616 ( 37.494 0.000 34.961) 51.265 7.665 ( -31.757 0.000 29.415) 43.287 7.665 ( 31.757 0.000 29.415) 43.287 8.420 ( -28.233 0.000 -29.836) 41.076 8.420 ( 28.233 0.000 -29.836) 41.076 8.488 ( -24.292 0.000 -25.133) 34.954 8.488 ( 24.292 0.000 -25.133) 34.954 11.993 ( -5.666 0.000 -1.117) 5.775 11.993 ( 5.666 0.000 -1.117) 5.775 12.348 ( -7.811 0.000 -0.775) 7.850 12.348 ( 7.811 0.000 -0.775) 7.850 12.513 ( -2.005 0.000 -0.666) 2.113 12.513 ( 2.005 0.000 -0.666) 2.113 12.839 ( -3.556 0.000 -2.145) 4.153 12.839 ( 3.556 0.000 -2.145) 4.153 13.113 ( -1.725 0.000 1.669) 2.400 13.113 ( 1.725 0.000 1.669) 2.400 13.547 ( -4.156 0.000 4.202) 5.910 13.547 ( 4.156 0.000 4.202) 5.910 13.712 ( -5.162 0.000 1.925) 5.510 13.712 ( 5.162 0.000 1.925) 5.510 14.004 ( -3.655 0.000 -0.084) 3.656 14.004 ( 3.655 0.000 -0.084) 3.656 14.078 ( -6.403 0.000 3.004) 7.072 14.078 ( 6.403 0.000 3.004) 7.072 14.256 ( -2.230 0.000 -0.948) 2.423 14.256 ( 2.230 0.000 -0.948) 2.423 14.402 ( -2.703 0.000 1.258) 2.981 14.402 ( 2.703 0.000 1.258) 2.981 14.756 ( -6.803 0.000 0.300) 6.810 14.756 ( 6.803 0.000 0.300) 6.810 14.909 ( -5.097 0.000 5.361) 7.397 14.909 ( 5.097 0.000 5.361) 7.397 15.077 ( -3.121 0.000 4.970) 5.869 15.077 ( 3.121 0.000 4.970) 5.869 15.132 ( -2.767 0.000 -5.201) 5.891 15.132 ( 2.767 0.000 -5.201) 5.891 15.482 ( -4.100 0.000 -2.602) 4.856 15.482 ( 4.100 0.000 -2.602) 4.856 15.583 ( -4.523 0.000 5.521) 7.137 15.583 ( 4.523 0.000 5.521) 7.137 15.620 ( -5.652 0.000 4.759) 7.388 15.620 ( 5.652 0.000 4.759) 7.388 15.900 ( -2.250 0.000 -5.800) 6.221 15.900 ( 2.250 0.000 -5.800) 6.221 15.976 ( -1.132 0.000 -8.941) 9.013 15.976 ( 1.132 0.000 -8.941) 9.013 17.118 ( -7.576 0.000 0.155) 7.578 17.118 ( 7.576 0.000 0.155) 7.578 17.215 ( -9.627 0.000 -0.309) 9.632 17.215 ( 9.627 0.000 -0.309) 9.632 17.251 ( -11.047 0.000 -1.503) 11.149 17.251 ( 11.047 0.000 -1.503) 11.149 17.632 ( -10.478 0.000 -0.957) 10.522 17.632 ( 10.478 0.000 -0.957) 10.522 ======================= Grid point 189 (66/75) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.492 ( 0.000 3.225 10.608) 11.088 2.567 ( 0.000 5.201 36.773) 37.139 2.693 ( 0.000 -3.951 2.809) 4.848 2.766 ( 0.000 -1.694 5.955) 6.192 3.306 ( 0.000 -3.197 -26.259) 26.453 3.420 ( 0.000 -4.141 -13.805) 14.412 3.574 ( 0.000 2.311 31.741) 31.825 3.681 ( 0.000 -1.317 20.087) 20.130 3.837 ( 0.000 2.037 0.839) 2.203 3.838 ( 0.000 7.079 11.001) 13.082 3.972 ( 0.000 -2.498 -1.990) 3.193 4.038 ( 0.000 9.054 -7.716) 11.896 4.188 ( 0.000 -3.061 5.145) 5.987 4.307 ( 0.000 0.535 1.375) 1.476 4.426 ( 0.000 -1.500 7.117) 7.274 4.691 ( 0.000 1.890 -33.835) 33.888 4.721 ( 0.000 -10.836 -9.775) 14.594 4.799 ( 0.000 -1.964 -27.704) 27.773 5.184 ( 0.000 12.313 9.590) 15.607 5.404 ( 0.000 2.062 2.990) 3.632 5.511 ( 0.000 -1.715 2.002) 2.636 5.754 ( 0.000 -7.231 46.320) 46.881 5.988 ( 0.000 -0.820 32.358) 32.368 6.069 ( 0.000 -7.191 10.923) 13.078 6.576 ( 0.000 9.427 -0.611) 9.446 6.774 ( 0.000 -0.958 -14.267) 14.300 6.829 ( 0.000 0.099 -1.157) 1.161 6.835 ( 0.000 -0.098 -1.225) 1.229 7.067 ( 0.000 1.906 -51.858) 51.893 7.132 ( 0.000 0.121 -2.144) 2.148 7.162 ( 0.000 -0.092 -4.990) 4.991 7.236 ( 0.000 -2.570 -34.726) 34.821 10.144 ( 0.000 0.355 5.941) 5.952 10.164 ( 0.000 -0.350 5.961) 5.971 10.245 ( 0.000 0.189 4.687) 4.691 10.257 ( 0.000 -0.218 4.842) 4.847 12.105 ( 0.000 3.040 1.795) 3.530 12.250 ( 0.000 5.563 2.595) 6.139 12.301 ( 0.000 -3.965 1.934) 4.412 12.376 ( 0.000 2.951 -1.624) 3.368 12.649 ( 0.000 -3.650 -0.336) 3.665 12.653 ( 0.000 -4.421 -0.802) 4.493 12.860 ( 0.000 1.840 0.048) 1.840 13.106 ( 0.000 -5.798 -5.187) 7.779 13.162 ( 0.000 1.576 5.206) 5.440 13.241 ( 0.000 -1.299 5.115) 5.277 13.558 ( 0.000 6.323 5.434) 8.337 13.599 ( 0.000 2.304 3.172) 3.921 13.707 ( 0.000 -1.380 1.590) 2.106 13.719 ( 0.000 0.210 -6.770) 6.773 13.741 ( 0.000 -0.514 -8.568) 8.583 13.812 ( 0.000 -0.183 -2.524) 2.530 13.896 ( 0.000 -0.465 3.677) 3.706 14.098 ( 0.000 -6.419 -8.826) 10.913 14.172 ( 0.000 1.699 0.069) 1.700 14.272 ( 0.000 -1.840 0.148) 1.846 14.370 ( 0.000 5.473 1.568) 5.693 14.424 ( 0.000 1.013 2.692) 2.876 14.472 ( 0.000 -0.706 2.640) 2.733 14.617 ( 0.000 -2.955 5.385) 6.143 14.644 ( 0.000 2.779 9.743) 10.131 14.781 ( 0.000 -3.706 2.846) 4.672 14.991 ( 0.000 4.876 -2.525) 5.491 15.010 ( 0.000 0.157 2.411) 2.416 15.019 ( 0.000 -0.223 4.375) 4.381 15.094 ( 0.000 0.940 -2.848) 2.999 15.141 ( 0.000 -0.732 -4.062) 4.128 15.222 ( 0.000 1.970 3.084) 3.660 15.242 ( 0.000 -3.258 -5.424) 6.328 15.377 ( 0.000 -3.624 -0.975) 3.753 15.417 ( 0.000 -0.380 -1.514) 1.561 15.428 ( 0.000 -0.399 -1.806) 1.849 15.574 ( 0.000 2.580 0.654) 2.661 15.602 ( 0.000 0.525 -5.147) 5.173 15.618 ( 0.000 -0.009 -3.980) 3.980 15.663 ( 0.000 -1.099 -5.065) 5.183 16.483 ( 0.000 1.291 2.124) 2.486 16.563 ( 0.000 -1.929 -4.658) 5.042 16.791 ( 0.000 4.900 -1.433) 5.106 16.975 ( 0.000 -2.247 -4.939) 5.426 17.538 ( 0.000 3.566 4.637) 5.850 17.762 ( 0.000 -4.554 7.043) 8.388 17.936 ( 0.000 5.475 -0.545) 5.502 18.237 ( 0.000 -5.304 -6.474) 8.369 ======================= Grid point 190 (67/75) ======================= q-point: ( 0.12 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.469 ( -1.931 2.067 9.439) 9.853 2.525 ( -2.950 2.144 28.931) 29.160 2.669 ( -2.335 -0.477 8.248) 8.585 2.719 ( -4.167 -0.459 3.931) 5.747 3.276 ( -2.108 -3.254 -27.533) 27.805 3.367 ( -5.898 -4.448 -8.728) 11.435 3.667 ( -5.416 5.035 2.026) 7.667 3.710 ( 8.676 0.414 23.543) 25.094 3.787 ( 10.070 -1.159 19.885) 22.319 3.864 ( -2.023 0.062 6.193) 6.515 4.050 ( 6.672 2.376 5.237) 8.809 4.092 ( 3.758 7.071 -2.408) 8.362 4.216 ( 2.262 -1.025 3.090) 3.964 4.313 ( 0.465 2.506 0.421) 2.583 4.427 ( 0.668 -2.643 2.850) 3.944 4.693 ( 0.814 -9.840 -6.324) 11.726 4.809 ( 10.885 2.087 -34.097) 35.853 4.941 ( 9.793 -2.556 -23.723) 25.792 5.156 ( -3.715 9.487 8.183) 13.068 5.328 ( -6.105 4.514 -1.760) 7.794 5.421 ( -7.612 -2.344 3.841) 8.843 5.842 ( 4.807 -12.394 26.799) 29.915 6.034 ( 4.931 -0.545 33.788) 34.150 6.076 ( 3.105 -2.456 27.040) 27.328 6.532 ( -4.211 9.681 0.214) 10.560 6.695 ( -11.519 0.157 5.098) 12.598 6.703 ( -12.317 -0.127 4.258) 13.033 6.772 ( -1.508 -1.346 -7.052) 7.336 7.064 ( -6.489 0.299 -8.180) 10.445 7.083 ( -5.675 -0.338 -9.285) 10.887 7.170 ( 7.779 1.913 -52.212) 52.823 7.298 ( 6.517 -2.355 -39.505) 40.108 9.896 ( -22.910 0.164 13.332) 26.507 9.906 ( -23.602 -0.168 13.752) 27.316 10.087 ( -15.664 0.232 -3.041) 15.958 10.102 ( -15.752 -0.262 -3.416) 16.120 12.041 ( -4.493 3.434 0.564) 5.683 12.255 ( -3.767 -4.171 0.603) 5.653 12.299 ( 2.693 4.582 3.932) 6.611 12.376 ( 0.593 3.037 -2.784) 4.162 12.606 ( -4.925 -0.557 -2.133) 5.396 12.642 ( -0.462 -3.494 -1.094) 3.691 12.823 ( -1.818 -1.749 3.293) 4.148 12.975 ( -8.262 -4.487 -2.920) 9.845 13.218 ( 2.918 2.591 6.257) 7.374 13.344 ( 4.882 -2.656 4.283) 7.017 13.538 ( -0.956 3.538 6.290) 7.280 13.651 ( 2.922 2.830 1.178) 4.235 13.669 ( -1.903 -0.400 0.132) 1.949 13.715 ( -0.711 1.921 -7.435) 7.712 13.764 ( 3.091 -1.407 -3.210) 4.673 13.823 ( 0.230 2.593 -6.275) 6.793 13.929 ( 3.685 -3.051 1.361) 4.974 14.046 ( -2.860 -6.550 -4.489) 8.440 14.205 ( 3.435 1.812 1.141) 4.047 14.277 ( -1.664 0.733 0.533) 1.894 14.342 ( 2.373 1.416 0.376) 2.789 14.485 ( -0.946 -2.215 2.253) 3.298 14.588 ( 7.880 3.141 3.492) 9.174 14.644 ( 2.593 1.741 10.196) 10.664 14.705 ( 8.504 -1.210 6.377) 10.698 14.776 ( 0.280 -3.197 1.215) 3.432 14.915 ( -4.012 1.311 0.865) 4.308 15.029 ( 0.411 -1.339 3.685) 3.942 15.045 ( 1.272 2.829 -0.667) 3.173 15.114 ( 0.467 1.475 -4.243) 4.516 15.165 ( 3.235 -0.482 -5.965) 6.803 15.233 ( 1.336 -1.131 -0.479) 1.815 15.252 ( 3.272 0.681 2.212) 4.007 15.387 ( 2.528 -3.892 2.630) 5.335 15.493 ( 5.570 0.210 -2.381) 6.061 15.513 ( 5.671 -0.314 -4.153) 7.036 15.621 ( 4.682 2.407 -3.378) 6.255 15.686 ( 6.157 -0.071 -2.275) 6.564 15.696 ( 6.345 -0.284 -3.127) 7.079 15.701 ( 4.457 -0.566 -6.519) 7.917 16.545 ( 6.090 1.002 2.002) 6.488 16.614 ( 5.082 -2.017 -3.631) 6.564 16.820 ( 3.153 5.319 -2.042) 6.511 17.020 ( 4.548 -2.561 -4.478) 6.878 17.496 ( -3.896 3.286 4.000) 6.479 17.707 ( -5.196 -4.389 6.024) 9.086 17.883 ( -5.068 5.375 -0.420) 7.400 18.172 ( -6.062 -5.050 -5.288) 9.498 ======================= Grid point 191 (68/75) ======================= q-point: ( 0.25 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.435 ( -0.870 0.091 4.595) 4.677 2.486 ( -0.735 -2.602 13.313) 13.584 2.617 ( -2.916 2.178 6.077) 7.084 2.654 ( 0.341 2.006 13.363) 13.517 3.169 ( -10.527 0.325 -6.100) 12.171 3.276 ( 1.610 -4.390 -19.998) 20.538 3.630 ( 1.652 0.792 -5.158) 5.474 3.679 ( -6.796 -2.185 0.458) 7.153 3.973 ( 4.109 -0.366 6.978) 8.107 4.050 ( 10.075 1.644 14.275) 17.549 4.158 ( 8.777 -1.288 17.387) 19.519 4.200 ( 3.198 7.307 2.863) 8.474 4.268 ( 4.232 5.144 9.487) 11.592 4.339 ( 3.669 3.269 5.315) 7.239 4.455 ( 2.347 -6.081 -1.370) 6.661 4.752 ( 3.080 -6.756 3.217) 8.092 4.979 ( -6.237 5.319 6.838) 10.675 5.062 ( 1.182 5.217 -18.332) 19.096 5.140 ( 9.994 0.031 -24.346) 26.318 5.210 ( -4.517 -1.125 -7.742) 9.034 5.359 ( 9.879 -0.327 -13.455) 16.696 5.768 ( -10.800 -14.409 -0.700) 18.021 6.204 ( 5.504 1.445 26.950) 27.544 6.242 ( 5.851 -0.492 27.397) 28.019 6.349 ( -13.950 0.656 19.842) 24.264 6.375 ( -17.634 -0.364 14.422) 22.783 6.511 ( 3.643 8.450 15.138) 17.715 6.758 ( 1.223 -2.309 7.360) 7.810 6.881 ( -10.194 0.231 -15.183) 18.289 6.890 ( -12.013 0.009 -16.085) 20.076 7.428 ( 16.856 1.297 -49.781) 52.573 7.513 ( 14.661 -1.601 -42.142) 44.648 9.279 ( -36.694 0.093 21.765) 42.663 9.286 ( -35.712 -0.136 21.248) 41.555 9.644 ( -26.900 0.102 -12.140) 29.512 9.651 ( -27.531 -0.130 -12.786) 30.356 11.965 ( -2.489 3.402 -0.698) 4.273 12.183 ( -2.512 -4.447 -0.980) 5.201 12.300 ( -2.988 4.167 1.857) 5.454 12.420 ( 2.682 1.591 -0.567) 3.170 12.496 ( -3.851 2.090 -3.127) 5.383 12.647 ( 0.642 -3.577 -1.527) 3.941 12.742 ( -6.898 -1.561 2.631) 7.546 12.868 ( -1.342 -4.725 -2.973) 5.741 13.233 ( -1.316 3.270 6.864) 7.716 13.369 ( -3.016 -2.417 5.628) 6.827 13.496 ( -2.765 3.260 6.883) 8.103 13.626 ( -0.912 -1.338 1.631) 2.299 13.697 ( -0.554 2.506 -2.252) 3.414 13.748 ( 5.222 4.228 -2.270) 7.092 13.827 ( 3.177 -1.962 -3.890) 5.392 13.884 ( 5.040 1.159 -5.921) 7.861 14.004 ( 3.670 -2.841 -2.751) 5.395 14.018 ( -1.624 -5.115 0.722) 5.415 14.202 ( -3.079 2.666 0.603) 4.117 14.321 ( 4.721 -0.388 2.998) 5.606 14.393 ( -0.652 0.002 4.828) 4.872 14.461 ( 4.277 -1.798 -0.499) 4.666 14.669 ( 0.438 0.793 8.385) 8.434 14.717 ( 0.515 4.090 2.316) 4.729 14.779 ( 0.342 -4.680 0.952) 4.788 14.882 ( 5.565 -1.857 4.120) 7.169 14.925 ( 6.425 1.337 3.584) 7.477 15.034 ( 0.968 -2.279 3.651) 4.411 15.062 ( 1.525 4.642 -0.949) 4.977 15.148 ( 2.665 0.407 -3.888) 4.731 15.256 ( 4.829 0.815 -2.349) 5.431 15.295 ( 5.768 -0.767 -4.858) 7.580 15.354 ( 5.717 0.865 3.965) 7.011 15.467 ( 4.559 -3.281 4.832) 7.409 15.596 ( 3.937 0.231 0.710) 4.007 15.628 ( 5.090 -1.182 -2.533) 5.807 15.727 ( 4.942 2.605 -5.519) 7.853 15.795 ( 4.964 -0.418 -6.450) 8.149 15.816 ( 6.465 0.520 -4.528) 7.910 15.844 ( 6.696 -0.504 -5.759) 8.846 16.719 ( 10.508 0.447 1.466) 10.619 16.763 ( 9.285 -1.762 -1.586) 9.583 16.930 ( 7.742 5.619 -2.838) 9.978 17.153 ( 8.267 -3.047 -3.656) 9.540 17.394 ( -5.861 2.529 2.495) 6.853 17.568 ( -8.025 -3.878 3.721) 9.659 17.741 ( -8.654 5.194 -0.258) 10.096 18.009 ( -9.606 -4.546 -2.941) 11.027 ======================= Grid point 192 (69/75) ======================= q-point: ( 0.38 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 144 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 2.646 -0.485 0.103) 2.692 2.485 ( 0.556 -1.701 1.980) 2.669 2.580 ( -0.011 1.691 0.749) 1.850 2.728 ( 2.060 -4.679 10.656) 11.819 3.029 ( 2.288 7.262 6.996) 10.340 3.371 ( 6.906 -8.542 -8.726) 14.028 3.557 ( -5.662 -2.172 -0.976) 6.143 3.700 ( 2.509 -6.129 -3.628) 7.551 3.861 ( -9.389 7.401 2.793) 12.277 4.096 ( -10.968 6.996 -2.200) 13.194 4.171 ( 4.239 9.040 1.370) 10.078 4.294 ( 1.072 2.908 0.387) 3.123 4.351 ( -0.624 -4.732 4.264) 6.400 4.496 ( 13.163 -1.292 15.060) 20.043 4.622 ( 5.298 -2.061 2.742) 6.311 4.713 ( -2.575 8.483 5.765) 10.575 4.894 ( -5.546 -6.077 2.465) 8.588 5.011 ( 9.735 4.213 12.005) 16.020 5.195 ( 6.001 -3.098 8.226) 10.643 5.433 ( -9.454 -10.090 -6.988) 15.493 5.585 ( 15.218 1.394 -28.723) 32.536 5.697 ( 18.278 -2.774 -26.548) 32.351 5.877 ( -22.686 1.122 21.228) 31.090 5.945 ( -19.435 -1.947 17.979) 26.547 6.240 ( -4.026 3.132 0.138) 5.103 6.315 ( -2.788 0.245 -1.714) 3.282 6.576 ( -14.193 0.823 -20.319) 24.799 6.594 ( -15.557 0.799 -21.483) 26.536 6.930 ( 30.237 2.561 41.238) 51.200 7.062 ( 23.523 -1.937 32.611) 40.256 7.830 ( 21.454 0.542 -39.139) 44.637 7.863 ( 17.632 -0.603 -33.961) 38.271 8.492 ( -38.544 0.655 26.778) 46.938 8.534 ( -35.064 -0.809 24.353) 42.699 9.042 ( -31.370 0.185 -21.533) 38.050 9.054 ( -30.145 -0.227 -20.410) 36.405 11.956 ( 1.739 3.386 -1.195) 3.990 12.164 ( -3.117 -0.354 -0.833) 3.246 12.194 ( -2.192 -0.411 -0.812) 2.374 12.422 ( -5.139 -4.947 0.013) 7.133 12.487 ( 2.760 2.901 -1.401) 4.242 12.587 ( -2.382 2.084 -0.963) 3.308 12.731 ( 3.638 -1.839 -1.396) 4.309 12.849 ( -1.324 -3.818 -2.024) 4.520 13.184 ( -2.723 3.500 4.481) 6.304 13.249 ( -6.663 1.798 1.610) 7.087 13.477 ( 0.693 0.158 7.169) 7.204 13.590 ( -3.180 -2.904 2.250) 4.859 13.696 ( 1.181 3.569 0.609) 3.808 13.855 ( 0.624 0.856 2.522) 2.735 13.897 ( 5.005 -0.488 -1.671) 5.299 13.923 ( -2.879 0.140 -0.920) 3.026 14.007 ( 6.452 1.669 -2.307) 7.053 14.096 ( 4.591 -2.343 0.460) 5.175 14.215 ( 1.421 -2.301 0.658) 2.783 14.242 ( -5.080 -2.447 1.306) 5.787 14.441 ( 0.203 2.487 2.341) 3.421 14.564 ( -5.285 0.507 0.313) 5.319 14.591 ( 2.589 -0.298 1.802) 3.168 14.732 ( 2.690 -2.695 3.719) 5.323 14.859 ( 2.452 -1.465 4.095) 4.993 14.894 ( 1.254 -1.917 1.453) 2.712 15.022 ( 1.996 0.878 5.759) 6.158 15.072 ( 1.042 -1.345 4.082) 4.422 15.132 ( 4.381 4.875 -2.871) 7.155 15.196 ( 1.336 1.895 -3.873) 4.514 15.377 ( 6.040 0.674 -1.223) 6.199 15.433 ( 7.118 -1.067 -3.509) 8.007 15.469 ( 5.835 0.040 4.404) 7.311 15.526 ( 0.875 -2.344 4.006) 4.723 15.639 ( 0.096 0.390 4.725) 4.742 15.675 ( -0.657 -1.330 2.451) 2.865 15.831 ( 5.158 1.749 -6.127) 8.198 15.881 ( 3.185 -0.610 -5.966) 6.790 15.932 ( 4.509 1.072 -7.579) 8.884 15.954 ( 3.800 0.040 -8.337) 9.162 16.938 ( 10.482 0.258 0.539) 10.499 16.970 ( 10.689 -1.411 -0.636) 10.801 17.116 ( 10.186 5.336 -2.377) 11.742 17.269 ( -6.445 1.581 0.982) 6.708 17.311 ( 2.568 -2.455 -2.301) 4.233 17.427 ( -1.310 -3.874 1.153) 4.249 17.546 ( -10.383 5.086 -0.428) 11.570 17.801 ( -10.717 -4.193 -1.355) 11.588 ======================= Grid point 193 (70/75) ======================= q-point: (-0.50 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( -0.518 0.131 -0.886) 1.035 2.493 ( 0.518 0.131 -0.886) 1.035 2.645 ( -6.091 -1.909 0.260) 6.388 2.645 ( 6.091 -1.909 0.260) 6.388 3.310 ( -18.654 0.139 10.661) 21.486 3.310 ( 18.654 0.139 10.661) 21.486 3.544 ( -9.987 -7.106 3.653) 12.790 3.544 ( 9.987 -7.106 3.653) 12.790 3.902 ( -7.273 6.220 -8.637) 12.891 3.902 ( 7.273 6.220 -8.637) 12.891 4.293 ( -4.317 12.970 -3.526) 14.117 4.293 ( 4.317 12.970 -3.526) 14.117 4.365 ( -7.815 -2.163 -0.176) 8.111 4.365 ( 7.815 -2.163 -0.176) 8.111 4.744 ( -6.676 -1.929 5.813) 9.060 4.744 ( 6.676 -1.929 5.813) 9.060 5.007 ( -17.896 -6.678 1.590) 19.167 5.007 ( 17.896 -6.678 1.590) 19.167 5.383 ( -21.779 1.370 25.909) 33.874 5.383 ( 21.779 1.370 25.909) 33.874 5.534 ( -15.859 -2.898 16.099) 22.784 5.534 ( 15.859 -2.898 16.099) 22.784 5.981 ( -12.318 0.062 -26.156) 28.911 5.981 ( 12.318 0.062 -26.156) 28.911 6.162 ( -12.237 -1.128 -28.325) 30.876 6.162 ( 12.237 -1.128 -28.325) 30.876 6.392 ( -1.982 2.864 -5.670) 6.655 6.392 ( 1.982 2.864 -5.670) 6.655 7.623 ( -35.138 0.552 34.142) 48.996 7.623 ( 35.138 0.552 34.142) 48.996 7.659 ( -31.054 -0.468 30.217) 43.332 7.659 ( 31.054 -0.468 30.217) 43.332 8.425 ( -24.078 0.384 -29.079) 37.756 8.425 ( 24.078 0.384 -29.079) 37.756 8.481 ( -21.276 -0.549 -25.983) 33.587 8.481 ( 21.276 -0.549 -25.983) 33.587 12.034 ( -5.803 3.552 -1.100) 6.892 12.034 ( 5.803 3.552 -1.100) 6.892 12.278 ( -6.803 -5.290 -0.853) 8.660 12.278 ( 6.803 -5.290 -0.853) 8.660 12.553 ( -2.617 2.819 -0.927) 3.957 12.553 ( 2.617 2.819 -0.927) 3.957 12.805 ( -3.112 -2.643 -1.714) 4.428 12.805 ( 3.112 -2.643 -1.714) 4.428 13.161 ( -1.378 3.511 1.936) 4.240 13.161 ( 1.378 3.511 1.936) 4.240 13.518 ( -3.218 -2.216 3.823) 5.466 13.518 ( 3.218 -2.216 3.823) 5.466 13.757 ( -4.879 3.673 1.963) 6.415 13.757 ( 4.879 3.673 1.963) 6.415 13.961 ( -1.248 -3.433 1.042) 3.799 13.961 ( 1.248 -3.433 1.042) 3.799 14.104 ( -2.862 1.924 1.859) 3.918 14.104 ( 2.862 1.924 1.859) 3.918 14.219 ( -2.401 -2.496 -0.628) 3.520 14.219 ( 2.401 -2.496 -0.628) 3.520 14.445 ( -2.756 3.011 0.571) 4.122 14.445 ( 2.756 3.011 0.571) 4.122 14.684 ( -4.988 -4.915 0.591) 7.028 14.684 ( 4.988 -4.915 0.591) 7.028 14.922 ( -2.457 0.604 4.745) 5.377 14.922 ( 2.457 0.604 4.745) 5.377 15.055 ( -2.148 -0.854 4.274) 4.859 15.055 ( 2.148 -0.854 4.274) 4.859 15.193 ( -1.587 3.518 -3.681) 5.333 15.193 ( 1.587 3.518 -3.681) 5.333 15.468 ( -3.071 -0.982 -2.979) 4.390 15.468 ( 3.071 -0.982 -2.979) 4.390 15.575 ( -1.873 -0.676 4.066) 4.528 15.575 ( 1.873 -0.676 4.066) 4.528 15.618 ( -2.794 -0.136 6.107) 6.717 15.618 ( 2.794 -0.136 6.107) 6.717 15.903 ( -1.378 0.215 -5.876) 6.040 15.903 ( 1.378 0.215 -5.876) 6.040 15.986 ( -0.663 0.703 -8.634) 8.688 15.986 ( 0.663 0.703 -8.634) 8.688 17.124 ( -7.465 0.431 -0.183) 7.480 17.124 ( 7.465 0.431 -0.183) 7.480 17.180 ( -9.083 -1.411 -0.050) 9.192 17.180 ( 9.083 -1.411 -0.050) 9.192 17.330 ( -10.748 5.218 -1.235) 12.011 17.330 ( 10.748 5.218 -1.235) 12.011 17.584 ( -10.511 -4.095 -1.040) 11.329 17.584 ( 10.511 -4.095 -1.040) 11.329 ======================= Grid point 198 (71/75) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.588 ( 0.000 -4.955 7.427) 8.928 2.588 ( 0.000 4.955 7.427) 8.928 2.692 ( 0.000 -4.986 20.970) 21.555 2.692 ( 0.000 4.986 20.970) 21.555 3.310 ( 0.000 -3.692 -19.054) 19.409 3.310 ( 0.000 3.692 -19.054) 19.409 3.634 ( 0.000 -2.681 25.438) 25.579 3.634 ( 0.000 2.681 25.438) 25.579 3.902 ( 0.000 -3.431 -0.940) 3.558 3.902 ( 0.000 3.431 -0.940) 3.558 4.041 ( 0.000 -9.416 8.720) 12.834 4.041 ( 0.000 9.416 8.720) 12.834 4.241 ( 0.000 -6.746 1.584) 6.929 4.241 ( 0.000 6.746 1.584) 6.929 4.492 ( 0.000 -7.723 -8.983) 11.846 4.492 ( 0.000 7.723 -8.983) 11.846 4.744 ( 0.000 -2.665 -30.621) 30.737 4.744 ( 0.000 2.665 -30.621) 30.737 5.460 ( 0.000 -2.621 2.454) 3.590 5.460 ( 0.000 2.621 2.454) 3.590 5.489 ( 0.000 -14.190 20.481) 24.916 5.489 ( 0.000 14.190 20.481) 24.916 5.992 ( 0.000 -1.374 30.299) 30.330 5.992 ( 0.000 1.374 30.299) 30.330 6.725 ( 0.000 -3.978 -8.429) 9.321 6.725 ( 0.000 3.978 -8.429) 9.321 6.832 ( 0.000 -0.139 -1.191) 1.199 6.832 ( 0.000 0.139 -1.191) 1.199 7.120 ( 0.000 -1.856 -20.976) 21.058 7.120 ( 0.000 1.856 -20.976) 21.058 7.174 ( 0.000 -1.918 -25.090) 25.164 7.174 ( 0.000 1.918 -25.090) 25.164 10.154 ( 0.000 -0.498 5.951) 5.972 10.154 ( 0.000 0.498 5.951) 5.972 10.250 ( 0.000 -0.290 4.757) 4.766 10.250 ( 0.000 0.290 4.757) 4.766 12.197 ( 0.000 -4.820 1.859) 5.166 12.197 ( 0.000 4.820 1.859) 5.166 12.389 ( 0.000 -4.496 1.236) 4.663 12.389 ( 0.000 4.496 1.236) 4.663 12.575 ( 0.000 -1.074 0.088) 1.077 12.575 ( 0.000 1.074 0.088) 1.077 12.960 ( 0.000 -6.334 -3.991) 7.486 12.960 ( 0.000 6.334 -3.991) 7.486 13.203 ( 0.000 -1.939 5.140) 5.494 13.203 ( 0.000 1.939 5.140) 5.494 13.659 ( 0.000 -2.671 3.140) 4.122 13.659 ( 0.000 2.671 3.140) 4.122 13.717 ( 0.000 -6.937 7.072) 9.906 13.717 ( 0.000 6.937 7.072) 9.906 13.728 ( 0.000 -0.558 -8.368) 8.386 13.728 ( 0.000 0.558 -8.368) 8.386 13.960 ( 0.000 -5.175 -8.189) 9.687 13.960 ( 0.000 5.175 -8.189) 9.687 14.221 ( 0.000 -2.468 0.076) 2.469 14.221 ( 0.000 2.468 0.076) 2.469 14.450 ( 0.000 -1.165 2.701) 2.941 14.450 ( 0.000 1.165 2.701) 2.941 14.511 ( 0.000 -6.217 2.337) 6.642 14.511 ( 0.000 6.217 2.337) 6.642 14.706 ( 0.000 -2.866 8.162) 8.650 14.706 ( 0.000 2.866 8.162) 8.651 15.014 ( 0.000 -0.229 3.084) 3.092 15.014 ( 0.000 0.229 3.084) 3.092 15.119 ( 0.000 -1.181 -2.941) 3.169 15.119 ( 0.000 1.181 -2.941) 3.169 15.122 ( 0.000 -6.229 -4.321) 7.581 15.122 ( 0.000 6.229 -4.321) 7.581 15.294 ( 0.000 -3.544 1.082) 3.705 15.294 ( 0.000 3.544 1.082) 3.705 15.417 ( 0.000 -0.350 -2.160) 2.188 15.417 ( 0.000 0.350 -2.160) 2.188 15.613 ( 0.000 -0.411 -4.304) 4.323 15.613 ( 0.000 0.411 -4.304) 4.323 15.627 ( 0.000 -2.041 -2.601) 3.306 15.627 ( 0.000 2.041 -2.601) 3.306 16.520 ( 0.000 -1.875 -0.859) 2.063 16.520 ( 0.000 1.876 -0.859) 2.063 16.900 ( 0.000 -4.341 -3.510) 5.583 16.900 ( 0.000 4.341 -3.510) 5.583 17.644 ( 0.000 -5.503 6.115) 8.226 17.644 ( 0.000 5.503 6.115) 8.227 18.086 ( 0.000 -7.413 -3.790) 8.326 18.086 ( 0.000 7.413 -3.790) 8.326 ======================= Grid point 200 (72/75) ======================= q-point: ( 0.12 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.523 ( -4.754 -2.137 9.114) 10.499 2.523 ( -4.754 2.137 9.114) 10.499 2.692 ( -0.824 -1.940 15.517) 15.660 2.692 ( -0.824 1.940 15.517) 15.660 3.268 ( -3.515 -2.889 -16.861) 17.464 3.268 ( -3.515 2.889 -16.861) 17.464 3.734 ( 4.274 -1.126 16.311) 16.899 3.734 ( 4.274 1.126 16.311) 16.899 3.803 ( -1.157 -3.933 8.907) 9.805 3.803 ( -1.157 3.933 8.907) 9.805 4.134 ( 5.062 -5.175 4.286) 8.413 4.134 ( 5.062 5.175 4.286) 8.413 4.300 ( 5.830 -5.829 4.867) 9.574 4.300 ( 5.830 5.829 4.867) 9.574 4.459 ( -1.864 -8.023 -8.443) 11.795 4.459 ( -1.864 8.023 -8.443) 11.795 4.870 ( 10.824 -3.196 -30.727) 32.734 4.870 ( 10.824 3.196 -30.727) 32.734 5.341 ( -8.783 -5.207 7.919) 12.921 5.341 ( -8.783 5.207 7.919) 12.921 5.524 ( -0.194 -13.475 6.040) 14.769 5.524 ( -0.194 13.475 6.040) 14.769 6.046 ( 6.183 -1.048 37.030) 37.558 6.046 ( 6.183 1.048 37.030) 37.558 6.678 ( -8.418 -2.697 0.807) 8.876 6.678 ( -8.418 2.697 0.807) 8.876 6.722 ( -6.513 -2.389 0.253) 6.942 6.722 ( -6.513 2.389 0.253) 6.942 7.073 ( -6.108 -0.474 -8.509) 10.485 7.073 ( -6.108 0.474 -8.509) 10.485 7.231 ( 7.314 -3.236 -46.050) 46.739 7.231 ( 7.314 3.236 -46.050) 46.739 9.901 ( -23.265 -0.235 13.544) 26.921 9.901 ( -23.265 0.235 13.544) 26.921 10.094 ( -15.706 -0.352 -3.237) 16.040 10.094 ( -15.706 0.352 -3.237) 16.040 12.143 ( -4.208 -5.241 0.574) 6.746 12.143 ( -4.208 5.241 0.574) 6.746 12.407 ( 0.970 -2.714 1.211) 3.126 12.407 ( 0.970 2.714 1.211) 3.126 12.574 ( -0.075 -0.908 -0.240) 0.942 12.574 ( -0.075 0.908 -0.240) 0.942 12.862 ( -6.727 -4.638 -2.056) 8.426 12.862 ( -6.727 4.638 -2.056) 8.426 13.281 ( 4.083 -2.890 5.363) 7.334 13.281 ( 4.083 2.890 5.363) 7.334 13.616 ( -2.572 -3.049 5.018) 6.410 13.616 ( -2.572 3.049 5.018) 6.410 13.725 ( 2.703 -2.113 -2.917) 4.503 13.725 ( 2.703 2.113 -2.917) 4.503 13.806 ( 3.570 -5.598 -2.786) 7.201 13.806 ( 3.570 5.598 -2.786) 7.201 13.918 ( -2.124 -4.179 -5.514) 7.237 13.918 ( -2.124 4.179 -5.514) 7.237 14.251 ( 2.500 -2.082 0.777) 3.345 14.251 ( 2.500 2.082 0.777) 3.345 14.415 ( -1.348 -3.852 0.996) 4.201 14.415 ( -1.348 3.852 0.996) 4.201 14.650 ( 8.135 -2.078 4.338) 9.451 14.650 ( 8.135 2.078 4.338) 9.451 14.707 ( 1.820 -2.333 8.002) 8.531 14.707 ( 1.820 2.333 8.002) 8.531 14.978 ( -3.152 -3.243 1.035) 4.639 14.978 ( -3.152 3.243 1.035) 4.639 15.095 ( 1.355 -2.131 -4.016) 4.744 15.095 ( 1.355 2.131 -4.016) 4.744 15.193 ( 3.462 -1.987 -2.522) 4.721 15.193 ( 3.462 1.987 -2.522) 4.721 15.303 ( 2.633 -3.359 3.440) 5.482 15.303 ( 2.633 3.359 3.440) 5.482 15.501 ( 5.733 -0.561 -3.649) 6.819 15.501 ( 5.733 0.561 -3.649) 6.819 15.670 ( 4.578 -1.676 -3.865) 6.221 15.670 ( 4.578 1.676 -3.865) 6.221 15.692 ( 6.180 -0.301 -3.582) 7.149 15.692 ( 6.180 0.301 -3.582) 7.149 16.575 ( 5.423 -1.581 -0.434) 5.666 16.575 ( 5.423 1.581 -0.434) 5.666 16.937 ( 3.845 -4.741 -3.502) 7.038 16.937 ( 3.845 4.741 -3.502) 7.038 17.595 ( -4.613 -5.168 5.234) 8.682 17.595 ( -4.613 5.168 5.234) 8.682 18.029 ( -5.475 -7.120 -3.088) 9.497 18.029 ( -5.475 7.120 -3.088) 9.497 ======================= Grid point 202 (73/75) ======================= q-point: ( 0.25 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 109 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.445 ( -2.065 -1.030 6.216) 6.630 2.445 ( -2.065 1.030 6.216) 6.630 2.662 ( -1.539 -1.295 9.575) 9.784 2.662 ( -1.539 1.295 9.575) 9.784 3.197 ( -2.860 -2.476 -9.251) 9.994 3.197 ( -2.860 2.476 -9.251) 9.994 3.636 ( -4.911 -1.018 -2.848) 5.768 3.636 ( -4.911 1.018 -2.848) 5.768 4.034 ( 13.466 -3.636 18.224) 22.949 4.034 ( 13.466 3.636 18.224) 22.949 4.201 ( 1.847 -5.326 4.810) 7.410 4.201 ( 1.847 5.326 4.810) 7.410 4.365 ( -2.031 -2.253 -1.841) 3.549 4.365 ( -2.031 2.254 -1.841) 3.549 4.519 ( 9.479 -12.031 7.372) 16.998 4.519 ( 9.479 12.031 7.372) 16.998 5.092 ( -0.484 -3.902 -13.342) 13.909 5.092 ( -0.483 3.902 -13.342) 13.909 5.183 ( 4.175 -3.157 -10.081) 11.359 5.183 ( 4.175 3.157 -10.081) 11.359 5.458 ( -4.459 -11.053 -5.710) 13.216 5.458 ( -4.459 11.053 -5.710) 13.216 6.229 ( 6.926 -0.775 29.888) 30.689 6.229 ( 6.926 0.775 29.888) 30.689 6.364 ( -17.193 -0.624 15.895) 23.423 6.364 ( -17.193 0.624 15.895) 23.423 6.672 ( 2.242 -5.488 10.292) 11.877 6.672 ( 2.242 5.488 10.292) 11.877 6.888 ( -11.435 -0.248 -16.157) 19.796 6.888 ( -11.435 0.248 -16.157) 19.796 7.468 ( 15.831 -2.130 -46.062) 48.753 7.468 ( 15.831 2.130 -46.062) 48.753 9.282 ( -36.222 -0.163 21.500) 42.123 9.282 ( -36.222 0.163 21.500) 42.123 9.647 ( -27.216 -0.166 -12.465) 29.935 9.647 ( -27.216 0.166 -12.465) 29.935 12.067 ( -2.561 -5.338 -0.831) 5.979 12.067 ( -2.561 5.338 -0.831) 5.979 12.403 ( -2.148 -3.773 0.862) 4.426 12.403 ( -2.148 3.773 0.862) 4.426 12.558 ( -1.347 -3.744 -1.170) 4.147 12.558 ( -1.347 3.744 -1.170) 4.147 12.761 ( -2.246 -3.733 -1.552) 4.625 12.761 ( -2.246 3.733 -1.552) 4.625 13.307 ( -1.336 -3.111 6.631) 7.445 13.307 ( -1.336 3.111 6.631) 7.445 13.573 ( -2.392 -3.191 4.918) 6.332 13.573 ( -2.392 3.191 4.918) 6.332 13.766 ( 0.951 -3.170 -3.980) 5.176 13.766 ( 0.951 3.170 -3.980) 5.176 13.872 ( 3.682 -5.928 -1.644) 7.169 13.872 ( 3.682 5.928 -1.644) 7.169 13.938 ( 3.932 -2.283 -3.701) 5.862 13.938 ( 3.932 2.283 -3.701) 5.862 14.275 ( -3.414 -3.281 2.052) 5.160 14.275 ( -3.414 3.281 2.051) 5.160 14.417 ( 4.649 -1.835 1.421) 5.196 14.417 ( 4.649 1.835 1.421) 5.196 14.701 ( -0.129 -2.262 5.401) 5.857 14.701 ( -0.129 2.262 5.401) 5.857 14.816 ( 2.428 -4.056 3.330) 5.783 14.816 ( 2.428 4.056 3.330) 5.783 14.972 ( 4.183 -2.736 3.499) 6.101 14.972 ( 4.183 2.736 3.499) 6.101 15.133 ( 2.572 -1.765 -2.832) 4.213 15.133 ( 2.572 1.765 -2.832) 4.213 15.281 ( 5.478 -0.883 -2.890) 6.256 15.281 ( 5.478 0.883 -2.890) 6.256 15.394 ( 5.221 -2.842 3.224) 6.762 15.394 ( 5.221 2.842 3.224) 6.762 15.605 ( 4.135 -0.747 -0.143) 4.204 15.605 ( 4.135 0.747 -0.143) 4.204 15.775 ( 4.953 -1.517 -6.154) 8.044 15.775 ( 4.953 1.517 -6.154) 8.044 15.830 ( 6.945 -0.675 -5.131) 8.661 15.830 ( 6.945 0.675 -5.131) 8.662 16.734 ( 9.891 -0.935 0.138) 9.936 16.734 ( 9.891 0.935 0.138) 9.936 17.058 ( 7.893 -5.307 -3.276) 10.060 17.058 ( 7.893 5.308 -3.276) 10.060 17.473 ( -7.064 -4.252 3.259) 8.866 17.473 ( -7.064 4.252 3.259) 8.866 17.878 ( -9.015 -6.565 -1.763) 11.291 17.878 ( -9.015 6.565 -1.763) 11.291 ======================= Grid point 204 (74/75) ======================= q-point: ( 0.38 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 2.417 -0.676 1.475) 2.911 2.453 ( 2.417 0.676 1.475) 2.911 2.639 ( -1.034 -3.394 3.837) 5.226 2.639 ( -1.034 3.394 3.837) 5.226 3.192 ( 3.823 -7.464 0.220) 8.389 3.192 ( 3.823 7.464 0.220) 8.389 3.566 ( -4.027 -3.538 -1.057) 5.464 3.566 ( -4.027 3.538 -1.057) 5.464 4.093 ( -5.191 -10.237 0.527) 11.490 4.093 ( -5.191 10.237 0.527) 11.490 4.265 ( 0.060 -3.867 2.380) 4.541 4.265 ( 0.060 3.867 2.380) 4.541 4.412 ( 10.379 -6.996 2.902) 12.849 4.412 ( 10.379 6.996 2.902) 12.849 4.684 ( 3.197 -7.567 10.429) 13.276 4.684 ( 3.197 7.567 10.429) 13.276 4.989 ( -3.774 -9.126 7.162) 12.199 4.989 ( -3.774 9.126 7.162) 12.199 5.205 ( -1.054 -7.120 -0.247) 7.202 5.205 ( -1.054 7.121 -0.247) 7.202 5.633 ( 18.308 -2.695 -29.364) 34.709 5.633 ( 18.307 2.695 -29.364) 34.709 5.907 ( -21.298 -1.472 20.015) 29.264 5.907 ( -21.298 1.472 20.015) 29.264 6.298 ( -4.171 -1.792 -1.715) 4.853 6.298 ( -4.171 1.792 -1.715) 4.853 6.596 ( -13.607 -0.600 -18.922) 23.315 6.596 ( -13.607 0.601 -18.922) 23.315 7.001 ( 26.104 -3.319 35.884) 44.498 7.001 ( 26.104 3.319 35.884) 44.499 7.846 ( 19.645 -0.834 -36.634) 41.577 7.846 ( 19.645 0.834 -36.634) 41.577 8.512 ( -36.874 -1.038 25.582) 44.891 8.512 ( -36.874 1.038 25.582) 44.891 9.048 ( -30.767 -0.292 -20.976) 37.239 9.048 ( -30.767 0.292 -20.976) 37.239 12.058 ( 1.881 -5.401 -1.270) 5.858 12.058 ( 1.881 5.401 -1.270) 5.858 12.295 ( -7.577 -5.841 -0.132) 9.568 12.295 ( -7.577 5.841 -0.132) 9.568 12.567 ( 2.103 -3.543 -1.579) 4.413 12.567 ( 2.103 3.543 -1.579) 4.413 12.754 ( 0.534 -3.875 -1.249) 4.106 12.754 ( 0.534 3.875 -1.249) 4.106 13.253 ( -3.144 -1.887 4.050) 5.464 13.253 ( -3.144 1.887 4.050) 5.464 13.514 ( -2.832 -3.193 3.849) 5.747 13.514 ( -2.832 3.193 3.849) 5.747 13.792 ( 2.151 -4.554 0.064) 5.037 13.792 ( 2.151 4.554 0.064) 5.037 13.925 ( -0.240 -1.478 0.813) 1.704 13.925 ( -0.240 1.478 0.813) 1.704 14.046 ( 6.286 -1.896 -1.509) 6.737 14.046 ( 6.286 1.896 -1.509) 6.737 14.192 ( -2.081 -1.031 0.532) 2.383 14.192 ( -2.081 1.031 0.532) 2.383 14.504 ( 1.103 -3.078 0.823) 3.371 14.504 ( 1.103 3.078 0.823) 3.371 14.659 ( -3.574 -3.573 2.858) 5.806 14.659 ( -3.574 3.573 2.858) 5.806 14.857 ( 4.085 -1.110 3.287) 5.360 14.857 ( 4.085 1.110 3.287) 5.359 15.044 ( 1.402 -1.145 4.902) 5.225 15.044 ( 1.402 1.145 4.902) 5.225 15.207 ( 3.400 -1.410 -2.840) 4.650 15.207 ( 3.400 1.410 -2.840) 4.650 15.405 ( 5.776 -1.517 -3.006) 6.685 15.405 ( 5.776 1.517 -3.006) 6.685 15.480 ( 3.651 -1.326 3.556) 5.266 15.480 ( 3.651 1.326 3.556) 5.266 15.650 ( 0.001 -0.777 4.216) 4.287 15.650 ( 0.001 0.777 4.216) 4.287 15.864 ( 3.691 -1.080 -6.123) 7.231 15.864 ( 3.691 1.080 -6.123) 7.231 15.950 ( 4.442 -0.472 -7.745) 8.941 15.950 ( 4.442 0.472 -7.745) 8.941 16.948 ( 10.597 -0.647 0.015) 10.617 16.948 ( 10.597 0.647 0.015) 10.617 17.237 ( 8.203 -4.583 -2.700) 9.777 17.237 ( 8.203 4.583 -2.700) 9.777 17.328 ( -5.842 -3.926 1.621) 7.223 17.328 ( -5.842 3.926 1.621) 7.223 17.678 ( -10.463 -6.225 -1.027) 12.218 17.678 ( -10.463 6.225 -1.027) 12.218 ======================= Grid point 206 (75/75) ======================= q-point: (-0.50 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.495 ( 0.000 0.000 -0.899) 0.899 2.495 ( -0.000 0.000 -0.899) 0.899 2.619 ( 0.000 0.000 1.253) 1.253 2.619 ( 0.000 0.000 1.253) 1.253 3.336 ( -0.000 -0.000 0.336) 0.336 3.336 ( 0.000 -0.000 0.336) 0.336 3.423 ( -0.000 0.000 7.819) 7.819 3.423 ( 0.000 0.000 7.819) 7.819 4.041 ( 0.000 -0.000 -5.942) 5.942 4.041 ( 0.000 0.000 -5.942) 5.942 4.251 ( 0.000 -0.000 2.422) 2.422 4.251 ( 0.000 0.000 2.422) 2.422 4.579 ( 0.000 0.000 -0.407) 0.407 4.579 ( -0.000 0.000 -0.407) 0.407 4.671 ( 0.000 0.000 4.377) 4.377 4.671 ( 0.000 0.000 4.377) 4.377 4.884 ( 0.000 0.000 -1.624) 1.624 4.884 ( 0.000 0.000 -1.624) 1.624 5.406 ( -0.000 -0.000 24.594) 24.594 5.406 ( 0.000 0.000 24.594) 24.594 5.491 ( -0.000 0.000 19.199) 19.199 5.491 ( 0.000 0.000 19.199) 19.199 5.981 ( 0.000 0.000 -26.624) 26.624 5.981 ( -0.000 0.000 -26.624) 26.624 6.150 ( -0.000 0.000 -29.391) 29.391 6.150 ( 0.000 0.000 -29.391) 29.391 6.429 ( 0.000 0.000 -4.585) 4.585 6.429 ( 0.000 0.000 -4.585) 4.585 7.634 ( -0.001 0.000 32.544) 32.544 7.634 ( 0.000 0.000 32.544) 32.544 7.650 ( -0.000 0.000 31.793) 31.793 7.650 ( 0.001 0.000 31.793) 31.793 8.432 ( -0.000 -0.000 -27.889) 27.889 8.432 ( 0.001 0.000 -27.889) 27.889 8.472 ( -0.001 0.000 -27.266) 27.266 8.472 ( 0.000 0.000 -27.266) 27.266 12.127 ( -0.000 -0.000 -1.037) 1.037 12.127 ( 0.000 -0.000 -1.037) 1.037 12.163 ( -0.000 0.000 -0.993) 0.993 12.163 ( 0.000 0.000 -0.993) 0.993 12.599 ( -0.000 -0.000 -1.308) 1.308 12.599 ( 0.000 -0.000 -1.308) 1.308 12.761 ( 0.000 0.000 -1.206) 1.206 12.761 ( 0.000 0.000 -1.206) 1.206 13.215 ( 0.000 0.000 2.401) 2.401 13.215 ( 0.000 0.000 2.401) 2.401 13.482 ( 0.000 -0.000 3.319) 3.319 13.482 ( 0.000 0.000 3.319) 3.319 13.845 ( -0.000 -0.000 2.788) 2.788 13.845 ( -0.000 0.000 2.788) 2.788 13.878 ( -0.000 -0.000 0.713) 0.713 13.878 ( 0.000 0.000 0.713) 0.713 14.144 ( -0.000 0.000 1.879) 1.879 14.144 ( 0.000 0.000 1.879) 1.879 14.173 ( -0.000 -0.000 -1.053) 1.053 14.173 ( 0.000 0.000 -1.053) 1.053 14.498 ( 0.000 -0.000 -0.536) 0.536 14.498 ( 0.000 0.000 -0.536) 0.536 14.605 ( -0.000 -0.000 1.480) 1.480 14.605 ( -0.000 0.000 1.480) 1.480 14.929 ( 0.000 0.000 4.316) 4.316 14.929 ( 0.000 0.000 4.316) 4.316 15.046 ( -0.000 0.000 4.718) 4.718 15.046 ( -0.000 0.000 4.718) 4.718 15.240 ( -0.000 0.000 -3.302) 3.302 15.240 ( 0.000 0.000 -3.302) 3.302 15.453 ( -0.000 0.000 -3.709) 3.709 15.453 ( 0.000 -0.000 -3.709) 3.709 15.564 ( -0.000 0.000 3.371) 3.371 15.564 ( 0.000 0.000 3.372) 3.372 15.616 ( -0.000 0.000 6.922) 6.922 15.616 ( 0.000 0.000 6.922) 6.922 15.906 ( 0.000 0.000 -5.938) 5.938 15.906 ( 0.000 0.000 -5.938) 5.938 15.996 ( 0.000 0.000 -8.344) 8.344 15.996 ( 0.000 0.000 -8.344) 8.344 17.131 ( -0.000 0.000 -0.834) 0.834 17.131 ( 0.000 -0.000 -0.834) 0.834 17.163 ( -0.000 0.000 0.668) 0.668 17.163 ( 0.000 0.000 0.668) 0.668 17.451 ( -0.000 -0.000 -0.088) 0.088 17.451 ( -0.000 0.000 -0.088) 0.088 17.475 ( -0.000 -0.000 -2.150) 2.150 17.475 ( 0.000 0.000 -2.150) 2.150 =================== 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 3/24192 10.0 1108.156 549.903 1120.049 0.000 0.000 0.000 3/24192 20.0 642.670 402.278 577.273 0.000 0.000 0.000 3/24192 30.0 265.274 184.931 264.287 0.000 0.000 0.000 3/24192 40.0 151.553 102.919 157.010 0.000 0.000 0.000 3/24192 50.0 107.640 67.747 113.566 0.000 0.000 0.000 3/24192 60.0 86.722 49.649 92.332 0.000 0.000 0.000 3/24192 70.0 74.883 38.955 80.094 0.000 0.000 0.000 3/24192 80.0 66.972 31.958 71.799 0.000 0.000 0.000 3/24192 90.0 60.908 27.024 65.373 0.000 0.000 0.000 3/24192 100.0 55.843 23.348 59.967 0.000 0.000 0.000 3/24192 110.0 51.430 20.499 55.240 0.000 0.000 0.000 3/24192 120.0 47.522 18.226 51.043 0.000 0.000 0.000 3/24192 130.0 44.044 16.373 47.304 0.000 0.000 0.000 3/24192 140.0 40.946 14.836 43.969 0.000 0.000 0.000 3/24192 150.0 38.184 13.544 40.996 0.000 0.000 0.000 3/24192 160.0 35.720 12.446 38.342 0.000 0.000 0.000 3/24192 170.0 33.518 11.504 35.971 0.000 0.000 0.000 3/24192 180.0 31.547 10.688 33.848 0.000 0.000 0.000 3/24192 190.0 29.776 9.976 31.941 0.000 0.000 0.000 3/24192 200.0 28.181 9.350 30.223 0.000 0.000 0.000 3/24192 210.0 26.740 8.797 28.671 0.000 0.000 0.000 3/24192 220.0 25.433 8.304 27.264 0.000 0.000 0.000 3/24192 230.0 24.244 7.863 25.984 0.000 0.000 0.000 3/24192 240.0 23.158 7.467 24.815 0.000 0.000 0.000 3/24192 250.0 22.164 7.108 23.745 0.000 0.000 0.000 3/24192 260.0 21.250 6.783 22.762 0.000 0.000 0.000 3/24192 270.0 20.408 6.486 21.857 0.000 0.000 0.000 3/24192 280.0 19.630 6.215 21.020 0.000 0.000 0.000 3/24192 290.0 18.909 5.965 20.245 0.000 0.000 0.000 3/24192 300.0 18.238 5.736 19.524 0.000 0.000 0.000 3/24192 310.0 17.614 5.523 18.854 0.000 0.000 0.000 3/24192 320.0 17.032 5.326 18.228 0.000 0.000 0.000 3/24192 330.0 16.487 5.143 17.642 0.000 0.000 0.000 3/24192 340.0 15.976 4.973 17.094 0.000 0.000 0.000 3/24192 350.0 15.496 4.813 16.578 0.000 0.000 0.000 3/24192 360.0 15.044 4.664 16.093 0.000 0.000 0.000 3/24192 370.0 14.618 4.524 15.636 0.000 0.000 0.000 3/24192 380.0 14.215 4.392 15.204 0.000 0.000 0.000 3/24192 390.0 13.835 4.268 14.796 0.000 0.000 0.000 3/24192 400.0 13.474 4.151 14.409 0.000 0.000 0.000 3/24192 410.0 13.132 4.040 14.042 0.000 0.000 0.000 3/24192 420.0 12.808 3.935 13.694 0.000 0.000 0.000 3/24192 430.0 12.499 3.836 13.362 0.000 0.000 0.000 3/24192 440.0 12.204 3.742 13.047 0.000 0.000 0.000 3/24192 450.0 11.924 3.652 12.746 0.000 0.000 0.000 3/24192 460.0 11.656 3.567 12.459 0.000 0.000 0.000 3/24192 470.0 11.400 3.485 12.185 0.000 0.000 0.000 3/24192 480.0 11.155 3.407 11.922 0.000 0.000 0.000 3/24192 490.0 10.920 3.333 11.671 0.000 0.000 0.000 3/24192 500.0 10.696 3.262 11.430 0.000 0.000 0.000 3/24192 510.0 10.480 3.194 11.199 0.000 0.000 0.000 3/24192 520.0 10.273 3.129 10.978 0.000 0.000 0.000 3/24192 530.0 10.074 3.067 10.765 0.000 0.000 0.000 3/24192 540.0 9.883 3.007 10.560 0.000 0.000 0.000 3/24192 550.0 9.699 2.949 10.363 0.000 0.000 0.000 3/24192 560.0 9.522 2.893 10.173 0.000 0.000 0.000 3/24192 570.0 9.351 2.840 9.990 0.000 0.000 0.000 3/24192 580.0 9.186 2.789 9.814 0.000 0.000 0.000 3/24192 590.0 9.027 2.739 9.644 0.000 0.000 0.000 3/24192 600.0 8.874 2.691 9.479 0.000 0.000 0.000 3/24192 610.0 8.725 2.645 9.321 0.000 0.000 0.000 3/24192 620.0 8.582 2.601 9.167 0.000 0.000 0.000 3/24192 630.0 8.443 2.558 9.019 0.000 0.000 0.000 3/24192 640.0 8.309 2.516 8.875 0.000 0.000 0.000 3/24192 650.0 8.179 2.476 8.736 0.000 0.000 0.000 3/24192 660.0 8.053 2.437 8.601 0.000 0.000 0.000 3/24192 670.0 7.930 2.399 8.470 0.000 0.000 0.000 3/24192 680.0 7.812 2.363 8.344 0.000 0.000 0.000 3/24192 690.0 7.697 2.327 8.221 0.000 0.000 0.000 3/24192 700.0 7.585 2.293 8.101 0.000 0.000 0.000 3/24192 710.0 7.477 2.260 7.985 0.000 0.000 0.000 3/24192 720.0 7.372 2.227 7.873 0.000 0.000 0.000 3/24192 730.0 7.269 2.196 7.763 0.000 0.000 0.000 3/24192 740.0 7.170 2.165 7.657 0.000 0.000 0.000 3/24192 750.0 7.073 2.135 7.553 0.000 0.000 0.000 3/24192 760.0 6.978 2.106 7.452 0.000 0.000 0.000 3/24192 770.0 6.887 2.078 7.354 0.000 0.000 0.000 3/24192 780.0 6.797 2.051 7.259 0.000 0.000 0.000 3/24192 790.0 6.710 2.024 7.165 0.000 0.000 0.000 3/24192 800.0 6.625 1.998 7.075 0.000 0.000 0.000 3/24192 810.0 6.543 1.973 6.986 0.000 0.000 0.000 3/24192 820.0 6.462 1.948 6.900 0.000 0.000 0.000 3/24192 830.0 6.383 1.924 6.816 0.000 0.000 0.000 3/24192 840.0 6.306 1.901 6.734 0.000 0.000 0.000 3/24192 850.0 6.232 1.878 6.654 0.000 0.000 0.000 3/24192 860.0 6.158 1.856 6.575 0.000 0.000 0.000 3/24192 870.0 6.087 1.834 6.499 0.000 0.000 0.000 3/24192 880.0 6.017 1.813 6.424 0.000 0.000 0.000 3/24192 890.0 5.949 1.792 6.352 0.000 0.000 0.000 3/24192 900.0 5.882 1.771 6.280 0.000 0.000 0.000 3/24192 910.0 5.817 1.752 6.211 0.000 0.000 0.000 3/24192 920.0 5.753 1.732 6.142 0.000 0.000 0.000 3/24192 930.0 5.691 1.713 6.076 0.000 0.000 0.000 3/24192 940.0 5.630 1.695 6.010 0.000 0.000 0.000 3/24192 950.0 5.570 1.676 5.947 0.000 0.000 0.000 3/24192 960.0 5.511 1.659 5.884 0.000 0.000 0.000 3/24192 970.0 5.454 1.641 5.823 0.000 0.000 0.000 3/24192 980.0 5.398 1.624 5.763 0.000 0.000 0.000 3/24192 990.0 5.343 1.608 5.704 0.000 0.000 0.000 3/24192 1000.0 5.289 1.591 5.647 0.000 0.000 0.000 3/24192 Thermal conductivity related properties were written into "kappa-m849.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:44:24]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|