----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:56:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.318718495063013 -3.324642350000000 0.000000000000000 b 7.318718495063013 3.324642350000000 0.000000000000000 c -5.355033798713337 0.000000000000000 8.585979118645872 Atomic positions (fractional): *1 Lu 0.49598697321822 0.23322558621890 0.66264775370314 174.967 *2 Lu 0.29417944550033 0.77461140262978 0.96413660121366 174.967 3 Lu 0.22538859737022 0.70582055449967 0.53586339878634 174.967 4 Lu 0.23322558621890 0.49598697321822 0.16264775370314 174.967 5 Lu 0.76677441378110 0.50401302678178 0.83735224629686 174.967 6 Lu 0.77461140262978 0.29417944550033 0.46413660121366 174.967 7 Lu 0.70582055449967 0.22538859737022 0.03586339878634 174.967 8 Lu 0.50401302678178 0.76677441378110 0.33735224629686 174.967 *9 Ge 0.08986230914571 0.28362011516933 0.30905714672269 72.640 10 Ge 0.71637988483067 0.91013769085429 0.19094285327731 72.640 11 Ge 0.28362011516933 0.08986230914571 0.80905714672269 72.640 12 Ge 0.91013769085429 0.71637988483067 0.69094285327731 72.640 *13 O 0.07569802909958 0.08813110050759 0.12982015456268 15.999 *14 O 0.71759725900375 0.87005052659078 0.54847845490213 15.999 *15 O 0.18822192474177 0.58076156586973 0.67598751880576 15.999 *16 O 0.53453785753367 0.85044863307492 0.17556150715051 15.999 17 O 0.14955136692508 0.46546214246633 0.32443849284949 15.999 *18 O 0.61745560196405 0.41714732867982 0.89837674545471 15.999 19 O 0.58285267132018 0.38254439803595 0.60162325454529 15.999 20 O 0.91186889949241 0.92430197090042 0.37017984543732 15.999 21 O 0.87005052659078 0.71759725900375 0.04847845490214 15.999 22 O 0.41923843413027 0.81177807525823 0.82401248119424 15.999 23 O 0.58076156586973 0.18822192474177 0.17598751880576 15.999 24 O 0.12994947340922 0.28240274099625 0.95152154509787 15.999 25 O 0.08813110050759 0.07569802909958 0.62982015456268 15.999 26 O 0.41714732867982 0.61745560196405 0.39837674545471 15.999 27 O 0.38254439803595 0.58285267132018 0.10162325454529 15.999 28 O 0.85044863307492 0.53453785753367 0.67556150715051 15.999 29 O 0.46546214246633 0.14955136692508 0.82443849284949 15.999 30 O 0.81177807525823 0.41923843413027 0.32401248119424 15.999 31 O 0.28240274099625 0.12994947340922 0.45152154509787 15.999 32 O 0.92430197090042 0.91186889949241 0.87017984543732 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 14.637436990126027 0.000000000000000 0.000000000000000 b 0.000000000000000 6.649284700000000 0.000000000000000 c -5.355033798713337 0.000000000000000 8.585979118645872 Atomic positions (fractional): *1 Lu 0.86460627971856 0.36861930650034 0.66264775370314 174.967 > 1 *2 Lu 0.03439542406505 0.74021597856472 0.96413660121366 174.967 > 2 3 Lu 0.96560457593495 0.74021597856472 0.53586339878634 174.967 > 3 4 Lu 0.86460627971856 0.63138069349966 0.16264775370314 174.967 > 4 5 Lu 0.13539372028144 0.36861930650034 0.83735224629686 174.967 > 5 6 Lu 0.03439542406505 0.25978402143528 0.46413660121366 174.967 > 6 7 Lu 0.96560457593495 0.25978402143528 0.03586339878634 174.967 > 7 8 Lu 0.13539372028144 0.63138069349966 0.33735224629686 174.967 > 8 9 Lu 0.36460627971856 0.86861930650034 0.66264775370314 174.967 > 1 10 Lu 0.53439542406505 0.24021597856473 0.96413660121366 174.967 > 2 11 Lu 0.46560457593495 0.24021597856473 0.53586339878634 174.967 > 3 12 Lu 0.36460627971856 0.13138069349966 0.16264775370314 174.967 > 4 13 Lu 0.63539372028144 0.86861930650034 0.83735224629686 174.967 > 5 14 Lu 0.53439542406505 0.75978402143528 0.46413660121366 174.967 > 6 15 Lu 0.46560457593495 0.75978402143528 0.03586339878634 174.967 > 7 16 Lu 0.63539372028144 0.13138069349966 0.33735224629686 174.967 > 8 *17 Ge 0.68674121215752 0.59687890301181 0.30905714672269 72.640 > 9 18 Ge 0.81325878784248 0.09687890301181 0.19094285327731 72.640 > 10 19 Ge 0.18674121215752 0.90312109698819 0.80905714672269 72.640 > 11 20 Ge 0.31325878784248 0.40312109698819 0.69094285327731 72.640 > 12 21 Ge 0.18674121215752 0.09687890301181 0.30905714672269 72.640 > 9 22 Ge 0.31325878784248 0.59687890301181 0.19094285327731 72.640 > 10 23 Ge 0.68674121215752 0.40312109698819 0.80905714672269 72.640 > 11 24 Ge 0.81325878784248 0.90312109698819 0.69094285327731 72.640 > 12 *25 O 0.58191456480359 0.50621653570401 0.12982015456268 15.999 > 13 *26 O 0.79382389279726 0.07622663379352 0.54847845490213 15.999 > 14 *27 O 0.88449174530575 0.69626982056398 0.67598751880576 15.999 > 15 *28 O 0.69249324530430 0.15795538777062 0.17556150715051 15.999 > 16 29 O 0.80750675469570 0.65795538777062 0.32443849284949 15.999 > 17 *30 O 0.01730146532194 0.39984586335789 0.89837674545471 15.999 > 18 31 O 0.98269853467806 0.39984586335789 0.60162325454529 15.999 > 19 32 O 0.91808543519641 0.00621653570400 0.37017984543732 15.999 > 20 33 O 0.79382389279726 0.92377336620648 0.04847845490214 15.999 > 21 34 O 0.11550825469425 0.69626982056398 0.82401248119424 15.999 > 22 35 O 0.88449174530575 0.30373017943602 0.17598751880576 15.999 > 23 36 O 0.20617610720274 0.07622663379352 0.95152154509787 15.999 > 24 37 O 0.08191456480358 0.99378346429599 0.62982015456268 15.999 > 25 38 O 0.01730146532194 0.60015413664212 0.39837674545471 15.999 > 26 39 O 0.98269853467806 0.60015413664212 0.10162325454529 15.999 > 27 40 O 0.19249324530430 0.34204461222938 0.67556150715051 15.999 > 28 41 O 0.30750675469570 0.84204461222938 0.82443849284949 15.999 > 29 42 O 0.11550825469425 0.30373017943602 0.32401248119424 15.999 > 30 43 O 0.20617610720274 0.92377336620648 0.45152154509787 15.999 > 31 44 O 0.41808543519642 0.49378346429600 0.87017984543732 15.999 > 32 45 O 0.08191456480358 0.00621653570400 0.12982015456268 15.999 > 13 46 O 0.29382389279726 0.57622663379352 0.54847845490213 15.999 > 14 47 O 0.38449174530575 0.19626982056398 0.67598751880576 15.999 > 15 48 O 0.19249324530430 0.65795538777062 0.17556150715051 15.999 > 16 49 O 0.30750675469570 0.15795538777062 0.32443849284949 15.999 > 17 50 O 0.51730146532194 0.89984586335788 0.89837674545471 15.999 > 18 51 O 0.48269853467806 0.89984586335788 0.60162325454529 15.999 > 19 52 O 0.41808543519642 0.50621653570401 0.37017984543732 15.999 > 20 53 O 0.29382389279726 0.42377336620648 0.04847845490214 15.999 > 21 54 O 0.61550825469425 0.19626982056398 0.82401248119424 15.999 > 22 55 O 0.38449174530575 0.80373017943602 0.17598751880576 15.999 > 23 56 O 0.70617610720274 0.57622663379352 0.95152154509787 15.999 > 24 57 O 0.58191456480359 0.49378346429600 0.62982015456268 15.999 > 25 58 O 0.51730146532194 0.10015413664212 0.39837674545471 15.999 > 26 59 O 0.48269853467806 0.10015413664212 0.10162325454529 15.999 > 27 60 O 0.69249324530430 0.84204461222938 0.67556150715051 15.999 > 28 61 O 0.80750675469570 0.34204461222938 0.82443849284949 15.999 > 29 62 O 0.61550825469425 0.80373017943602 0.32401248119424 15.999 > 30 63 O 0.70617610720274 0.42377336620648 0.45152154509787 15.999 > 31 64 O 0.91808543519641 0.99378346429599 0.87017984543732 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.637436990126027 0.000000000000000 0.000000000000000 b 0.000000000000000 13.298569400000000 0.000000000000000 c -5.355033798713337 0.000000000000000 8.585979118645872 Atomic positions (fractional): *1 Lu 0.86460627971856 0.18430965325017 0.66264775370314 174.967 > 1 2 Lu 0.86460627971856 0.68430965325017 0.66264775370314 174.967 > 1 *3 Lu 0.03439542406505 0.37010798928236 0.96413660121366 174.967 > 2 4 Lu 0.03439542406505 0.87010798928236 0.96413660121366 174.967 > 2 5 Lu 0.96560457593495 0.37010798928236 0.53586339878634 174.967 > 3 6 Lu 0.96560457593495 0.87010798928236 0.53586339878634 174.967 > 3 7 Lu 0.86460627971856 0.31569034674983 0.16264775370314 174.967 > 4 8 Lu 0.86460627971856 0.81569034674983 0.16264775370314 174.967 > 4 9 Lu 0.13539372028144 0.18430965325017 0.83735224629686 174.967 > 5 10 Lu 0.13539372028144 0.68430965325017 0.83735224629686 174.967 > 5 11 Lu 0.03439542406505 0.12989201071764 0.46413660121366 174.967 > 6 12 Lu 0.03439542406505 0.62989201071764 0.46413660121366 174.967 > 6 13 Lu 0.96560457593495 0.12989201071764 0.03586339878634 174.967 > 7 14 Lu 0.96560457593495 0.62989201071764 0.03586339878634 174.967 > 7 15 Lu 0.13539372028144 0.31569034674983 0.33735224629686 174.967 > 8 16 Lu 0.13539372028144 0.81569034674983 0.33735224629686 174.967 > 8 17 Lu 0.36460627971856 0.43430965325017 0.66264775370314 174.967 > 1 18 Lu 0.36460627971856 0.93430965325017 0.66264775370314 174.967 > 1 19 Lu 0.53439542406505 0.12010798928236 0.96413660121366 174.967 > 2 20 Lu 0.53439542406505 0.62010798928236 0.96413660121366 174.967 > 2 21 Lu 0.46560457593495 0.12010798928236 0.53586339878634 174.967 > 3 22 Lu 0.46560457593495 0.62010798928236 0.53586339878634 174.967 > 3 23 Lu 0.36460627971856 0.06569034674983 0.16264775370314 174.967 > 4 24 Lu 0.36460627971856 0.56569034674983 0.16264775370314 174.967 > 4 25 Lu 0.63539372028144 0.43430965325017 0.83735224629686 174.967 > 5 26 Lu 0.63539372028144 0.93430965325017 0.83735224629686 174.967 > 5 27 Lu 0.53439542406505 0.37989201071764 0.46413660121366 174.967 > 6 28 Lu 0.53439542406505 0.87989201071764 0.46413660121366 174.967 > 6 29 Lu 0.46560457593495 0.37989201071764 0.03586339878634 174.967 > 7 30 Lu 0.46560457593495 0.87989201071764 0.03586339878634 174.967 > 7 31 Lu 0.63539372028144 0.06569034674983 0.33735224629686 174.967 > 8 32 Lu 0.63539372028144 0.56569034674983 0.33735224629686 174.967 > 8 *33 Ge 0.68674121215752 0.29843945150591 0.30905714672269 72.640 > 9 34 Ge 0.68674121215752 0.79843945150591 0.30905714672269 72.640 > 9 35 Ge 0.81325878784248 0.04843945150591 0.19094285327731 72.640 > 10 36 Ge 0.81325878784248 0.54843945150591 0.19094285327731 72.640 > 10 37 Ge 0.18674121215752 0.45156054849409 0.80905714672269 72.640 > 11 38 Ge 0.18674121215752 0.95156054849409 0.80905714672269 72.640 > 11 39 Ge 0.31325878784248 0.20156054849409 0.69094285327731 72.640 > 12 40 Ge 0.31325878784248 0.70156054849409 0.69094285327731 72.640 > 12 41 Ge 0.18674121215752 0.04843945150591 0.30905714672269 72.640 > 9 42 Ge 0.18674121215752 0.54843945150591 0.30905714672269 72.640 > 9 43 Ge 0.31325878784248 0.29843945150591 0.19094285327731 72.640 > 10 44 Ge 0.31325878784248 0.79843945150591 0.19094285327731 72.640 > 10 45 Ge 0.68674121215752 0.20156054849409 0.80905714672269 72.640 > 11 46 Ge 0.68674121215752 0.70156054849409 0.80905714672269 72.640 > 11 47 Ge 0.81325878784248 0.45156054849409 0.69094285327731 72.640 > 12 48 Ge 0.81325878784248 0.95156054849409 0.69094285327731 72.640 > 12 *49 O 0.58191456480359 0.25310826785200 0.12982015456268 15.999 > 13 50 O 0.58191456480359 0.75310826785200 0.12982015456268 15.999 > 13 *51 O 0.79382389279726 0.03811331689676 0.54847845490213 15.999 > 14 52 O 0.79382389279726 0.53811331689676 0.54847845490213 15.999 > 14 *53 O 0.88449174530575 0.34813491028199 0.67598751880576 15.999 > 15 54 O 0.88449174530575 0.84813491028199 0.67598751880576 15.999 > 15 *55 O 0.69249324530430 0.07897769388531 0.17556150715051 15.999 > 16 56 O 0.69249324530430 0.57897769388531 0.17556150715051 15.999 > 16 57 O 0.80750675469570 0.32897769388531 0.32443849284949 15.999 > 17 58 O 0.80750675469570 0.82897769388531 0.32443849284949 15.999 > 17 *59 O 0.01730146532194 0.19992293167894 0.89837674545471 15.999 > 18 60 O 0.01730146532194 0.69992293167894 0.89837674545471 15.999 > 18 61 O 0.98269853467806 0.19992293167894 0.60162325454529 15.999 > 19 62 O 0.98269853467806 0.69992293167894 0.60162325454529 15.999 > 19 63 O 0.91808543519641 0.00310826785200 0.37017984543732 15.999 > 20 64 O 0.91808543519641 0.50310826785200 0.37017984543732 15.999 > 20 65 O 0.79382389279726 0.46188668310324 0.04847845490214 15.999 > 21 66 O 0.79382389279726 0.96188668310324 0.04847845490214 15.999 > 21 67 O 0.11550825469425 0.34813491028199 0.82401248119424 15.999 > 22 68 O 0.11550825469425 0.84813491028199 0.82401248119424 15.999 > 22 69 O 0.88449174530575 0.15186508971801 0.17598751880576 15.999 > 23 70 O 0.88449174530575 0.65186508971801 0.17598751880576 15.999 > 23 71 O 0.20617610720274 0.03811331689676 0.95152154509787 15.999 > 24 72 O 0.20617610720274 0.53811331689676 0.95152154509787 15.999 > 24 73 O 0.08191456480358 0.49689173214800 0.62982015456268 15.999 > 25 74 O 0.08191456480358 0.99689173214800 0.62982015456268 15.999 > 25 75 O 0.01730146532194 0.30007706832106 0.39837674545471 15.999 > 26 76 O 0.01730146532194 0.80007706832106 0.39837674545471 15.999 > 26 77 O 0.98269853467806 0.30007706832106 0.10162325454529 15.999 > 27 78 O 0.98269853467806 0.80007706832106 0.10162325454529 15.999 > 27 79 O 0.19249324530430 0.17102230611469 0.67556150715051 15.999 > 28 80 O 0.19249324530430 0.67102230611469 0.67556150715051 15.999 > 28 81 O 0.30750675469570 0.42102230611469 0.82443849284949 15.999 > 29 82 O 0.30750675469570 0.92102230611469 0.82443849284949 15.999 > 29 83 O 0.11550825469425 0.15186508971801 0.32401248119424 15.999 > 30 84 O 0.11550825469425 0.65186508971801 0.32401248119424 15.999 > 30 85 O 0.20617610720274 0.46188668310324 0.45152154509787 15.999 > 31 86 O 0.20617610720274 0.96188668310324 0.45152154509787 15.999 > 31 87 O 0.41808543519642 0.24689173214800 0.87017984543732 15.999 > 32 88 O 0.41808543519642 0.74689173214800 0.87017984543732 15.999 > 32 89 O 0.08191456480358 0.00310826785200 0.12982015456268 15.999 > 13 90 O 0.08191456480358 0.50310826785200 0.12982015456268 15.999 > 13 91 O 0.29382389279726 0.28811331689676 0.54847845490213 15.999 > 14 92 O 0.29382389279726 0.78811331689676 0.54847845490213 15.999 > 14 93 O 0.38449174530575 0.09813491028199 0.67598751880576 15.999 > 15 94 O 0.38449174530575 0.59813491028199 0.67598751880576 15.999 > 15 95 O 0.19249324530430 0.32897769388531 0.17556150715051 15.999 > 16 96 O 0.19249324530430 0.82897769388531 0.17556150715051 15.999 > 16 97 O 0.30750675469570 0.07897769388531 0.32443849284949 15.999 > 17 98 O 0.30750675469570 0.57897769388531 0.32443849284949 15.999 > 17 99 O 0.51730146532194 0.44992293167894 0.89837674545471 15.999 > 18 100 O 0.51730146532194 0.94992293167894 0.89837674545471 15.999 > 18 101 O 0.48269853467806 0.44992293167894 0.60162325454529 15.999 > 19 102 O 0.48269853467806 0.94992293167894 0.60162325454529 15.999 > 19 103 O 0.41808543519642 0.25310826785200 0.37017984543732 15.999 > 20 104 O 0.41808543519642 0.75310826785200 0.37017984543732 15.999 > 20 105 O 0.29382389279726 0.21188668310324 0.04847845490214 15.999 > 21 106 O 0.29382389279726 0.71188668310324 0.04847845490214 15.999 > 21 107 O 0.61550825469425 0.09813491028199 0.82401248119424 15.999 > 22 108 O 0.61550825469425 0.59813491028199 0.82401248119424 15.999 > 22 109 O 0.38449174530575 0.40186508971801 0.17598751880576 15.999 > 23 110 O 0.38449174530575 0.90186508971801 0.17598751880576 15.999 > 23 111 O 0.70617610720274 0.28811331689676 0.95152154509787 15.999 > 24 112 O 0.70617610720274 0.78811331689676 0.95152154509787 15.999 > 24 113 O 0.58191456480359 0.24689173214800 0.62982015456268 15.999 > 25 114 O 0.58191456480359 0.74689173214800 0.62982015456268 15.999 > 25 115 O 0.51730146532194 0.05007706832106 0.39837674545471 15.999 > 26 116 O 0.51730146532194 0.55007706832106 0.39837674545471 15.999 > 26 117 O 0.48269853467806 0.05007706832106 0.10162325454529 15.999 > 27 118 O 0.48269853467806 0.55007706832106 0.10162325454529 15.999 > 27 119 O 0.69249324530430 0.42102230611469 0.67556150715051 15.999 > 28 120 O 0.69249324530430 0.92102230611469 0.67556150715051 15.999 > 28 121 O 0.80750675469570 0.17102230611469 0.82443849284949 15.999 > 29 122 O 0.80750675469570 0.67102230611469 0.82443849284949 15.999 > 29 123 O 0.61550825469425 0.40186508971801 0.32401248119424 15.999 > 30 124 O 0.61550825469425 0.90186508971801 0.32401248119424 15.999 > 30 125 O 0.70617610720274 0.21188668310324 0.45152154509787 15.999 > 31 126 O 0.70617610720274 0.71188668310324 0.45152154509787 15.999 > 31 127 O 0.91808543519641 0.49689173214800 0.87017984543732 15.999 > 32 128 O 0.91808543519641 0.99689173214800 0.87017984543732 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7684393 0.0000000 0.0412609 0.0000000 3.6665971 0.0000000 0.0412735 0.0000000 3.7218033 -------------------------- Born effective charges -------------------------- 1 Lu 3.8811160 0.4922458 -0.0604314 0.4555078 3.6538862 0.1810099 0.2338372 0.0945143 3.6526877 2 Lu 3.4343195 -0.1836453 -0.0580610 -0.1255989 3.6785003 -0.1074948 -0.2090168 0.0197060 3.8865005 3 Lu 3.4343195 0.1836453 -0.0580610 0.1255989 3.6785003 0.1074948 -0.2090168 -0.0197060 3.8865005 4 Lu 3.8811160 -0.4922458 -0.0604314 -0.4555078 3.6538862 -0.1810099 0.2338372 -0.0945143 3.6526877 5 Lu 3.8811160 -0.4922458 -0.0604314 -0.4555078 3.6538862 -0.1810099 0.2338372 -0.0945143 3.6526877 6 Lu 3.4343195 0.1836453 -0.0580610 0.1255989 3.6785003 0.1074948 -0.2090168 -0.0197060 3.8865005 7 Lu 3.4343195 -0.1836453 -0.0580610 -0.1255989 3.6785003 -0.1074948 -0.2090168 0.0197060 3.8865005 8 Lu 3.8811160 0.4922458 -0.0604314 0.4555078 3.6538862 0.1810099 0.2338372 0.0945143 3.6526877 9 Ge 3.4533129 -0.1367973 0.2433414 -0.0556959 3.1826280 -0.0485445 0.1317885 0.0013550 3.1342424 10 Ge 3.4533129 0.1367973 0.2433414 0.0556959 3.1826280 0.0485445 0.1317885 -0.0013550 3.1342424 11 Ge 3.4533129 0.1367973 0.2433414 0.0556959 3.1826280 0.0485445 0.1317885 -0.0013550 3.1342424 12 Ge 3.4533129 -0.1367973 0.2433414 -0.0556959 3.1826280 -0.0485445 0.1317885 0.0013550 3.1342424 13 O -1.4567145 0.3486725 -0.3676628 0.2631972 -2.3328839 -0.3352365 -0.4170915 -0.2295512 -2.2439701 14 O -1.4803082 -0.2093806 -0.3454885 -0.2402074 -2.3072373 0.1553498 -0.3399394 0.2931750 -2.3497089 15 O -2.0323486 0.3173589 0.1777243 0.4363378 -2.4951011 -0.1426349 0.2158461 -0.1634037 -1.8432399 16 O -2.9264561 0.2501685 0.0150007 0.3234232 -1.3462896 0.2015101 -0.0398978 0.1495490 -1.9598220 17 O -2.9264561 -0.2501685 0.0150007 -0.3234232 -1.3462896 -0.2015101 -0.0398978 -0.1495490 -1.9598220 18 O -2.8729209 -0.2261934 0.3955774 -0.2846158 -2.0335026 0.0478821 0.4244739 -0.0771375 -2.2766898 19 O -2.8729209 0.2261934 0.3955774 0.2846158 -2.0335026 -0.0478821 0.4244739 0.0771375 -2.2766898 20 O -1.4567145 -0.3486725 -0.3676628 -0.2631972 -2.3328839 0.3352365 -0.4170915 0.2295512 -2.2439701 21 O -1.4803082 0.2093806 -0.3454885 0.2402074 -2.3072373 -0.1553498 -0.3399394 -0.2931750 -2.3497089 22 O -2.0323486 -0.3173589 0.1777243 -0.4363378 -2.4951011 0.1426349 0.2158461 0.1634037 -1.8432399 23 O -2.0323486 -0.3173589 0.1777243 -0.4363378 -2.4951011 0.1426349 0.2158461 0.1634037 -1.8432399 24 O -1.4803082 0.2093806 -0.3454885 0.2402074 -2.3072373 -0.1553498 -0.3399394 -0.2931750 -2.3497089 25 O -1.4567145 -0.3486725 -0.3676628 -0.2631972 -2.3328839 0.3352365 -0.4170915 0.2295512 -2.2439701 26 O -2.8729209 0.2261934 0.3955774 0.2846158 -2.0335026 -0.0478821 0.4244739 0.0771375 -2.2766898 27 O -2.8729209 -0.2261934 0.3955774 -0.2846158 -2.0335026 0.0478821 0.4244739 -0.0771375 -2.2766898 28 O -2.9264561 -0.2501685 0.0150007 -0.3234232 -1.3462896 -0.2015101 -0.0398978 -0.1495490 -1.9598220 29 O -2.9264561 0.2501685 0.0150007 0.3234232 -1.3462896 0.2015101 -0.0398978 0.1495490 -1.9598220 30 O -2.0323486 0.3173589 0.1777243 0.4363378 -2.4951011 -0.1426349 0.2158461 -0.1634037 -1.8432399 31 O -1.4803082 -0.2093806 -0.3454885 -0.2402074 -2.3072373 0.1553498 -0.3399394 0.2931750 -2.3497089 32 O -1.4567145 0.3486725 -0.3676628 0.2631972 -2.3328839 -0.3352365 -0.4170915 -0.2295512 -2.2439701 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 22848/22848 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 960 - Time: 1.342 Solver_block: 200 / 960 - Time: 1.220 Solver_block: 300 / 960 - Time: 1.217 Solver_block: 400 / 960 - Time: 1.235 Solver_block: 500 / 960 - Time: 1.213 Solver_block: 600 / 960 - Time: 1.219 Solver_block: 700 / 960 - Time: 1.220 Solver_block: 800 / 960 - Time: 1.229 Solver_block: 900 / 960 - Time: 1.202 Solver_block: 960 / 960 - Time: 0.807 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.236 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 22848/22848 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 258 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 242 eigenvectors found. (2) Block: 560 / 560 (2) 54 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 14), data: (560, 22) @ (22, 14) |-- (60, 54), data: True |-- (250, 242), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 12), data: (524, 28) @ (28, 12) |-- (274, 258), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:57:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:57:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.318718495063013 -3.324642350000000 0.000000000000000 b 7.318718495063013 3.324642350000000 0.000000000000000 c -5.355033798713337 0.000000000000000 8.585979118645872 Atomic positions (fractional): 1 Lu 0.49598697321822 0.23322558621890 0.66264775370314 174.967 2 Lu 0.29417944550033 0.77461140262978 0.96413660121366 174.967 3 Lu 0.22538859737022 0.70582055449967 0.53586339878634 174.967 4 Lu 0.23322558621890 0.49598697321822 0.16264775370314 174.967 5 Lu 0.76677441378110 0.50401302678178 0.83735224629686 174.967 6 Lu 0.77461140262978 0.29417944550033 0.46413660121366 174.967 7 Lu 0.70582055449967 0.22538859737022 0.03586339878634 174.967 8 Lu 0.50401302678178 0.76677441378110 0.33735224629686 174.967 9 Ge 0.08986230914571 0.28362011516933 0.30905714672269 72.640 10 Ge 0.71637988483067 0.91013769085429 0.19094285327731 72.640 11 Ge 0.28362011516933 0.08986230914571 0.80905714672269 72.640 12 Ge 0.91013769085429 0.71637988483067 0.69094285327731 72.640 13 O 0.07569802909958 0.08813110050759 0.12982015456268 15.999 14 O 0.71759725900375 0.87005052659078 0.54847845490213 15.999 15 O 0.18822192474177 0.58076156586973 0.67598751880576 15.999 16 O 0.53453785753367 0.85044863307492 0.17556150715051 15.999 17 O 0.14955136692508 0.46546214246633 0.32443849284949 15.999 18 O 0.61745560196405 0.41714732867982 0.89837674545471 15.999 19 O 0.58285267132018 0.38254439803595 0.60162325454529 15.999 20 O 0.91186889949241 0.92430197090042 0.37017984543732 15.999 21 O 0.87005052659078 0.71759725900375 0.04847845490214 15.999 22 O 0.41923843413027 0.81177807525823 0.82401248119424 15.999 23 O 0.58076156586973 0.18822192474177 0.17598751880576 15.999 24 O 0.12994947340922 0.28240274099625 0.95152154509787 15.999 25 O 0.08813110050759 0.07569802909958 0.62982015456268 15.999 26 O 0.41714732867982 0.61745560196405 0.39837674545471 15.999 27 O 0.38254439803595 0.58285267132018 0.10162325454529 15.999 28 O 0.85044863307492 0.53453785753367 0.67556150715051 15.999 29 O 0.46546214246633 0.14955136692508 0.82443849284949 15.999 30 O 0.81177807525823 0.41923843413027 0.32401248119424 15.999 31 O 0.28240274099625 0.12994947340922 0.45152154509787 15.999 32 O 0.92430197090042 0.91186889949241 0.87017984543732 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.637436990126027 0.000000000000000 0.000000000000000 b 0.000000000000000 13.298569400000000 0.000000000000000 c -5.355033798713337 0.000000000000000 8.585979118645872 Atomic positions (fractional): 1 Lu 0.86460627971856 0.18430965325017 0.66264775370314 174.967 > 1 2 Lu 0.86460627971856 0.68430965325017 0.66264775370314 174.967 > 1 3 Lu 0.03439542406505 0.37010798928236 0.96413660121366 174.967 > 3 4 Lu 0.03439542406505 0.87010798928236 0.96413660121366 174.967 > 3 5 Lu 0.96560457593495 0.37010798928236 0.53586339878634 174.967 > 5 6 Lu 0.96560457593495 0.87010798928236 0.53586339878634 174.967 > 5 7 Lu 0.86460627971856 0.31569034674983 0.16264775370314 174.967 > 7 8 Lu 0.86460627971856 0.81569034674983 0.16264775370314 174.967 > 7 9 Lu 0.13539372028144 0.18430965325017 0.83735224629686 174.967 > 9 10 Lu 0.13539372028144 0.68430965325017 0.83735224629686 174.967 > 9 11 Lu 0.03439542406505 0.12989201071764 0.46413660121366 174.967 > 11 12 Lu 0.03439542406505 0.62989201071764 0.46413660121366 174.967 > 11 13 Lu 0.96560457593495 0.12989201071764 0.03586339878634 174.967 > 13 14 Lu 0.96560457593495 0.62989201071764 0.03586339878634 174.967 > 13 15 Lu 0.13539372028144 0.31569034674983 0.33735224629686 174.967 > 15 16 Lu 0.13539372028144 0.81569034674983 0.33735224629686 174.967 > 15 17 Lu 0.36460627971856 0.43430965325017 0.66264775370314 174.967 > 1 18 Lu 0.36460627971856 0.93430965325017 0.66264775370314 174.967 > 1 19 Lu 0.53439542406505 0.12010798928236 0.96413660121366 174.967 > 3 20 Lu 0.53439542406505 0.62010798928236 0.96413660121366 174.967 > 3 21 Lu 0.46560457593495 0.12010798928236 0.53586339878634 174.967 > 5 22 Lu 0.46560457593495 0.62010798928236 0.53586339878634 174.967 > 5 23 Lu 0.36460627971856 0.06569034674983 0.16264775370314 174.967 > 7 24 Lu 0.36460627971856 0.56569034674983 0.16264775370314 174.967 > 7 25 Lu 0.63539372028144 0.43430965325017 0.83735224629686 174.967 > 9 26 Lu 0.63539372028144 0.93430965325017 0.83735224629686 174.967 > 9 27 Lu 0.53439542406505 0.37989201071764 0.46413660121366 174.967 > 11 28 Lu 0.53439542406505 0.87989201071764 0.46413660121366 174.967 > 11 29 Lu 0.46560457593495 0.37989201071764 0.03586339878634 174.967 > 13 30 Lu 0.46560457593495 0.87989201071764 0.03586339878634 174.967 > 13 31 Lu 0.63539372028144 0.06569034674983 0.33735224629686 174.967 > 15 32 Lu 0.63539372028144 0.56569034674983 0.33735224629686 174.967 > 15 33 Ge 0.68674121215752 0.29843945150591 0.30905714672269 72.640 > 33 34 Ge 0.68674121215752 0.79843945150591 0.30905714672269 72.640 > 33 35 Ge 0.81325878784248 0.04843945150591 0.19094285327731 72.640 > 35 36 Ge 0.81325878784248 0.54843945150591 0.19094285327731 72.640 > 35 37 Ge 0.18674121215752 0.45156054849409 0.80905714672269 72.640 > 37 38 Ge 0.18674121215752 0.95156054849409 0.80905714672269 72.640 > 37 39 Ge 0.31325878784248 0.20156054849409 0.69094285327731 72.640 > 39 40 Ge 0.31325878784248 0.70156054849409 0.69094285327731 72.640 > 39 41 Ge 0.18674121215752 0.04843945150591 0.30905714672269 72.640 > 33 42 Ge 0.18674121215752 0.54843945150591 0.30905714672269 72.640 > 33 43 Ge 0.31325878784248 0.29843945150591 0.19094285327731 72.640 > 35 44 Ge 0.31325878784248 0.79843945150591 0.19094285327731 72.640 > 35 45 Ge 0.68674121215752 0.20156054849409 0.80905714672269 72.640 > 37 46 Ge 0.68674121215752 0.70156054849409 0.80905714672269 72.640 > 37 47 Ge 0.81325878784248 0.45156054849409 0.69094285327731 72.640 > 39 48 Ge 0.81325878784248 0.95156054849409 0.69094285327731 72.640 > 39 49 O 0.58191456480359 0.25310826785200 0.12982015456268 15.999 > 49 50 O 0.58191456480359 0.75310826785200 0.12982015456268 15.999 > 49 51 O 0.79382389279726 0.03811331689676 0.54847845490213 15.999 > 51 52 O 0.79382389279726 0.53811331689676 0.54847845490213 15.999 > 51 53 O 0.88449174530575 0.34813491028199 0.67598751880576 15.999 > 53 54 O 0.88449174530575 0.84813491028199 0.67598751880576 15.999 > 53 55 O 0.69249324530430 0.07897769388531 0.17556150715051 15.999 > 55 56 O 0.69249324530430 0.57897769388531 0.17556150715051 15.999 > 55 57 O 0.80750675469570 0.32897769388531 0.32443849284949 15.999 > 57 58 O 0.80750675469570 0.82897769388531 0.32443849284949 15.999 > 57 59 O 0.01730146532194 0.19992293167894 0.89837674545471 15.999 > 59 60 O 0.01730146532194 0.69992293167894 0.89837674545471 15.999 > 59 61 O 0.98269853467806 0.19992293167894 0.60162325454529 15.999 > 61 62 O 0.98269853467806 0.69992293167894 0.60162325454529 15.999 > 61 63 O 0.91808543519641 0.00310826785200 0.37017984543732 15.999 > 63 64 O 0.91808543519641 0.50310826785200 0.37017984543732 15.999 > 63 65 O 0.79382389279726 0.46188668310324 0.04847845490214 15.999 > 65 66 O 0.79382389279726 0.96188668310324 0.04847845490214 15.999 > 65 67 O 0.11550825469425 0.34813491028199 0.82401248119424 15.999 > 67 68 O 0.11550825469425 0.84813491028199 0.82401248119424 15.999 > 67 69 O 0.88449174530575 0.15186508971801 0.17598751880576 15.999 > 69 70 O 0.88449174530575 0.65186508971801 0.17598751880576 15.999 > 69 71 O 0.20617610720274 0.03811331689676 0.95152154509787 15.999 > 71 72 O 0.20617610720274 0.53811331689676 0.95152154509787 15.999 > 71 73 O 0.08191456480358 0.49689173214800 0.62982015456268 15.999 > 73 74 O 0.08191456480358 0.99689173214800 0.62982015456268 15.999 > 73 75 O 0.01730146532194 0.30007706832106 0.39837674545471 15.999 > 75 76 O 0.01730146532194 0.80007706832106 0.39837674545471 15.999 > 75 77 O 0.98269853467806 0.30007706832106 0.10162325454529 15.999 > 77 78 O 0.98269853467806 0.80007706832106 0.10162325454529 15.999 > 77 79 O 0.19249324530430 0.17102230611469 0.67556150715051 15.999 > 79 80 O 0.19249324530430 0.67102230611469 0.67556150715051 15.999 > 79 81 O 0.30750675469570 0.42102230611469 0.82443849284949 15.999 > 81 82 O 0.30750675469570 0.92102230611469 0.82443849284949 15.999 > 81 83 O 0.11550825469425 0.15186508971801 0.32401248119424 15.999 > 83 84 O 0.11550825469425 0.65186508971801 0.32401248119424 15.999 > 83 85 O 0.20617610720274 0.46188668310324 0.45152154509787 15.999 > 85 86 O 0.20617610720274 0.96188668310324 0.45152154509787 15.999 > 85 87 O 0.41808543519642 0.24689173214800 0.87017984543732 15.999 > 87 88 O 0.41808543519642 0.74689173214800 0.87017984543732 15.999 > 87 89 O 0.08191456480358 0.00310826785200 0.12982015456268 15.999 > 49 90 O 0.08191456480358 0.50310826785200 0.12982015456268 15.999 > 49 91 O 0.29382389279726 0.28811331689676 0.54847845490213 15.999 > 51 92 O 0.29382389279726 0.78811331689676 0.54847845490213 15.999 > 51 93 O 0.38449174530575 0.09813491028199 0.67598751880576 15.999 > 53 94 O 0.38449174530575 0.59813491028199 0.67598751880576 15.999 > 53 95 O 0.19249324530430 0.32897769388531 0.17556150715051 15.999 > 55 96 O 0.19249324530430 0.82897769388531 0.17556150715051 15.999 > 55 97 O 0.30750675469570 0.07897769388531 0.32443849284949 15.999 > 57 98 O 0.30750675469570 0.57897769388531 0.32443849284949 15.999 > 57 99 O 0.51730146532194 0.44992293167894 0.89837674545471 15.999 > 59 100 O 0.51730146532194 0.94992293167894 0.89837674545471 15.999 > 59 101 O 0.48269853467806 0.44992293167894 0.60162325454529 15.999 > 61 102 O 0.48269853467806 0.94992293167894 0.60162325454529 15.999 > 61 103 O 0.41808543519642 0.25310826785200 0.37017984543732 15.999 > 63 104 O 0.41808543519642 0.75310826785200 0.37017984543732 15.999 > 63 105 O 0.29382389279726 0.21188668310324 0.04847845490214 15.999 > 65 106 O 0.29382389279726 0.71188668310324 0.04847845490214 15.999 > 65 107 O 0.61550825469425 0.09813491028199 0.82401248119424 15.999 > 67 108 O 0.61550825469425 0.59813491028199 0.82401248119424 15.999 > 67 109 O 0.38449174530575 0.40186508971801 0.17598751880576 15.999 > 69 110 O 0.38449174530575 0.90186508971801 0.17598751880576 15.999 > 69 111 O 0.70617610720274 0.28811331689676 0.95152154509787 15.999 > 71 112 O 0.70617610720274 0.78811331689676 0.95152154509787 15.999 > 71 113 O 0.58191456480359 0.24689173214800 0.62982015456268 15.999 > 73 114 O 0.58191456480359 0.74689173214800 0.62982015456268 15.999 > 73 115 O 0.51730146532194 0.05007706832106 0.39837674545471 15.999 > 75 116 O 0.51730146532194 0.55007706832106 0.39837674545471 15.999 > 75 117 O 0.48269853467806 0.05007706832106 0.10162325454529 15.999 > 77 118 O 0.48269853467806 0.55007706832106 0.10162325454529 15.999 > 77 119 O 0.69249324530430 0.42102230611469 0.67556150715051 15.999 > 79 120 O 0.69249324530430 0.92102230611469 0.67556150715051 15.999 > 79 121 O 0.80750675469570 0.17102230611469 0.82443849284949 15.999 > 81 122 O 0.80750675469570 0.67102230611469 0.82443849284949 15.999 > 81 123 O 0.61550825469425 0.40186508971801 0.32401248119424 15.999 > 83 124 O 0.61550825469425 0.90186508971801 0.32401248119424 15.999 > 83 125 O 0.70617610720274 0.21188668310324 0.45152154509787 15.999 > 85 126 O 0.70617610720274 0.71188668310324 0.45152154509787 15.999 > 85 127 O 0.91808543519641 0.49689173214800 0.87017984543732 15.999 > 87 128 O 0.91808543519641 0.99689173214800 0.87017984543732 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.7684393 0.0000000 0.0412609 0.0000000 3.6665971 0.0000000 0.0412735 0.0000000 3.7218033 -------------------------- Born effective charges -------------------------- 1 Lu 3.8811160 0.4922458 -0.0604314 0.4555078 3.6538862 0.1810099 0.2338372 0.0945143 3.6526877 2 Lu 3.4343195 -0.1836453 -0.0580610 -0.1255989 3.6785003 -0.1074948 -0.2090168 0.0197060 3.8865005 3 Lu 3.4343195 0.1836453 -0.0580610 0.1255989 3.6785003 0.1074948 -0.2090168 -0.0197060 3.8865005 4 Lu 3.8811160 -0.4922458 -0.0604314 -0.4555078 3.6538862 -0.1810099 0.2338372 -0.0945143 3.6526877 5 Lu 3.8811160 -0.4922458 -0.0604314 -0.4555078 3.6538862 -0.1810099 0.2338372 -0.0945143 3.6526877 6 Lu 3.4343195 0.1836453 -0.0580610 0.1255989 3.6785003 0.1074948 -0.2090168 -0.0197060 3.8865005 7 Lu 3.4343195 -0.1836453 -0.0580610 -0.1255989 3.6785003 -0.1074948 -0.2090168 0.0197060 3.8865005 8 Lu 3.8811160 0.4922458 -0.0604314 0.4555078 3.6538862 0.1810099 0.2338372 0.0945143 3.6526877 9 Ge 3.4533129 -0.1367973 0.2433414 -0.0556959 3.1826280 -0.0485445 0.1317885 0.0013550 3.1342424 10 Ge 3.4533129 0.1367973 0.2433414 0.0556959 3.1826280 0.0485445 0.1317885 -0.0013550 3.1342424 11 Ge 3.4533129 0.1367973 0.2433414 0.0556959 3.1826280 0.0485445 0.1317885 -0.0013550 3.1342424 12 Ge 3.4533129 -0.1367973 0.2433414 -0.0556959 3.1826280 -0.0485445 0.1317885 0.0013550 3.1342424 13 O -1.4567145 0.3486725 -0.3676628 0.2631972 -2.3328839 -0.3352365 -0.4170915 -0.2295512 -2.2439701 14 O -1.4803082 -0.2093806 -0.3454885 -0.2402074 -2.3072373 0.1553498 -0.3399394 0.2931750 -2.3497089 15 O -2.0323486 0.3173589 0.1777243 0.4363378 -2.4951011 -0.1426349 0.2158461 -0.1634037 -1.8432399 16 O -2.9264561 0.2501685 0.0150007 0.3234232 -1.3462896 0.2015101 -0.0398978 0.1495490 -1.9598220 17 O -2.9264561 -0.2501685 0.0150007 -0.3234232 -1.3462896 -0.2015101 -0.0398978 -0.1495490 -1.9598220 18 O -2.8729209 -0.2261934 0.3955774 -0.2846158 -2.0335026 0.0478821 0.4244739 -0.0771375 -2.2766898 19 O -2.8729209 0.2261934 0.3955774 0.2846158 -2.0335026 -0.0478821 0.4244739 0.0771375 -2.2766898 20 O -1.4567145 -0.3486725 -0.3676628 -0.2631972 -2.3328839 0.3352365 -0.4170915 0.2295512 -2.2439701 21 O -1.4803082 0.2093806 -0.3454885 0.2402074 -2.3072373 -0.1553498 -0.3399394 -0.2931750 -2.3497089 22 O -2.0323486 -0.3173589 0.1777243 -0.4363378 -2.4951011 0.1426349 0.2158461 0.1634037 -1.8432399 23 O -2.0323486 -0.3173589 0.1777243 -0.4363378 -2.4951011 0.1426349 0.2158461 0.1634037 -1.8432399 24 O -1.4803082 0.2093806 -0.3454885 0.2402074 -2.3072373 -0.1553498 -0.3399394 -0.2931750 -2.3497089 25 O -1.4567145 -0.3486725 -0.3676628 -0.2631972 -2.3328839 0.3352365 -0.4170915 0.2295512 -2.2439701 26 O -2.8729209 0.2261934 0.3955774 0.2846158 -2.0335026 -0.0478821 0.4244739 0.0771375 -2.2766898 27 O -2.8729209 -0.2261934 0.3955774 -0.2846158 -2.0335026 0.0478821 0.4244739 -0.0771375 -2.2766898 28 O -2.9264561 -0.2501685 0.0150007 -0.3234232 -1.3462896 -0.2015101 -0.0398978 -0.1495490 -1.9598220 29 O -2.9264561 0.2501685 0.0150007 0.3234232 -1.3462896 0.2015101 -0.0398978 0.1495490 -1.9598220 30 O -2.0323486 0.3173589 0.1777243 0.4363378 -2.4951011 -0.1426349 0.2158461 -0.1634037 -1.8432399 31 O -1.4803082 -0.2093806 -0.3454885 -0.2402074 -2.3072373 0.1553498 -0.3399394 0.2931750 -2.3497089 32 O -1.4567145 0.3486725 -0.3676628 0.2631972 -2.3328839 -0.3352365 -0.4170915 -0.2295512 -2.2439701 ---------------------------------------------------------------------------- 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] 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] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0053 0.0000 0.0085] [ 0.0053 0.0000 -0.0085] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (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 00:58:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:58:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 0.5 0.5 -0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: C2/c (15) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.318718495063013 -3.324642350000000 0.000000000000000 b 7.318718495063013 3.324642350000000 0.000000000000000 c -5.355033798713337 0.000000000000000 8.585979118645872 Atomic positions (fractional): 1 Lu 0.49598697321822 0.23322558621890 0.66264775370314 174.967 2 Lu 0.29417944550033 0.77461140262978 0.96413660121366 174.967 3 Lu 0.22538859737022 0.70582055449967 0.53586339878634 174.967 4 Lu 0.23322558621890 0.49598697321822 0.16264775370314 174.967 5 Lu 0.76677441378110 0.50401302678178 0.83735224629686 174.967 6 Lu 0.77461140262978 0.29417944550033 0.46413660121366 174.967 7 Lu 0.70582055449967 0.22538859737022 0.03586339878634 174.967 8 Lu 0.50401302678178 0.76677441378110 0.33735224629686 174.967 9 Ge 0.08986230914571 0.28362011516933 0.30905714672269 72.640 10 Ge 0.71637988483067 0.91013769085429 0.19094285327731 72.640 11 Ge 0.28362011516933 0.08986230914571 0.80905714672269 72.640 12 Ge 0.91013769085429 0.71637988483067 0.69094285327731 72.640 13 O 0.07569802909958 0.08813110050759 0.12982015456268 15.999 14 O 0.71759725900375 0.87005052659078 0.54847845490213 15.999 15 O 0.18822192474177 0.58076156586973 0.67598751880576 15.999 16 O 0.53453785753367 0.85044863307492 0.17556150715051 15.999 17 O 0.14955136692508 0.46546214246633 0.32443849284949 15.999 18 O 0.61745560196405 0.41714732867982 0.89837674545471 15.999 19 O 0.58285267132018 0.38254439803595 0.60162325454529 15.999 20 O 0.91186889949241 0.92430197090042 0.37017984543732 15.999 21 O 0.87005052659078 0.71759725900375 0.04847845490214 15.999 22 O 0.41923843413027 0.81177807525823 0.82401248119424 15.999 23 O 0.58076156586973 0.18822192474177 0.17598751880576 15.999 24 O 0.12994947340922 0.28240274099625 0.95152154509787 15.999 25 O 0.08813110050759 0.07569802909958 0.62982015456268 15.999 26 O 0.41714732867982 0.61745560196405 0.39837674545471 15.999 27 O 0.38254439803595 0.58285267132018 0.10162325454529 15.999 28 O 0.85044863307492 0.53453785753367 0.67556150715051 15.999 29 O 0.46546214246633 0.14955136692508 0.82443849284949 15.999 30 O 0.81177807525823 0.41923843413027 0.32401248119424 15.999 31 O 0.28240274099625 0.12994947340922 0.45152154509787 15.999 32 O 0.92430197090042 0.91186889949241 0.87017984543732 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.637436990126027 0.000000000000000 0.000000000000000 b 0.000000000000000 13.298569400000000 0.000000000000000 c -5.355033798713337 0.000000000000000 8.585979118645872 Atomic positions (fractional): 1 Lu 0.86460627971856 0.18430965325017 0.66264775370314 174.967 > 1 2 Lu 0.86460627971856 0.68430965325017 0.66264775370314 174.967 > 1 3 Lu 0.03439542406505 0.37010798928236 0.96413660121366 174.967 > 3 4 Lu 0.03439542406505 0.87010798928236 0.96413660121366 174.967 > 3 5 Lu 0.96560457593495 0.37010798928236 0.53586339878634 174.967 > 5 6 Lu 0.96560457593495 0.87010798928236 0.53586339878634 174.967 > 5 7 Lu 0.86460627971856 0.31569034674983 0.16264775370314 174.967 > 7 8 Lu 0.86460627971856 0.81569034674983 0.16264775370314 174.967 > 7 9 Lu 0.13539372028144 0.18430965325017 0.83735224629686 174.967 > 9 10 Lu 0.13539372028144 0.68430965325017 0.83735224629686 174.967 > 9 11 Lu 0.03439542406505 0.12989201071764 0.46413660121366 174.967 > 11 12 Lu 0.03439542406505 0.62989201071764 0.46413660121366 174.967 > 11 13 Lu 0.96560457593495 0.12989201071764 0.03586339878634 174.967 > 13 14 Lu 0.96560457593495 0.62989201071764 0.03586339878634 174.967 > 13 15 Lu 0.13539372028144 0.31569034674983 0.33735224629686 174.967 > 15 16 Lu 0.13539372028144 0.81569034674983 0.33735224629686 174.967 > 15 17 Lu 0.36460627971856 0.43430965325017 0.66264775370314 174.967 > 1 18 Lu 0.36460627971856 0.93430965325017 0.66264775370314 174.967 > 1 19 Lu 0.53439542406505 0.12010798928236 0.96413660121366 174.967 > 3 20 Lu 0.53439542406505 0.62010798928236 0.96413660121366 174.967 > 3 21 Lu 0.46560457593495 0.12010798928236 0.53586339878634 174.967 > 5 22 Lu 0.46560457593495 0.62010798928236 0.53586339878634 174.967 > 5 23 Lu 0.36460627971856 0.06569034674983 0.16264775370314 174.967 > 7 24 Lu 0.36460627971856 0.56569034674983 0.16264775370314 174.967 > 7 25 Lu 0.63539372028144 0.43430965325017 0.83735224629686 174.967 > 9 26 Lu 0.63539372028144 0.93430965325017 0.83735224629686 174.967 > 9 27 Lu 0.53439542406505 0.37989201071764 0.46413660121366 174.967 > 11 28 Lu 0.53439542406505 0.87989201071764 0.46413660121366 174.967 > 11 29 Lu 0.46560457593495 0.37989201071764 0.03586339878634 174.967 > 13 30 Lu 0.46560457593495 0.87989201071764 0.03586339878634 174.967 > 13 31 Lu 0.63539372028144 0.06569034674983 0.33735224629686 174.967 > 15 32 Lu 0.63539372028144 0.56569034674983 0.33735224629686 174.967 > 15 33 Ge 0.68674121215752 0.29843945150591 0.30905714672269 72.640 > 33 34 Ge 0.68674121215752 0.79843945150591 0.30905714672269 72.640 > 33 35 Ge 0.81325878784248 0.04843945150591 0.19094285327731 72.640 > 35 36 Ge 0.81325878784248 0.54843945150591 0.19094285327731 72.640 > 35 37 Ge 0.18674121215752 0.45156054849409 0.80905714672269 72.640 > 37 38 Ge 0.18674121215752 0.95156054849409 0.80905714672269 72.640 > 37 39 Ge 0.31325878784248 0.20156054849409 0.69094285327731 72.640 > 39 40 Ge 0.31325878784248 0.70156054849409 0.69094285327731 72.640 > 39 41 Ge 0.18674121215752 0.04843945150591 0.30905714672269 72.640 > 33 42 Ge 0.18674121215752 0.54843945150591 0.30905714672269 72.640 > 33 43 Ge 0.31325878784248 0.29843945150591 0.19094285327731 72.640 > 35 44 Ge 0.31325878784248 0.79843945150591 0.19094285327731 72.640 > 35 45 Ge 0.68674121215752 0.20156054849409 0.80905714672269 72.640 > 37 46 Ge 0.68674121215752 0.70156054849409 0.80905714672269 72.640 > 37 47 Ge 0.81325878784248 0.45156054849409 0.69094285327731 72.640 > 39 48 Ge 0.81325878784248 0.95156054849409 0.69094285327731 72.640 > 39 49 O 0.58191456480359 0.25310826785200 0.12982015456268 15.999 > 49 50 O 0.58191456480359 0.75310826785200 0.12982015456268 15.999 > 49 51 O 0.79382389279726 0.03811331689676 0.54847845490213 15.999 > 51 52 O 0.79382389279726 0.53811331689676 0.54847845490213 15.999 > 51 53 O 0.88449174530575 0.34813491028199 0.67598751880576 15.999 > 53 54 O 0.88449174530575 0.84813491028199 0.67598751880576 15.999 > 53 55 O 0.69249324530430 0.07897769388531 0.17556150715051 15.999 > 55 56 O 0.69249324530430 0.57897769388531 0.17556150715051 15.999 > 55 57 O 0.80750675469570 0.32897769388531 0.32443849284949 15.999 > 57 58 O 0.80750675469570 0.82897769388531 0.32443849284949 15.999 > 57 59 O 0.01730146532194 0.19992293167894 0.89837674545471 15.999 > 59 60 O 0.01730146532194 0.69992293167894 0.89837674545471 15.999 > 59 61 O 0.98269853467806 0.19992293167894 0.60162325454529 15.999 > 61 62 O 0.98269853467806 0.69992293167894 0.60162325454529 15.999 > 61 63 O 0.91808543519641 0.00310826785200 0.37017984543732 15.999 > 63 64 O 0.91808543519641 0.50310826785200 0.37017984543732 15.999 > 63 65 O 0.79382389279726 0.46188668310324 0.04847845490214 15.999 > 65 66 O 0.79382389279726 0.96188668310324 0.04847845490214 15.999 > 65 67 O 0.11550825469425 0.34813491028199 0.82401248119424 15.999 > 67 68 O 0.11550825469425 0.84813491028199 0.82401248119424 15.999 > 67 69 O 0.88449174530575 0.15186508971801 0.17598751880576 15.999 > 69 70 O 0.88449174530575 0.65186508971801 0.17598751880576 15.999 > 69 71 O 0.20617610720274 0.03811331689676 0.95152154509787 15.999 > 71 72 O 0.20617610720274 0.53811331689676 0.95152154509787 15.999 > 71 73 O 0.08191456480358 0.49689173214800 0.62982015456268 15.999 > 73 74 O 0.08191456480358 0.99689173214800 0.62982015456268 15.999 > 73 75 O 0.01730146532194 0.30007706832106 0.39837674545471 15.999 > 75 76 O 0.01730146532194 0.80007706832106 0.39837674545471 15.999 > 75 77 O 0.98269853467806 0.30007706832106 0.10162325454529 15.999 > 77 78 O 0.98269853467806 0.80007706832106 0.10162325454529 15.999 > 77 79 O 0.19249324530430 0.17102230611469 0.67556150715051 15.999 > 79 80 O 0.19249324530430 0.67102230611469 0.67556150715051 15.999 > 79 81 O 0.30750675469570 0.42102230611469 0.82443849284949 15.999 > 81 82 O 0.30750675469570 0.92102230611469 0.82443849284949 15.999 > 81 83 O 0.11550825469425 0.15186508971801 0.32401248119424 15.999 > 83 84 O 0.11550825469425 0.65186508971801 0.32401248119424 15.999 > 83 85 O 0.20617610720274 0.46188668310324 0.45152154509787 15.999 > 85 86 O 0.20617610720274 0.96188668310324 0.45152154509787 15.999 > 85 87 O 0.41808543519642 0.24689173214800 0.87017984543732 15.999 > 87 88 O 0.41808543519642 0.74689173214800 0.87017984543732 15.999 > 87 89 O 0.08191456480358 0.00310826785200 0.12982015456268 15.999 > 49 90 O 0.08191456480358 0.50310826785200 0.12982015456268 15.999 > 49 91 O 0.29382389279726 0.28811331689676 0.54847845490213 15.999 > 51 92 O 0.29382389279726 0.78811331689676 0.54847845490213 15.999 > 51 93 O 0.38449174530575 0.09813491028199 0.67598751880576 15.999 > 53 94 O 0.38449174530575 0.59813491028199 0.67598751880576 15.999 > 53 95 O 0.19249324530430 0.32897769388531 0.17556150715051 15.999 > 55 96 O 0.19249324530430 0.82897769388531 0.17556150715051 15.999 > 55 97 O 0.30750675469570 0.07897769388531 0.32443849284949 15.999 > 57 98 O 0.30750675469570 0.57897769388531 0.32443849284949 15.999 > 57 99 O 0.51730146532194 0.44992293167894 0.89837674545471 15.999 > 59 100 O 0.51730146532194 0.94992293167894 0.89837674545471 15.999 > 59 101 O 0.48269853467806 0.44992293167894 0.60162325454529 15.999 > 61 102 O 0.48269853467806 0.94992293167894 0.60162325454529 15.999 > 61 103 O 0.41808543519642 0.25310826785200 0.37017984543732 15.999 > 63 104 O 0.41808543519642 0.75310826785200 0.37017984543732 15.999 > 63 105 O 0.29382389279726 0.21188668310324 0.04847845490214 15.999 > 65 106 O 0.29382389279726 0.71188668310324 0.04847845490214 15.999 > 65 107 O 0.61550825469425 0.09813491028199 0.82401248119424 15.999 > 67 108 O 0.61550825469425 0.59813491028199 0.82401248119424 15.999 > 67 109 O 0.38449174530575 0.40186508971801 0.17598751880576 15.999 > 69 110 O 0.38449174530575 0.90186508971801 0.17598751880576 15.999 > 69 111 O 0.70617610720274 0.28811331689676 0.95152154509787 15.999 > 71 112 O 0.70617610720274 0.78811331689676 0.95152154509787 15.999 > 71 113 O 0.58191456480359 0.24689173214800 0.62982015456268 15.999 > 73 114 O 0.58191456480359 0.74689173214800 0.62982015456268 15.999 > 73 115 O 0.51730146532194 0.05007706832106 0.39837674545471 15.999 > 75 116 O 0.51730146532194 0.55007706832106 0.39837674545471 15.999 > 75 117 O 0.48269853467806 0.05007706832106 0.10162325454529 15.999 > 77 118 O 0.48269853467806 0.55007706832106 0.10162325454529 15.999 > 77 119 O 0.69249324530430 0.42102230611469 0.67556150715051 15.999 > 79 120 O 0.69249324530430 0.92102230611469 0.67556150715051 15.999 > 79 121 O 0.80750675469570 0.17102230611469 0.82443849284949 15.999 > 81 122 O 0.80750675469570 0.67102230611469 0.82443849284949 15.999 > 81 123 O 0.61550825469425 0.40186508971801 0.32401248119424 15.999 > 83 124 O 0.61550825469425 0.90186508971801 0.32401248119424 15.999 > 83 125 O 0.70617610720274 0.21188668310324 0.45152154509787 15.999 > 85 126 O 0.70617610720274 0.71188668310324 0.45152154509787 15.999 > 85 127 O 0.91808543519641 0.49689173214800 0.87017984543732 15.999 > 87 128 O 0.91808543519641 0.99689173214800 0.87017984543732 15.999 > 87 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.7684393 0.0000000 0.0412609 0.0000000 3.6665971 0.0000000 0.0412735 0.0000000 3.7218033 -------------------------- Born effective charges -------------------------- 1 Lu 3.8811160 0.4922458 -0.0604314 0.4555078 3.6538862 0.1810099 0.2338372 0.0945143 3.6526877 2 Lu 3.4343195 -0.1836453 -0.0580610 -0.1255989 3.6785003 -0.1074948 -0.2090168 0.0197060 3.8865005 3 Lu 3.4343195 0.1836453 -0.0580610 0.1255989 3.6785003 0.1074948 -0.2090168 -0.0197060 3.8865005 4 Lu 3.8811160 -0.4922458 -0.0604314 -0.4555078 3.6538862 -0.1810099 0.2338372 -0.0945143 3.6526877 5 Lu 3.8811160 -0.4922458 -0.0604314 -0.4555078 3.6538862 -0.1810099 0.2338372 -0.0945143 3.6526877 6 Lu 3.4343195 0.1836453 -0.0580610 0.1255989 3.6785003 0.1074948 -0.2090168 -0.0197060 3.8865005 7 Lu 3.4343195 -0.1836453 -0.0580610 -0.1255989 3.6785003 -0.1074948 -0.2090168 0.0197060 3.8865005 8 Lu 3.8811160 0.4922458 -0.0604314 0.4555078 3.6538862 0.1810099 0.2338372 0.0945143 3.6526877 9 Ge 3.4533129 -0.1367973 0.2433414 -0.0556959 3.1826280 -0.0485445 0.1317885 0.0013550 3.1342424 10 Ge 3.4533129 0.1367973 0.2433414 0.0556959 3.1826280 0.0485445 0.1317885 -0.0013550 3.1342424 11 Ge 3.4533129 0.1367973 0.2433414 0.0556959 3.1826280 0.0485445 0.1317885 -0.0013550 3.1342424 12 Ge 3.4533129 -0.1367973 0.2433414 -0.0556959 3.1826280 -0.0485445 0.1317885 0.0013550 3.1342424 13 O -1.4567145 0.3486725 -0.3676628 0.2631972 -2.3328839 -0.3352365 -0.4170915 -0.2295512 -2.2439701 14 O -1.4803082 -0.2093806 -0.3454885 -0.2402074 -2.3072373 0.1553498 -0.3399394 0.2931750 -2.3497089 15 O -2.0323486 0.3173589 0.1777243 0.4363378 -2.4951011 -0.1426349 0.2158461 -0.1634037 -1.8432399 16 O -2.9264561 0.2501685 0.0150007 0.3234232 -1.3462896 0.2015101 -0.0398978 0.1495490 -1.9598220 17 O -2.9264561 -0.2501685 0.0150007 -0.3234232 -1.3462896 -0.2015101 -0.0398978 -0.1495490 -1.9598220 18 O -2.8729209 -0.2261934 0.3955774 -0.2846158 -2.0335026 0.0478821 0.4244739 -0.0771375 -2.2766898 19 O -2.8729209 0.2261934 0.3955774 0.2846158 -2.0335026 -0.0478821 0.4244739 0.0771375 -2.2766898 20 O -1.4567145 -0.3486725 -0.3676628 -0.2631972 -2.3328839 0.3352365 -0.4170915 0.2295512 -2.2439701 21 O -1.4803082 0.2093806 -0.3454885 0.2402074 -2.3072373 -0.1553498 -0.3399394 -0.2931750 -2.3497089 22 O -2.0323486 -0.3173589 0.1777243 -0.4363378 -2.4951011 0.1426349 0.2158461 0.1634037 -1.8432399 23 O -2.0323486 -0.3173589 0.1777243 -0.4363378 -2.4951011 0.1426349 0.2158461 0.1634037 -1.8432399 24 O -1.4803082 0.2093806 -0.3454885 0.2402074 -2.3072373 -0.1553498 -0.3399394 -0.2931750 -2.3497089 25 O -1.4567145 -0.3486725 -0.3676628 -0.2631972 -2.3328839 0.3352365 -0.4170915 0.2295512 -2.2439701 26 O -2.8729209 0.2261934 0.3955774 0.2846158 -2.0335026 -0.0478821 0.4244739 0.0771375 -2.2766898 27 O -2.8729209 -0.2261934 0.3955774 -0.2846158 -2.0335026 0.0478821 0.4244739 -0.0771375 -2.2766898 28 O -2.9264561 -0.2501685 0.0150007 -0.3234232 -1.3462896 -0.2015101 -0.0398978 -0.1495490 -1.9598220 29 O -2.9264561 0.2501685 0.0150007 0.3234232 -1.3462896 0.2015101 -0.0398978 0.1495490 -1.9598220 30 O -2.0323486 0.3173589 0.1777243 0.4363378 -2.4951011 -0.1426349 0.2158461 -0.1634037 -1.8432399 31 O -1.4803082 -0.2093806 -0.3454885 -0.2402074 -2.3072373 0.1553498 -0.3399394 0.2931750 -2.3497089 32 O -1.4567145 0.3486725 -0.3676628 0.2631972 -2.3328839 -0.3352365 -0.4170915 -0.2295512 -2.2439701 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 309, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/140) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 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 1.610 ( 0.000 0.000 0.000) 0.000 1.970 ( 0.000 0.000 0.000) 0.000 2.101 ( 0.000 0.000 0.000) 0.000 2.235 ( 0.000 0.000 0.000) 0.000 2.437 ( 0.000 0.000 0.000) 0.000 2.655 ( 0.000 0.000 0.000) 0.000 2.656 ( 0.000 0.000 0.000) 0.000 2.669 ( 0.000 0.000 0.000) 0.000 3.049 ( 0.000 0.000 0.000) 0.000 3.178 ( 0.000 0.000 0.000) 0.000 3.265 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.629 ( 0.000 0.000 0.000) 0.000 3.731 ( 0.000 0.000 0.000) 0.000 3.867 ( 0.000 0.000 0.000) 0.000 3.954 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.177 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.360 ( 0.000 0.000 0.000) 0.000 4.418 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 4.840 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.661 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 5.827 ( 0.000 0.000 0.000) 0.000 5.842 ( 0.000 0.000 0.000) 0.000 5.910 ( 0.000 0.000 0.000) 0.000 6.025 ( 0.000 0.000 0.000) 0.000 6.383 ( 0.000 0.000 0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 7.688 ( 0.000 0.000 0.000) 0.000 7.939 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 8.025 ( 0.000 0.000 0.000) 0.000 8.233 ( 0.000 0.000 0.000) 0.000 8.253 ( 0.000 0.000 0.000) 0.000 8.531 ( 0.000 0.000 0.000) 0.000 8.666 ( 0.000 0.000 0.000) 0.000 9.292 ( 0.000 0.000 0.000) 0.000 9.415 ( 0.000 0.000 0.000) 0.000 9.717 ( 0.000 0.000 0.000) 0.000 9.723 ( 0.000 0.000 0.000) 0.000 10.135 ( 0.000 0.000 0.000) 0.000 10.397 ( 0.000 0.000 0.000) 0.000 10.653 ( 0.000 0.000 0.000) 0.000 10.765 ( 0.000 0.000 0.000) 0.000 11.087 ( 0.000 0.000 0.000) 0.000 11.158 ( 0.000 0.000 0.000) 0.000 11.363 ( 0.000 0.000 0.000) 0.000 11.475 ( 0.000 0.000 0.000) 0.000 11.705 ( 0.000 0.000 0.000) 0.000 11.904 ( 0.000 0.000 0.000) 0.000 12.008 ( 0.000 0.000 0.000) 0.000 12.283 ( 0.000 0.000 0.000) 0.000 12.319 ( 0.000 0.000 0.000) 0.000 12.601 ( 0.000 0.000 0.000) 0.000 12.787 ( 0.000 0.000 0.000) 0.000 13.546 ( 0.000 0.000 0.000) 0.000 13.624 ( 0.000 0.000 0.000) 0.000 13.659 ( 0.000 0.000 0.000) 0.000 13.729 ( 0.000 0.000 0.000) 0.000 13.926 ( 0.000 0.000 0.000) 0.000 14.573 ( 0.000 0.000 0.000) 0.000 14.672 ( 0.000 0.000 0.000) 0.000 15.092 ( 0.000 0.000 0.000) 0.000 16.543 ( 0.000 0.000 0.000) 0.000 17.400 ( 0.000 0.000 0.000) 0.000 17.679 ( 0.000 0.000 0.000) 0.000 18.434 ( 0.000 0.000 0.000) 0.000 20.910 ( 0.000 0.000 0.000) 0.000 21.453 ( 0.000 0.000 0.000) 0.000 21.460 ( 0.000 0.000 0.000) 0.000 21.508 ( 0.000 0.000 0.000) 0.000 21.696 ( 0.000 0.000 0.000) 0.000 22.048 ( 0.000 0.000 0.000) 0.000 22.955 ( 0.000 0.000 0.000) 0.000 23.008 ( 0.000 0.000 0.000) 0.000 23.274 ( 0.000 0.000 0.000) 0.000 23.561 ( 0.000 0.000 0.000) 0.000 23.710 ( 0.000 0.000 0.000) 0.000 23.718 ( 0.000 0.000 0.000) 0.000 23.760 ( 0.000 0.000 0.000) 0.000 24.052 ( 0.000 0.000 0.000) 0.000 24.308 ( 0.000 0.000 0.000) 0.000 24.508 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/140) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.412 ( 21.121 -15.590 -1.231) 26.280 0.574 ( 11.104 -24.887 13.611) 30.462 0.861 ( 20.298 -35.277 12.595) 42.604 1.671 ( -0.615 -8.987 2.447) 9.335 2.104 ( -7.677 -6.874 0.952) 10.349 2.153 ( -1.463 -14.298 -2.140) 14.531 2.287 ( 3.522 -3.520 -0.207) 4.984 2.466 ( -4.108 -6.025 0.013) 7.292 2.637 ( -5.718 -2.682 2.224) 6.696 2.690 ( -0.540 -2.230 2.649) 3.504 2.742 ( 7.884 -3.869 -4.171) 9.722 3.064 ( 2.731 0.412 1.447) 3.119 3.102 ( 1.080 7.911 0.724) 8.017 3.242 ( -1.311 -0.200 0.016) 1.326 3.281 ( 0.026 -0.075 -1.258) 1.260 3.647 ( -2.500 -1.891 2.369) 3.929 3.786 ( -3.111 4.339 -1.907) 5.669 3.829 ( -2.436 -6.189 -1.222) 6.763 3.910 ( -0.558 2.296 -3.207) 3.983 4.039 ( -2.198 4.958 -0.211) 5.427 4.123 ( -9.245 -0.635 -5.007) 10.533 4.325 ( 2.716 1.892 2.787) 4.327 4.383 ( 6.570 -1.759 -2.455) 7.231 4.541 ( 1.855 -6.585 -0.108) 6.842 4.763 ( -0.724 1.557 1.591) 2.342 4.829 ( 1.236 -3.432 -1.336) 3.885 5.101 ( -1.877 0.423 3.049) 3.605 5.145 ( -0.620 0.699 -1.266) 1.574 5.376 ( 1.578 9.807 2.129) 10.158 5.436 ( -1.632 3.747 -0.004) 4.087 5.653 ( -2.762 4.397 -1.380) 5.373 5.771 ( -3.044 2.503 3.079) 5.001 5.818 ( 1.539 2.068 -1.073) 2.792 5.863 ( 3.632 -1.448 -3.329) 5.135 5.931 ( 1.325 -6.851 1.093) 7.063 5.991 ( -2.602 1.096 1.462) 3.179 6.270 ( 9.938 -0.888 4.179) 10.818 6.803 ( -1.012 11.545 7.253) 13.672 6.911 ( -1.022 -2.669 -0.543) 2.909 6.974 ( -7.256 -1.678 -0.159) 7.449 7.692 ( 0.695 -0.049 -1.302) 1.477 7.868 ( -3.748 1.546 -5.705) 6.999 8.010 ( 2.768 1.306 1.069) 3.243 8.034 ( -2.411 -1.912 -1.545) 3.443 8.075 ( 0.847 -4.395 0.782) 4.544 8.210 ( 0.717 4.290 -0.693) 4.405 8.342 ( -1.424 -2.012 -0.768) 2.581 8.513 ( -2.884 -0.571 -2.770) 4.039 8.715 ( -1.250 0.375 14.458) 14.517 9.301 ( -3.452 -2.524 -0.041) 4.276 9.371 ( -2.675 2.253 -1.931) 3.995 9.690 ( 2.856 4.986 0.780) 5.799 9.728 ( 4.737 1.032 -0.812) 4.915 10.419 ( 3.231 -0.934 1.720) 3.777 10.630 ( -4.447 -12.757 -21.207) 25.144 10.752 ( -2.706 -0.200 2.786) 3.889 10.867 ( -7.127 -3.020 17.017) 18.694 11.159 ( 0.802 0.053 -0.396) 0.896 11.327 ( -11.412 -2.675 2.557) 11.997 11.452 ( -4.390 -7.181 -1.462) 8.543 11.678 ( -15.657 -2.432 7.781) 17.652 11.728 ( -9.657 -8.494 -23.937) 27.173 11.910 ( 0.062 0.149 0.714) 0.731 12.253 ( 1.722 3.935 2.560) 5.000 12.322 ( -0.470 -0.032 0.346) 0.585 12.561 ( 8.194 7.614 5.825) 12.611 12.651 ( 7.567 2.651 5.790) 9.891 13.346 ( -1.298 17.172 7.319) 18.712 13.406 ( -6.352 1.504 -1.253) 6.647 13.631 ( 7.689 7.042 5.550) 11.811 13.730 ( -8.672 -9.692 -4.045) 13.620 13.928 ( -1.704 0.704 5.880) 6.162 13.962 ( 5.984 -5.751 10.591) 13.455 14.439 ( -0.466 7.996 -2.603) 8.422 14.787 ( -3.951 -8.442 1.167) 9.393 15.550 ( -38.250 -15.719 5.907) 41.774 16.813 ( 61.876 24.889 -19.807) 69.573 17.425 ( 4.193 -0.918 -0.097) 4.293 18.400 ( 6.377 -1.915 -30.296) 31.019 18.452 ( 0.360 -2.025 -1.894) 2.796 20.914 ( -1.266 4.522 9.494) 10.592 21.417 ( 1.698 0.047 -7.950) 8.129 21.520 ( -1.501 3.230 15.210) 15.621 21.567 ( 0.751 -5.127 1.230) 5.325 21.718 ( 0.251 -2.073 1.778) 2.743 22.680 ( -37.114 -10.068 -11.223) 40.060 22.970 ( -3.629 -0.560 -3.747) 5.246 23.110 ( -10.023 -10.616 -0.729) 14.618 23.417 ( -6.953 -6.450 -0.866) 9.523 23.642 ( -0.249 -6.362 3.381) 7.209 23.703 ( -1.603 -2.230 -5.231) 5.908 23.794 ( 1.583 -0.517 6.550) 6.758 24.036 ( 0.270 1.533 -1.651) 2.269 24.286 ( 5.509 4.027 -2.877) 7.406 24.386 ( 55.746 29.598 12.808) 64.402 24.481 ( -1.143 2.066 -1.575) 2.838 ======================= Grid point 2 (3/140) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 18.906 -14.809 0.604) 24.023 1.118 ( 10.550 -22.655 12.114) 27.772 1.544 ( 9.859 -24.672 10.349) 28.513 1.909 ( -0.574 -15.073 2.136) 15.234 2.116 ( -5.571 -5.717 -2.360) 8.324 2.322 ( -3.305 -2.992 0.016) 4.458 2.453 ( -2.771 -17.665 -1.436) 17.938 2.591 ( -1.981 -6.434 3.933) 7.797 2.716 ( 0.130 -10.285 -1.228) 10.359 2.755 ( -1.524 -5.700 3.298) 6.760 2.863 ( 5.648 -4.438 -1.299) 7.300 2.988 ( 4.343 4.741 3.388) 7.268 3.119 ( 4.933 -0.238 0.730) 4.992 3.235 ( 0.492 2.291 -1.241) 2.652 3.273 ( -0.989 -2.787 -1.428) 3.284 3.606 ( -5.977 6.885 3.164) 9.650 3.693 ( -1.842 -3.468 -4.318) 5.837 3.825 ( -7.223 3.526 -7.011) 10.666 3.863 ( -3.609 -0.155 -2.369) 4.320 3.967 ( -2.372 0.464 -2.107) 3.206 4.075 ( -4.515 -3.524 -2.561) 6.274 4.372 ( 2.846 -0.787 4.956) 5.768 4.413 ( 5.651 1.749 -0.973) 5.995 4.658 ( -0.763 -1.985 0.613) 2.213 4.699 ( 4.489 2.287 2.970) 5.848 4.930 ( -0.445 -5.423 -0.577) 5.472 5.082 ( -4.705 -0.415 -0.972) 4.822 5.117 ( 1.632 3.840 -0.166) 4.176 5.240 ( 4.476 6.217 -0.711) 7.694 5.362 ( -1.289 2.786 0.755) 3.162 5.494 ( -3.587 8.635 0.339) 9.356 5.723 ( -2.667 2.913 -0.633) 4.000 5.807 ( 3.637 2.119 1.423) 4.443 5.903 ( 1.333 -1.343 -0.658) 2.003 5.953 ( 0.701 1.327 -2.640) 3.037 6.102 ( 0.297 -9.420 1.104) 9.489 6.341 ( 5.545 0.222 -1.893) 5.864 6.615 ( 2.696 13.319 6.728) 15.163 6.919 ( -7.236 -0.214 1.318) 7.358 6.950 ( -3.302 -2.274 -5.063) 6.459 7.677 ( -0.305 0.036 -4.537) 4.547 7.803 ( -2.862 1.287 -2.817) 4.217 7.952 ( -1.332 4.855 -1.645) 5.297 7.978 ( 0.497 7.907 1.882) 8.143 8.133 ( 3.297 1.227 -0.328) 3.533 8.222 ( 0.264 -6.311 -0.064) 6.316 8.351 ( -0.817 0.763 3.280) 3.465 8.492 ( -3.937 -1.015 -1.062) 4.203 8.768 ( -1.912 -1.071 8.202) 8.490 9.273 ( -4.788 -0.088 -1.167) 4.929 9.393 ( -1.990 -6.816 -0.131) 7.102 9.623 ( 5.325 7.097 2.510) 9.220 9.735 ( 5.121 1.900 -2.125) 5.861 10.499 ( 6.315 -2.915 3.342) 7.717 10.691 ( -4.244 -6.647 -11.107) 13.622 10.771 ( -1.662 -2.406 2.568) 3.892 10.957 ( -2.806 -4.717 8.887) 10.445 11.166 ( 0.864 -0.570 -1.529) 1.846 11.314 ( -4.471 -1.831 1.730) 5.132 11.491 ( 9.690 3.759 -7.501) 12.818 11.673 ( -14.428 -4.647 14.300) 20.839 11.690 ( -11.034 -8.936 -15.393) 20.942 11.893 ( 0.670 2.235 -0.198) 2.342 12.195 ( 1.337 5.455 2.170) 6.021 12.304 ( -0.245 2.014 -0.305) 2.051 12.538 ( 3.939 3.832 4.644) 7.195 12.694 ( 5.769 0.828 2.436) 6.317 13.092 ( -1.273 13.729 4.196) 14.412 13.333 ( -6.200 0.652 -2.407) 6.683 13.594 ( 3.804 5.708 4.406) 8.152 13.758 ( -9.206 -2.470 -2.312) 9.808 13.919 ( -3.812 0.056 4.495) 5.895 14.127 ( 5.414 -5.762 -0.752) 7.942 14.357 ( 4.710 1.695 -2.174) 5.457 14.862 ( -9.067 -5.471 1.399) 10.682 15.555 ( -15.078 -7.311 0.543) 16.766 16.760 ( 27.578 13.859 -7.946) 31.871 17.482 ( 5.821 -1.061 0.061) 5.917 18.318 ( 1.520 2.424 -13.612) 13.910 18.489 ( 0.695 -2.280 -0.227) 2.394 20.869 ( -0.840 3.407 4.158) 5.440 21.401 ( 2.679 0.871 -3.833) 4.757 21.532 ( -0.162 1.056 9.041) 9.103 21.654 ( -0.909 -5.149 -3.785) 6.454 21.792 ( 2.459 -2.908 7.196) 8.141 22.485 ( -19.892 1.140 -7.145) 21.167 22.952 ( 0.568 -0.125 -1.505) 1.614 23.225 ( -3.233 -8.606 1.555) 9.324 23.487 ( -3.486 -6.932 -1.059) 7.831 23.670 ( -2.609 -1.920 -5.003) 5.960 23.800 ( 1.242 -4.646 5.272) 7.136 23.853 ( 1.395 -1.811 6.069) 6.485 23.991 ( 0.634 2.774 -3.225) 4.301 24.242 ( 3.856 3.025 -4.577) 6.706 24.361 ( 20.993 13.531 5.477) 25.569 24.419 ( -1.017 3.072 -1.237) 3.464 ======================= Grid point 3 (4/140) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( 13.936 -10.660 1.389) 17.600 1.587 ( 8.478 -18.014 9.171) 21.920 1.901 ( -1.385 -10.603 7.074) 12.821 2.091 ( -1.165 -10.437 -6.679) 12.446 2.258 ( 2.523 -9.139 1.832) 9.656 2.337 ( -5.903 -3.122 0.371) 6.688 2.615 ( -7.142 -7.025 2.965) 10.448 2.650 ( 1.367 0.704 5.979) 6.174 2.836 ( 1.609 0.965 2.731) 3.313 2.918 ( 1.017 -10.082 0.189) 10.135 2.961 ( 0.008 -8.774 0.725) 8.804 3.013 ( 3.394 1.262 -2.742) 4.542 3.108 ( -2.463 3.690 -4.027) 5.991 3.260 ( 6.939 -4.179 0.767) 8.137 3.406 ( 7.635 -9.403 1.663) 12.226 3.486 ( -3.396 3.329 -0.257) 4.763 3.624 ( -6.533 5.379 -3.400) 9.120 3.755 ( -2.842 -6.054 -3.860) 7.722 3.834 ( 0.244 0.567 0.374) 0.722 3.964 ( -5.624 -4.914 -3.359) 8.189 4.093 ( -4.031 -1.032 0.873) 4.252 4.340 ( 1.660 3.854 -4.026) 5.816 4.457 ( 3.173 1.097 2.990) 4.496 4.591 ( -2.754 3.482 0.181) 4.443 4.795 ( 3.128 -2.373 4.678) 6.107 4.928 ( 1.908 4.686 0.035) 5.059 5.071 ( -2.431 -3.149 -1.065) 4.118 5.094 ( -1.220 -0.930 2.364) 2.818 5.228 ( 4.344 -1.035 -6.910) 8.227 5.315 ( -2.919 4.954 0.699) 5.792 5.393 ( 1.557 -0.079 3.504) 3.835 5.646 ( -1.402 2.602 -2.659) 3.976 5.772 ( 1.287 6.107 1.783) 6.491 5.887 ( -5.458 0.933 1.637) 5.774 5.933 ( 5.475 1.951 -7.001) 9.099 6.227 ( -1.078 -4.201 2.401) 4.957 6.333 ( 2.869 2.006 -3.027) 4.628 6.540 ( 7.507 3.672 6.888) 10.830 6.846 ( -9.169 0.333 -5.864) 10.889 6.914 ( -2.178 1.874 -0.666) 2.949 7.657 ( -1.456 -1.043 -4.697) 5.027 7.744 ( -1.183 2.711 -0.923) 3.099 7.830 ( -0.446 8.964 2.925) 9.439 7.867 ( 0.379 3.913 -0.645) 3.984 8.148 ( 3.636 -0.006 -1.899) 4.102 8.288 ( 0.510 0.353 1.781) 1.886 8.352 ( -0.484 -0.149 4.050) 4.081 8.474 ( -3.132 -0.529 -0.138) 3.179 8.783 ( -4.410 -0.698 1.977) 4.883 9.294 ( -1.759 -5.226 0.949) 5.595 9.476 ( 1.106 -1.572 -0.824) 2.091 9.583 ( 3.440 2.408 4.171) 5.919 9.728 ( 2.499 0.902 -2.701) 3.789 10.627 ( 5.373 -3.341 2.108) 6.669 10.692 ( -2.210 -2.858 -5.117) 6.264 10.821 ( -1.224 -3.845 1.479) 4.298 11.055 ( -1.651 -4.744 4.862) 6.991 11.167 ( 1.445 0.589 -2.846) 3.246 11.324 ( -1.408 -0.002 2.365) 2.752 11.437 ( 3.789 3.563 -5.812) 7.800 11.681 ( -0.431 -2.000 -2.560) 3.278 11.728 ( -11.871 -5.123 1.744) 13.046 11.884 ( -3.587 -3.065 3.646) 5.962 12.133 ( -0.479 3.018 2.463) 3.924 12.253 ( 4.761 4.595 -4.020) 7.742 12.527 ( 0.509 2.211 3.901) 4.513 12.698 ( 2.018 3.706 -1.213) 4.391 12.959 ( 5.203 5.868 6.969) 10.491 13.269 ( -6.133 -0.240 -4.110) 7.387 13.519 ( -7.057 4.837 4.916) 9.867 13.682 ( -1.238 2.357 -3.325) 4.259 13.927 ( -3.380 -1.821 1.969) 4.315 14.248 ( 7.949 -4.265 -3.350) 9.623 14.393 ( 3.369 -1.278 -0.318) 3.617 14.849 ( -10.449 -1.497 1.546) 10.669 15.570 ( -6.314 -4.165 -1.107) 7.645 16.702 ( 13.747 8.356 -3.397) 16.442 17.539 ( 4.658 -0.656 0.219) 4.709 18.228 ( 0.070 2.933 -6.619) 7.240 18.530 ( 0.743 -1.941 -0.129) 2.082 20.833 ( -0.420 2.014 2.271) 3.064 21.387 ( 1.854 1.467 -0.660) 2.455 21.569 ( 1.551 -0.535 5.256) 5.506 21.689 ( -2.118 -3.251 -4.682) 6.080 21.899 ( 2.796 -2.722 6.574) 7.645 22.301 ( -11.173 3.005 -4.279) 12.336 22.963 ( 1.156 -0.703 -0.447) 1.425 23.348 ( -1.650 -6.982 1.549) 7.339 23.577 ( -2.405 -6.663 -0.685) 7.117 23.660 ( -2.729 -1.877 -3.973) 5.172 23.856 ( 1.079 1.550 5.756) 6.058 23.926 ( 0.119 -1.311 0.266) 1.343 23.936 ( 3.189 2.013 0.027) 3.772 24.209 ( 1.222 0.617 -4.802) 4.994 24.309 ( 7.154 6.754 1.069) 9.896 24.366 ( 1.461 3.258 0.962) 3.698 ======================= Grid point 4 (5/140) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 4.973 -3.653 0.684) 6.209 1.909 ( 3.744 -11.437 2.456) 12.282 2.048 ( 0.400 -0.530 7.603) 7.631 2.170 ( 1.190 -6.172 -7.051) 9.446 2.292 ( -5.338 3.040 -0.087) 6.144 2.402 ( 0.714 -3.762 0.004) 3.829 2.666 ( -2.103 -4.168 4.284) 6.336 2.704 ( 0.744 -1.809 3.226) 3.773 2.779 ( 0.558 6.580 -1.294) 6.729 2.976 ( 1.450 1.960 1.157) 2.699 3.019 ( -3.752 -0.769 -0.130) 3.833 3.070 ( 0.649 -4.244 -2.019) 4.745 3.105 ( -0.241 -6.610 -0.265) 6.620 3.265 ( 1.407 7.640 -5.545) 9.544 3.410 ( -5.037 -3.360 3.879) 7.191 3.483 ( 1.411 1.626 -1.109) 2.422 3.770 ( 7.604 -6.666 -1.775) 10.267 3.800 ( 6.381 -2.863 2.454) 7.412 3.862 ( 1.563 -2.245 -1.173) 2.976 3.977 ( -10.572 -1.880 -0.199) 10.740 4.054 ( -2.365 1.107 1.572) 3.048 4.292 ( 0.718 0.242 -2.729) 2.832 4.432 ( 0.143 2.788 -0.698) 2.878 4.519 ( -2.891 1.903 0.419) 3.487 4.847 ( -0.556 -0.980 2.917) 3.128 4.904 ( 4.505 1.047 -1.491) 4.859 5.072 ( 0.536 1.644 0.580) 1.824 5.118 ( -2.475 -1.029 0.112) 2.683 5.239 ( -0.096 0.314 0.843) 0.905 5.268 ( 0.762 -1.637 -2.138) 2.798 5.459 ( 0.146 -3.932 1.240) 4.125 5.608 ( 0.106 0.030 -2.895) 2.897 5.649 ( -0.105 8.086 2.486) 8.461 5.855 ( -2.666 -0.314 1.969) 3.329 5.892 ( 2.220 2.169 -4.679) 5.615 6.250 ( 0.725 0.760 0.233) 1.076 6.336 ( 0.607 -0.723 -0.027) 0.944 6.608 ( 6.268 -0.321 5.378) 8.265 6.730 ( -6.923 1.226 -6.985) 9.911 6.876 ( -1.192 0.816 0.538) 1.542 7.645 ( -1.253 -0.783 -1.922) 2.424 7.697 ( -0.136 1.671 -0.196) 1.688 7.722 ( -0.282 3.966 1.369) 4.205 7.842 ( 1.151 0.625 0.272) 1.338 8.155 ( 0.629 -0.076 -1.981) 2.080 8.269 ( 0.715 2.247 2.391) 3.358 8.375 ( 0.275 -0.441 1.662) 1.741 8.466 ( -1.240 -0.478 -0.191) 1.342 8.764 ( -2.457 -0.267 -0.218) 2.481 9.384 ( -2.997 -6.226 -0.370) 6.919 9.457 ( 5.202 5.375 1.413) 7.612 9.619 ( 0.519 -1.454 1.773) 2.351 9.716 ( -0.300 0.224 -1.714) 1.754 10.638 ( -1.780 -0.426 -2.195) 2.858 10.753 ( 2.502 -0.870 1.971) 3.302 10.906 ( 0.875 -4.848 0.262) 4.934 11.107 ( -0.361 0.080 -1.440) 1.486 11.165 ( 2.164 -1.495 0.354) 2.654 11.285 ( -2.806 3.457 2.022) 4.890 11.407 ( 0.816 0.122 -1.783) 1.964 11.682 ( 0.541 0.108 -3.294) 3.340 11.733 ( -3.655 -1.698 2.969) 5.006 11.934 ( -2.203 -2.583 1.259) 3.621 12.122 ( -6.087 -1.949 5.224) 8.255 12.201 ( 8.963 4.254 -6.164) 11.680 12.500 ( -1.003 1.792 1.027) 2.296 12.638 ( -0.346 1.840 -0.192) 1.882 12.997 ( 7.628 1.320 4.949) 9.188 13.202 ( -6.415 -0.334 -4.176) 7.662 13.415 ( -5.060 2.154 2.076) 5.879 13.653 ( 1.694 0.864 -1.158) 2.226 13.936 ( -1.507 -0.712 0.620) 1.778 14.355 ( 6.943 -2.659 -1.803) 7.651 14.413 ( -1.672 0.101 0.158) 1.683 14.797 ( -5.106 0.244 0.813) 5.176 15.582 ( -1.778 -1.409 -0.656) 2.361 16.665 ( 4.260 2.859 -0.912) 5.211 17.572 ( 1.739 -0.199 0.127) 1.755 18.170 ( -0.093 1.237 -2.042) 2.390 18.558 ( 0.312 -0.762 -0.050) 0.825 20.817 ( -0.107 0.638 0.772) 1.007 21.377 ( 0.614 0.647 0.118) 0.900 21.609 ( 1.311 -0.374 2.072) 2.480 21.696 ( -1.221 -1.154 -2.052) 2.652 21.967 ( 0.815 -1.038 2.127) 2.503 22.192 ( -3.507 1.374 -1.228) 3.961 22.980 ( 0.548 -0.437 0.004) 0.701 23.431 ( -0.557 -2.880 0.530) 2.981 23.639 ( -1.772 -2.053 -1.510) 3.104 23.662 ( -0.920 -1.928 -0.207) 2.146 23.844 ( 0.363 1.495 1.637) 2.246 23.901 ( 0.567 0.803 -1.216) 1.564 23.972 ( 2.040 0.274 1.862) 2.776 24.186 ( 0.068 0.617 -2.146) 2.234 24.274 ( 1.041 1.441 0.033) 1.778 24.342 ( 1.087 1.222 0.619) 1.749 ======================= Grid point 10 (6/140) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( 21.873 0.000 16.973) 27.686 0.539 ( 33.397 0.000 2.555) 33.495 0.925 ( 39.347 0.000 28.062) 48.329 1.590 ( -2.734 -0.000 -0.155) 2.738 1.968 ( -0.609 -0.000 -0.355) 0.705 2.015 ( -10.486 -0.000 4.103) 11.261 2.309 ( 4.912 0.000 -0.456) 4.934 2.348 ( -10.098 -0.000 -0.031) 10.098 2.564 ( -7.345 -0.000 2.929) 7.907 2.692 ( 0.362 0.000 3.218) 3.239 2.758 ( 9.158 0.000 -3.957) 9.976 3.114 ( -3.593 -0.000 -6.903) 7.782 3.114 ( 5.903 0.000 3.615) 6.922 3.266 ( -1.495 -0.000 -1.136) 1.878 3.287 ( 0.764 0.000 1.904) 2.051 3.638 ( -4.397 -0.000 7.161) 8.403 3.682 ( -4.308 -0.000 -0.431) 4.329 3.875 ( -0.276 -0.000 -1.403) 1.430 3.918 ( -2.241 -0.000 -0.772) 2.370 3.973 ( -12.578 -0.000 -4.760) 13.449 4.060 ( -3.836 -0.000 -3.370) 5.106 4.330 ( 7.563 0.000 -6.486) 9.963 4.370 ( 0.538 0.000 1.027) 1.159 4.533 ( 9.575 0.000 1.506) 9.693 4.798 ( -3.758 -0.000 -0.434) 3.783 4.801 ( 5.715 0.000 2.070) 6.079 5.112 ( -4.883 -0.000 6.189) 7.883 5.130 ( 1.148 0.000 -0.448) 1.232 5.446 ( -3.622 -0.000 -1.342) 3.863 5.492 ( 1.636 0.000 3.327) 3.708 5.639 ( -4.737 -0.000 -0.666) 4.783 5.755 ( -5.807 -0.000 2.408) 6.287 5.806 ( 0.986 0.000 -1.675) 1.943 5.892 ( 10.389 0.000 -4.078) 11.160 5.959 ( 2.869 0.000 5.646) 6.333 6.004 ( -0.136 -0.000 -1.087) 1.096 6.419 ( 3.244 0.000 -0.286) 3.257 6.716 ( -13.381 -0.000 6.571) 14.907 6.857 ( -4.723 -0.000 -3.569) 5.920 7.143 ( -1.202 -0.000 15.738) 15.784 7.697 ( 1.710 0.000 -1.777) 2.467 7.817 ( -4.918 -0.000 -6.377) 8.053 7.942 ( -0.820 -0.000 -3.278) 3.379 8.011 ( 0.171 0.000 3.260) 3.265 8.138 ( 4.020 0.000 1.707) 4.367 8.233 ( 4.199 0.000 -4.403) 6.084 8.286 ( -0.751 -0.000 6.547) 6.590 8.468 ( -4.592 -0.000 -3.662) 5.874 8.777 ( -12.332 -0.000 20.363) 23.806 9.237 ( -6.997 -0.000 -0.529) 7.017 9.349 ( -4.737 -0.000 -1.883) 5.097 9.727 ( -2.478 -0.000 5.624) 6.146 9.767 ( 5.680 0.000 -1.749) 5.943 10.138 ( 0.360 0.000 1.807) 1.842 10.469 ( 7.172 0.000 1.175) 7.267 10.726 ( -9.307 -0.000 9.632) 13.393 10.855 ( -7.323 -0.000 16.427) 17.985 11.085 ( -0.788 -0.000 1.818) 1.982 11.162 ( -0.272 -0.000 -0.299) 0.404 11.331 ( -6.734 -0.000 4.082) 7.875 11.595 ( 8.225 0.000 -18.363) 20.120 11.741 ( 5.717 0.000 -1.212) 5.844 11.922 ( 1.248 0.000 1.202) 1.733 12.276 ( -1.126 -0.000 -0.376) 1.188 12.359 ( 3.273 0.000 3.297) 4.646 12.655 ( 3.804 0.000 5.087) 6.352 12.780 ( -0.151 -0.000 -0.801) 0.815 13.423 ( -8.632 -0.000 -3.440) 9.292 13.492 ( -1.249 -0.000 1.780) 2.175 13.586 ( -6.629 -0.000 3.509) 7.500 13.772 ( 8.960 0.000 0.876) 9.003 13.944 ( -0.064 -0.000 3.785) 3.786 14.119 ( -19.890 -0.000 37.663) 42.592 14.482 ( -9.620 -0.000 -3.041) 10.089 14.662 ( -7.446 -0.000 4.360) 8.628 15.025 ( -7.870 -0.000 -1.035) 7.938 17.456 ( 5.108 0.000 3.166) 6.009 17.721 ( 6.401 0.000 -1.900) 6.677 18.006 ( 64.929 0.000 -109.580) 127.372 18.443 ( 1.404 0.000 -0.385) 1.456 21.034 ( -8.614 -0.000 10.836) 13.842 21.390 ( 1.885 0.000 -7.180) 7.423 21.575 ( 0.261 0.000 14.096) 14.099 21.629 ( -13.836 -0.000 21.610) 25.660 21.743 ( -3.727 -0.000 14.820) 15.282 22.049 ( 0.054 0.000 0.512) 0.515 22.967 ( 1.472 0.000 0.388) 1.522 23.004 ( -0.751 -0.000 0.005) 0.752 23.269 ( -2.405 -0.000 -12.359) 12.591 23.638 ( -2.929 -0.000 -6.686) 7.300 23.643 ( 2.581 0.000 8.314) 8.705 23.835 ( 1.750 0.000 7.053) 7.267 24.040 ( 0.439 0.000 -3.081) 3.112 24.278 ( -1.457 -0.000 -3.688) 3.965 24.473 ( -2.267 -0.000 -3.377) 4.067 25.220 ( 14.948 0.000 -19.353) 24.454 ======================= Grid point 11 (7/140) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 27.373 -8.238 2.461) 28.691 0.951 ( 18.640 -15.901 13.522) 27.984 1.403 ( 17.446 -12.224 19.269) 28.724 1.713 ( 3.357 -11.200 5.985) 13.135 1.987 ( -4.289 -4.038 0.904) 5.960 2.109 ( -3.026 -16.090 -2.151) 16.513 2.255 ( -5.783 -0.384 0.266) 5.802 2.444 ( 0.823 -9.323 3.570) 10.017 2.566 ( -5.789 -5.074 2.133) 7.988 2.720 ( -0.277 -1.439 2.943) 3.288 2.834 ( 8.226 -3.104 -2.796) 9.226 3.064 ( -2.276 -0.961 -5.846) 6.346 3.186 ( 4.756 2.048 1.585) 5.415 3.224 ( 0.053 -0.794 2.803) 2.914 3.265 ( 0.528 2.473 -1.742) 3.071 3.599 ( -6.662 1.737 1.497) 7.046 3.662 ( -8.614 0.951 0.356) 8.674 3.785 ( -5.358 3.559 -5.017) 8.158 3.853 ( -1.214 2.916 0.471) 3.194 3.948 ( -3.588 -4.428 -5.637) 8.016 4.008 ( -0.756 1.428 0.020) 1.616 4.380 ( -0.653 -1.004 3.201) 3.418 4.416 ( 4.613 -4.486 -5.860) 8.703 4.604 ( 1.071 -2.150 -4.555) 5.150 4.782 ( 3.260 0.753 6.073) 6.933 4.879 ( 5.593 -1.876 0.361) 5.910 5.074 ( -4.944 2.691 2.449) 6.139 5.145 ( 2.288 -0.207 -1.070) 2.534 5.377 ( -3.832 3.373 -1.375) 5.287 5.440 ( 1.739 7.544 2.089) 8.019 5.556 ( -6.477 4.470 0.397) 7.880 5.709 ( -4.343 0.444 -3.923) 5.869 5.838 ( 1.223 -0.713 -0.823) 1.637 5.951 ( 6.364 -2.200 -2.619) 7.225 5.996 ( 2.704 2.794 4.188) 5.715 6.005 ( 4.928 -0.414 4.415) 6.629 6.389 ( 4.398 2.508 -2.658) 5.718 6.753 ( -10.958 -8.227 -6.602) 15.210 6.801 ( -5.596 0.540 1.817) 5.908 7.028 ( 4.503 14.689 10.557) 18.641 7.659 ( -1.547 2.364 -5.782) 6.436 7.778 ( 0.128 -0.737 -2.092) 2.221 7.966 ( -1.249 -1.168 -2.997) 3.451 8.070 ( -0.424 -6.691 2.312) 7.092 8.116 ( 2.755 4.481 1.383) 5.439 8.218 ( 1.615 3.872 -1.652) 4.509 8.363 ( 1.262 -2.606 4.687) 5.510 8.423 ( -5.159 -1.409 -2.654) 5.971 8.761 ( -8.333 -0.190 7.953) 11.521 9.207 ( -8.377 -2.541 0.602) 8.775 9.316 ( -3.215 -0.949 2.980) 4.485 9.759 ( 5.384 2.072 -1.323) 5.919 9.802 ( 3.913 0.571 1.166) 4.123 10.341 ( -7.998 -17.201 -3.655) 19.319 10.558 ( 7.062 -3.105 1.412) 7.842 10.726 ( -5.853 -2.393 5.930) 8.669 10.901 ( -3.817 -2.998 8.439) 9.735 11.143 ( -3.313 -1.850 -1.300) 4.011 11.190 ( -3.539 -8.367 2.044) 9.312 11.317 ( -10.162 -3.928 3.635) 11.485 11.559 ( 7.606 1.223 -15.630) 17.425 11.747 ( 5.473 4.271 1.455) 7.093 11.930 ( 1.890 1.085 -0.391) 2.214 12.246 ( -2.640 1.672 -0.779) 3.221 12.381 ( 4.184 3.085 4.471) 6.857 12.683 ( 4.629 5.264 4.127) 8.134 12.760 ( 3.878 0.518 2.742) 4.778 13.260 ( -6.586 6.784 -3.610) 10.121 13.404 ( -4.070 11.802 7.846) 14.745 13.597 ( -4.007 -7.597 -3.597) 9.312 13.784 ( 4.361 8.652 5.596) 11.189 13.949 ( -2.130 2.333 5.577) 6.410 14.092 ( 1.940 -0.995 4.237) 4.765 14.364 ( -4.859 0.595 -3.434) 5.980 14.687 ( -10.064 -6.329 1.116) 11.941 15.177 ( -18.973 -18.928 1.194) 26.827 17.323 ( 28.168 27.415 -13.279) 41.489 17.543 ( 12.536 1.587 -2.983) 12.983 18.195 ( 8.171 -9.180 -31.041) 33.386 18.465 ( 1.641 -1.329 -0.285) 2.131 20.958 ( -3.267 5.186 6.316) 8.801 21.404 ( 3.721 -1.895 -5.382) 6.812 21.600 ( -3.476 2.366 10.561) 11.367 21.601 ( -0.888 1.483 5.689) 5.946 21.818 ( 4.005 -2.533 12.039) 12.938 22.223 ( -14.638 -11.296 0.103) 18.489 22.953 ( 0.744 0.773 -0.600) 1.229 23.080 ( -0.730 -6.923 0.715) 6.998 23.274 ( -3.179 -9.211 -11.128) 14.791 23.591 ( -3.841 -1.401 -6.650) 7.806 23.738 ( 1.876 -4.180 7.076) 8.430 23.883 ( 1.309 -0.332 6.617) 6.754 24.016 ( 1.138 1.455 -4.072) 4.471 24.238 ( -1.801 0.797 -4.794) 5.182 24.422 ( -2.525 1.392 -4.359) 5.227 24.975 ( 19.211 25.690 0.219) 32.079 ======================= Grid point 12 (8/140) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 23.800 -8.124 2.036) 25.231 1.411 ( 11.129 -17.372 10.925) 23.345 1.770 ( 1.549 -10.577 13.875) 17.515 1.873 ( -0.314 -11.533 -1.705) 11.662 2.148 ( 4.137 -9.818 3.762) 11.299 2.199 ( -8.043 -4.513 -0.684) 9.248 2.400 ( -5.726 -12.883 2.237) 14.275 2.639 ( -1.566 -9.322 5.730) 11.054 2.691 ( 1.486 -10.078 1.407) 10.284 2.769 ( -0.738 -4.898 -0.454) 4.974 2.953 ( 4.134 -2.721 4.381) 6.610 3.041 ( 1.131 0.668 -3.543) 3.779 3.118 ( -1.583 2.864 -7.349) 8.045 3.257 ( 4.644 -2.871 0.318) 5.469 3.349 ( 8.362 -5.381 2.985) 10.382 3.521 ( -7.149 6.015 -2.118) 9.579 3.561 ( -6.501 -3.492 -6.531) 9.855 3.638 ( -5.857 2.160 -0.128) 6.244 3.847 ( -3.523 -2.319 -0.096) 4.219 3.925 ( 3.523 3.671 0.344) 5.100 4.045 ( -0.654 -3.217 1.262) 3.517 4.382 ( 0.655 1.422 -2.207) 2.705 4.486 ( 1.242 -1.423 1.105) 2.188 4.574 ( -6.238 -0.401 -5.002) 8.006 4.844 ( 4.195 1.582 5.574) 7.154 4.939 ( -2.329 -3.917 0.371) 4.572 5.004 ( 2.539 2.509 -1.044) 3.719 5.151 ( 1.427 0.833 -1.349) 2.133 5.267 ( -0.407 5.755 -1.834) 6.054 5.370 ( 1.593 4.592 1.597) 5.116 5.444 ( -2.545 3.082 2.871) 4.922 5.638 ( -3.417 1.152 -6.920) 7.803 5.839 ( 0.945 1.593 0.874) 2.048 5.931 ( -0.023 5.531 1.969) 5.872 6.012 ( 8.073 1.944 -3.118) 8.870 6.108 ( -1.165 -6.409 1.719) 6.737 6.371 ( 3.439 1.569 -4.345) 5.759 6.704 ( -4.328 1.731 -0.578) 4.697 6.766 ( -6.065 1.010 -0.475) 6.167 6.928 ( 2.496 5.022 5.249) 7.681 7.593 ( -2.380 -0.044 -5.700) 6.177 7.778 ( 1.761 1.389 -1.052) 2.477 7.925 ( -0.777 3.053 -0.288) 3.163 8.014 ( 1.816 9.648 0.771) 9.847 8.170 ( 2.353 1.047 -2.331) 3.474 8.215 ( -1.227 -7.525 0.154) 7.626 8.375 ( -3.574 0.735 3.346) 4.951 8.436 ( -2.064 -1.310 1.631) 2.938 8.733 ( -6.545 -1.567 0.525) 6.751 9.206 ( -5.286 -3.572 1.556) 6.567 9.381 ( -1.625 -5.542 5.995) 8.324 9.735 ( 5.684 3.940 -3.301) 7.663 9.802 ( 6.785 4.939 2.381) 8.724 10.498 ( -4.493 -9.816 -4.852) 11.836 10.663 ( 4.129 -3.167 2.365) 5.716 10.769 ( -3.304 -3.413 5.201) 7.044 10.973 ( -2.107 -4.713 3.994) 6.527 11.143 ( -1.125 -1.981 -3.161) 3.896 11.299 ( -0.436 -3.594 2.977) 4.687 11.347 ( -13.941 -10.195 -4.377) 17.817 11.546 ( 5.721 -1.303 -8.628) 10.434 11.711 ( 1.446 4.664 6.195) 7.888 11.908 ( 1.367 2.627 -0.069) 2.963 12.176 ( -4.422 2.853 -0.183) 5.265 12.369 ( 6.416 4.833 2.125) 8.309 12.623 ( 2.226 5.726 2.730) 6.723 12.793 ( 4.698 4.083 1.147) 6.330 13.113 ( -0.944 4.307 4.715) 6.456 13.250 ( -4.187 6.175 2.112) 7.754 13.598 ( -8.355 6.298 2.166) 10.684 13.690 ( 4.408 0.819 -2.978) 5.383 13.909 ( -1.895 1.592 2.980) 3.874 14.198 ( 6.397 -5.924 -3.928) 9.562 14.360 ( -1.335 -2.603 -2.063) 3.580 14.708 ( -11.888 -5.539 1.347) 13.184 15.318 ( -16.090 -13.899 0.301) 21.264 17.076 ( 22.759 20.205 -7.987) 31.464 17.598 ( 8.804 1.363 -0.228) 8.911 18.194 ( -0.463 -1.375 -13.002) 13.083 18.505 ( 1.507 -1.927 -0.235) 2.458 20.890 ( -1.408 3.621 3.719) 5.378 21.433 ( 4.371 0.724 -2.182) 4.939 21.573 ( -4.032 -0.481 1.920) 4.492 21.630 ( 1.750 -0.735 3.926) 4.361 21.948 ( 4.532 -1.198 12.511) 13.361 22.213 ( -10.191 -1.586 -0.705) 10.338 22.951 ( 0.153 -0.481 -1.314) 1.408 23.195 ( -2.396 -8.164 -2.018) 8.744 23.390 ( -3.084 -11.178 -5.413) 12.797 23.568 ( -3.962 -3.153 -5.877) 7.757 23.851 ( -0.139 -4.153 5.022) 6.518 23.912 ( -0.834 0.455 1.803) 2.038 23.986 ( 3.177 1.538 -0.654) 3.589 24.188 ( -1.448 0.631 -4.730) 4.987 24.358 ( -1.658 1.593 -4.351) 4.922 24.736 ( 15.637 20.867 5.697) 26.690 ======================= Grid point 13 (9/140) ======================= q-point: ( 0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.412 ( 13.372 -1.210 3.174) 13.797 1.756 ( 4.709 -12.094 4.400) 13.703 1.969 ( 4.499 -12.689 -0.471) 13.471 2.106 ( 4.035 -4.741 8.326) 10.396 2.217 ( -8.504 -5.306 0.711) 10.049 2.337 ( 3.793 -6.398 3.201) 8.097 2.526 ( -7.994 -8.757 3.377) 12.328 2.728 ( -2.322 -0.067 3.219) 3.970 2.825 ( -1.388 -4.674 -2.019) 5.278 2.890 ( -2.059 -11.585 -3.098) 12.167 2.938 ( -4.141 3.827 2.389) 6.124 3.031 ( 2.627 -0.012 -3.849) 4.660 3.054 ( 0.229 -0.254 -0.822) 0.890 3.303 ( -10.077 6.422 -6.097) 13.415 3.391 ( 7.962 -2.995 1.076) 8.575 3.507 ( 1.176 -1.745 -0.344) 2.132 3.601 ( -3.484 -10.345 -4.370) 11.758 3.773 ( 12.557 -11.049 3.675) 17.125 3.856 ( 0.013 -1.601 -1.745) 2.368 3.932 ( 3.099 0.954 7.422) 8.100 4.076 ( -1.698 -0.511 5.410) 5.693 4.311 ( 1.035 4.506 -6.737) 8.171 4.482 ( -1.176 3.496 0.422) 3.712 4.493 ( -5.793 0.085 -2.931) 6.493 4.843 ( -1.611 -0.097 1.694) 2.340 4.921 ( -2.815 1.523 -4.004) 5.126 5.075 ( 4.606 -3.398 4.298) 7.157 5.140 ( 0.351 0.042 -1.718) 1.754 5.218 ( -0.851 -0.689 -1.425) 1.797 5.265 ( -1.974 6.056 1.675) 6.587 5.449 ( 2.960 0.873 -0.151) 3.090 5.582 ( -1.290 -0.595 -4.423) 4.645 5.787 ( -0.674 5.790 2.943) 6.530 5.878 ( 1.934 1.726 1.105) 2.818 5.965 ( 3.917 6.207 -3.614) 8.181 6.201 ( -3.032 -6.037 -0.604) 6.782 6.342 ( 2.698 2.634 -4.423) 5.813 6.640 ( -7.344 0.473 -2.561) 7.792 6.721 ( 1.499 1.610 4.286) 4.818 6.906 ( 2.830 2.744 2.848) 4.863 7.569 ( -2.853 -2.321 -4.425) 5.754 7.745 ( 1.124 3.404 0.132) 3.587 7.856 ( 0.467 7.699 2.320) 8.055 7.888 ( 2.313 4.228 -0.537) 4.849 8.156 ( 1.880 0.442 -4.005) 4.447 8.292 ( -2.252 -0.788 1.320) 2.727 8.350 ( -5.246 0.027 2.551) 5.834 8.419 ( -4.069 -2.040 -1.745) 4.875 8.746 ( -0.033 -2.278 1.515) 2.736 9.251 ( -4.394 -4.937 -0.255) 6.614 9.487 ( -0.671 -3.621 4.808) 6.057 9.697 ( 2.778 2.365 -3.176) 4.837 9.779 ( 9.332 6.374 4.078) 12.015 10.558 ( -2.721 -4.108 -3.666) 6.141 10.746 ( -2.844 -2.834 4.212) 5.819 10.853 ( 4.132 -5.168 2.427) 7.048 11.050 ( -0.753 -4.162 -0.441) 4.253 11.158 ( 1.330 -1.583 -4.002) 4.505 11.313 ( -7.145 1.013 3.013) 7.820 11.380 ( -0.855 -3.370 -3.657) 5.046 11.603 ( 2.896 -5.299 -8.856) 10.719 11.703 ( -1.448 -0.477 7.127) 7.289 11.884 ( -2.195 0.144 4.318) 4.846 12.098 ( -5.647 1.775 1.627) 6.139 12.337 ( 8.829 5.987 -2.911) 11.058 12.557 ( 0.390 4.431 1.174) 4.600 12.704 ( -0.355 6.081 0.876) 6.154 13.112 ( -5.083 6.895 0.809) 8.605 13.169 ( 5.063 -2.009 7.822) 9.532 13.443 ( -2.424 4.342 -1.643) 5.237 13.701 ( 4.511 1.996 -1.818) 5.257 13.905 ( -1.336 -1.480 0.767) 2.137 14.321 ( 4.374 -5.119 -2.962) 7.356 14.368 ( -4.536 -1.625 -2.129) 5.268 14.719 ( -6.721 -4.414 0.573) 8.061 15.413 ( -12.710 -10.545 0.381) 16.519 16.898 ( 15.297 15.230 -3.688) 21.899 17.620 ( 5.424 2.440 0.040) 5.947 18.147 ( -2.559 -0.428 -5.800) 6.354 18.543 ( 1.034 -1.462 -0.150) 1.797 20.848 ( -0.576 2.339 2.256) 3.301 21.419 ( 1.846 2.839 0.638) 3.446 21.574 ( -2.684 -2.426 -2.793) 4.570 21.680 ( 2.591 -1.051 2.765) 3.932 22.026 ( 3.075 1.533 9.682) 10.274 22.171 ( -3.144 0.043 1.071) 3.322 22.955 ( -1.201 -1.428 -2.159) 2.854 23.291 ( -4.300 -8.205 -5.038) 10.545 23.524 ( -1.766 -8.530 -1.889) 8.914 23.586 ( -2.353 -4.562 -3.218) 6.058 23.867 ( -1.452 1.843 -1.418) 2.742 23.907 ( -1.181 -0.304 1.729) 2.116 24.014 ( 2.909 -0.218 3.183) 4.318 24.157 ( -0.743 -0.060 -3.499) 3.577 24.308 ( -0.574 1.158 -3.265) 3.511 24.558 ( 10.358 15.589 6.072) 19.677 ======================= Grid point 14 (10/140) ======================= q-point: ( 0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 2.394 5.480 2.778) 6.594 1.950 ( 3.241 -4.382 -3.244) 6.343 2.085 ( -0.137 4.098 -1.033) 4.228 2.189 ( -2.835 -5.353 -0.337) 6.067 2.280 ( 4.971 -2.546 10.743) 12.108 2.438 ( 2.258 -1.009 1.484) 2.885 2.626 ( -4.423 -5.530 0.222) 7.085 2.681 ( -3.344 -0.056 -1.966) 3.879 2.796 ( 1.020 5.788 -1.313) 6.022 2.881 ( -2.225 -4.447 -4.124) 6.460 3.021 ( -0.431 -0.655 -6.703) 6.749 3.085 ( -1.616 -7.815 1.768) 8.174 3.120 ( -3.921 -2.729 -0.369) 4.792 3.150 ( -2.318 -1.093 6.145) 6.658 3.479 ( -0.105 2.155 -2.691) 3.449 3.488 ( 7.847 -0.956 -0.382) 7.914 3.700 ( -8.764 -5.556 -0.028) 10.376 3.842 ( 3.951 2.108 -3.278) 5.550 3.895 ( -0.815 4.447 4.548) 6.413 4.057 ( 4.980 -2.873 4.241) 7.144 4.141 ( 10.370 2.698 7.822) 13.266 4.259 ( -0.794 -3.662 -5.206) 6.415 4.400 ( -4.456 0.959 0.605) 4.598 4.484 ( 2.173 -1.726 -2.044) 3.447 4.840 ( -3.448 -0.071 -4.486) 5.658 4.855 ( -2.171 -0.042 -1.405) 2.586 5.105 ( 0.915 4.060 2.198) 4.707 5.174 ( 3.988 0.573 1.104) 4.178 5.191 ( -6.644 -4.334 3.385) 8.625 5.241 ( 1.034 -0.853 -4.423) 4.622 5.462 ( 2.112 -2.124 -3.837) 4.868 5.560 ( -3.987 -0.029 -0.563) 4.026 5.701 ( 2.587 7.332 4.772) 9.123 5.884 ( -1.674 0.994 3.299) 3.831 5.902 ( 6.692 1.014 -2.187) 7.113 6.240 ( -0.815 0.195 -1.751) 1.941 6.289 ( -3.699 -1.308 -5.152) 6.476 6.574 ( -3.718 1.319 -0.946) 4.057 6.764 ( 0.606 -2.596 4.859) 5.542 6.911 ( 6.174 2.070 2.324) 6.915 7.588 ( -2.264 -4.120 -2.336) 5.250 7.699 ( 0.543 2.313 0.746) 2.490 7.766 ( 2.755 4.401 0.944) 5.277 7.851 ( 0.209 2.211 0.045) 2.221 8.160 ( 2.487 -1.460 -2.781) 4.006 8.211 ( -8.012 2.686 -1.270) 8.546 8.338 ( -3.920 -1.601 -0.560) 4.271 8.453 ( -0.143 -3.029 -0.334) 3.051 8.798 ( 3.533 -0.558 2.300) 4.253 9.289 ( -5.115 -4.978 -2.609) 7.600 9.501 ( -0.706 3.237 2.025) 3.883 9.668 ( 1.090 1.714 -1.508) 2.529 9.782 ( 8.820 4.402 4.387) 10.790 10.590 ( -2.977 -3.682 -1.697) 5.030 10.759 ( -2.507 0.098 3.824) 4.574 10.973 ( 4.421 -0.954 1.232) 4.687 11.090 ( 1.474 -2.605 -3.808) 4.843 11.167 ( 0.061 1.791 -3.625) 4.044 11.237 ( -5.640 -0.656 3.201) 6.518 11.402 ( -1.567 -0.646 1.988) 2.612 11.663 ( 6.923 -3.001 -10.800) 13.175 11.748 ( -0.624 -1.354 5.056) 5.271 11.925 ( -2.031 -3.958 2.804) 5.258 12.063 ( -8.094 -2.478 6.260) 10.528 12.256 ( 4.701 7.473 -5.845) 10.588 12.513 ( 3.123 1.984 -0.742) 3.774 12.642 ( -1.151 1.615 2.874) 3.492 12.947 ( -8.045 4.910 -2.579) 9.772 13.272 ( 1.585 -0.554 9.105) 9.259 13.440 ( 12.838 -1.022 -4.542) 13.656 13.672 ( 0.943 3.013 0.636) 3.221 13.937 ( 1.793 -1.765 -0.907) 2.674 14.321 ( -8.732 0.174 -0.304) 8.739 14.385 ( -1.908 -2.351 -1.803) 3.524 14.781 ( 3.123 -4.801 -1.062) 5.825 15.486 ( -9.938 -8.107 1.325) 12.894 16.761 ( 8.406 10.671 -1.178) 13.636 17.600 ( 1.845 3.080 -0.133) 3.593 18.130 ( -2.521 -2.237 -1.587) 3.725 18.563 ( 0.392 -0.207 -0.037) 0.445 20.823 ( -0.200 1.251 0.909) 1.560 21.388 ( 0.176 1.894 0.746) 2.043 21.571 ( -2.260 -1.108 -3.789) 4.548 21.723 ( 2.153 -0.510 1.914) 2.926 22.040 ( 2.844 4.832 6.270) 8.412 22.184 ( 1.628 -2.519 2.187) 3.712 22.958 ( -1.900 -1.437 -2.143) 3.204 23.349 ( -5.423 -6.466 -7.021) 10.978 23.622 ( 0.599 -4.765 -0.284) 4.811 23.647 ( -0.667 -4.138 -0.542) 4.226 23.821 ( -1.429 1.174 -1.974) 2.705 23.897 ( -1.680 0.560 1.934) 2.622 24.020 ( 1.771 4.125 1.507) 4.735 24.144 ( -0.976 -1.193 -1.764) 2.343 24.287 ( 0.360 -0.230 -1.229) 1.301 24.435 ( 5.418 9.352 4.650) 11.766 ======================= Grid point 15 (11/140) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( -4.484 12.183 0.645) 12.998 1.787 ( -4.170 15.321 -6.032) 16.986 2.042 ( 3.472 5.527 -1.950) 6.812 2.246 ( 1.268 -0.263 6.028) 6.165 2.362 ( 1.348 2.803 4.539) 5.502 2.405 ( 0.833 5.150 -1.980) 5.580 2.601 ( -1.533 -0.695 -1.940) 2.568 2.705 ( 1.771 -0.518 -2.614) 3.200 2.760 ( 0.892 -0.807 -3.747) 3.935 2.952 ( -1.900 -3.191 2.338) 4.389 2.999 ( -6.961 2.981 -4.950) 9.047 3.015 ( -1.259 -3.998 -2.299) 4.781 3.132 ( 1.669 2.532 1.999) 3.632 3.277 ( -3.191 -0.323 3.716) 4.909 3.434 ( 1.882 0.886 -4.473) 4.933 3.559 ( 4.137 -0.530 5.113) 6.598 3.628 ( -2.747 7.485 0.267) 7.978 3.767 ( 0.788 0.386 -1.500) 1.738 3.904 ( 2.106 0.812 3.600) 4.249 4.090 ( 1.028 2.482 6.332) 6.878 4.164 ( 8.836 2.923 -1.456) 9.420 4.291 ( -1.403 -1.810 0.045) 2.291 4.393 ( -4.972 -1.505 0.096) 5.196 4.541 ( 1.803 -2.639 -2.336) 3.959 4.776 ( -6.140 0.500 -3.213) 6.947 4.872 ( 5.047 -1.837 -1.616) 5.609 5.075 ( 0.784 2.102 0.744) 2.364 5.184 ( -5.290 -4.142 -0.397) 6.730 5.210 ( 4.822 2.050 0.273) 5.247 5.261 ( -0.282 -1.142 1.513) 1.916 5.424 ( -2.872 4.939 -1.320) 5.863 5.613 ( -1.562 -8.650 -1.933) 9.000 5.642 ( 0.910 1.852 1.524) 2.565 5.908 ( 0.624 -1.407 5.400) 5.615 5.948 ( 5.440 0.048 2.287) 5.901 6.198 ( -2.420 -1.002 -7.228) 7.688 6.285 ( -3.869 -2.404 -0.454) 4.578 6.507 ( -2.245 4.213 -0.411) 4.791 6.855 ( -0.734 -5.560 3.397) 6.557 6.951 ( 7.964 1.302 3.021) 8.617 7.640 ( -1.267 -4.109 -0.420) 4.320 7.707 ( 0.996 -2.176 0.827) 2.532 7.754 ( 1.762 -0.182 -0.028) 1.772 7.834 ( 1.257 -0.628 0.651) 1.548 8.117 ( -7.680 0.038 -2.141) 7.973 8.218 ( 2.467 -4.075 -2.115) 5.212 8.333 ( -2.431 -1.224 -1.027) 2.909 8.493 ( 1.562 -1.011 0.353) 1.894 8.822 ( 2.795 1.538 -0.562) 3.239 9.319 ( -5.736 -3.985 -1.641) 7.175 9.430 ( 1.307 3.921 0.427) 4.155 9.635 ( 0.373 2.599 -0.223) 2.636 9.777 ( 4.836 5.133 2.806) 7.590 10.575 ( -7.641 -0.034 -3.949) 8.601 10.784 ( 4.215 0.203 7.218) 8.362 10.926 ( 2.010 7.124 0.025) 7.402 11.084 ( -2.693 2.163 -5.083) 6.146 11.145 ( 0.479 -2.348 1.348) 2.750 11.286 ( -0.273 -4.064 -0.608) 4.119 11.403 ( -2.308 -0.279 2.069) 3.112 11.703 ( 3.627 -0.561 -3.076) 4.789 11.779 ( 2.635 -0.704 -0.361) 2.752 11.966 ( 2.099 -0.195 0.007) 2.108 12.130 ( -1.545 5.129 -2.214) 5.796 12.143 ( -3.359 -7.821 4.838) 9.791 12.508 ( 2.013 1.064 -2.264) 3.211 12.657 ( 0.222 -1.672 2.129) 2.716 12.832 ( -5.976 -0.167 -3.248) 6.804 13.316 ( 0.113 -1.103 4.888) 5.012 13.537 ( 11.411 1.797 -6.161) 13.091 13.681 ( 5.753 -2.698 4.371) 7.712 13.968 ( 3.806 0.209 -1.664) 4.159 14.241 ( -9.366 1.063 1.952) 9.626 14.358 ( -6.931 0.218 -1.635) 7.125 14.895 ( 7.814 -3.534 -1.492) 8.705 15.548 ( -6.486 -5.994 1.994) 9.054 16.657 ( 1.506 6.080 0.237) 6.269 17.549 ( -0.913 3.152 -0.248) 3.291 18.172 ( -1.633 -4.627 1.447) 5.116 18.555 ( -0.097 1.234 0.044) 1.238 20.812 ( 0.004 0.011 -0.311) 0.311 21.372 ( -0.466 0.243 0.879) 1.024 21.542 ( -1.798 0.414 -4.002) 4.407 21.749 ( 1.617 0.190 2.137) 2.687 21.959 ( 0.009 7.271 0.461) 7.285 22.315 ( 7.481 -6.297 5.185) 11.068 22.953 ( -1.591 -0.566 -0.973) 1.949 23.355 ( -4.569 -2.967 -7.370) 9.165 23.674 ( 1.741 1.774 -0.478) 2.531 23.696 ( 1.874 -2.102 1.793) 3.339 23.780 ( -3.388 0.442 -2.707) 4.359 23.897 ( -1.249 -0.643 1.274) 1.897 23.938 ( -1.674 4.041 0.167) 4.377 24.159 ( -1.625 -1.609 -0.254) 2.301 24.308 ( 2.010 -1.163 0.028) 2.322 24.364 ( 1.425 4.578 3.341) 5.844 ======================= Grid point 16 (12/140) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( -6.142 17.309 -0.368) 18.370 1.407 ( -3.910 22.472 -5.233) 23.403 1.859 ( -0.621 18.354 -2.408) 18.522 2.174 ( 0.807 14.599 1.413) 14.690 2.266 ( 3.343 5.588 5.050) 8.241 2.366 ( -0.034 1.095 -3.612) 3.774 2.616 ( 0.278 -1.170 -0.654) 1.369 2.680 ( 3.491 6.759 -1.135) 7.692 2.781 ( -0.719 -5.010 -2.670) 5.722 2.840 ( -5.148 6.290 -1.274) 8.228 2.947 ( -0.402 7.075 -0.117) 7.088 2.992 ( -1.942 7.974 0.844) 8.250 3.145 ( 1.027 1.733 -0.675) 2.124 3.172 ( -3.392 0.378 0.382) 3.435 3.371 ( 0.477 8.557 1.287) 8.667 3.488 ( 0.606 -5.300 -1.419) 5.520 3.723 ( 0.004 -4.988 0.606) 5.025 3.825 ( 3.290 -3.276 1.706) 4.946 3.910 ( 4.852 2.356 2.683) 6.024 4.088 ( 4.040 3.649 8.513) 10.105 4.170 ( 5.345 2.223 -0.219) 5.792 4.310 ( -7.804 0.728 -5.707) 9.696 4.333 ( -2.471 -2.038 -1.059) 3.374 4.589 ( -0.390 -4.471 -0.709) 4.544 4.701 ( -3.413 2.524 -1.602) 4.537 4.978 ( 6.103 -5.967 -0.723) 8.565 5.038 ( 0.250 2.006 -1.689) 2.634 5.168 ( 0.940 2.698 -0.664) 2.934 5.212 ( -4.119 5.042 6.560) 9.242 5.330 ( -0.049 -2.968 0.067) 2.970 5.343 ( -0.536 -6.642 -2.737) 7.204 5.671 ( 0.973 -3.942 -0.466) 4.087 5.717 ( -2.653 -4.859 -0.805) 5.594 5.952 ( -2.009 1.154 6.856) 7.236 5.974 ( 5.266 1.703 -0.663) 5.574 6.189 ( 0.023 -1.309 -5.490) 5.644 6.306 ( -2.955 -1.319 1.479) 3.558 6.424 ( -2.027 -0.940 -1.566) 2.728 6.938 ( 1.168 -2.757 -0.628) 3.060 7.005 ( 3.719 0.206 3.881) 5.379 7.682 ( -0.520 -1.238 1.082) 1.725 7.781 ( -0.096 -4.250 3.408) 5.449 7.809 ( 0.777 -6.913 -3.768) 7.911 7.909 ( 2.885 -4.936 1.704) 5.966 8.079 ( -4.072 -1.811 -0.955) 4.558 8.278 ( 0.764 -0.396 -0.199) 0.883 8.334 ( 0.210 -0.932 -1.124) 1.475 8.520 ( 1.940 -0.624 0.509) 2.100 8.777 ( -0.224 3.445 -3.998) 5.282 9.303 ( -1.489 0.431 1.475) 2.140 9.456 ( 1.516 -4.419 -0.616) 4.712 9.567 ( -0.170 6.293 -0.363) 6.306 9.718 ( -0.533 3.549 1.188) 3.781 10.477 ( -5.487 2.241 -2.938) 6.615 10.827 ( 0.499 4.683 -0.273) 4.718 10.851 ( 5.179 2.704 9.578) 11.219 10.994 ( -1.690 3.264 -8.107) 8.901 11.171 ( -0.371 -0.124 0.848) 0.934 11.341 ( 2.477 -2.007 -0.198) 3.194 11.401 ( -4.512 -1.591 1.756) 5.097 11.693 ( 0.917 1.884 -1.130) 2.381 11.840 ( 1.458 -3.785 0.769) 4.128 11.969 ( 8.550 3.344 -0.204) 9.183 12.073 ( -4.551 -2.510 -1.580) 5.432 12.284 ( 1.994 -5.969 4.151) 7.539 12.478 ( -0.848 1.473 -3.561) 3.946 12.653 ( -3.026 1.444 -0.605) 3.407 12.882 ( -0.536 -9.615 -1.505) 9.747 13.373 ( 2.343 -2.428 3.391) 4.783 13.516 ( 0.066 1.293 -3.743) 3.961 13.832 ( 10.667 -2.835 1.463) 11.134 13.965 ( 3.548 2.510 -2.009) 4.788 14.179 ( -2.991 2.189 2.648) 4.555 14.273 ( -10.350 -0.118 -1.206) 10.421 14.969 ( 5.612 0.835 -0.994) 5.760 15.615 ( -0.674 -4.677 1.136) 4.860 16.579 ( -4.851 2.232 1.321) 5.501 17.486 ( -1.791 2.817 -0.153) 3.342 18.266 ( -0.774 -6.102 3.071) 6.875 18.525 ( -0.190 2.161 0.082) 2.171 20.821 ( 0.134 -1.409 -0.967) 1.714 21.383 ( -0.559 -1.317 1.929) 2.402 21.498 ( -0.808 1.086 -4.147) 4.362 21.756 ( 0.807 1.980 3.486) 4.089 21.824 ( -0.837 7.061 -3.331) 7.852 22.539 ( 9.844 -8.893 5.714) 14.444 22.949 ( -0.760 -0.491 0.517) 1.042 23.320 ( -0.768 0.638 -4.764) 4.868 23.597 ( 1.360 7.526 -2.026) 7.911 23.719 ( -2.533 0.177 0.233) 2.550 23.750 ( -1.694 -1.003 0.152) 1.974 23.842 ( -2.608 2.260 -3.339) 4.803 23.954 ( -0.542 -3.063 2.026) 3.712 24.145 ( -3.291 2.014 0.291) 3.869 24.307 ( 1.647 2.577 1.382) 3.356 24.376 ( -0.025 -3.418 0.949) 3.547 ======================= Grid point 17 (13/140) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.657 ( 0.000 19.765 0.000) 19.765 0.957 ( 0.000 26.977 0.000) 26.977 1.397 ( 0.000 33.879 0.000) 33.879 1.895 ( 0.000 17.076 0.000) 17.076 2.239 ( 0.000 3.215 0.000) 3.215 2.295 ( 0.000 5.556 0.000) 5.556 2.493 ( 0.000 16.085 0.000) 16.085 2.598 ( 0.000 5.574 0.000) 5.574 2.695 ( 0.000 6.078 0.000) 6.078 2.793 ( 0.000 8.237 0.000) 8.237 2.807 ( 0.000 7.301 0.000) 7.301 2.920 ( -0.000 -9.608 -0.000) 9.608 3.070 ( 0.000 2.406 0.000) 2.406 3.237 ( -0.000 -2.473 -0.000) 2.473 3.299 ( 0.000 1.639 0.000) 1.639 3.638 ( -0.000 -10.580 -0.000) 10.580 3.722 ( 0.000 4.680 0.000) 4.680 3.879 ( -0.000 -2.038 -0.000) 2.038 3.938 ( -0.000 -3.649 -0.000) 3.649 4.055 ( 0.000 10.526 0.000) 10.526 4.172 ( -0.000 -0.760 -0.000) 0.760 4.240 ( -0.000 -3.478 -0.000) 3.478 4.365 ( -0.000 -1.191 -0.000) 1.191 4.628 ( 0.000 4.399 0.000) 4.399 4.682 ( -0.000 -6.409 -0.000) 6.409 4.948 ( 0.000 8.129 0.000) 8.129 5.114 ( 0.000 2.142 0.000) 2.142 5.145 ( 0.000 0.702 0.000) 0.702 5.169 ( -0.000 -11.838 -0.000) 11.838 5.373 ( -0.000 -3.789 -0.000) 3.789 5.519 ( -0.000 -11.019 -0.000) 11.019 5.739 ( -0.000 -0.742 -0.000) 0.742 5.758 ( -0.000 -4.981 -0.000) 4.981 5.905 ( 0.000 3.384 0.000) 3.384 5.987 ( -0.000 -0.249 -0.000) 0.249 6.088 ( 0.000 10.287 0.000) 10.287 6.283 ( 0.000 2.127 0.000) 2.127 6.567 ( -0.000 -13.491 -0.000) 13.491 6.954 ( 0.000 1.285 0.000) 1.285 7.022 ( 0.000 0.312 0.000) 0.312 7.694 ( -0.000 -0.212 -0.000) 0.212 7.855 ( -0.000 -3.146 -0.000) 3.146 7.928 ( -0.000 -6.589 -0.000) 6.589 8.017 ( -0.000 -4.776 -0.000) 4.776 8.106 ( -0.000 -3.098 -0.000) 3.098 8.218 ( 0.000 6.354 0.000) 6.354 8.352 ( -0.000 -0.620 -0.000) 0.620 8.541 ( -0.000 -0.136 -0.000) 0.136 8.703 ( 0.000 2.653 0.000) 2.653 9.330 ( -0.000 -3.116 -0.000) 3.116 9.414 ( 0.000 8.845 0.000) 8.845 9.570 ( -0.000 -7.069 -0.000) 7.069 9.695 ( -0.000 -0.606 -0.000) 0.606 10.417 ( 0.000 1.432 0.000) 1.432 10.769 ( 0.000 2.125 0.000) 2.125 10.828 ( 0.000 7.006 0.000) 7.006 10.898 ( 0.000 3.079 0.000) 3.079 11.163 ( 0.000 0.726 0.000) 0.726 11.371 ( 0.000 0.563 0.000) 0.563 11.424 ( -0.000 -3.582 -0.000) 3.582 11.673 ( 0.000 0.034 0.000) 0.034 11.888 ( -0.000 -1.385 -0.000) 1.385 12.010 ( 0.000 0.349 0.000) 0.349 12.114 ( -0.000 -6.302 -0.000) 6.302 12.397 ( -0.000 -3.378 -0.000) 3.378 12.402 ( 0.000 3.922 0.000) 3.922 12.612 ( 0.000 0.658 0.000) 0.658 13.078 ( -0.000 -13.827 -0.000) 13.827 13.467 ( 0.000 1.757 0.000) 1.757 13.471 ( -0.000 -5.427 -0.000) 5.427 13.905 ( -0.000 -0.649 -0.000) 0.649 13.911 ( 0.000 4.933 0.000) 4.933 14.069 ( 0.000 9.568 0.000) 9.568 14.303 ( -0.000 -7.578 -0.000) 7.578 14.929 ( 0.000 6.048 0.000) 6.048 15.702 ( -0.000 -4.205 -0.000) 4.205 16.528 ( 0.000 0.436 0.000) 0.436 17.436 ( 0.000 2.078 0.000) 2.078 18.375 ( -0.000 -5.635 -0.000) 5.635 18.488 ( 0.000 1.991 0.000) 1.991 20.852 ( -0.000 -2.380 -0.000) 2.380 21.423 ( -0.000 -2.636 -0.000) 2.636 21.460 ( 0.000 1.229 0.000) 1.229 21.675 ( 0.000 7.675 0.000) 7.675 21.747 ( 0.000 1.774 0.000) 1.774 22.756 ( -0.000 -7.880 -0.000) 7.880 22.977 ( -0.000 -2.678 -0.000) 2.678 23.305 ( 0.000 0.845 0.000) 0.845 23.465 ( 0.000 5.271 0.000) 5.271 23.698 ( -0.000 -0.336 -0.000) 0.336 23.766 ( 0.000 0.050 0.000) 0.050 23.773 ( 0.000 2.492 0.000) 2.492 24.007 ( -0.000 -2.601 -0.000) 2.601 24.028 ( 0.000 8.840 0.000) 8.840 24.298 ( -0.000 -0.106 -0.000) 0.106 24.440 ( -0.000 -3.518 -0.000) 3.518 ======================= Grid point 20 (14/140) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 18.438 0.000 15.903) 24.348 1.055 ( 31.007 0.000 2.761) 31.129 1.412 ( -4.985 -0.000 9.254) 10.511 1.726 ( 7.441 0.000 7.384) 10.483 1.906 ( -5.669 -0.000 -4.614) 7.309 2.011 ( 15.274 0.000 9.905) 18.204 2.212 ( -7.945 -0.000 4.268) 9.019 2.412 ( 6.736 0.000 6.100) 9.087 2.480 ( -6.473 -0.000 1.608) 6.670 2.713 ( -2.997 -0.000 4.263) 5.211 2.855 ( 7.752 0.000 -4.050) 8.746 2.957 ( -5.705 -0.000 -8.915) 10.584 3.186 ( -5.361 -0.000 -5.447) 7.643 3.279 ( 10.028 0.000 4.833) 11.132 3.294 ( -1.080 -0.000 -1.135) 1.567 3.576 ( -6.008 -0.000 0.671) 6.045 3.631 ( -11.104 -0.000 8.729) 14.124 3.793 ( -1.944 -0.000 -8.385) 8.607 3.830 ( -0.350 -0.000 -0.810) 0.882 3.872 ( -4.950 -0.000 -1.058) 5.062 4.026 ( 0.806 0.000 3.259) 3.357 4.338 ( 1.843 0.000 -7.980) 8.190 4.383 ( -0.888 -0.000 1.760) 1.971 4.555 ( -0.874 -0.000 -9.681) 9.721 4.852 ( 5.311 0.000 8.720) 10.210 4.928 ( 4.268 0.000 3.950) 5.816 5.088 ( -1.655 -0.000 2.370) 2.891 5.159 ( 3.182 0.000 -0.570) 3.232 5.350 ( -5.733 -0.000 -3.543) 6.740 5.484 ( -4.049 -0.000 -2.476) 4.746 5.596 ( 0.002 0.000 -0.469) 0.469 5.662 ( -3.978 -0.000 -2.297) 4.593 5.807 ( 1.690 0.000 -1.979) 2.602 5.962 ( 3.309 0.000 -2.706) 4.274 6.079 ( 3.272 0.000 7.601) 8.275 6.108 ( 8.247 0.000 5.794) 10.079 6.447 ( 2.290 0.000 -2.651) 3.503 6.521 ( -11.395 -0.000 -6.143) 12.946 6.748 ( -5.992 -0.000 -1.443) 6.163 7.279 ( 3.297 0.000 7.922) 8.581 7.659 ( -1.580 -0.000 -3.666) 3.992 7.779 ( 3.410 0.000 -0.802) 3.503 7.891 ( -0.813 -0.000 -4.230) 4.307 8.037 ( -1.299 -0.000 3.577) 3.806 8.171 ( -0.608 -0.000 0.497) 0.785 8.267 ( 4.224 0.000 -3.635) 5.573 8.353 ( -5.800 -0.000 -3.269) 6.658 8.359 ( 1.698 0.000 6.614) 6.829 8.710 ( -12.319 -0.000 4.745) 13.201 9.091 ( -10.585 -0.000 0.843) 10.619 9.314 ( -2.929 -0.000 7.744) 8.280 9.770 ( -1.939 -0.000 10.668) 10.843 9.817 ( 4.587 0.000 -4.797) 6.637 10.187 ( 4.560 0.000 -0.133) 4.562 10.596 ( 5.980 0.000 2.908) 6.650 10.684 ( -5.146 -0.000 5.019) 7.188 10.891 ( -1.499 -0.000 5.204) 5.416 11.080 ( -2.454 -0.000 -2.470) 3.482 11.157 ( 0.628 0.000 4.456) 4.500 11.246 ( -7.340 -0.000 1.403) 7.473 11.540 ( 4.506 0.000 -13.203) 13.951 11.853 ( 9.582 0.000 -0.609) 9.601 11.952 ( 2.413 0.000 -1.151) 2.673 12.224 ( -4.375 -0.000 -2.781) 5.184 12.479 ( 5.788 0.000 6.901) 9.007 12.780 ( 1.712 0.000 -0.882) 1.926 12.803 ( 7.071 0.000 7.883) 10.590 13.256 ( -7.919 -0.000 -4.733) 9.226 13.475 ( -0.756 -0.000 -3.958) 4.030 13.516 ( -6.536 -0.000 5.417) 8.489 13.913 ( 9.000 0.000 -0.037) 9.000 13.990 ( -0.009 -0.000 5.529) 5.529 14.181 ( -4.852 -0.000 14.195) 15.002 14.247 ( -14.495 -0.000 -6.355) 15.827 14.564 ( -7.636 -0.000 -0.237) 7.640 14.850 ( -13.283 -0.000 -0.906) 13.314 17.596 ( 7.932 0.000 4.211) 8.980 17.821 ( 8.643 0.000 -2.204) 8.920 17.938 ( 24.406 0.000 -47.567) 53.462 18.466 ( 2.036 0.000 -0.501) 2.097 21.000 ( -4.464 -0.000 3.184) 5.483 21.374 ( 2.987 0.000 -4.260) 5.203 21.629 ( -4.155 -0.000 7.092) 8.220 21.706 ( -1.527 -0.000 13.174) 13.262 21.852 ( -1.538 -0.000 16.190) 16.263 22.082 ( 2.657 0.000 4.344) 5.092 22.970 ( -2.715 -0.000 -3.780) 4.655 23.009 ( 2.809 0.000 1.551) 3.209 23.119 ( -0.249 -0.000 -12.284) 12.287 23.506 ( -5.475 -0.000 -8.135) 9.806 23.760 ( 2.606 0.000 7.569) 8.005 23.914 ( -0.180 -0.000 4.811) 4.815 24.023 ( 2.764 0.000 -3.427) 4.403 24.205 ( -2.208 -0.000 -5.272) 5.716 24.387 ( -3.057 -0.000 -5.329) 6.143 25.273 ( 6.660 0.000 -4.646) 8.120 ======================= Grid point 21 (15/140) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 16.193 -8.441 9.351) 20.516 1.354 ( 21.787 -6.140 6.562) 23.567 1.608 ( -0.496 -19.249 12.238) 22.816 1.740 ( -3.253 -1.231 -2.276) 4.157 1.929 ( -8.291 -10.093 -3.795) 13.602 2.194 ( 1.826 -0.694 5.360) 5.705 2.243 ( 6.266 -3.349 7.993) 10.695 2.476 ( -3.519 -5.420 -0.110) 6.463 2.594 ( 6.474 -7.599 4.088) 10.788 2.729 ( -2.434 -2.045 9.898) 10.396 2.921 ( -0.304 -8.242 -7.549) 11.181 2.951 ( 3.881 -3.128 -1.386) 5.173 3.097 ( -5.712 1.472 -6.570) 8.829 3.253 ( -1.219 1.179 -1.532) 2.285 3.389 ( 9.541 -0.194 1.328) 9.635 3.503 ( -3.034 1.941 0.274) 3.612 3.583 ( -6.427 1.432 6.221) 9.058 3.634 ( -4.701 8.274 -5.683) 11.084 3.800 ( -2.817 -0.135 -4.553) 5.356 3.945 ( 1.847 -5.739 3.649) 7.048 4.036 ( 1.503 1.406 3.860) 4.375 4.384 ( -1.656 -0.538 2.588) 3.119 4.394 ( -2.144 -8.287 -5.188) 10.010 4.494 ( -1.431 0.883 -9.837) 9.980 4.909 ( -4.640 3.272 2.640) 6.262 4.941 ( 3.102 -0.289 8.534) 9.085 5.083 ( 6.557 3.203 0.153) 7.300 5.164 ( 0.727 1.717 -2.291) 2.954 5.280 ( -4.703 1.122 -3.675) 6.073 5.453 ( 0.776 -0.869 -0.859) 1.448 5.530 ( 0.404 5.920 -2.145) 6.310 5.591 ( -3.149 2.989 -3.713) 5.713 5.849 ( 1.630 -2.376 -1.251) 3.141 5.982 ( 3.190 -1.210 -0.242) 3.421 6.073 ( 0.198 6.644 4.729) 8.158 6.153 ( 4.880 3.130 3.155) 6.600 6.395 ( 1.703 0.456 -3.678) 4.079 6.528 ( -9.520 -6.844 -5.895) 13.123 6.720 ( -5.002 -1.702 0.227) 5.288 7.201 ( 5.727 12.891 7.467) 15.961 7.594 ( -0.272 3.635 -2.809) 4.602 7.804 ( 4.216 -0.051 -1.723) 4.555 7.924 ( -0.317 -2.610 -2.740) 3.797 8.070 ( -1.769 -4.999 1.739) 5.581 8.143 ( -0.244 2.687 0.209) 2.706 8.226 ( 2.705 4.775 -3.338) 6.424 8.321 ( -5.776 -2.139 -0.403) 6.172 8.431 ( -0.543 -1.806 4.561) 4.936 8.634 ( -9.973 -1.627 -2.007) 10.302 9.084 ( -8.125 -5.421 2.872) 10.181 9.353 ( -1.303 -1.899 10.634) 10.881 9.792 ( 3.662 2.558 -6.749) 8.093 9.892 ( 2.013 -4.820 9.007) 10.412 10.273 ( 0.749 -7.473 -1.543) 7.667 10.655 ( 0.649 -1.023 2.273) 2.576 10.704 ( -2.105 -3.613 4.591) 6.210 10.919 ( -1.335 -2.276 3.054) 4.036 11.061 ( -3.363 -2.809 -4.291) 6.134 11.174 ( -4.051 -0.328 0.391) 4.083 11.258 ( 1.109 -3.764 4.665) 6.096 11.517 ( 2.627 -0.627 -9.345) 9.727 11.873 ( 7.694 5.626 1.910) 9.721 11.954 ( 2.479 1.350 -1.683) 3.286 12.156 ( -6.637 1.035 -3.458) 7.555 12.520 ( 6.656 4.255 6.664) 10.335 12.748 ( 3.043 5.253 -0.171) 6.073 12.899 ( 7.059 1.276 5.100) 8.802 13.136 ( -4.873 2.514 -2.208) 5.912 13.392 ( -5.603 8.616 5.659) 11.733 13.530 ( -0.782 -5.593 -2.928) 6.361 13.844 ( -3.826 13.634 1.862) 14.283 13.970 ( 0.712 3.666 2.916) 4.738 14.120 ( 3.260 -5.124 -4.775) 7.725 14.280 ( -3.002 -4.065 0.103) 5.054 14.530 ( -10.656 -4.380 0.515) 11.533 14.925 ( -15.813 -16.782 0.567) 23.065 17.538 ( 15.169 18.656 -7.684) 25.243 17.709 ( 12.406 3.650 -3.803) 13.479 18.062 ( 2.816 -6.836 -15.149) 16.857 18.490 ( 1.868 -1.172 -0.389) 2.240 20.951 ( -2.579 3.082 2.474) 4.719 21.412 ( 3.335 -3.138 -4.229) 6.233 21.603 ( -2.776 3.512 4.503) 6.350 21.690 ( 0.252 2.925 8.500) 8.993 21.987 ( -1.598 -4.699 14.279) 15.117 22.155 ( 2.479 -1.151 7.117) 7.624 22.940 ( -1.983 -0.588 -2.793) 3.476 23.030 ( -1.823 -4.119 -8.704) 9.801 23.178 ( 1.155 -9.008 -2.474) 9.413 23.445 ( -5.708 -2.916 -8.259) 10.455 23.831 ( 1.817 -2.040 6.344) 6.907 23.916 ( -1.459 0.497 -0.089) 1.544 24.033 ( 3.613 0.889 0.569) 3.764 24.160 ( -1.921 0.229 -5.009) 5.370 24.335 ( -2.429 0.434 -5.254) 5.805 25.165 ( 7.624 14.977 0.659) 16.818 ======================= Grid point 22 (16/140) ======================= q-point: ( 0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 20.327 -2.449 2.671) 20.648 1.608 ( 2.167 -12.029 9.302) 15.360 1.799 ( 4.203 -8.861 -4.313) 10.714 2.021 ( -9.189 -10.399 1.704) 13.981 2.035 ( 6.753 -16.842 12.621) 22.103 2.285 ( 0.014 -7.220 0.477) 7.235 2.332 ( -3.030 -4.268 8.003) 9.563 2.577 ( -3.755 -9.557 -4.121) 11.064 2.682 ( -5.146 -6.328 -4.451) 9.291 2.822 ( 0.450 0.281 9.908) 9.922 2.963 ( -2.898 -2.719 -8.531) 9.411 2.996 ( -3.000 -0.175 -4.008) 5.010 3.065 ( 0.277 1.242 5.841) 5.978 3.326 ( -1.016 -4.051 -6.828) 8.004 3.380 ( 0.042 3.430 0.156) 3.434 3.391 ( 2.889 -1.079 -5.841) 6.605 3.517 ( -1.159 -0.441 2.654) 2.929 3.734 ( 10.050 -10.468 7.075) 16.144 3.771 ( -0.885 -0.919 -4.245) 4.433 4.045 ( 5.494 1.208 6.470) 8.574 4.063 ( -0.187 -2.642 4.745) 5.434 4.363 ( 0.218 3.704 -5.260) 6.437 4.410 ( -5.138 -2.494 -5.205) 7.728 4.501 ( -0.199 -2.821 1.662) 3.280 4.815 ( -5.955 1.882 -0.390) 6.257 4.950 ( -1.179 4.229 2.616) 5.111 5.080 ( -2.685 1.713 -4.566) 5.567 5.125 ( 3.448 -0.980 2.286) 4.251 5.211 ( -1.862 2.029 -0.578) 2.814 5.399 ( -1.828 7.417 3.714) 8.494 5.476 ( 0.675 1.006 -10.219) 10.290 5.565 ( 6.961 -0.979 0.457) 7.044 5.865 ( 0.520 2.089 0.931) 2.346 5.944 ( 0.467 5.494 -0.847) 5.579 6.053 ( 1.899 -2.039 -1.403) 3.119 6.113 ( -0.724 3.330 2.119) 4.013 6.392 ( 3.489 2.759 -4.937) 6.646 6.525 ( -10.020 -5.303 -1.334) 11.415 6.717 ( -3.596 -1.347 1.127) 4.002 7.089 ( 7.440 9.868 6.354) 13.897 7.531 ( -0.502 1.994 -2.805) 3.478 7.813 ( 3.525 2.350 -0.838) 4.318 7.914 ( -0.513 1.234 -0.142) 1.344 8.047 ( 2.285 8.334 -0.512) 8.656 8.166 ( 2.382 1.704 -4.389) 5.276 8.199 ( -1.723 -7.648 1.319) 7.950 8.311 ( -5.603 -1.491 1.198) 5.920 8.383 ( -8.648 3.850 1.117) 9.532 8.656 ( -2.085 -7.383 -3.048) 8.255 9.148 ( -3.780 -5.031 3.405) 7.155 9.452 ( -0.446 -3.891 10.368) 11.083 9.724 ( 1.577 3.123 -7.791) 8.541 9.988 ( 10.123 3.678 6.626) 12.645 10.415 ( -2.357 -9.812 -1.749) 10.241 10.663 ( -6.069 -2.433 1.070) 6.625 10.799 ( 0.672 -5.479 3.974) 6.802 10.984 ( -1.184 -4.896 2.112) 5.462 11.088 ( 0.006 -4.049 -4.684) 6.191 11.159 ( -6.161 -4.235 -3.850) 8.409 11.357 ( 2.154 -1.855 6.142) 6.768 11.527 ( 3.212 -3.180 -6.996) 8.329 11.815 ( 3.635 7.496 4.167) 9.315 11.924 ( 0.233 2.950 0.125) 2.962 12.073 ( -6.934 0.662 -1.848) 7.207 12.510 ( 8.429 6.741 2.197) 11.014 12.658 ( 1.063 6.537 0.053) 6.623 12.832 ( 0.113 8.468 -0.279) 8.473 13.147 ( 0.022 0.712 1.864) 1.995 13.268 ( -1.125 4.231 9.661) 10.607 13.504 ( -3.075 5.781 -1.694) 6.763 13.720 ( 3.948 -2.529 -4.575) 6.551 13.917 ( -0.413 3.982 2.143) 4.541 14.231 ( 2.173 -6.148 -3.642) 7.469 14.293 ( -4.213 -1.459 -2.529) 5.126 14.566 ( -6.543 -7.515 0.509) 9.977 15.088 ( -14.279 -15.418 0.991) 21.038 17.296 ( 14.993 19.263 -6.007) 25.138 17.724 ( 7.385 3.648 -0.226) 8.240 18.073 ( -2.643 -1.995 -6.887) 7.642 18.525 ( 1.349 -1.612 -0.245) 2.116 20.898 ( -1.142 2.828 2.044) 3.672 21.465 ( 3.609 -1.860 -4.572) 6.114 21.532 ( -3.648 3.395 3.810) 6.273 21.708 ( 1.885 0.145 3.841) 4.281 22.070 ( -2.786 -1.852 8.521) 9.154 22.231 ( 6.664 2.224 10.978) 13.034 22.905 ( -3.353 -0.163 -4.418) 5.549 23.074 ( -5.178 -8.975 -9.964) 14.375 23.345 ( 0.407 -10.135 -0.279) 10.147 23.452 ( -3.491 -6.101 -5.355) 8.837 23.873 ( -1.341 1.156 -1.438) 2.281 23.903 ( 0.301 -0.813 3.218) 3.333 24.047 ( 1.936 0.547 1.691) 2.628 24.136 ( -0.109 -0.565 -2.476) 2.542 24.292 ( -1.386 0.212 -4.264) 4.488 24.951 ( 7.563 17.992 3.522) 19.832 ======================= Grid point 23 (17/140) ======================= q-point: ( 0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 6.484 5.695 3.742) 9.406 1.879 ( 8.004 -8.280 1.929) 11.677 1.976 ( -0.382 -10.485 -3.212) 10.973 2.098 ( -5.561 -5.084 1.160) 7.623 2.336 ( 7.857 -4.576 10.692) 14.035 2.402 ( -0.089 -6.624 -2.394) 7.044 2.490 ( -1.318 -8.864 10.993) 14.183 2.609 ( -5.983 -2.630 -2.593) 7.031 2.797 ( -4.082 -13.158 -5.844) 14.965 2.827 ( -0.858 -0.267 -0.675) 1.124 2.885 ( -2.221 4.120 -4.282) 6.344 3.005 ( -0.536 -2.458 -4.646) 5.284 3.059 ( -3.484 -0.209 2.062) 4.054 3.170 ( -2.372 3.253 2.627) 4.807 3.455 ( 0.661 -7.237 -2.708) 7.755 3.496 ( 1.553 0.582 -3.737) 4.088 3.554 ( -1.058 -5.090 2.077) 5.598 3.809 ( 3.008 -5.101 -1.466) 6.101 4.006 ( 2.851 -7.635 1.883) 8.365 4.072 ( 4.674 3.775 2.713) 6.592 4.134 ( 0.420 -2.100 7.680) 7.973 4.307 ( 7.248 2.340 1.328) 7.732 4.381 ( -3.056 0.225 -4.206) 5.204 4.514 ( 3.940 2.100 1.713) 4.782 4.774 ( -4.427 -1.475 -4.033) 6.168 4.846 ( -3.700 2.680 -1.189) 4.721 5.030 ( -7.744 -4.107 -4.587) 9.894 5.175 ( -2.288 2.513 3.025) 4.549 5.196 ( 4.057 -1.235 2.623) 4.986 5.301 ( 0.495 5.144 2.497) 5.740 5.423 ( -0.314 -1.511 -8.971) 9.103 5.590 ( 3.455 4.897 0.897) 6.060 5.822 ( 0.759 1.657 3.456) 3.907 5.931 ( 2.114 0.719 2.054) 3.034 5.977 ( 2.858 6.961 -4.097) 8.568 6.150 ( -2.798 -4.661 1.481) 5.634 6.294 ( -2.035 4.605 -7.657) 9.164 6.551 ( -2.405 -2.343 1.827) 3.822 6.726 ( -2.610 -1.981 1.452) 3.584 7.043 ( 6.729 5.419 4.254) 9.630 7.502 ( -1.515 -1.674 -2.592) 3.438 7.769 ( 1.076 4.362 0.932) 4.589 7.881 ( 0.878 4.363 0.717) 4.508 7.925 ( 3.404 6.818 -0.258) 7.625 8.131 ( -0.772 1.366 -5.126) 5.360 8.227 ( -5.058 3.120 -0.135) 5.944 8.284 ( -5.331 -0.425 2.703) 5.992 8.355 ( -1.190 -7.243 -1.478) 7.487 8.766 ( 0.181 -6.609 -0.739) 6.653 9.201 ( -1.623 -2.255 0.841) 2.903 9.533 ( -1.136 -0.317 7.218) 7.314 9.666 ( 0.376 0.286 -5.863) 5.882 9.998 ( 11.269 7.612 4.540) 14.337 10.507 ( -1.789 -3.399 -0.461) 3.868 10.685 ( -7.074 -6.477 1.034) 9.647 10.937 ( 3.104 -6.923 2.013) 7.850 11.045 ( 1.057 -1.374 -1.116) 2.062 11.135 ( 1.017 -3.598 -3.634) 5.214 11.187 ( -6.407 -4.495 -1.785) 8.028 11.392 ( -1.668 0.381 5.303) 5.572 11.603 ( 8.578 -4.347 -9.234) 13.332 11.756 ( -0.516 2.038 4.018) 4.535 11.881 ( -4.047 0.731 4.327) 5.970 12.021 ( -4.530 -0.072 0.535) 4.563 12.411 ( 3.987 10.050 -3.637) 11.408 12.592 ( 3.883 3.562 0.719) 5.319 12.702 ( -2.050 5.823 2.126) 6.529 13.012 ( -4.400 9.124 -0.269) 10.133 13.293 ( -3.265 0.054 6.364) 7.153 13.503 ( 12.270 -2.842 -0.313) 12.599 13.759 ( 4.746 3.756 -1.410) 6.214 13.892 ( -1.010 -3.065 -0.258) 3.238 14.245 ( -7.096 -0.404 -2.896) 7.674 14.302 ( -3.708 -3.603 -0.968) 5.260 14.681 ( 1.638 -8.333 -1.134) 8.568 15.231 ( -10.955 -12.587 1.275) 16.735 17.068 ( 9.949 17.018 -2.349) 19.853 17.692 ( 3.646 4.957 -0.120) 6.154 18.057 ( -3.263 -2.181 -2.891) 4.875 18.556 ( 0.692 -1.086 -0.105) 1.291 20.857 ( -0.414 2.285 1.290) 2.657 21.445 ( 0.766 3.896 0.521) 4.004 21.514 ( -1.601 -1.985 -1.970) 3.223 21.736 ( 1.434 -0.416 1.328) 1.998 22.136 ( 1.108 -2.898 7.460) 8.079 22.238 ( 4.610 7.480 6.447) 10.898 22.883 ( -3.246 -3.178 -4.440) 6.352 23.137 ( -5.864 -8.554 -8.126) 13.176 23.506 ( 0.365 -8.747 -0.159) 8.756 23.533 ( -1.311 -7.206 -1.721) 7.523 23.829 ( -1.088 1.579 -1.580) 2.484 23.910 ( -0.727 1.073 1.668) 2.112 24.068 ( 1.057 -0.633 1.309) 1.797 24.136 ( 0.697 0.666 -0.694) 1.188 24.270 ( -0.673 -0.431 -2.378) 2.508 24.725 ( 5.301 16.476 3.487) 17.655 ======================= Grid point 24 (18/140) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( 0.668 11.664 1.851) 11.829 1.944 ( 0.447 6.457 -2.614) 6.980 2.087 ( 0.916 -2.849 -1.036) 3.167 2.155 ( -1.267 -7.594 1.474) 7.839 2.451 ( -0.084 -0.984 -0.836) 1.294 2.473 ( 4.225 2.084 8.204) 9.461 2.566 ( -1.523 -1.743 -1.560) 2.792 2.652 ( -0.911 -2.837 2.251) 3.734 2.800 ( 4.392 2.285 -2.313) 5.465 2.860 ( -0.177 -5.876 0.377) 5.890 2.909 ( -4.328 -1.225 -6.495) 7.900 2.940 ( -7.449 -3.540 -2.678) 8.671 3.138 ( 4.085 -4.505 -0.514) 6.103 3.210 ( -4.188 -4.706 5.903) 8.633 3.463 ( 2.369 2.054 -2.176) 3.816 3.558 ( 3.782 -2.061 -4.792) 6.443 3.601 ( -6.112 -6.123 4.251) 9.639 3.919 ( 7.864 3.500 0.131) 8.608 3.957 ( 1.270 7.204 4.034) 8.353 4.101 ( -4.108 -4.637 0.412) 6.209 4.189 ( -1.245 -0.814 0.498) 1.569 4.281 ( 0.684 1.556 -2.026) 2.644 4.392 ( 2.495 1.396 3.927) 4.858 4.529 ( 2.651 0.602 -1.087) 2.928 4.715 ( -4.093 -0.011 -3.425) 5.337 4.883 ( 6.432 -2.941 0.065) 7.073 5.043 ( -9.168 -5.926 -1.512) 11.020 5.148 ( 2.499 1.613 1.418) 3.295 5.204 ( -1.521 1.276 -2.028) 2.838 5.285 ( 2.979 -0.920 2.951) 4.293 5.423 ( -2.022 -1.181 -3.355) 4.092 5.525 ( -0.564 1.670 0.293) 1.787 5.767 ( 1.425 9.166 1.251) 9.360 5.912 ( -0.139 -1.282 4.695) 4.869 5.981 ( 4.759 -1.292 -1.121) 5.057 6.160 ( -3.970 2.379 -5.433) 7.138 6.211 ( -1.248 -2.236 -0.354) 2.585 6.559 ( 0.004 1.648 0.938) 1.896 6.766 ( -1.495 -4.383 0.921) 4.722 7.040 ( 4.364 2.221 2.372) 5.441 7.547 ( -0.861 -5.197 -0.985) 5.359 7.721 ( 0.838 2.021 0.793) 2.327 7.800 ( 0.972 4.583 0.266) 4.693 7.874 ( 2.702 3.215 0.594) 4.241 8.036 ( -7.423 1.304 -3.463) 8.294 8.208 ( 4.074 -0.651 -0.915) 4.226 8.271 ( -4.888 -1.893 0.636) 5.280 8.454 ( 0.247 -4.731 -0.075) 4.738 8.844 ( 0.836 -1.783 0.092) 1.971 9.220 ( -1.420 -2.337 -1.065) 2.934 9.514 ( -0.445 3.729 2.743) 4.650 9.650 ( -0.356 0.288 -2.005) 2.056 9.953 ( 6.414 7.839 2.499) 10.432 10.508 ( -3.953 -0.530 -1.529) 4.272 10.786 ( -0.093 -6.721 3.851) 7.747 11.007 ( 1.242 1.410 -2.986) 3.528 11.096 ( 1.926 -2.946 -0.030) 3.520 11.127 ( -1.459 4.649 -1.229) 5.025 11.200 ( -1.799 -4.746 1.011) 5.175 11.395 ( -1.542 -0.145 1.628) 2.247 11.693 ( 7.008 -2.837 -6.366) 9.884 11.769 ( -1.237 -1.524 1.111) 2.255 11.911 ( -3.258 -5.794 3.275) 7.410 12.021 ( -2.829 -3.035 2.972) 5.104 12.243 ( 0.536 9.280 -3.132) 9.809 12.566 ( 3.472 3.963 -0.927) 5.349 12.647 ( -1.546 -0.168 2.322) 2.795 12.846 ( -2.747 6.466 -0.754) 7.066 13.300 ( -1.445 -1.270 1.995) 2.772 13.651 ( 9.470 3.273 -2.776) 10.397 13.709 ( 4.548 -1.744 4.019) 6.315 13.957 ( 0.978 -3.300 -1.230) 3.655 14.180 ( -7.056 0.120 -0.826) 7.105 14.299 ( -4.939 -0.867 -0.790) 5.077 14.838 ( 3.916 -7.653 -1.012) 8.656 15.360 ( -6.299 -10.190 1.158) 12.035 16.857 ( 4.133 13.661 -0.494) 14.282 17.621 ( 0.838 5.176 -0.139) 5.245 18.082 ( -1.710 -4.259 -0.552) 4.622 18.567 ( 0.171 0.118 -0.013) 0.208 20.827 ( -0.107 1.552 0.401) 1.606 21.396 ( -0.043 2.378 0.642) 2.463 21.517 ( -0.830 -0.519 -1.917) 2.152 21.759 ( 0.826 -0.669 0.647) 1.244 22.119 ( 1.024 9.995 2.707) 10.406 22.265 ( 3.097 -6.433 3.499) 7.951 22.908 ( -1.166 -2.872 -1.640) 3.507 23.193 ( -4.406 -6.729 -5.396) 9.686 23.633 ( 0.051 -5.766 -0.364) 5.778 23.638 ( 0.401 -5.896 0.223) 5.914 23.791 ( -0.728 1.812 -0.626) 2.050 23.892 ( -0.633 0.574 0.847) 1.203 24.047 ( 0.533 6.165 0.495) 6.208 24.128 ( -0.069 -1.000 -0.394) 1.077 24.279 ( -0.049 -1.818 -0.535) 1.896 24.531 ( 2.287 11.272 1.982) 11.671 ======================= Grid point 25 (19/140) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 0.000 15.742 0.000) 15.742 1.721 ( 0.000 17.330 0.000) 17.330 2.066 ( 0.000 6.517 0.000) 6.517 2.290 ( -0.000 -6.636 -0.000) 6.636 2.373 ( 0.000 8.020 0.000) 8.020 2.422 ( 0.000 7.454 0.000) 7.454 2.592 ( -0.000 -1.622 -0.000) 1.622 2.691 ( -0.000 -2.947 -0.000) 2.947 2.783 ( 0.000 3.658 0.000) 3.658 2.875 ( 0.000 0.705 0.000) 0.705 2.940 ( -0.000 -2.006 -0.000) 2.006 2.999 ( -0.000 -8.441 -0.000) 8.441 3.176 ( 0.000 4.827 0.000) 4.827 3.233 ( 0.000 0.156 0.000) 0.156 3.431 ( 0.000 2.249 0.000) 2.249 3.616 ( 0.000 10.838 0.000) 10.838 3.620 ( -0.000 -6.164 -0.000) 6.164 3.786 ( -0.000 -0.031 -0.000) 0.031 3.961 ( 0.000 1.217 0.000) 1.217 4.159 ( -0.000 -2.566 -0.000) 2.566 4.170 ( 0.000 0.894 0.000) 0.894 4.282 ( -0.000 -1.144 -0.000) 1.144 4.354 ( 0.000 5.109 0.000) 5.109 4.537 ( -0.000 -1.516 -0.000) 1.516 4.697 ( -0.000 -0.313 -0.000) 0.313 4.945 ( -0.000 -0.894 -0.000) 0.894 5.095 ( 0.000 4.219 0.000) 4.219 5.111 ( -0.000 -6.789 -0.000) 6.789 5.219 ( -0.000 -3.144 -0.000) 3.144 5.323 ( 0.000 0.159 0.000) 0.159 5.361 ( 0.000 6.360 0.000) 6.360 5.589 ( -0.000 -8.097 -0.000) 8.097 5.655 ( 0.000 3.144 0.000) 3.144 5.956 ( -0.000 -1.530 -0.000) 1.530 6.063 ( 0.000 4.463 0.000) 4.463 6.066 ( -0.000 -6.106 -0.000) 6.106 6.253 ( -0.000 -3.190 -0.000) 3.190 6.496 ( 0.000 5.868 0.000) 5.868 6.857 ( -0.000 -6.231 -0.000) 6.231 7.040 ( 0.000 0.879 0.000) 0.879 7.627 ( -0.000 -4.717 -0.000) 4.717 7.723 ( -0.000 -1.363 -0.000) 1.363 7.763 ( 0.000 0.098 0.000) 0.098 7.869 ( -0.000 -1.244 -0.000) 1.244 8.010 ( -0.000 -2.805 -0.000) 2.805 8.255 ( -0.000 -2.251 -0.000) 2.251 8.291 ( -0.000 -2.949 -0.000) 2.949 8.509 ( -0.000 -1.815 -0.000) 1.815 8.832 ( 0.000 3.146 0.000) 3.146 9.263 ( -0.000 -3.544 -0.000) 3.544 9.455 ( 0.000 3.072 0.000) 3.072 9.624 ( 0.000 1.904 0.000) 1.904 9.848 ( 0.000 8.460 0.000) 8.460 10.477 ( 0.000 1.251 0.000) 1.251 10.890 ( -0.000 -1.190 -0.000) 1.190 10.967 ( 0.000 2.071 0.000) 2.071 10.983 ( 0.000 6.237 0.000) 6.237 11.160 ( -0.000 -1.567 -0.000) 1.567 11.280 ( -0.000 -4.901 -0.000) 4.901 11.390 ( 0.000 0.314 0.000) 0.314 11.722 ( 0.000 0.695 0.000) 0.695 11.793 ( -0.000 -2.261 -0.000) 2.261 11.982 ( -0.000 -2.266 -0.000) 2.266 12.103 ( 0.000 6.280 0.000) 6.280 12.145 ( -0.000 -10.671 -0.000) 10.671 12.514 ( 0.000 3.043 0.000) 3.043 12.670 ( -0.000 -0.097 -0.000) 0.097 12.773 ( -0.000 -1.021 -0.000) 1.021 13.334 ( -0.000 -2.735 -0.000) 2.735 13.572 ( 0.000 4.997 0.000) 4.997 13.834 ( -0.000 -3.858 -0.000) 3.858 13.991 ( -0.000 -0.734 -0.000) 0.734 14.152 ( -0.000 -1.202 -0.000) 1.202 14.264 ( 0.000 2.208 0.000) 2.208 14.958 ( -0.000 -4.391 -0.000) 4.391 15.493 ( -0.000 -8.248 -0.000) 8.248 16.677 ( 0.000 9.264 0.000) 9.264 17.541 ( 0.000 4.338 0.000) 4.338 18.163 ( -0.000 -6.025 -0.000) 6.025 18.555 ( 0.000 1.390 0.000) 1.390 20.811 ( 0.000 0.279 0.000) 0.279 21.375 ( 0.000 0.270 0.000) 0.270 21.505 ( 0.000 0.840 0.000) 0.840 21.773 ( -0.000 -0.257 -0.000) 0.257 21.962 ( 0.000 9.421 0.000) 9.421 22.425 ( -0.000 -9.449 -0.000) 9.449 22.934 ( -0.000 -1.136 -0.000) 1.136 23.253 ( -0.000 -4.318 -0.000) 4.318 23.692 ( -0.000 -1.373 -0.000) 1.373 23.720 ( -0.000 -3.504 -0.000) 3.504 23.731 ( 0.000 5.540 0.000) 5.540 23.906 ( -0.000 -2.268 -0.000) 2.268 23.913 ( 0.000 7.949 0.000) 7.949 24.148 ( -0.000 -0.849 -0.000) 0.849 24.320 ( -0.000 -3.083 -0.000) 3.083 24.400 ( 0.000 6.554 0.000) 6.554 ======================= Grid point 30 (20/140) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.339 ( 10.525 0.000 13.305) 16.965 1.378 ( -6.277 -0.000 7.845) 10.047 1.526 ( 25.310 0.000 3.839) 25.599 1.701 ( -2.403 -0.000 -2.701) 3.615 1.751 ( -6.514 -0.000 -4.081) 7.687 2.181 ( -1.874 -0.000 2.538) 3.155 2.383 ( 7.507 0.000 9.351) 11.991 2.404 ( -5.121 -0.000 0.760) 5.177 2.568 ( -0.427 -0.000 -2.143) 2.186 2.748 ( -5.025 -0.000 -9.351) 10.616 2.817 ( 11.156 0.000 21.233) 23.985 2.948 ( 0.186 0.000 -3.275) 3.280 3.043 ( -1.199 -0.000 -3.605) 3.800 3.231 ( -2.224 -0.000 -5.923) 6.327 3.480 ( 10.001 0.000 -0.039) 10.001 3.498 ( -4.418 -0.000 -0.981) 4.525 3.551 ( -6.701 -0.000 5.508) 8.674 3.699 ( 1.007 0.000 -6.221) 6.302 3.808 ( -0.331 -0.000 -0.189) 0.381 3.856 ( -1.880 -0.000 3.628) 4.086 4.091 ( 0.416 0.000 6.396) 6.410 4.255 ( -3.596 -0.000 -1.411) 3.863 4.378 ( -1.991 -0.000 2.203) 2.970 4.456 ( 1.966 0.000 -12.228) 12.385 4.897 ( -8.290 -0.000 1.277) 8.388 5.002 ( 1.770 0.000 8.858) 9.033 5.155 ( -5.096 -0.000 2.301) 5.592 5.204 ( 4.749 0.000 -3.407) 5.845 5.246 ( 7.717 0.000 -6.932) 10.373 5.422 ( -1.065 -0.000 -0.828) 1.350 5.492 ( -1.812 -0.000 -10.406) 10.563 5.670 ( -1.148 -0.000 3.995) 4.157 5.819 ( 1.313 0.000 -0.856) 1.567 6.021 ( 5.937 0.000 0.998) 6.020 6.160 ( -2.006 -0.000 5.411) 5.771 6.238 ( 1.091 0.000 4.890) 5.010 6.299 ( -8.013 -0.000 -6.497) 10.316 6.449 ( 2.740 0.000 -4.614) 5.366 6.669 ( -3.148 -0.000 0.215) 3.155 7.370 ( 1.680 0.000 3.371) 3.766 7.644 ( 1.906 0.000 -0.657) 2.016 7.836 ( 4.906 0.000 -2.243) 5.394 7.861 ( 2.186 0.000 -3.049) 3.752 8.036 ( -3.336 -0.000 3.394) 4.759 8.156 ( -0.612 -0.000 0.259) 0.664 8.241 ( -5.691 -0.000 -1.318) 5.841 8.286 ( 4.026 0.000 -5.371) 6.712 8.404 ( -4.042 -0.000 4.054) 5.725 8.532 ( -11.442 -0.000 -1.739) 11.573 8.999 ( -3.773 -0.000 4.917) 6.197 9.380 ( -1.567 -0.000 11.696) 11.801 9.811 ( 2.199 0.000 -7.046) 7.381 9.857 ( -1.012 -0.000 11.155) 11.200 10.265 ( 7.303 0.000 -2.215) 7.632 10.666 ( -1.766 -0.000 2.059) 2.713 10.668 ( -1.608 -0.000 3.126) 3.516 10.908 ( -1.242 -0.000 2.723) 2.993 10.981 ( -3.275 -0.000 -5.379) 6.298 11.154 ( -3.880 -0.000 -1.798) 4.277 11.288 ( 7.659 0.000 8.599) 11.516 11.486 ( 1.004 0.000 -6.722) 6.797 11.972 ( 2.201 0.000 -1.890) 2.901 11.987 ( 5.160 0.000 1.100) 5.276 12.087 ( -6.194 -0.000 -6.284) 8.823 12.641 ( 4.909 0.000 7.937) 9.332 12.829 ( 5.927 0.000 -0.304) 5.935 12.996 ( 8.023 0.000 7.057) 10.685 13.103 ( -5.700 -0.000 -5.099) 7.648 13.403 ( -4.958 -0.000 0.379) 4.972 13.494 ( -0.871 -0.000 -0.025) 0.871 13.940 ( -14.727 -0.000 -4.533) 15.409 14.040 ( -0.113 -0.000 4.866) 4.867 14.063 ( 10.176 0.000 -4.012) 10.939 14.223 ( -1.685 -0.000 4.150) 4.479 14.448 ( -6.139 -0.000 -0.444) 6.155 14.625 ( -15.286 -0.000 0.071) 15.286 17.755 ( 7.698 0.000 3.133) 8.311 17.859 ( 9.752 0.000 -23.118) 25.091 17.921 ( 6.080 0.000 -1.254) 6.208 18.492 ( 1.712 0.000 -0.388) 1.756 20.965 ( -2.481 -0.000 0.899) 2.639 21.393 ( 3.168 0.000 -2.167) 3.838 21.634 ( -1.438 -0.000 2.911) 3.247 21.749 ( -4.101 -0.000 5.779) 7.086 21.994 ( 0.139 0.000 15.385) 15.386 22.241 ( 7.022 0.000 12.629) 14.450 22.832 ( -3.303 -0.000 -12.736) 13.157 23.058 ( 0.731 0.000 -3.357) 3.435 23.060 ( 0.765 0.000 0.619) 0.984 23.326 ( -5.868 -0.000 -9.389) 11.072 23.863 ( 2.224 0.000 6.422) 6.796 23.906 ( -1.296 -0.000 -1.598) 2.058 24.074 ( 3.300 0.000 1.900) 3.808 24.119 ( -2.240 -0.000 -5.382) 5.830 24.294 ( -2.181 -0.000 -5.282) 5.715 25.325 ( 3.252 0.000 -0.641) 3.315 ======================= Grid point 31 (21/140) ======================= q-point: ( 0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.439 ( -0.220 -10.895 13.497) 17.347 1.613 ( 3.685 -5.453 -11.488) 13.240 1.723 ( 1.567 -15.732 11.420) 19.503 1.790 ( 15.413 -4.714 3.653) 16.526 1.810 ( -0.614 -11.287 -0.881) 11.338 2.194 ( -0.256 -1.724 0.407) 1.790 2.383 ( -4.486 2.602 5.606) 7.637 2.409 ( -3.616 -5.067 -1.902) 6.509 2.560 ( -1.812 -1.831 0.015) 2.576 2.776 ( -2.989 -8.034 -5.124) 9.987 2.882 ( -4.211 0.954 -2.356) 4.919 2.975 ( 2.386 2.114 6.118) 6.898 3.115 ( 2.907 -1.407 7.496) 8.162 3.212 ( 3.863 -4.753 -5.435) 8.189 3.396 ( 0.415 3.021 -6.415) 7.103 3.520 ( -1.259 3.282 1.534) 3.835 3.536 ( -3.587 7.385 0.058) 8.211 3.624 ( -0.539 -4.703 -0.854) 4.810 3.798 ( 8.794 -0.493 0.387) 8.816 3.998 ( 1.240 -8.050 3.861) 9.014 4.116 ( 1.401 -0.051 6.680) 6.825 4.296 ( -3.198 -4.192 -0.558) 5.301 4.379 ( -0.443 0.043 -2.072) 2.119 4.429 ( 0.986 -3.292 -3.949) 5.235 4.816 ( -6.905 2.530 0.205) 7.357 5.022 ( -2.854 3.036 2.861) 5.055 5.057 ( -7.290 2.485 -1.549) 7.856 5.196 ( 6.500 2.869 -0.480) 7.121 5.249 ( 3.587 3.538 -3.318) 6.032 5.427 ( -2.104 0.964 -8.074) 8.399 5.469 ( 0.255 -0.659 0.758) 1.037 5.629 ( 5.465 1.788 0.649) 5.787 5.854 ( -0.735 -2.483 0.087) 2.591 6.056 ( -3.109 8.029 -0.439) 8.621 6.070 ( 4.761 1.256 3.166) 5.854 6.190 ( -0.210 3.322 0.426) 3.356 6.338 ( -8.089 -6.003 -0.372) 10.080 6.433 ( 3.314 0.981 -3.733) 5.087 6.672 ( -2.063 -1.631 0.778) 2.743 7.320 ( 2.947 8.036 3.334) 9.186 7.598 ( 1.936 5.421 -0.326) 5.765 7.849 ( 3.602 -0.385 -2.279) 4.280 7.917 ( 2.160 -0.834 -1.577) 2.801 8.049 ( -3.158 -5.334 1.622) 6.408 8.143 ( 1.515 2.261 0.022) 2.721 8.218 ( -1.545 -1.063 -1.813) 2.609 8.271 ( 1.362 2.131 -1.072) 2.747 8.378 ( -9.284 2.462 1.839) 9.779 8.475 ( -6.589 -6.452 -3.878) 10.005 9.059 ( -0.896 -5.107 4.881) 7.121 9.444 ( -0.771 -2.509 10.413) 10.739 9.756 ( 1.278 3.533 -7.612) 8.489 10.010 ( 0.818 -10.779 9.336) 14.284 10.307 ( 6.312 -0.048 -2.515) 6.795 10.621 ( -4.975 1.630 -0.096) 5.236 10.719 ( -2.402 -4.920 2.816) 6.157 10.911 ( -0.883 -1.550 0.399) 1.828 10.986 ( -1.751 -4.268 -3.026) 5.517 11.116 ( -1.293 0.638 -1.883) 2.371 11.405 ( 7.068 -0.294 7.765) 10.504 11.479 ( 2.485 -1.950 -3.733) 4.890 11.921 ( -6.635 3.138 -3.194) 8.005 11.984 ( 0.437 0.899 -0.403) 1.078 12.033 ( 1.759 3.214 -1.942) 4.147 12.673 ( 4.220 3.454 5.527) 7.764 12.803 ( 4.990 8.528 -1.116) 9.943 12.958 ( -0.340 6.744 -2.288) 7.129 13.147 ( 3.450 -4.209 4.925) 7.340 13.356 ( -4.354 4.054 3.542) 6.924 13.516 ( 1.092 -3.563 -0.578) 3.771 13.708 ( -8.368 7.425 -5.425) 12.433 14.024 ( 1.513 5.313 2.790) 6.189 14.149 ( 4.911 -3.616 -2.161) 6.470 14.239 ( -2.207 -0.778 -2.334) 3.305 14.405 ( -5.883 -5.002 0.675) 7.751 14.719 ( -11.450 -16.770 1.217) 20.343 17.653 ( 8.933 14.706 -6.853) 18.521 17.830 ( 6.233 2.298 -0.947) 6.711 17.993 ( -0.040 -2.640 -3.973) 4.770 18.511 ( 1.183 -1.052 -0.249) 1.603 20.935 ( -1.344 1.852 0.805) 2.426 21.425 ( 2.286 -2.053 -2.072) 3.706 21.603 ( -1.364 3.745 2.236) 4.570 21.734 ( -1.415 0.338 2.891) 3.237 22.073 ( -0.418 -0.830 10.723) 10.764 22.374 ( 8.568 -0.639 14.981) 17.270 22.815 ( -3.713 -6.512 -9.896) 12.415 22.915 ( -4.406 5.169 -8.424) 10.821 23.201 ( 0.668 -9.034 0.630) 9.080 23.298 ( -2.689 -4.933 -5.748) 8.038 23.878 ( -0.766 1.101 -1.573) 2.066 23.916 ( 1.460 -0.647 4.901) 5.155 24.066 ( -0.874 0.910 -2.800) 3.072 24.118 ( 1.329 -1.083 0.703) 1.853 24.259 ( -1.321 -0.255 -4.333) 4.537 25.250 ( 3.025 10.762 0.787) 11.206 ======================= Grid point 32 (22/140) ======================= q-point: ( 0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.668 ( 1.345 -4.825 1.094) 5.127 1.729 ( 0.599 -13.561 1.539) 13.661 1.915 ( 4.841 -1.927 -1.297) 5.369 1.969 ( 5.943 -7.432 5.320) 10.902 2.157 ( -2.516 -17.012 -0.148) 17.198 2.289 ( 3.643 -12.309 2.929) 13.167 2.366 ( -6.432 -5.990 3.768) 9.563 2.495 ( -1.897 -7.986 -2.931) 8.715 2.618 ( 1.524 -2.348 4.998) 5.729 2.808 ( -3.779 -2.914 -11.218) 12.191 2.844 ( -2.924 -0.440 0.890) 3.088 2.949 ( -0.182 1.734 -0.009) 1.743 3.132 ( -0.836 1.437 8.520) 8.681 3.220 ( -1.648 6.963 -6.403) 9.602 3.341 ( 0.172 -2.194 -2.197) 3.110 3.477 ( 4.287 -2.792 -0.773) 5.174 3.521 ( -1.044 -0.427 1.723) 2.060 3.709 ( -1.127 -7.699 -1.033) 7.849 3.892 ( 2.390 -3.721 -1.405) 4.640 4.151 ( 3.315 -3.990 6.894) 8.628 4.170 ( 1.880 -0.077 5.305) 5.628 4.311 ( -0.675 -1.105 -7.064) 7.181 4.380 ( 6.092 -1.576 0.055) 6.293 4.536 ( 0.973 -6.616 3.394) 7.499 4.721 ( -5.472 2.998 -0.203) 6.243 4.871 ( -6.456 5.921 -5.049) 10.111 4.980 ( -1.856 4.927 0.359) 5.277 5.212 ( 1.819 -1.015 3.144) 3.771 5.218 ( 0.716 1.487 1.654) 2.336 5.350 ( -1.157 1.084 -9.688) 9.817 5.401 ( -1.187 5.467 1.809) 5.879 5.721 ( 9.741 0.695 0.080) 9.766 5.839 ( -5.870 3.097 1.024) 6.716 5.930 ( 0.531 -0.168 -1.889) 1.970 6.099 ( 1.924 5.228 0.960) 5.653 6.137 ( 2.757 0.955 3.711) 4.721 6.280 ( -6.898 1.532 -6.230) 9.420 6.487 ( 0.461 -4.123 1.391) 4.376 6.686 ( -1.396 -1.379 0.547) 2.037 7.216 ( 3.131 8.186 2.178) 9.031 7.515 ( 0.182 4.600 -0.716) 4.659 7.857 ( 2.221 3.640 0.290) 4.274 7.902 ( -0.698 -0.550 -0.907) 1.270 8.092 ( 4.646 7.015 0.375) 8.422 8.168 ( 1.733 -1.247 -3.132) 3.791 8.185 ( -2.869 -0.990 0.613) 3.096 8.237 ( -3.489 0.103 -1.123) 3.667 8.269 ( -5.180 0.677 2.471) 5.779 8.587 ( -2.311 -11.428 -2.485) 11.922 9.159 ( -0.029 -4.052 2.521) 4.773 9.540 ( -0.435 -3.439 8.544) 9.220 9.660 ( 0.439 3.684 -7.519) 8.385 10.199 ( 8.235 2.046 4.998) 9.848 10.383 ( -0.946 -10.666 0.028) 10.708 10.547 ( -6.365 0.463 -2.648) 6.909 10.826 ( -0.777 -7.998 1.744) 8.222 10.979 ( -0.233 -6.481 1.540) 6.665 11.037 ( -2.248 -4.965 -3.075) 6.258 11.102 ( 1.077 -0.119 -1.613) 1.944 11.428 ( -0.262 1.374 2.786) 3.118 11.580 ( 9.247 -2.903 -0.130) 9.693 11.796 ( -8.249 2.391 -2.059) 8.832 11.933 ( 0.784 5.888 1.234) 6.067 11.997 ( -0.747 0.319 -0.535) 0.973 12.616 ( 3.126 12.028 -0.811) 12.454 12.676 ( 1.207 3.559 1.124) 3.923 12.825 ( -0.048 8.567 -0.128) 8.569 13.158 ( -0.007 8.376 1.081) 8.446 13.300 ( -3.533 1.497 3.852) 5.437 13.511 ( 3.428 -2.123 0.043) 4.033 13.727 ( 1.898 -8.994 -3.027) 9.678 13.929 ( -0.252 7.249 1.171) 7.347 14.193 ( -1.751 0.200 -3.516) 3.933 14.221 ( -2.533 -2.710 1.043) 3.853 14.527 ( 0.239 -10.119 -0.750) 10.150 14.932 ( -6.507 -15.555 0.919) 16.886 17.414 ( 5.678 17.609 -2.487) 18.668 17.802 ( 2.812 4.809 -0.068) 5.571 17.995 ( -1.765 -1.204 -1.750) 2.762 18.538 ( 0.521 -1.431 -0.099) 1.526 20.898 ( -0.422 2.231 0.617) 2.353 21.464 ( 0.898 -2.099 -1.890) 2.963 21.529 ( -0.878 4.828 1.687) 5.189 21.740 ( 0.057 -0.367 0.668) 0.764 22.128 ( 0.585 -1.680 5.250) 5.543 22.466 ( 7.150 8.083 11.727) 15.937 22.766 ( -5.626 -2.728 -8.244) 10.347 22.911 ( -3.459 -9.713 -6.518) 12.198 23.360 ( 0.469 -8.899 0.598) 8.931 23.381 ( -0.916 -8.320 -2.058) 8.619 23.842 ( -0.532 1.568 -1.083) 1.978 23.937 ( 0.257 1.218 1.999) 2.355 24.053 ( -0.227 -1.276 -0.960) 1.613 24.146 ( 0.909 -0.475 1.029) 1.453 24.243 ( -0.585 -0.628 -2.354) 2.505 25.046 ( 2.257 15.960 1.223) 16.165 ======================= Grid point 33 (23/140) ======================= q-point: ( 0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.000 6.741 0.000) 6.741 1.938 ( -0.000 -11.356 -0.000) 11.356 1.968 ( -0.000 -2.745 -0.000) 2.745 2.078 ( -0.000 -3.049 -0.000) 3.049 2.339 ( -0.000 -10.904 -0.000) 10.904 2.462 ( -0.000 -6.220 -0.000) 6.220 2.568 ( -0.000 -1.088 -0.000) 1.088 2.637 ( 0.000 0.388 0.000) 0.388 2.670 ( -0.000 -19.529 -0.000) 19.529 2.798 ( -0.000 -2.354 -0.000) 2.354 2.821 ( 0.000 1.065 0.000) 1.065 2.967 ( 0.000 3.590 0.000) 3.590 3.036 ( -0.000 -1.499 -0.000) 1.499 3.186 ( -0.000 -0.580 -0.000) 0.580 3.442 ( -0.000 -8.766 -0.000) 8.766 3.505 ( 0.000 1.681 0.000) 1.681 3.533 ( -0.000 -1.951 -0.000) 1.951 3.886 ( -0.000 -12.048 -0.000) 12.048 3.938 ( -0.000 -3.000 -0.000) 3.000 4.137 ( 0.000 6.712 0.000) 6.712 4.229 ( 0.000 0.780 0.000) 0.780 4.275 ( 0.000 0.141 0.000) 0.141 4.435 ( 0.000 0.256 0.000) 0.256 4.599 ( 0.000 5.623 0.000) 5.623 4.702 ( -0.000 -0.816 -0.000) 0.816 4.798 ( -0.000 -9.311 -0.000) 9.311 4.913 ( 0.000 0.693 0.000) 0.693 5.176 ( 0.000 2.752 0.000) 2.752 5.274 ( 0.000 2.971 0.000) 2.971 5.294 ( 0.000 0.351 0.000) 0.351 5.354 ( -0.000 -2.807 -0.000) 2.807 5.628 ( 0.000 8.910 0.000) 8.910 5.850 ( -0.000 -2.288 -0.000) 2.288 5.964 ( -0.000 -2.307 -0.000) 2.307 5.973 ( 0.000 8.633 0.000) 8.633 6.170 ( 0.000 1.542 0.000) 1.542 6.194 ( 0.000 0.806 0.000) 0.806 6.552 ( -0.000 -2.609 -0.000) 2.609 6.709 ( -0.000 -2.103 -0.000) 2.103 7.122 ( 0.000 5.150 0.000) 5.150 7.477 ( -0.000 -1.194 -0.000) 1.194 7.784 ( 0.000 4.685 0.000) 4.685 7.891 ( 0.000 3.413 0.000) 3.413 7.980 ( 0.000 7.666 0.000) 7.666 8.051 ( 0.000 5.193 0.000) 5.193 8.203 ( -0.000 -1.184 -0.000) 1.184 8.249 ( 0.000 1.121 0.000) 1.121 8.342 ( -0.000 -8.330 -0.000) 8.330 8.754 ( -0.000 -8.894 -0.000) 8.894 9.200 ( -0.000 -0.579 -0.000) 0.579 9.575 ( 0.000 3.151 0.000) 3.151 9.623 ( -0.000 -2.516 -0.000) 2.516 10.128 ( 0.000 8.715 0.000) 8.715 10.491 ( 0.000 0.525 0.000) 0.525 10.614 ( -0.000 -12.858 -0.000) 12.858 10.973 ( -0.000 -7.948 -0.000) 7.948 11.050 ( -0.000 -0.053 -0.000) 0.053 11.122 ( -0.000 -6.404 -0.000) 6.404 11.129 ( -0.000 -3.117 -0.000) 3.117 11.404 ( 0.000 1.807 0.000) 1.807 11.664 ( -0.000 -2.546 -0.000) 2.546 11.732 ( -0.000 -0.065 -0.000) 0.065 11.868 ( 0.000 1.361 0.000) 1.361 11.993 ( -0.000 -0.486 -0.000) 0.486 12.415 ( 0.000 11.730 0.000) 11.730 12.650 ( 0.000 1.332 0.000) 1.332 12.682 ( 0.000 7.673 0.000) 7.673 12.980 ( 0.000 10.503 0.000) 10.503 13.284 ( -0.000 -0.257 -0.000) 0.257 13.636 ( -0.000 -7.292 -0.000) 7.292 13.799 ( 0.000 7.728 0.000) 7.728 13.869 ( -0.000 -6.806 -0.000) 6.806 14.160 ( 0.000 0.897 0.000) 0.897 14.254 ( -0.000 -2.064 -0.000) 2.064 14.700 ( -0.000 -9.926 -0.000) 9.926 15.145 ( -0.000 -12.795 -0.000) 12.795 17.135 ( 0.000 17.223 0.000) 17.223 17.720 ( 0.000 5.897 0.000) 5.897 18.014 ( -0.000 -2.650 -0.000) 2.650 18.561 ( -0.000 -0.951 -0.000) 0.951 20.860 ( 0.000 2.216 0.000) 2.216 21.453 ( 0.000 4.144 0.000) 4.144 21.492 ( -0.000 -1.515 -0.000) 1.515 21.751 ( -0.000 -0.650 -0.000) 0.650 22.193 ( -0.000 -4.287 -0.000) 4.287 22.321 ( 0.000 12.223 0.000) 12.223 22.825 ( -0.000 -5.813 -0.000) 5.813 23.036 ( -0.000 -8.470 -0.000) 8.470 23.512 ( -0.000 -8.628 -0.000) 8.628 23.515 ( -0.000 -8.096 -0.000) 8.096 23.812 ( 0.000 1.440 0.000) 1.440 23.913 ( 0.000 1.721 0.000) 1.721 24.079 ( -0.000 -1.418 -0.000) 1.418 24.145 ( 0.000 1.625 0.000) 1.625 24.251 ( -0.000 -1.183 -0.000) 1.183 24.782 ( 0.000 16.302 0.000) 16.302 ======================= Grid point 41 (24/140) ======================= q-point: ( 0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -2.829 -0.000 4.932) 5.686 1.506 ( 0.669 0.000 4.870) 4.916 1.617 ( -0.410 -0.000 -3.263) 3.289 1.681 ( -0.747 -0.000 0.100) 0.754 1.959 ( 22.313 0.000 4.409) 22.745 2.190 ( 2.329 0.000 -1.335) 2.685 2.303 ( -16.570 -0.000 -2.783) 16.802 2.333 ( -4.232 -0.000 0.129) 4.234 2.617 ( 3.493 0.000 4.409) 5.625 2.656 ( 0.006 0.000 -1.941) 1.941 2.819 ( -5.149 -0.000 -3.668) 6.322 3.112 ( 4.725 0.000 0.902) 4.811 3.127 ( -2.885 -0.000 4.921) 5.704 3.181 ( 8.293 0.000 5.235) 9.807 3.418 ( -3.565 -0.000 -1.436) 3.844 3.459 ( -0.631 -0.000 -11.261) 11.278 3.533 ( -1.547 -0.000 2.695) 3.107 3.707 ( -0.137 -0.000 0.534) 0.552 3.812 ( -3.018 -0.000 -1.076) 3.204 3.946 ( 11.899 0.000 2.834) 12.231 4.133 ( -1.574 -0.000 3.620) 3.947 4.267 ( -2.234 -0.000 10.625) 10.858 4.368 ( -2.105 -0.000 2.143) 3.004 4.372 ( 3.082 0.000 -13.216) 13.570 4.789 ( -4.780 -0.000 -0.510) 4.807 5.000 ( -6.297 -0.000 -3.731) 7.319 5.052 ( -2.028 -0.000 3.456) 4.007 5.239 ( 3.949 0.000 -3.453) 5.245 5.372 ( 6.495 0.000 -0.605) 6.523 5.406 ( -1.510 -0.000 -1.307) 1.997 5.425 ( 1.383 0.000 -1.285) 1.888 5.671 ( -1.228 -0.000 1.098) 1.647 5.817 ( -0.708 -0.000 -0.318) 0.776 6.110 ( -4.303 -0.000 0.510) 4.334 6.142 ( 7.823 0.000 0.724) 7.856 6.215 ( -0.531 -0.000 -0.995) 1.128 6.239 ( -5.419 -0.000 3.010) 6.199 6.439 ( 1.135 0.000 -3.361) 3.548 6.651 ( -0.460 -0.000 0.611) 0.764 7.407 ( 0.334 0.000 1.484) 1.521 7.671 ( 1.512 0.000 -0.546) 1.608 7.867 ( 1.940 0.000 -1.964) 2.761 7.905 ( 5.951 0.000 -1.573) 6.155 7.993 ( -5.880 -0.000 2.213) 6.283 8.167 ( -2.369 -0.000 -0.605) 2.445 8.184 ( 2.179 0.000 2.198) 3.095 8.290 ( 4.024 0.000 -6.429) 7.585 8.348 ( -6.216 -0.000 4.749) 7.823 8.365 ( -6.774 -0.000 -2.225) 7.130 9.033 ( 0.696 0.000 2.991) 3.071 9.459 ( -0.578 -0.000 6.574) 6.600 9.768 ( 0.476 0.000 -4.670) 4.694 9.925 ( -0.501 -0.000 4.673) 4.700 10.372 ( 7.615 0.000 -0.488) 7.631 10.599 ( -7.304 -0.000 0.181) 7.307 10.665 ( -0.216 -0.000 0.482) 0.529 10.909 ( -0.811 -0.000 1.091) 1.359 10.921 ( -0.084 -0.000 -2.145) 2.146 11.103 ( -0.825 -0.000 -1.296) 1.536 11.450 ( -0.085 -0.000 -1.999) 2.001 11.528 ( 11.692 0.000 8.966) 14.734 11.830 ( -12.414 -0.000 -7.125) 14.314 11.983 ( 0.856 0.000 -0.799) 1.171 12.107 ( 3.437 0.000 0.027) 3.438 12.738 ( 1.145 0.000 2.818) 3.042 12.940 ( 5.321 0.000 1.393) 5.501 13.005 ( -1.724 -0.000 -2.495) 3.032 13.146 ( 4.311 0.000 2.738) 5.107 13.350 ( -2.615 -0.000 0.994) 2.798 13.482 ( -0.154 -0.000 -0.671) 0.689 13.704 ( -8.003 -0.000 -3.504) 8.737 14.072 ( -0.195 -0.000 2.202) 2.210 14.206 ( -1.438 -0.000 -0.809) 1.650 14.210 ( 12.089 0.000 -2.237) 12.294 14.393 ( -1.610 -0.000 0.764) 1.782 14.404 ( -14.121 -0.000 1.264) 14.177 17.807 ( 2.562 0.000 -7.081) 7.531 17.868 ( 3.720 0.000 1.147) 3.892 17.971 ( 1.557 0.000 -0.369) 1.600 18.508 ( 0.661 0.000 -0.144) 0.676 20.945 ( -0.811 -0.000 0.168) 0.828 21.418 ( 1.549 0.000 -0.667) 1.686 21.639 ( -0.348 -0.000 0.811) 0.882 21.727 ( -2.153 -0.000 1.400) 2.568 22.122 ( 0.534 0.000 8.278) 8.295 22.479 ( 6.348 0.000 11.165) 12.844 22.684 ( -1.537 -0.000 -7.955) 8.103 22.971 ( -5.668 -0.000 -7.324) 9.261 23.048 ( 0.236 0.000 -0.705) 0.743 23.235 ( 0.215 0.000 -1.370) 1.387 23.877 ( -0.395 -0.000 -1.088) 1.157 23.949 ( 1.833 0.000 5.264) 5.574 24.038 ( -1.884 -0.000 -4.946) 5.293 24.129 ( 1.136 0.000 1.852) 2.173 24.231 ( -0.728 -0.000 -2.959) 3.048 25.355 ( 0.990 0.000 0.073) 0.993 ======================= Grid point 42 (25/140) ======================= q-point: ( 0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.507 ( -0.000 -13.101 -0.000) 13.101 1.570 ( -0.000 -5.488 -0.000) 5.488 1.729 ( -0.000 -12.995 -0.000) 12.995 1.817 ( -0.000 -15.442 -0.000) 15.442 2.111 ( 0.000 1.217 0.000) 1.217 2.148 ( -0.000 -0.259 -0.000) 0.259 2.255 ( -0.000 -5.050 -0.000) 5.050 2.359 ( -0.000 -5.366 -0.000) 5.366 2.643 ( -0.000 -0.542 -0.000) 0.542 2.684 ( -0.000 -3.429 -0.000) 3.429 2.808 ( -0.000 -1.658 -0.000) 1.658 3.046 ( 0.000 7.058 0.000) 7.058 3.123 ( -0.000 -0.978 -0.000) 0.978 3.293 ( -0.000 -1.258 -0.000) 1.258 3.336 ( 0.000 2.328 0.000) 2.328 3.506 ( -0.000 -2.716 -0.000) 2.716 3.546 ( 0.000 9.954 0.000) 9.954 3.566 ( -0.000 -5.915 -0.000) 5.915 3.867 ( -0.000 -2.100 -0.000) 2.100 4.080 ( -0.000 -7.466 -0.000) 7.466 4.155 ( -0.000 -2.227 -0.000) 2.227 4.313 ( 0.000 2.145 0.000) 2.145 4.337 ( -0.000 -4.751 -0.000) 4.751 4.422 ( -0.000 -5.400 -0.000) 5.400 4.750 ( 0.000 2.094 0.000) 2.094 4.925 ( 0.000 4.539 0.000) 4.539 5.047 ( 0.000 1.192 0.000) 1.192 5.244 ( 0.000 0.433 0.000) 0.433 5.267 ( 0.000 7.593 0.000) 7.593 5.370 ( 0.000 2.947 0.000) 2.947 5.471 ( 0.000 1.796 0.000) 1.796 5.698 ( -0.000 -4.539 -0.000) 4.539 5.832 ( -0.000 -1.673 -0.000) 1.673 6.010 ( 0.000 8.186 0.000) 8.186 6.181 ( 0.000 1.990 0.000) 1.990 6.194 ( 0.000 1.682 0.000) 1.682 6.222 ( -0.000 -0.854 -0.000) 0.854 6.445 ( -0.000 -1.597 -0.000) 1.597 6.662 ( -0.000 -1.099 -0.000) 1.099 7.357 ( 0.000 6.129 0.000) 6.129 7.616 ( 0.000 6.016 0.000) 6.016 7.864 ( -0.000 -0.862 -0.000) 0.862 7.938 ( 0.000 3.068 0.000) 3.068 8.023 ( -0.000 -8.172 -0.000) 8.172 8.186 ( -0.000 -2.571 -0.000) 2.571 8.188 ( 0.000 1.359 0.000) 1.359 8.274 ( 0.000 3.831 0.000) 3.831 8.299 ( 0.000 4.554 0.000) 4.554 8.388 ( -0.000 -8.726 -0.000) 8.726 9.087 ( -0.000 -4.601 -0.000) 4.601 9.496 ( -0.000 -2.970 -0.000) 2.970 9.720 ( 0.000 4.176 0.000) 4.176 10.062 ( -0.000 -13.745 -0.000) 13.745 10.380 ( 0.000 3.135 0.000) 3.135 10.545 ( 0.000 2.052 0.000) 2.052 10.709 ( -0.000 -5.130 -0.000) 5.130 10.917 ( -0.000 -1.552 -0.000) 1.552 10.949 ( -0.000 -3.590 -0.000) 3.590 11.099 ( -0.000 -0.225 -0.000) 0.225 11.444 ( 0.000 0.252 0.000) 0.252 11.628 ( -0.000 -0.045 -0.000) 0.045 11.735 ( -0.000 -0.405 -0.000) 0.405 11.984 ( 0.000 0.211 0.000) 0.211 12.067 ( 0.000 5.747 0.000) 5.747 12.728 ( 0.000 2.244 0.000) 2.244 12.840 ( 0.000 11.992 0.000) 11.992 12.950 ( 0.000 5.294 0.000) 5.294 13.209 ( -0.000 -2.891 -0.000) 2.891 13.337 ( 0.000 2.661 0.000) 2.661 13.554 ( -0.000 -9.300 -0.000) 9.300 13.573 ( 0.000 8.149 0.000) 8.149 14.050 ( 0.000 5.073 0.000) 5.073 14.190 ( 0.000 0.694 0.000) 0.694 14.200 ( 0.000 2.571 0.000) 2.571 14.360 ( -0.000 -8.585 -0.000) 8.585 14.633 ( -0.000 -17.055 -0.000) 17.055 17.685 ( 0.000 12.199 0.000) 12.199 17.875 ( 0.000 2.147 0.000) 2.147 17.976 ( -0.000 -0.148 -0.000) 0.148 18.519 ( -0.000 -1.002 -0.000) 1.002 20.929 ( 0.000 1.466 0.000) 1.466 21.435 ( -0.000 -1.333 -0.000) 1.333 21.604 ( 0.000 3.727 0.000) 3.727 21.732 ( -0.000 -0.755 -0.000) 0.755 22.137 ( 0.000 0.512 0.000) 0.512 22.593 ( -0.000 -6.026 -0.000) 6.026 22.725 ( -0.000 -6.172 -0.000) 6.172 22.760 ( 0.000 11.579 0.000) 11.579 23.195 ( -0.000 -10.726 -0.000) 10.726 23.269 ( -0.000 -4.216 -0.000) 4.216 23.862 ( 0.000 1.210 0.000) 1.210 23.967 ( 0.000 1.110 0.000) 1.110 24.023 ( -0.000 -1.304 -0.000) 1.304 24.143 ( -0.000 -0.588 -0.000) 0.588 24.225 ( -0.000 -0.480 -0.000) 0.480 25.276 ( 0.000 9.627 0.000) 9.627 ======================= Grid point 85 (26/140) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.452 ( 10.260 0.000 22.989) 25.175 0.566 ( -20.044 -0.000 28.882) 35.155 0.813 ( 20.251 0.000 41.105) 45.823 1.629 ( -0.875 -0.000 1.470) 1.711 1.989 ( -1.335 -0.000 1.142) 1.757 2.189 ( 8.309 0.000 -0.610) 8.331 2.256 ( -12.275 -0.000 4.303) 13.008 2.469 ( 4.419 0.000 -4.625) 6.397 2.520 ( 3.576 0.000 -1.471) 3.867 2.667 ( -4.127 -0.000 -2.043) 4.605 2.724 ( 1.000 0.000 5.857) 5.942 3.088 ( -3.689 -0.000 -8.557) 9.318 3.097 ( 1.405 0.000 3.992) 4.232 3.257 ( 0.419 0.000 -1.967) 2.012 3.287 ( 2.020 0.000 0.352) 2.050 3.683 ( 6.196 0.000 3.207) 6.976 3.744 ( -4.303 -0.000 0.904) 4.397 3.864 ( -0.340 -0.000 -2.786) 2.806 3.903 ( 1.667 0.000 -2.199) 2.759 4.100 ( 8.378 0.000 -10.456) 13.399 4.154 ( -13.274 -0.000 -3.357) 13.692 4.196 ( -9.599 -0.000 -0.034) 9.599 4.365 ( 0.927 0.000 0.409) 1.014 4.474 ( 2.938 0.000 5.293) 6.054 4.766 ( -0.615 -0.000 0.953) 1.134 4.893 ( -5.013 -0.000 4.155) 6.511 5.082 ( -0.058 -0.000 -4.457) 4.457 5.213 ( -2.217 -0.000 -3.547) 4.183 5.518 ( 5.135 0.000 5.045) 7.199 5.529 ( -7.431 -0.000 4.079) 8.477 5.687 ( 2.514 0.000 -4.900) 5.507 5.722 ( -2.728 -0.000 3.332) 4.306 5.739 ( 2.445 0.000 -6.448) 6.896 5.872 ( -3.283 -0.000 0.634) 3.344 5.915 ( 4.903 0.000 0.247) 4.909 6.081 ( -7.839 -0.000 6.225) 10.011 6.429 ( -1.817 -0.000 4.506) 4.859 6.525 ( 42.814 0.000 -3.248) 42.937 6.829 ( 3.703 0.000 -6.035) 7.080 6.908 ( 6.894 0.000 -2.310) 7.271 7.674 ( -1.083 -0.000 -2.250) 2.497 7.833 ( -4.109 -0.000 -5.218) 6.641 7.909 ( -0.167 -0.000 -4.928) 4.931 8.021 ( 2.539 0.000 2.205) 3.363 8.112 ( 3.352 0.000 -6.875) 7.649 8.115 ( -0.254 -0.000 3.013) 3.023 8.354 ( 0.081 0.000 4.995) 4.996 8.488 ( -3.311 -0.000 -1.761) 3.750 9.072 ( 4.793 0.000 14.447) 15.221 9.323 ( -2.586 -0.000 2.891) 3.879 9.690 ( -8.526 -0.000 -2.745) 8.957 9.721 ( 6.893 0.000 -0.237) 6.897 9.732 ( -13.242 -0.000 0.954) 13.276 10.122 ( 3.028 0.000 -1.554) 3.403 10.420 ( 0.032 0.000 2.224) 2.224 10.763 ( 1.233 0.000 -0.353) 1.283 11.021 ( 5.289 0.000 -4.832) 7.163 11.152 ( 0.801 0.000 -0.306) 0.857 11.233 ( 11.906 0.000 -10.245) 15.707 11.447 ( -6.450 -0.000 -1.384) 6.597 11.788 ( -41.671 -0.000 2.812) 41.765 11.808 ( -6.574 -0.000 7.894) 10.273 11.937 ( -0.609 -0.000 3.003) 3.064 12.251 ( 2.503 0.000 -2.489) 3.530 12.348 ( 0.902 0.000 3.286) 3.407 12.630 ( 4.759 0.000 2.795) 5.519 12.803 ( -2.279 -0.000 1.403) 2.677 13.327 ( 16.820 0.000 -8.395) 18.799 13.536 ( -7.433 -0.000 -0.768) 7.473 13.619 ( 2.752 0.000 -1.061) 2.950 13.680 ( 3.587 0.000 2.032) 4.123 13.909 ( 6.686 0.000 -1.583) 6.870 14.298 ( 45.024 0.000 1.735) 45.058 14.555 ( -2.606 -0.000 -1.864) 3.204 14.905 ( 32.355 0.000 2.791) 32.475 15.086 ( -1.379 -0.000 -0.653) 1.526 16.814 ( -84.791 -0.000 2.650) 84.832 17.311 ( 8.382 0.000 -7.276) 11.099 17.769 ( -6.346 -0.000 7.518) 9.839 18.390 ( 2.653 0.000 -4.427) 5.161 21.121 ( -1.557 -0.000 -0.916) 1.806 21.280 ( 2.796 0.000 -7.350) 7.864 21.699 ( 2.033 0.000 14.088) 14.234 21.726 ( -0.473 -0.000 2.865) 2.903 22.029 ( 1.614 0.000 -1.963) 2.541 22.796 ( -51.376 -0.000 -5.463) 51.666 22.946 ( 0.921 0.000 -0.738) 1.180 23.054 ( -9.090 -0.000 2.632) 9.463 23.254 ( -15.996 -0.000 -9.749) 18.733 23.599 ( -0.523 -0.000 -7.054) 7.073 23.693 ( 1.385 0.000 7.594) 7.719 23.866 ( 2.336 0.000 5.735) 6.193 24.018 ( 61.342 0.000 0.371) 61.344 24.038 ( -2.919 -0.000 -1.428) 3.249 24.342 ( 16.462 0.000 3.142) 16.759 24.507 ( -4.812 -0.000 -0.183) 4.816 ======================= Grid point 86 (27/140) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( -4.123 -10.998 22.796) 25.644 0.895 ( 9.678 -20.715 16.918) 28.443 1.324 ( 21.826 -16.289 29.531) 40.172 1.744 ( 0.772 -12.049 4.589) 12.917 2.060 ( -3.440 -5.685 -4.887) 8.248 2.187 ( -5.588 -6.864 0.585) 8.870 2.302 ( -0.205 -4.164 5.314) 6.754 2.512 ( -3.102 -7.860 -0.488) 8.464 2.598 ( 9.155 -4.908 -5.195) 11.614 2.667 ( -2.679 -3.541 0.540) 4.473 2.766 ( 0.614 -0.605 6.141) 6.202 3.015 ( -1.860 0.436 -8.687) 8.895 3.137 ( 3.851 0.196 3.027) 4.903 3.228 ( -1.492 1.330 -3.052) 3.649 3.277 ( 0.926 1.645 3.181) 3.699 3.673 ( -4.208 3.572 -2.617) 6.109 3.729 ( -1.944 1.801 -3.842) 4.668 3.812 ( 1.129 3.793 -3.182) 5.078 3.897 ( -1.136 -1.081 6.743) 6.923 4.012 ( -10.300 -0.264 -5.689) 11.770 4.056 ( -5.928 3.783 0.115) 7.033 4.216 ( 6.280 -4.255 -9.946) 12.509 4.401 ( 3.669 -2.001 4.002) 5.787 4.571 ( 2.560 -5.150 2.342) 6.209 4.801 ( 1.102 -0.098 -0.998) 1.490 4.848 ( -3.093 0.037 5.672) 6.460 5.055 ( 0.870 1.486 -7.219) 7.421 5.173 ( -1.718 1.788 1.654) 2.981 5.440 ( -2.410 5.652 4.359) 7.534 5.497 ( -2.556 7.581 6.267) 10.163 5.649 ( -3.012 5.362 0.769) 6.198 5.682 ( 2.527 -0.350 -10.392) 10.701 5.798 ( 2.503 -2.036 -3.072) 4.455 5.833 ( 0.830 -0.100 1.870) 2.049 5.950 ( 5.645 -0.447 0.454) 5.681 6.062 ( -3.163 1.985 5.957) 7.031 6.321 ( 2.318 4.342 0.745) 4.978 6.770 ( -2.557 -6.262 -10.359) 12.371 6.856 ( -0.731 -0.192 -2.231) 2.356 6.923 ( 15.025 5.513 -1.093) 16.041 7.633 ( -2.347 1.239 -3.990) 4.792 7.786 ( -3.178 -0.414 -1.669) 3.613 7.925 ( 1.273 -2.517 -5.398) 6.090 8.062 ( 2.341 3.951 -3.529) 5.792 8.088 ( 2.200 -4.653 3.077) 5.996 8.156 ( 1.941 0.011 -2.221) 2.950 8.385 ( 1.158 -0.986 4.528) 4.777 8.476 ( -4.077 -2.296 -0.748) 4.738 9.061 ( -7.256 6.054 14.593) 17.385 9.346 ( -4.724 -3.044 4.688) 7.319 9.419 ( -10.024 7.339 3.120) 12.809 9.719 ( 1.481 1.333 0.324) 2.018 9.728 ( 5.680 4.893 2.350) 7.857 10.328 ( -0.670 -15.183 -11.257) 18.913 10.465 ( 5.164 -1.714 3.305) 6.366 10.776 ( 1.226 -0.702 0.657) 1.558 11.023 ( 3.168 0.787 -0.762) 3.352 11.161 ( 1.065 -0.637 0.388) 1.300 11.252 ( 2.791 -1.684 -12.648) 13.061 11.354 ( -8.351 1.496 -3.715) 9.262 11.572 ( -15.375 -1.535 6.030) 16.587 11.842 ( -7.006 -4.240 7.156) 10.876 11.951 ( -3.195 -0.146 2.825) 4.267 12.250 ( 0.615 0.715 -2.049) 2.256 12.374 ( 0.112 0.779 4.808) 4.872 12.651 ( 5.639 4.340 4.253) 8.290 12.752 ( 0.757 3.398 3.120) 4.674 13.295 ( -2.732 4.333 -8.105) 9.588 13.459 ( 0.602 7.067 1.634) 7.278 13.639 ( -5.466 -3.627 -2.241) 6.932 13.738 ( 6.276 1.014 2.975) 7.019 13.947 ( 4.201 -1.414 -0.847) 4.513 14.213 ( 6.781 15.614 7.943) 18.784 14.380 ( -5.550 8.966 -3.411) 11.082 14.868 ( -6.342 -4.588 6.075) 9.908 15.462 ( -6.419 -14.310 -11.397) 19.388 16.610 ( 11.350 1.646 2.122) 11.664 17.397 ( 8.909 -2.315 -4.955) 10.453 17.930 ( -1.962 -14.135 -6.977) 15.885 18.406 ( 3.218 -1.607 -4.302) 5.608 21.056 ( -3.224 4.395 2.216) 5.884 21.290 ( 3.919 -1.615 -5.581) 7.008 21.668 ( -0.523 4.390 5.460) 7.026 21.779 ( -5.329 8.333 7.811) 12.604 21.876 ( 6.076 1.020 13.400) 14.748 22.551 ( -25.410 -2.314 -3.839) 25.802 22.936 ( 0.967 0.761 -0.271) 1.260 23.108 ( -3.475 -7.456 -1.877) 8.437 23.293 ( -13.174 -16.071 -6.559) 21.791 23.574 ( -1.844 -1.818 -5.983) 6.519 23.779 ( 1.974 -4.146 6.534) 7.986 23.913 ( 2.559 -0.201 5.229) 5.825 23.995 ( -2.950 1.275 -2.387) 4.003 24.153 ( 11.129 3.882 -7.300) 13.864 24.428 ( 3.796 5.307 -1.046) 6.608 24.507 ( 25.168 9.527 2.167) 26.998 ======================= Grid point 87 (28/140) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.002 ( 5.646 -13.436 15.959) 21.612 1.372 ( 8.557 -19.138 12.558) 24.438 1.817 ( 6.920 -14.554 4.056) 16.618 1.924 ( -2.672 -5.977 10.560) 12.425 2.134 ( 3.477 -8.582 3.842) 10.025 2.333 ( -7.393 -6.237 -0.199) 9.674 2.460 ( 0.892 -16.143 2.933) 16.431 2.682 ( -1.807 -12.390 -1.479) 12.609 2.723 ( -1.916 -5.852 3.816) 7.244 2.764 ( 9.528 -4.121 -0.342) 10.387 2.830 ( 2.115 -6.734 0.548) 7.080 2.953 ( 1.754 3.047 -6.291) 7.207 3.151 ( -4.167 3.051 -0.285) 5.172 3.180 ( 4.092 -0.441 -1.393) 4.345 3.305 ( 2.305 -1.362 3.566) 4.459 3.576 ( -4.374 4.213 -6.770) 9.095 3.618 ( -6.382 -2.812 -3.487) 7.797 3.705 ( -4.892 6.346 -3.114) 8.596 3.914 ( -1.456 -1.248 3.756) 4.217 3.946 ( -6.794 2.269 1.071) 7.242 4.053 ( 1.497 -4.798 1.684) 5.301 4.236 ( 6.922 1.736 -10.656) 12.825 4.494 ( 2.519 -1.712 3.897) 4.946 4.635 ( -6.159 -2.001 -3.245) 7.243 4.789 ( 7.751 0.525 3.705) 8.607 4.943 ( 2.963 -3.621 -1.452) 4.899 4.978 ( -3.223 0.549 -2.058) 3.863 5.138 ( -1.919 1.282 0.474) 2.356 5.318 ( -2.578 9.374 7.433) 12.238 5.395 ( -2.302 3.426 2.540) 4.846 5.534 ( -2.358 6.020 3.305) 7.261 5.615 ( -2.806 1.573 -9.149) 9.698 5.817 ( 3.701 0.365 -2.690) 4.590 5.870 ( 5.103 1.814 2.169) 5.834 5.966 ( 0.416 3.933 -0.819) 4.038 6.089 ( 1.720 -7.088 -0.971) 7.358 6.296 ( 0.374 0.869 -2.012) 2.223 6.716 ( 1.910 6.271 -0.104) 6.556 6.814 ( -1.046 2.286 -3.713) 4.484 6.930 ( -0.086 0.515 -1.197) 1.306 7.590 ( -3.351 -1.124 -2.865) 4.550 7.767 ( -1.436 0.521 -0.753) 1.703 7.909 ( 1.765 3.472 -2.901) 4.857 7.992 ( 1.468 5.090 -0.793) 5.356 8.114 ( 0.749 2.395 -1.888) 3.141 8.225 ( 1.295 -6.457 1.045) 6.668 8.429 ( 1.287 0.539 4.272) 4.494 8.484 ( -3.430 -2.147 -0.013) 4.047 8.955 ( -14.944 2.394 8.171) 17.199 9.300 ( -3.560 0.081 3.169) 4.767 9.439 ( 0.898 -3.357 5.113) 6.182 9.690 ( 3.492 4.512 3.874) 6.896 9.706 ( 4.664 3.437 -0.119) 5.795 10.437 ( -1.481 -7.057 -13.041) 14.902 10.587 ( 8.100 -3.879 3.440) 9.617 10.812 ( 1.144 -1.477 1.082) 2.159 11.045 ( 0.104 -1.967 -0.592) 2.057 11.177 ( -3.895 -0.880 1.014) 4.120 11.248 ( 2.557 -3.540 -9.286) 10.261 11.274 ( 0.652 0.880 -8.020) 8.094 11.569 ( -4.923 -3.394 3.228) 6.795 11.902 ( -8.112 -0.549 5.423) 9.773 11.937 ( -0.944 -3.044 5.911) 6.715 12.211 ( -0.784 2.860 -0.761) 3.062 12.340 ( -2.466 4.983 3.955) 6.823 12.624 ( 2.320 4.140 3.483) 5.886 12.738 ( 4.478 3.189 2.355) 5.980 13.150 ( -1.979 5.831 -3.525) 7.096 13.331 ( -1.124 8.842 5.863) 10.669 13.623 ( 0.909 0.911 -1.506) 1.981 13.755 ( -6.291 1.998 2.259) 6.976 13.970 ( -4.175 2.025 0.383) 4.656 14.081 ( 0.935 -1.608 -4.148) 4.545 14.318 ( 6.058 -0.313 -1.275) 6.199 14.918 ( -11.489 -5.083 3.797) 13.124 15.512 ( -7.228 -5.962 -4.597) 10.437 16.669 ( 15.160 5.055 -0.031) 15.981 17.470 ( 9.077 -0.464 -2.917) 9.546 18.056 ( 0.672 -6.232 -8.091) 10.235 18.446 ( 3.388 -2.401 -4.023) 5.782 20.975 ( -3.361 4.047 4.743) 7.083 21.327 ( 4.832 -1.105 -4.001) 6.370 21.633 ( -1.600 0.904 1.501) 2.372 21.676 ( -1.095 4.036 5.277) 6.733 21.999 ( 5.445 -0.272 13.054) 14.146 22.375 ( -13.106 2.891 -4.729) 14.229 22.945 ( 0.405 -0.928 0.926) 1.372 23.207 ( -3.498 -8.840 -4.573) 10.550 23.437 ( -8.022 -12.635 -2.028) 15.103 23.576 ( -3.109 -3.493 -4.107) 6.223 23.888 ( 1.077 -2.753 1.861) 3.493 23.937 ( -3.142 0.621 -0.656) 3.269 23.959 ( 2.733 -0.283 4.258) 5.068 24.119 ( 5.149 2.806 -6.208) 8.540 24.349 ( -1.213 3.343 -2.380) 4.279 24.498 ( 18.273 12.241 4.640) 22.479 ======================= Grid point 88 (29/140) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.319 ( 6.555 -9.574 12.425) 17.000 1.749 ( 4.333 -12.462 6.790) 14.838 1.930 ( -1.372 -9.539 -4.561) 10.662 2.147 ( 2.378 -4.886 11.485) 12.705 2.322 ( 2.250 -7.006 2.738) 7.852 2.362 ( -6.073 -3.645 3.185) 7.765 2.670 ( -4.817 -8.373 1.413) 9.762 2.738 ( 4.519 5.559 -0.586) 7.188 2.801 ( -2.175 -1.687 -4.544) 5.313 2.862 ( 2.137 -8.341 -4.561) 9.744 2.919 ( -2.284 -0.139 -0.825) 2.433 3.015 ( -0.446 -4.349 -2.876) 5.232 3.087 ( 1.352 -1.725 6.084) 6.466 3.242 ( 4.375 0.136 -2.299) 4.944 3.410 ( 1.236 -5.243 -0.131) 5.388 3.453 ( -3.382 -2.000 -4.367) 5.875 3.589 ( 2.399 0.948 0.036) 2.580 3.698 ( -0.945 -9.733 -2.592) 10.117 3.882 ( -4.274 1.927 4.778) 6.694 3.966 ( 1.718 -2.194 2.059) 3.465 4.140 ( 0.070 -3.790 -0.765) 3.867 4.184 ( 4.307 4.460 -4.205) 7.491 4.479 ( 0.569 4.736 -0.891) 4.853 4.591 ( -8.476 -1.219 -0.810) 8.602 4.853 ( 3.081 1.252 0.784) 3.417 4.897 ( 1.265 -0.362 -4.522) 4.709 5.051 ( 2.829 0.184 -0.104) 2.837 5.138 ( -4.501 -5.185 2.612) 7.346 5.228 ( -1.189 3.847 6.666) 7.788 5.341 ( -1.671 2.425 1.023) 3.117 5.464 ( -1.563 2.690 2.280) 3.857 5.545 ( -0.259 -0.515 -4.683) 4.718 5.807 ( 0.678 2.455 -0.587) 2.614 5.842 ( 3.878 5.139 -1.957) 6.729 5.913 ( -0.649 1.904 1.938) 2.794 6.209 ( 0.131 -5.979 -2.850) 6.624 6.269 ( 1.041 0.691 -3.290) 3.519 6.657 ( 2.618 3.319 -0.462) 4.252 6.732 ( 0.571 4.380 0.720) 4.476 6.895 ( -0.996 1.753 -2.388) 3.125 7.588 ( -4.199 -3.081 -2.076) 5.607 7.736 ( 0.291 2.374 0.275) 2.407 7.836 ( 2.117 6.180 -1.484) 6.699 7.903 ( -0.859 4.700 3.508) 5.928 8.089 ( 0.889 -0.162 -4.016) 4.117 8.315 ( 1.481 -1.697 1.420) 2.663 8.425 ( -2.427 0.200 1.259) 2.742 8.477 ( -2.168 1.199 1.687) 2.997 8.859 ( -10.813 0.443 5.064) 11.948 9.329 ( -5.273 -4.694 0.971) 7.126 9.515 ( 3.630 -0.224 5.378) 6.493 9.669 ( 8.896 5.612 3.336) 11.035 9.693 ( -2.277 -0.680 0.622) 2.456 10.462 ( 2.985 -3.657 -13.054) 13.881 10.734 ( 6.898 -4.140 3.768) 8.884 10.837 ( 0.748 -1.081 -0.496) 1.406 11.055 ( -2.733 -1.515 -6.271) 7.007 11.153 ( -2.080 0.221 -0.265) 2.108 11.251 ( 5.397 1.034 -3.375) 6.449 11.340 ( 1.465 -8.130 -4.523) 9.418 11.608 ( -4.152 -1.675 2.595) 5.175 11.835 ( -5.878 1.163 2.832) 6.627 12.027 ( -3.107 -1.826 6.877) 7.764 12.166 ( 3.790 2.821 0.123) 4.726 12.230 ( -5.101 4.208 2.798) 7.180 12.574 ( -1.288 3.904 1.297) 4.311 12.720 ( 1.913 3.228 3.396) 5.061 13.078 ( 7.756 3.687 -2.126) 8.847 13.205 ( -3.892 7.567 4.459) 9.607 13.579 ( -13.005 5.615 -2.556) 14.394 13.628 ( 2.006 0.026 1.087) 2.282 13.937 ( -3.295 -1.343 -1.024) 3.702 14.186 ( 7.688 -5.843 -2.948) 10.096 14.377 ( 2.552 -2.326 -0.823) 3.550 14.891 ( -12.564 -1.406 2.300) 12.850 15.543 ( -2.403 -3.799 -1.408) 4.711 16.679 ( 8.030 4.164 1.444) 9.160 17.520 ( 7.460 0.337 -3.161) 8.109 18.099 ( 0.282 -2.683 -3.969) 4.799 18.492 ( 3.144 -2.091 -3.683) 5.275 20.916 ( -3.056 2.972 5.160) 6.693 21.350 ( 4.289 0.646 -3.205) 5.393 21.609 ( -3.425 -0.522 -0.887) 3.576 21.673 ( 2.116 0.052 2.831) 3.535 22.069 ( 4.320 3.105 10.245) 11.544 22.233 ( -5.710 2.877 -3.055) 7.087 22.974 ( -1.569 -2.020 1.734) 3.090 23.294 ( -3.865 -7.993 -6.921) 11.257 23.558 ( -4.774 -7.904 -1.349) 9.331 23.610 ( -3.265 -5.093 -0.592) 6.079 23.854 ( -0.100 2.506 -2.699) 3.684 23.954 ( -1.397 -0.179 3.054) 3.363 23.999 ( 3.793 1.258 2.206) 4.565 24.104 ( 2.242 -1.125 -4.408) 5.072 24.290 ( -0.599 1.595 -1.564) 2.312 24.443 ( 10.595 9.602 4.516) 14.994 ======================= Grid point 89 (30/140) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 0.121 -1.717 11.390) 11.519 1.903 ( -0.593 -4.283 -1.141) 4.472 2.064 ( 0.903 -1.434 -2.268) 2.831 2.234 ( -0.797 -2.577 6.130) 6.697 2.342 ( -1.316 0.327 3.830) 4.063 2.459 ( 0.767 -2.138 5.268) 5.737 2.631 ( 0.616 4.320 -7.323) 8.525 2.715 ( -4.882 -1.605 0.624) 5.177 2.765 ( 0.374 8.051 -2.374) 8.402 2.840 ( -0.740 -4.540 -7.535) 8.829 2.969 ( 1.322 -3.475 -3.579) 5.160 3.090 ( 0.300 -2.011 -0.477) 2.088 3.178 ( 4.030 -0.332 3.443) 5.311 3.206 ( -2.057 -3.208 0.806) 3.895 3.393 ( -2.923 0.572 -2.867) 4.134 3.479 ( -0.092 -1.266 -0.729) 1.464 3.776 ( 4.363 -7.171 -0.434) 8.405 3.814 ( 2.579 -3.961 2.711) 5.449 3.899 ( 2.944 -1.697 4.701) 5.801 3.983 ( -0.495 3.106 1.103) 3.334 4.111 ( 2.975 2.185 -3.327) 4.970 4.202 ( 0.880 -0.862 1.519) 1.956 4.411 ( 1.330 1.704 -1.857) 2.850 4.535 ( -7.962 -1.050 0.597) 8.053 4.829 ( -1.020 2.267 -3.672) 4.434 4.913 ( -1.952 -3.042 2.230) 4.247 5.075 ( 3.781 -1.321 -3.728) 5.472 5.171 ( -2.255 0.310 4.049) 4.645 5.196 ( 0.018 2.895 2.495) 3.822 5.313 ( -6.169 -2.765 -2.292) 7.138 5.442 ( 1.144 0.216 2.992) 3.210 5.582 ( 1.285 -1.925 -0.205) 2.324 5.720 ( -0.168 7.369 3.633) 8.218 5.797 ( 2.026 0.103 -3.864) 4.365 5.923 ( 0.680 -1.411 2.832) 3.236 6.233 ( -1.487 -0.312 -1.170) 1.918 6.289 ( -0.825 -3.499 -3.861) 5.276 6.588 ( -1.357 2.513 -4.869) 5.645 6.761 ( 7.817 -0.234 7.237) 10.655 6.848 ( 0.487 1.696 -3.358) 3.793 7.610 ( -3.373 -4.253 -1.764) 5.707 7.704 ( 1.106 2.043 0.878) 2.484 7.731 ( 0.848 5.535 -0.191) 5.603 7.874 ( -1.007 1.138 2.874) 3.251 8.095 ( 1.029 -2.400 -4.326) 5.053 8.302 ( -2.346 2.923 1.704) 4.117 8.404 ( -3.623 1.087 1.195) 3.966 8.458 ( -1.189 -1.037 -0.221) 1.593 8.825 ( -2.400 1.017 5.297) 5.903 9.366 ( -8.703 -6.947 -2.651) 11.447 9.523 ( 3.623 6.415 6.442) 9.787 9.664 ( 1.366 3.579 1.668) 4.178 9.704 ( 3.174 -1.734 0.629) 3.671 10.505 ( 8.172 -2.936 -9.303) 12.726 10.780 ( -0.319 1.644 -1.240) 2.083 10.922 ( 3.989 -3.591 1.714) 5.634 11.011 ( 0.106 -1.219 -9.114) 9.196 11.141 ( -0.824 0.169 -0.477) 0.967 11.273 ( 3.894 0.394 1.155) 4.081 11.478 ( 0.479 -8.860 -5.281) 10.325 11.524 ( -6.596 6.000 3.592) 9.613 11.854 ( -3.148 -3.863 2.748) 5.691 11.998 ( -3.487 3.335 5.546) 7.351 12.073 ( 6.609 8.203 -5.131) 11.717 12.284 ( -4.712 -6.910 7.709) 11.375 12.503 ( -2.061 2.934 1.177) 3.774 12.696 ( -0.843 2.231 4.367) 4.975 13.042 ( -8.213 4.285 -5.220) 10.633 13.123 ( 16.113 3.335 1.581) 16.530 13.423 ( -7.051 2.314 -2.017) 7.690 13.657 ( 0.771 -1.114 1.935) 2.363 13.926 ( -1.961 -0.400 -1.525) 2.516 14.324 ( 6.211 -4.715 -1.477) 7.937 14.411 ( -1.682 -1.380 -0.036) 2.176 14.821 ( -7.767 0.603 1.390) 7.914 15.582 ( 0.566 -1.666 0.635) 1.871 16.681 ( 0.989 0.545 2.530) 2.771 17.543 ( 4.098 0.150 -3.633) 5.478 18.131 ( -0.073 -2.667 -0.723) 2.764 18.523 ( 2.544 -0.859 -3.477) 4.393 20.876 ( -2.854 1.934 4.649) 5.788 21.344 ( 3.030 1.170 -3.609) 4.855 21.592 ( -3.354 -0.773 -1.486) 3.749 21.708 ( 2.243 -0.698 1.849) 2.989 22.061 ( 2.720 5.771 6.472) 9.088 22.173 ( 0.908 0.586 -0.716) 1.296 22.994 ( -3.544 -1.665 1.183) 4.091 23.343 ( -3.675 -5.287 -8.284) 10.492 23.627 ( -1.366 -4.433 0.358) 4.652 23.666 ( -2.019 -2.836 0.298) 3.494 23.813 ( 0.085 1.335 -1.494) 2.005 23.949 ( -2.281 -0.071 2.326) 3.259 23.986 ( 4.251 4.296 -0.281) 6.050 24.137 ( -0.402 -3.294 -1.784) 3.768 24.272 ( 0.262 0.015 -0.181) 0.319 24.394 ( 5.146 5.434 3.517) 8.269 ======================= Grid point 90 (31/140) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.479 ( -10.100 5.775 10.661) 15.780 1.811 ( -5.667 11.705 -4.434) 13.740 1.994 ( 1.581 6.621 1.104) 6.896 2.271 ( 0.140 0.995 2.650) 2.834 2.366 ( 2.593 3.276 1.767) 4.536 2.428 ( -2.774 6.005 1.601) 6.805 2.572 ( 2.390 0.810 -1.853) 3.131 2.609 ( 1.996 5.635 -6.379) 8.742 2.716 ( -0.099 -0.781 -5.020) 5.082 2.934 ( 2.262 -6.818 -4.782) 8.629 2.988 ( 1.683 0.300 1.586) 2.332 3.097 ( -3.749 0.799 -1.515) 4.122 3.135 ( 1.690 3.300 2.632) 4.547 3.296 ( 0.681 2.378 -5.665) 6.182 3.390 ( -1.926 -5.605 5.009) 7.760 3.498 ( 3.668 -2.336 -0.337) 4.361 3.751 ( -6.789 8.956 -0.625) 11.255 3.853 ( -6.525 2.971 6.047) 9.380 3.900 ( 5.447 4.940 1.899) 7.595 3.993 ( 6.854 -4.397 2.340) 8.473 4.109 ( 4.108 4.613 5.588) 8.330 4.218 ( 3.509 -2.650 -8.552) 9.616 4.438 ( 0.630 -1.733 -0.803) 2.011 4.536 ( -2.440 -3.225 1.392) 4.277 4.751 ( -0.643 2.441 -5.612) 6.153 4.946 ( -9.040 -3.242 2.378) 9.894 5.097 ( 4.136 1.047 -0.765) 4.334 5.137 ( -1.569 3.317 1.193) 3.859 5.197 ( 1.537 -3.264 1.546) 3.925 5.313 ( -3.749 -1.940 -1.984) 4.665 5.461 ( 0.906 2.767 5.446) 6.176 5.594 ( 0.462 -0.972 -1.722) 2.031 5.689 ( -1.349 -3.444 3.325) 4.974 5.816 ( 1.960 -1.098 -2.763) 3.561 5.991 ( 2.807 -3.600 3.484) 5.743 6.201 ( -5.842 0.476 -2.788) 6.491 6.323 ( -1.233 -3.380 -0.878) 3.704 6.523 ( -1.853 2.155 -2.959) 4.102 6.818 ( 4.853 1.864 -3.936) 6.520 6.887 ( 6.263 -3.336 6.678) 9.745 7.661 ( -1.303 -5.079 -1.750) 5.528 7.690 ( -0.046 -0.828 -0.486) 0.961 7.718 ( 3.797 -1.001 1.794) 4.317 7.856 ( -2.981 0.230 1.416) 3.308 8.150 ( 1.764 -5.021 -4.425) 6.921 8.236 ( -7.031 1.176 2.168) 7.451 8.360 ( -1.865 1.657 0.290) 2.511 8.471 ( 1.996 0.284 0.641) 2.116 8.819 ( 0.773 2.138 4.154) 4.735 9.408 ( -5.171 -3.151 -3.385) 6.937 9.436 ( -3.464 3.200 4.576) 6.571 9.608 ( 4.265 5.711 0.275) 7.133 9.760 ( 0.131 -1.756 2.438) 3.007 10.580 ( 8.731 -1.017 -5.515) 10.377 10.722 ( 0.013 2.556 -3.378) 4.236 10.895 ( -0.067 4.220 -1.681) 4.542 11.042 ( 0.339 1.232 -5.730) 5.871 11.163 ( 1.235 -5.185 1.652) 5.580 11.290 ( 1.783 1.643 2.119) 3.220 11.374 ( -1.126 4.501 -6.134) 7.691 11.621 ( -1.481 -7.145 0.918) 7.355 11.856 ( -1.063 2.772 3.337) 4.466 11.950 ( 0.173 4.161 4.864) 6.403 12.028 ( 3.433 -1.323 -3.986) 5.424 12.376 ( -6.943 -3.581 10.023) 12.708 12.464 ( 1.116 1.720 -1.039) 2.298 12.700 ( -1.089 -2.006 4.606) 5.140 12.893 ( -8.258 1.851 -5.659) 10.181 13.231 ( 17.355 0.397 -0.945) 17.386 13.365 ( -1.892 -0.772 -2.908) 3.554 13.692 ( -0.554 -1.753 2.687) 3.256 13.907 ( 0.879 1.226 -2.070) 2.562 14.392 ( -3.531 1.148 1.181) 3.896 14.395 ( -2.420 -1.793 -1.109) 3.209 14.797 ( 2.916 0.340 0.732) 3.026 15.603 ( 3.076 1.627 1.282) 3.708 16.710 ( -6.382 -4.988 3.434) 8.798 17.545 ( -0.459 -0.715 -2.878) 3.001 18.187 ( 0.340 -4.173 0.147) 4.189 18.524 ( 1.852 0.743 -3.490) 4.020 20.854 ( -2.624 0.632 4.155) 4.955 21.334 ( 2.454 0.013 -4.448) 5.080 21.561 ( -3.334 0.632 -0.772) 3.480 21.744 ( 1.771 -0.508 1.871) 2.626 21.975 ( -0.382 7.498 1.824) 7.726 22.233 ( 8.430 -2.527 3.379) 9.427 22.990 ( -3.609 -0.824 0.600) 3.751 23.330 ( -2.423 -0.646 -8.267) 8.639 23.660 ( -0.059 2.793 0.563) 2.850 23.696 ( 1.040 -2.479 2.886) 3.944 23.786 ( -0.935 0.588 -2.114) 2.385 23.917 ( -1.132 2.922 -3.287) 4.542 23.967 ( -0.882 -1.067 2.870) 3.187 24.185 ( -2.056 -4.089 -1.440) 4.798 24.283 ( 1.138 -0.031 0.722) 1.348 24.378 ( 1.223 0.950 3.114) 3.478 ======================= Grid point 91 (32/140) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -18.286 10.667 11.540) 24.111 1.463 ( -7.740 20.475 -1.474) 21.939 1.858 ( 0.971 14.374 2.868) 14.690 2.135 ( 1.091 15.775 -3.345) 16.163 2.283 ( 1.245 6.500 4.187) 7.832 2.335 ( -0.244 3.157 -2.743) 4.190 2.533 ( 5.521 4.761 -3.226) 7.972 2.599 ( 5.381 0.612 -1.381) 5.589 2.732 ( 1.636 -3.980 -5.526) 7.004 2.902 ( -1.995 7.659 -0.289) 7.919 2.950 ( 1.809 10.884 0.706) 11.056 3.059 ( -4.316 1.898 -0.010) 4.715 3.131 ( -0.581 -3.740 -1.021) 3.920 3.245 ( -4.223 1.769 -0.056) 4.579 3.360 ( -3.722 5.404 -0.521) 6.583 3.489 ( -3.117 3.763 -0.123) 4.888 3.713 ( 8.356 -9.486 3.840) 13.212 3.843 ( -2.191 -0.603 4.195) 4.771 3.861 ( 6.756 6.724 3.147) 10.038 4.084 ( 6.418 4.531 7.589) 10.923 4.095 ( 2.557 -1.218 0.919) 2.978 4.261 ( 3.320 -3.594 -9.680) 10.846 4.369 ( -7.484 3.458 -5.916) 10.147 4.617 ( -0.334 -5.243 2.017) 5.628 4.706 ( 0.266 1.200 -3.528) 3.736 4.924 ( -3.129 -0.949 -1.264) 3.506 5.096 ( -5.067 -2.522 2.294) 6.107 5.113 ( 5.069 2.792 2.520) 6.312 5.304 ( -0.100 -0.418 0.606) 0.743 5.314 ( 0.908 -6.783 -0.975) 6.913 5.404 ( -4.659 3.578 6.277) 8.597 5.634 ( 0.859 -3.995 -2.113) 4.600 5.780 ( -3.768 -4.955 1.522) 6.409 5.823 ( 5.844 0.733 -4.618) 7.485 6.101 ( 4.103 -0.900 -5.902) 7.244 6.106 ( -7.526 0.984 6.553) 10.027 6.380 ( -2.253 -5.463 0.299) 5.917 6.454 ( -4.404 1.215 -0.813) 4.640 6.815 ( 6.600 0.977 -5.856) 8.877 6.997 ( 5.041 -0.424 3.956) 6.422 7.718 ( -1.959 -2.583 -0.665) 3.310 7.746 ( 1.405 -5.213 -1.237) 5.539 7.813 ( 2.088 -5.275 3.252) 6.539 7.867 ( 1.063 -4.039 -1.048) 4.306 8.176 ( -7.491 -1.107 0.181) 7.574 8.239 ( 2.213 -3.322 -0.500) 4.023 8.314 ( 0.594 3.491 -0.739) 3.617 8.493 ( 3.184 -0.078 2.341) 3.953 8.791 ( -0.742 3.374 2.884) 4.500 9.314 ( 4.428 6.192 1.254) 7.715 9.502 ( -9.867 -10.171 0.140) 14.171 9.528 ( 5.246 8.813 0.619) 10.275 9.783 ( -4.810 -1.885 2.804) 5.878 10.535 ( -3.602 3.972 -5.180) 7.455 10.722 ( 11.689 2.844 -5.521) 13.236 10.831 ( 1.151 3.086 2.595) 4.194 10.950 ( -1.769 4.543 -2.781) 5.613 11.251 ( 3.063 3.326 -1.081) 4.649 11.261 ( 1.973 1.426 -2.997) 3.861 11.330 ( 1.393 -5.165 -3.907) 6.624 11.649 ( -3.378 1.694 -1.319) 4.002 11.872 ( 5.710 -0.727 5.295) 7.821 11.934 ( -2.598 0.195 8.032) 8.444 12.077 ( 0.354 -4.477 -3.254) 5.546 12.376 ( 0.599 4.449 7.085) 8.388 12.471 ( -2.706 -3.146 0.236) 4.156 12.726 ( -6.913 -0.038 0.798) 6.959 12.879 ( -0.420 -8.481 -0.865) 8.536 13.322 ( 10.082 1.633 2.153) 10.438 13.402 ( 3.346 -5.239 -7.367) 9.639 13.740 ( 1.956 -1.989 2.397) 3.678 13.876 ( 3.728 3.252 -2.635) 5.605 14.297 ( -7.609 5.181 0.677) 9.230 14.384 ( -4.785 -1.221 -0.633) 4.979 14.842 ( 9.566 1.506 0.770) 9.715 15.581 ( 6.257 5.674 0.004) 8.446 16.784 ( -14.484 -11.047 4.301) 18.717 17.532 ( -5.484 -1.388 -0.844) 5.720 18.275 ( 0.461 -6.207 -1.973) 6.529 18.495 ( 1.465 1.998 -3.700) 4.453 20.860 ( -2.194 -1.188 4.871) 5.473 21.338 ( 2.254 -1.010 -6.174) 6.650 21.525 ( -2.284 1.066 2.352) 3.448 21.761 ( 0.362 0.496 0.114) 0.624 21.844 ( -1.486 7.638 2.426) 8.151 22.403 ( 14.613 -4.340 6.018) 16.388 22.979 ( -2.564 -0.571 0.499) 2.674 23.260 ( 0.871 3.669 -6.158) 7.221 23.577 ( -1.099 6.227 -0.746) 6.367 23.740 ( 1.262 0.769 3.157) 3.485 23.760 ( -1.427 -0.334 -3.285) 3.597 23.842 ( -1.053 2.776 -3.280) 4.424 24.004 ( -2.418 -2.889 2.620) 4.589 24.212 ( -5.737 -3.769 -3.799) 7.845 24.288 ( 0.600 0.220 0.135) 0.653 24.416 ( -1.504 -3.313 3.701) 5.190 ======================= Grid point 92 (33/140) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( -17.779 15.287 14.689) 27.668 1.041 ( -9.968 21.840 7.547) 25.165 1.477 ( -9.350 29.210 2.715) 30.790 1.851 ( 4.039 16.430 -1.389) 16.976 2.201 ( 2.522 6.466 2.252) 7.296 2.310 ( 3.493 1.536 -1.567) 4.125 2.442 ( 2.159 10.166 -0.342) 10.398 2.581 ( 7.612 7.301 -5.406) 11.852 2.675 ( -0.476 10.335 3.059) 10.789 2.756 ( -4.573 8.205 1.340) 9.489 2.864 ( 0.780 -0.595 0.263) 1.016 2.933 ( -3.259 -0.237 -1.408) 3.558 3.111 ( -3.950 1.852 0.056) 4.363 3.231 ( 0.044 -0.754 -0.455) 0.881 3.283 ( 0.505 0.766 -1.024) 1.375 3.560 ( 3.386 -6.292 -1.243) 7.253 3.792 ( 0.656 5.008 5.057) 7.147 3.867 ( 1.132 -1.687 -1.363) 2.446 3.920 ( 4.295 -4.682 1.101) 6.448 4.063 ( 1.348 7.477 4.330) 8.745 4.138 ( 6.031 0.295 3.390) 6.925 4.251 ( -2.722 -3.595 -4.007) 6.033 4.290 ( -1.692 -2.461 -10.988) 11.387 4.630 ( -2.290 4.484 -1.503) 5.254 4.729 ( -0.502 -6.544 3.441) 7.410 4.921 ( 0.758 1.268 -1.981) 2.471 5.108 ( 2.587 2.335 1.551) 3.815 5.162 ( -1.777 -3.613 4.916) 6.354 5.270 ( -7.602 -0.990 0.940) 7.724 5.350 ( 2.322 -3.572 0.187) 4.265 5.516 ( 1.341 -9.885 2.236) 10.223 5.682 ( 0.777 -1.104 -2.506) 2.846 5.808 ( -3.157 -3.978 -1.061) 5.188 5.832 ( 8.304 3.085 -4.332) 9.861 5.996 ( -7.673 1.366 -3.354) 8.485 6.095 ( -0.242 6.478 2.831) 7.073 6.389 ( -7.389 1.322 3.954) 8.484 6.532 ( 2.916 -9.811 -1.147) 10.299 6.831 ( 7.725 0.059 -7.131) 10.513 6.993 ( 3.406 5.563 -0.842) 6.577 7.717 ( -3.172 -0.387 -0.613) 3.254 7.831 ( 2.116 -3.754 -0.996) 4.423 7.925 ( -0.834 -5.890 -1.595) 6.159 7.975 ( 4.215 -4.498 -1.428) 6.328 8.147 ( -4.116 -0.437 0.882) 4.232 8.206 ( -0.075 6.272 -1.322) 6.410 8.312 ( 2.944 -0.627 0.216) 3.018 8.544 ( 1.527 -1.174 3.240) 3.769 8.753 ( 1.144 2.119 7.837) 8.199 9.326 ( 7.213 -1.078 2.071) 7.581 9.410 ( 2.458 8.040 1.257) 8.500 9.606 ( -8.186 -9.779 1.026) 12.794 9.781 ( -7.722 -2.015 2.537) 8.374 10.426 ( -1.023 3.531 -4.032) 5.456 10.679 ( 7.789 7.163 -8.873) 13.810 10.801 ( -0.733 2.734 -2.780) 3.967 10.889 ( 3.157 3.099 7.024) 8.301 11.184 ( 4.934 4.436 -4.660) 8.107 11.232 ( 3.882 2.090 -4.408) 6.234 11.462 ( 4.483 -6.901 1.141) 8.308 11.566 ( -4.050 2.868 -0.540) 4.992 11.949 ( -2.769 -0.067 6.616) 7.172 11.963 ( 3.186 -1.712 5.169) 6.309 12.153 ( 0.571 -5.123 -1.525) 5.375 12.352 ( 5.888 4.107 4.339) 8.388 12.500 ( -3.994 -2.994 1.602) 5.242 12.673 ( -7.483 -0.680 1.907) 7.752 13.085 ( 1.767 -13.369 3.845) 14.023 13.381 ( 8.973 1.552 2.757) 9.514 13.464 ( -0.770 -5.219 -8.700) 10.174 13.800 ( 6.813 0.616 0.717) 6.879 13.831 ( 5.440 4.453 -3.179) 7.715 14.112 ( -7.781 9.063 -2.231) 12.152 14.389 ( -4.329 -4.080 0.995) 6.031 14.869 ( 8.512 4.718 1.939) 9.923 15.509 ( 11.950 10.231 -3.433) 16.101 16.893 ( -23.732 -16.661 4.351) 29.321 17.501 ( -10.313 -2.081 1.343) 10.607 18.356 ( -3.537 -6.562 -9.849) 12.352 18.451 ( 1.689 2.341 -4.157) 5.061 20.914 ( -1.603 -3.721 8.027) 8.991 21.331 ( 1.962 -0.276 -8.531) 8.758 21.536 ( 0.007 -1.155 8.001) 8.084 21.690 ( -3.047 4.259 -1.681) 5.500 21.782 ( 0.232 2.957 6.316) 6.978 22.643 ( 18.513 -4.601 7.559) 20.519 22.982 ( -1.099 -1.549 -0.286) 1.921 23.188 ( 10.111 6.756 -0.344) 12.165 23.439 ( -3.960 6.185 -4.793) 8.770 23.706 ( -0.772 1.883 -3.313) 3.888 23.738 ( 0.156 2.759 -1.802) 3.299 23.802 ( 1.445 1.694 4.544) 5.060 24.040 ( -2.765 -2.434 1.448) 3.958 24.166 ( -17.273 -3.995 -10.696) 20.706 24.292 ( -0.340 -0.675 -0.709) 1.036 24.481 ( -2.957 -3.939 3.312) 5.936 ======================= Grid point 93 (34/140) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.665 ( 0.383 21.436 20.341) 29.554 0.709 ( -14.115 16.859 19.982) 29.711 0.870 ( -15.114 29.783 16.184) 37.113 1.677 ( 3.608 8.341 3.278) 9.661 2.114 ( 1.107 8.455 -0.755) 8.561 2.205 ( 5.035 10.916 -1.373) 12.100 2.312 ( -8.326 1.296 6.017) 10.354 2.480 ( 9.810 5.766 -6.926) 13.321 2.553 ( 0.117 5.598 2.973) 6.339 2.693 ( -1.471 0.070 2.122) 2.583 2.758 ( -2.750 4.796 -1.582) 5.750 3.074 ( -1.660 0.069 2.125) 2.697 3.080 ( 1.238 -8.635 -1.528) 8.856 3.236 ( 0.681 -0.133 -0.735) 1.011 3.269 ( 0.708 0.496 -1.547) 1.773 3.645 ( 4.852 0.266 0.618) 4.898 3.786 ( 0.405 -1.242 -2.450) 2.776 3.855 ( 0.222 3.706 2.339) 4.388 3.896 ( -2.462 0.352 -4.119) 4.812 4.067 ( 2.284 -3.804 0.892) 4.525 4.205 ( 5.337 0.192 -4.972) 7.297 4.247 ( -8.423 -2.436 -3.432) 9.416 4.318 ( 0.665 -4.027 0.942) 4.189 4.521 ( -1.146 5.702 -0.095) 5.817 4.831 ( -3.332 5.568 0.965) 6.560 4.859 ( -1.827 -5.515 3.199) 6.633 5.104 ( -0.210 0.138 -0.836) 0.873 5.178 ( -1.058 -3.168 2.446) 4.140 5.378 ( 2.664 -8.084 1.029) 8.574 5.460 ( 1.179 -6.181 5.335) 8.250 5.675 ( -0.753 -3.413 0.545) 3.537 5.690 ( 2.809 -3.841 -3.958) 6.189 5.784 ( 4.326 3.380 -3.792) 6.672 5.871 ( -3.100 -1.154 -0.347) 3.326 5.923 ( -1.149 0.448 -2.980) 3.225 6.012 ( 2.644 1.320 6.103) 6.781 6.287 ( -5.383 6.406 5.644) 10.093 6.662 ( 14.764 6.752 -2.924) 16.496 6.843 ( 4.841 0.472 -7.435) 8.884 6.891 ( 1.716 4.321 -3.659) 5.917 7.692 ( -2.032 0.110 -1.464) 2.507 7.869 ( -2.293 -1.585 -3.867) 4.766 7.953 ( 0.489 0.074 -4.566) 4.592 8.016 ( 3.098 2.685 0.169) 4.103 8.102 ( -1.389 0.335 -1.891) 2.370 8.155 ( 0.673 1.072 -2.341) 2.662 8.332 ( 1.123 0.425 3.061) 3.288 8.536 ( -2.479 1.674 -0.668) 3.065 8.877 ( 6.748 -4.943 17.726) 19.600 9.337 ( 0.729 2.913 3.261) 4.433 9.475 ( 5.430 -9.555 3.209) 11.449 9.697 ( -3.306 -4.954 0.638) 5.990 9.764 ( -10.764 -3.453 2.775) 11.640 10.348 ( 6.435 8.242 -7.929) 13.123 10.498 ( -1.983 10.217 -6.861) 12.465 10.760 ( -0.016 0.482 -0.329) 0.584 10.947 ( 5.895 -2.458 3.694) 7.378 11.147 ( 3.648 1.570 -3.067) 5.018 11.215 ( 10.148 3.154 -6.478) 12.446 11.490 ( 0.521 3.814 2.336) 4.502 11.655 ( -4.039 -12.391 6.354) 14.499 11.928 ( -3.511 1.105 1.799) 4.097 12.030 ( -3.168 -1.855 0.547) 3.712 12.227 ( 4.065 -1.813 -0.453) 4.474 12.355 ( 2.432 2.638 3.268) 4.853 12.551 ( 0.160 -4.451 3.033) 5.389 12.678 ( -2.939 -3.759 9.374) 10.519 13.325 ( 13.837 5.499 2.656) 15.125 13.411 ( 0.134 -10.127 0.297) 10.132 13.556 ( 5.476 -8.609 1.544) 10.319 13.759 ( 3.479 10.964 -3.618) 12.058 13.792 ( 9.400 3.793 -0.465) 10.147 13.944 ( 0.134 1.969 1.997) 2.808 14.471 ( -1.939 -7.737 0.466) 7.990 14.826 ( 3.418 7.193 4.432) 9.114 15.371 ( 20.752 19.097 -8.629) 29.492 17.013 ( -40.087 -24.349 1.400) 46.923 17.453 ( -16.980 -3.147 -0.526) 17.277 18.210 ( -18.498 10.765 -27.521) 34.864 18.408 ( 1.973 1.679 -4.381) 5.089 21.044 ( -0.611 -7.182 8.298) 10.992 21.304 ( 2.465 0.409 -8.259) 8.629 21.615 ( 0.737 0.142 8.198) 8.232 21.697 ( 0.116 -9.051 9.730) 13.289 21.774 ( -2.233 -1.700 8.058) 8.533 22.851 ( 4.775 -5.066 2.602) 7.432 22.988 ( -3.660 -1.575 -5.361) 6.680 23.242 ( 0.534 4.161 -4.576) 6.208 23.336 ( 44.044 7.878 10.186) 45.888 23.656 ( 2.641 1.977 -4.956) 5.953 23.684 ( 1.856 4.509 5.138) 7.083 23.825 ( 1.744 0.449 5.509) 5.796 23.896 ( -43.502 2.661 -21.218) 48.474 24.053 ( -2.712 -1.165 -0.000) 2.952 24.297 ( -0.141 -0.676 -0.747) 1.018 24.520 ( -3.797 -2.061 1.809) 4.683 ======================= Grid point 95 (35/140) ======================= q-point: ( 0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.761 ( 12.205 0.000 19.446) 22.959 0.877 ( 16.388 0.000 20.059) 25.902 1.465 ( 8.824 0.000 10.657) 13.835 1.689 ( 13.712 0.000 20.581) 24.730 1.948 ( -4.186 -0.000 -2.062) 4.666 2.089 ( -10.243 -0.000 2.797) 10.618 2.342 ( 7.933 0.000 4.622) 9.181 2.378 ( -8.918 -0.000 -2.061) 9.153 2.582 ( -1.927 -0.000 1.123) 2.230 2.638 ( 9.421 0.000 -5.048) 10.689 2.808 ( -0.020 -0.000 9.301) 9.301 2.918 ( -4.499 -0.000 -12.947) 13.707 3.183 ( 5.154 0.000 1.153) 5.281 3.201 ( -3.601 -0.000 -5.004) 6.165 3.317 ( 0.091 0.000 1.951) 1.953 3.656 ( -5.772 -0.000 -1.300) 5.916 3.775 ( -3.753 -0.000 -6.705) 7.684 3.807 ( 3.745 0.000 0.200) 3.751 3.910 ( -3.200 -0.000 -1.932) 3.738 3.922 ( -12.345 -0.000 7.042) 14.212 4.066 ( -3.129 -0.000 3.174) 4.457 4.139 ( 8.521 0.000 -11.305) 14.157 4.417 ( 1.253 0.000 3.875) 4.073 4.528 ( -3.327 -0.000 -2.287) 4.038 4.826 ( 7.286 0.000 0.574) 7.309 4.874 ( 0.448 0.000 7.348) 7.362 5.066 ( 4.039 0.000 -6.606) 7.743 5.171 ( -3.682 -0.000 -0.123) 3.684 5.447 ( -7.734 -0.000 1.358) 7.853 5.541 ( -6.818 -0.000 -0.852) 6.871 5.653 ( -2.114 -0.000 -5.837) 6.208 5.724 ( -1.591 -0.000 8.694) 8.838 5.729 ( 4.049 0.000 -5.152) 6.552 5.877 ( 3.508 0.000 0.394) 3.530 6.030 ( 8.033 0.000 1.288) 8.136 6.081 ( 0.578 0.000 7.499) 7.521 6.447 ( -1.451 -0.000 3.143) 3.462 6.570 ( -4.764 -0.000 -11.550) 12.494 6.791 ( -2.092 -0.000 -4.920) 5.347 7.137 ( 16.936 0.000 -5.800) 17.902 7.622 ( -0.868 -0.000 -4.334) 4.420 7.762 ( -1.231 -0.000 -0.670) 1.402 7.850 ( -0.463 -0.000 -5.959) 5.977 8.070 ( 0.750 0.000 1.678) 1.838 8.139 ( 6.534 0.000 -4.197) 7.766 8.144 ( 1.774 0.000 -1.501) 2.324 8.409 ( 0.761 0.000 5.836) 5.885 8.414 ( -4.704 -0.000 -0.578) 4.739 9.105 ( -21.192 -0.000 12.007) 24.357 9.257 ( -8.742 -0.000 2.290) 9.037 9.440 ( -5.602 -0.000 6.417) 8.518 9.752 ( 1.990 0.000 -0.504) 2.052 9.826 ( 4.509 0.000 4.617) 6.454 10.131 ( 1.688 0.000 -3.583) 3.960 10.513 ( 7.338 0.000 3.491) 8.126 10.777 ( 0.221 0.000 0.316) 0.386 11.048 ( 2.894 0.000 -4.285) 5.171 11.120 ( -14.712 -0.000 -2.945) 15.004 11.175 ( 1.276 0.000 2.441) 2.754 11.287 ( -5.148 -0.000 -7.614) 9.191 11.481 ( -8.471 -0.000 9.906) 13.034 11.825 ( -0.754 -0.000 7.797) 7.833 11.948 ( -1.192 -0.000 1.803) 2.161 12.239 ( -1.155 -0.000 -3.168) 3.371 12.440 ( 5.900 0.000 5.347) 7.963 12.764 ( 7.061 0.000 5.647) 9.041 12.779 ( -1.736 -0.000 0.395) 1.780 13.351 ( 5.764 0.000 -11.237) 12.629 13.372 ( -10.908 -0.000 -1.707) 11.041 13.623 ( -1.897 -0.000 0.644) 2.003 13.787 ( 7.022 0.000 0.690) 7.056 13.969 ( 4.232 0.000 -1.799) 4.599 14.402 ( -12.582 -0.000 -5.314) 13.658 14.420 ( -6.516 -0.000 2.470) 6.968 14.914 ( -25.205 -0.000 10.531) 27.317 14.998 ( -7.957 -0.000 -1.738) 8.145 16.880 ( 47.099 0.000 -18.025) 50.430 17.445 ( 14.537 0.000 -2.843) 14.812 17.778 ( -1.346 -0.000 6.597) 6.733 18.399 ( 3.863 0.000 -4.204) 5.709 21.067 ( -3.388 -0.000 -1.182) 3.589 21.275 ( 3.862 0.000 -4.744) 6.117 21.735 ( -2.571 -0.000 3.220) 4.121 21.854 ( -0.863 -0.000 12.346) 12.376 22.062 ( 4.667 0.000 2.800) 5.442 22.274 ( -25.006 -0.000 17.990) 30.805 22.969 ( -6.043 -0.000 -9.916) 11.612 22.976 ( 3.074 0.000 0.775) 3.170 23.061 ( -2.488 -0.000 -0.282) 2.504 23.508 ( -3.779 -0.000 -6.501) 7.520 23.798 ( 2.278 0.000 7.296) 7.643 23.956 ( 2.338 0.000 5.172) 5.676 23.969 ( -2.114 -0.000 -4.117) 4.628 24.167 ( 0.281 0.000 -6.535) 6.541 24.405 ( -5.500 -0.000 -3.811) 6.692 24.892 ( 31.384 0.000 -9.055) 32.664 ======================= Grid point 96 (36/140) ======================= q-point: ( 0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( 16.839 -6.083 14.951) 23.325 1.239 ( 13.529 -13.780 15.684) 24.878 1.611 ( -0.049 -13.110 -6.166) 14.488 1.908 ( -3.572 -2.662 12.191) 12.979 2.011 ( -1.559 -9.401 5.690) 11.098 2.169 ( 6.913 -9.225 10.546) 15.624 2.308 ( -5.007 -2.291 -0.449) 5.524 2.480 ( 2.804 -7.493 -0.438) 8.013 2.615 ( -3.859 -5.067 3.596) 7.315 2.744 ( 13.077 -5.406 -3.851) 14.665 2.843 ( 0.146 -0.120 2.619) 2.626 2.888 ( -2.041 -4.633 -2.870) 5.819 3.128 ( -5.570 1.155 -5.846) 8.157 3.209 ( 3.068 0.083 -3.855) 4.928 3.323 ( 1.122 0.900 2.538) 2.917 3.562 ( -4.250 3.422 0.149) 5.459 3.641 ( -3.579 7.977 -4.277) 9.733 3.751 ( -8.355 2.892 -3.626) 9.556 3.843 ( -5.551 0.245 -1.888) 5.869 3.976 ( 1.609 -2.881 11.293) 11.765 4.042 ( 1.694 1.448 2.855) 3.622 4.226 ( 7.304 -3.770 -11.059) 13.779 4.462 ( -1.978 -3.611 3.636) 5.493 4.497 ( -6.965 -3.368 -4.973) 9.197 4.882 ( 8.243 1.585 -0.715) 8.424 4.942 ( 5.782 -0.941 7.987) 9.905 5.019 ( 1.741 4.285 -5.104) 6.888 5.135 ( -3.464 0.305 -1.376) 3.740 5.376 ( -8.139 1.284 0.595) 8.261 5.457 ( -4.950 2.842 -0.944) 5.785 5.582 ( -4.367 1.878 -4.727) 6.704 5.644 ( -2.321 8.151 5.259) 9.974 5.806 ( 1.902 -3.011 -0.776) 3.645 5.912 ( 6.503 -0.963 -0.181) 6.577 6.069 ( 7.267 3.256 1.138) 8.044 6.098 ( 0.872 4.338 4.276) 6.153 6.331 ( 1.034 4.429 -2.816) 5.349 6.610 ( -6.939 -7.905 -6.150) 12.184 6.784 ( -4.192 -2.891 -2.731) 5.778 7.111 ( 10.950 10.794 -1.165) 15.420 7.573 ( -0.752 2.265 -2.122) 3.194 7.757 ( 0.301 -0.344 -0.427) 0.625 7.887 ( 0.529 -4.953 -4.865) 6.963 8.062 ( 2.147 2.704 -3.096) 4.638 8.141 ( 1.032 -0.634 -1.106) 1.641 8.166 ( 1.564 0.125 -0.301) 1.597 8.400 ( -4.665 -2.995 0.127) 5.545 8.461 ( 1.877 -1.102 4.972) 5.428 8.907 ( -20.789 4.518 6.005) 22.106 9.249 ( -9.651 -3.233 3.158) 10.657 9.454 ( 1.339 -0.101 8.709) 8.812 9.731 ( 0.260 2.621 -0.076) 2.635 9.876 ( 7.683 2.834 4.988) 9.589 10.220 ( -0.157 -9.691 -8.806) 13.095 10.609 ( 7.467 -2.307 3.512) 8.569 10.794 ( -0.686 -1.971 1.205) 2.410 11.001 ( -5.636 -0.239 -1.857) 5.939 11.086 ( -4.720 -4.457 -7.202) 9.696 11.183 ( -1.784 0.961 -1.710) 2.651 11.242 ( 1.026 -1.917 -2.199) 3.092 11.504 ( -3.578 -2.442 6.813) 8.073 11.873 ( -0.732 -0.718 8.836) 8.895 11.943 ( -0.822 0.311 2.137) 2.311 12.203 ( -3.590 0.259 -3.475) 5.003 12.469 ( 5.939 5.583 4.654) 9.387 12.728 ( 0.280 4.335 1.130) 4.489 12.840 ( 6.947 1.500 4.523) 8.424 13.180 ( -3.689 5.359 -5.229) 8.347 13.456 ( 0.578 -3.475 -3.179) 4.745 13.547 ( -5.566 2.385 1.592) 6.261 13.852 ( 6.015 1.906 1.306) 6.443 13.992 ( 2.413 0.051 -1.396) 2.788 14.098 ( -12.746 13.167 -4.961) 18.985 14.345 ( -2.805 1.958 2.011) 3.968 14.752 ( -13.776 -3.589 4.387) 14.897 15.184 ( -17.101 -17.974 -0.729) 24.820 16.996 ( 33.134 11.929 -11.474) 37.038 17.548 ( 12.593 0.534 -0.162) 12.605 17.904 ( 2.436 -8.835 -1.676) 9.317 18.423 ( 4.092 -1.440 -3.947) 5.865 21.016 ( -3.457 2.250 0.782) 4.198 21.307 ( 4.360 -2.275 -4.300) 6.532 21.688 ( -2.832 3.990 3.400) 5.958 21.791 ( -2.236 7.378 6.919) 10.359 22.120 ( 7.437 0.244 15.873) 17.530 22.270 ( -12.431 -2.417 3.419) 13.117 22.950 ( -1.728 -1.059 -1.173) 2.342 22.983 ( -3.965 -7.075 -7.996) 11.389 23.174 ( -1.412 -10.856 1.904) 11.112 23.463 ( -5.868 -2.943 -6.191) 9.023 23.868 ( 1.738 -2.284 6.143) 6.780 23.922 ( -2.161 1.043 -3.891) 4.571 24.001 ( 3.260 0.065 3.715) 4.943 24.127 ( -0.565 0.681 -5.773) 5.841 24.337 ( -4.232 0.899 -4.365) 6.146 24.923 ( 21.296 13.472 -3.469) 25.437 ======================= Grid point 97 (37/140) ======================= q-point: ( 0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.314 ( 16.129 -8.026 11.902) 21.592 1.622 ( 8.445 -13.006 10.582) 18.774 1.733 ( -2.287 -9.131 -8.147) 12.449 2.075 ( -1.982 -11.127 4.669) 12.229 2.190 ( -3.379 -10.823 9.200) 14.601 2.302 ( -0.240 -3.476 3.613) 5.019 2.443 ( -2.155 -11.970 1.385) 12.241 2.622 ( -4.493 -8.886 0.428) 9.966 2.691 ( -2.679 -6.624 -2.712) 7.642 2.830 ( 1.593 1.895 -5.765) 6.274 2.916 ( 2.752 -2.513 -2.348) 4.405 3.008 ( 0.242 0.721 0.588) 0.962 3.075 ( 5.898 -6.678 6.957) 11.304 3.221 ( 2.062 -3.074 -6.181) 7.205 3.329 ( -0.074 -4.083 -2.818) 4.961 3.419 ( -6.290 8.099 -2.078) 10.463 3.567 ( 0.669 -1.007 3.568) 3.767 3.664 ( 1.735 1.355 -0.159) 2.207 3.821 ( -6.328 -3.861 -0.032) 7.413 4.033 ( 5.183 2.361 6.918) 8.961 4.096 ( 0.483 -2.371 1.629) 2.917 4.247 ( 5.432 0.247 -5.948) 8.059 4.455 ( -8.725 -3.236 -7.151) 11.736 4.528 ( -0.688 -0.372 2.276) 2.407 4.889 ( 2.983 1.755 -1.528) 3.783 4.919 ( 0.064 3.917 -2.170) 4.478 5.074 ( 3.090 -2.989 7.752) 8.864 5.080 ( -0.974 1.931 -3.635) 4.230 5.297 ( -6.598 1.579 2.272) 7.155 5.394 ( 0.380 2.940 -0.513) 3.008 5.477 ( -1.766 3.963 -5.444) 6.961 5.544 ( -3.219 2.361 5.093) 6.471 5.838 ( 2.336 0.283 -0.687) 2.451 5.941 ( -0.642 8.447 -2.670) 8.882 5.985 ( 5.265 0.243 1.496) 5.479 6.120 ( 2.208 -1.830 0.033) 2.868 6.298 ( 2.562 2.123 -2.873) 4.396 6.628 ( -5.937 -2.968 -4.037) 7.769 6.778 ( -3.504 -1.070 -0.334) 3.679 7.009 ( 8.164 9.282 1.958) 12.516 7.532 ( -1.851 0.849 -0.354) 2.068 7.766 ( 1.606 0.427 0.072) 1.663 7.915 ( 0.945 0.623 -1.274) 1.704 8.000 ( 1.811 5.484 -2.110) 6.149 8.095 ( 0.710 2.697 -3.425) 4.417 8.240 ( -1.153 -6.435 1.335) 6.672 8.397 ( -4.966 -0.325 0.082) 4.977 8.505 ( -0.987 0.983 4.012) 4.247 8.759 ( -14.204 -2.198 2.188) 14.539 9.248 ( -5.772 -2.064 2.360) 6.569 9.531 ( 2.172 -2.730 5.523) 6.533 9.685 ( -2.123 1.824 1.539) 3.195 9.887 ( 10.656 6.844 4.961) 13.602 10.328 ( 2.371 -8.080 -11.545) 14.290 10.719 ( 3.169 -3.594 3.005) 5.656 10.829 ( -0.197 -1.896 0.593) 1.996 10.969 ( -1.610 -1.296 -7.667) 7.940 11.113 ( -3.528 -3.807 -1.022) 5.290 11.154 ( -3.831 -5.314 -6.167) 8.997 11.305 ( 6.772 -1.209 0.131) 6.881 11.554 ( -3.810 -2.742 5.912) 7.549 11.860 ( -2.963 3.724 4.484) 6.539 11.987 ( -2.743 -2.987 8.998) 9.870 12.152 ( -5.211 -0.376 -2.265) 5.695 12.389 ( 6.248 9.884 -0.388) 11.700 12.656 ( -0.122 5.081 1.444) 5.283 12.830 ( 2.345 5.739 2.519) 6.692 13.107 ( 2.740 0.959 -4.646) 5.479 13.393 ( -1.297 7.388 10.882) 13.217 13.567 ( -3.794 -0.753 -4.223) 5.727 13.667 ( -5.944 9.621 -1.132) 11.366 13.906 ( 0.068 0.858 -2.849) 2.976 14.113 ( 6.244 -6.650 -4.722) 10.272 14.340 ( -1.928 -1.737 0.802) 2.716 14.744 ( -13.404 -4.952 1.900) 14.415 15.322 ( -13.986 -13.389 0.048) 19.362 16.949 ( 21.266 13.164 -3.498) 25.254 17.606 ( 9.809 2.706 -0.052) 10.176 18.019 ( 0.873 -4.822 -3.151) 5.825 18.466 ( 3.849 -2.044 -3.620) 5.665 20.959 ( -3.289 2.502 2.845) 5.017 21.358 ( 4.344 -1.713 -4.534) 6.508 21.612 ( -2.948 3.504 2.411) 5.175 21.728 ( 1.052 2.914 3.980) 5.044 22.200 ( -5.218 1.410 3.688) 6.543 22.239 ( 6.457 2.656 10.968) 13.002 22.931 ( -3.653 -0.527 -0.898) 3.799 23.067 ( -5.814 -10.330 -8.191) 14.408 23.356 ( -1.989 -10.937 0.427) 11.125 23.474 ( -5.179 -6.343 -3.141) 8.770 23.869 ( -1.127 1.573 -2.891) 3.479 23.937 ( -0.048 -1.554 3.693) 4.007 24.035 ( 2.322 0.041 2.243) 3.229 24.098 ( 1.129 -0.060 -3.881) 4.043 24.281 ( -2.206 0.434 -3.295) 3.989 24.799 ( 14.768 16.026 0.923) 21.812 ======================= Grid point 98 (38/140) ======================= q-point: ( 0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.558 ( 8.529 -1.979 10.877) 13.964 1.814 ( 1.765 -7.259 1.171) 7.562 1.940 ( 3.006 -11.348 -0.045) 11.739 2.184 ( -5.007 -4.880 -0.140) 6.993 2.353 ( 3.245 -2.855 8.762) 9.770 2.384 ( -2.228 -7.103 -5.607) 9.319 2.602 ( -1.774 -4.238 4.706) 6.576 2.682 ( -6.357 -2.395 1.032) 6.871 2.760 ( 0.377 1.392 -7.947) 8.077 2.823 ( -2.099 -12.099 -1.838) 12.417 2.890 ( -0.623 5.592 -1.996) 5.970 2.971 ( 0.051 -4.979 -1.658) 5.248 3.150 ( -8.004 2.667 -4.625) 9.621 3.225 ( 2.149 -0.995 7.096) 7.480 3.359 ( 1.683 -1.936 -3.631) 4.446 3.461 ( 1.582 -3.587 -3.083) 4.987 3.637 ( 0.739 -8.371 6.654) 10.719 3.747 ( 1.648 -4.657 -1.454) 5.149 3.913 ( 7.675 -7.055 2.880) 10.815 4.055 ( 2.817 2.615 2.720) 4.709 4.117 ( 4.788 0.008 -3.858) 6.149 4.274 ( 2.615 1.574 7.443) 8.045 4.401 ( -6.991 -1.860 -6.211) 9.535 4.489 ( 0.305 3.628 0.215) 3.647 4.837 ( -4.352 1.977 0.013) 4.780 4.884 ( -1.423 0.959 -1.315) 2.162 5.003 ( -2.144 -1.701 -8.086) 8.536 5.186 ( 1.838 -1.088 4.282) 4.785 5.260 ( -0.993 2.149 2.712) 3.600 5.319 ( -0.520 4.878 1.872) 5.251 5.420 ( -3.308 -2.237 0.468) 4.021 5.563 ( 1.360 -0.855 2.337) 2.836 5.807 ( 1.374 2.446 -3.647) 4.601 5.848 ( 2.148 3.595 -1.101) 4.330 5.970 ( 2.546 4.284 3.009) 5.821 6.186 ( -0.567 -4.861 -0.789) 4.957 6.242 ( -0.604 3.224 -4.375) 5.468 6.596 ( -2.298 0.752 -1.848) 3.043 6.778 ( -2.270 -1.482 0.759) 2.816 6.954 ( 8.457 5.857 2.089) 10.497 7.518 ( -2.741 -2.001 -0.729) 3.472 7.757 ( 1.604 2.519 1.117) 3.188 7.866 ( 3.000 8.140 -0.963) 8.729 7.908 ( -1.954 2.309 2.073) 3.667 8.061 ( 1.465 0.139 -4.775) 4.997 8.326 ( -3.888 1.169 1.900) 4.482 8.359 ( -2.655 -4.493 -2.383) 5.737 8.428 ( -7.721 3.054 3.907) 9.177 8.797 ( -3.224 -5.978 3.170) 7.495 9.236 ( -4.229 -1.006 -1.941) 4.761 9.613 ( 1.653 -2.308 3.457) 4.473 9.650 ( -4.296 1.512 2.684) 5.286 9.867 ( 11.624 7.678 3.834) 14.449 10.432 ( 6.009 -6.713 -8.578) 12.440 10.760 ( -4.973 -1.846 -2.089) 5.701 10.905 ( 4.064 -4.183 2.688) 6.422 10.942 ( 2.615 -0.468 -9.716) 10.073 11.118 ( -1.716 -1.436 -1.864) 2.913 11.257 ( -3.969 -8.990 -0.652) 9.849 11.371 ( 9.274 -0.528 -3.184) 9.820 11.561 ( -7.026 1.629 6.235) 9.534 11.810 ( -1.029 0.582 2.714) 2.960 12.022 ( -6.015 0.236 7.618) 9.710 12.133 ( -8.671 -2.888 0.791) 9.174 12.277 ( 9.096 7.457 -2.223) 11.970 12.573 ( -0.428 5.136 2.092) 5.562 12.757 ( -1.314 4.103 2.788) 5.132 13.056 ( -2.020 5.287 -4.634) 7.315 13.330 ( 7.417 7.604 0.835) 10.655 13.410 ( -4.470 2.148 3.668) 6.169 13.669 ( 3.547 -1.057 -1.181) 3.885 13.891 ( -0.739 -0.883 -2.108) 2.402 14.250 ( 3.108 -6.541 -3.799) 8.178 14.358 ( -3.616 -2.185 1.271) 4.412 14.736 ( -8.483 -3.903 0.965) 9.388 15.428 ( -11.488 -10.685 1.087) 15.726 16.863 ( 13.658 11.801 0.468) 18.056 17.606 ( 6.682 3.940 -2.001) 8.011 18.070 ( -1.328 -3.166 -0.732) 3.511 18.508 ( 3.237 -1.543 -3.385) 4.931 20.910 ( -3.067 2.275 3.492) 5.174 21.373 ( 3.497 0.959 -4.695) 5.932 21.563 ( -2.750 0.806 1.529) 3.248 21.729 ( 1.677 0.324 1.750) 2.445 22.172 ( -0.502 -0.466 0.140) 0.699 22.247 ( 4.947 7.934 9.996) 13.688 22.916 ( -5.627 -3.026 -2.069) 6.716 23.148 ( -5.287 -8.551 -7.034) 12.270 23.506 ( -0.794 -8.540 -0.241) 8.581 23.556 ( -2.985 -7.240 -0.112) 7.832 23.829 ( -0.628 1.374 -1.202) 1.930 23.943 ( -1.787 0.661 0.849) 2.085 24.065 ( 1.866 -0.087 1.781) 2.581 24.100 ( 2.052 0.043 -2.054) 2.904 24.260 ( -0.678 -0.551 -1.467) 1.707 24.640 ( 9.147 14.185 2.083) 17.006 ======================= Grid point 99 (39/140) ======================= q-point: (-0.44 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -3.529 6.656 10.252) 12.722 1.903 ( 2.094 1.938 -0.400) 2.881 2.067 ( 1.126 -1.862 0.116) 2.179 2.204 ( -3.396 -4.171 0.751) 5.431 2.410 ( -0.532 -1.342 -5.808) 5.985 2.469 ( 4.189 -1.547 2.927) 5.340 2.580 ( -4.023 2.005 -5.254) 6.914 2.661 ( -0.386 0.586 -0.976) 1.202 2.723 ( 3.463 2.415 1.450) 4.464 2.837 ( 0.825 -1.524 -2.105) 2.727 2.958 ( -1.740 -4.572 2.205) 5.366 3.055 ( -6.599 -1.481 -3.955) 7.835 3.098 ( -1.620 -7.349 1.476) 7.669 3.304 ( -2.837 -2.940 1.806) 4.467 3.339 ( 6.060 1.220 -4.210) 7.479 3.498 ( 1.973 -1.373 -0.950) 2.585 3.774 ( -6.770 -3.521 4.177) 8.699 3.830 ( 3.634 -4.201 4.461) 7.124 3.982 ( 0.466 7.508 3.939) 8.492 4.096 ( 3.468 -6.465 -5.340) 9.075 4.122 ( 7.655 4.625 -2.547) 9.299 4.264 ( 0.336 3.359 3.450) 4.827 4.397 ( -0.267 -2.856 -1.792) 3.382 4.484 ( 1.955 -1.311 2.959) 3.781 4.760 ( -2.937 2.426 -3.503) 5.175 4.860 ( -4.350 -1.296 2.672) 5.267 5.036 ( -1.180 -6.380 -9.664) 11.640 5.166 ( -0.667 1.116 -1.240) 1.797 5.240 ( 1.954 5.062 3.664) 6.547 5.279 ( 0.154 -0.795 5.934) 5.989 5.473 ( -4.370 -2.907 4.418) 6.860 5.574 ( -1.418 -0.696 1.750) 2.358 5.742 ( 1.400 8.181 -1.158) 8.380 5.813 ( 4.651 -1.170 -4.489) 6.569 5.986 ( 3.314 -1.212 3.141) 4.724 6.159 ( -4.675 1.563 -2.450) 5.505 6.246 ( -1.572 -3.592 -0.703) 3.984 6.559 ( 0.611 2.476 -0.888) 2.701 6.791 ( -1.873 -2.247 -2.213) 3.668 6.967 ( 8.101 1.839 3.286) 8.933 7.558 ( -1.601 -4.898 -0.721) 5.203 7.724 ( 0.851 3.152 1.440) 3.568 7.763 ( 2.799 4.029 -0.920) 4.991 7.869 ( -1.486 2.308 1.263) 3.021 8.066 ( 0.108 -2.207 -4.605) 5.107 8.226 ( -6.893 2.635 1.841) 7.605 8.355 ( -4.313 0.485 1.790) 4.695 8.453 ( 0.274 -4.000 0.522) 4.043 8.870 ( 0.082 -0.932 4.796) 4.887 9.229 ( -3.833 -4.322 -3.734) 6.879 9.571 ( -3.293 5.792 2.896) 7.265 9.656 ( -0.780 -0.748 1.549) 1.889 9.850 ( 9.832 6.108 2.135) 11.771 10.548 ( 2.731 -4.311 -2.270) 5.585 10.731 ( -0.219 -1.271 -6.751) 6.873 10.912 ( 1.916 0.080 -7.714) 7.949 11.027 ( 4.716 -2.528 -0.260) 5.357 11.117 ( -1.614 -1.039 0.012) 1.919 11.318 ( -4.449 -0.744 4.497) 6.369 11.411 ( 4.533 2.379 -8.025) 9.519 11.531 ( 0.518 -3.511 4.567) 5.784 11.839 ( -2.458 -2.322 2.303) 4.091 11.995 ( -3.850 1.113 5.625) 6.906 12.072 ( -0.095 3.007 -6.184) 6.877 12.289 ( -3.836 -2.875 7.475) 8.880 12.522 ( 1.404 2.699 3.240) 4.444 12.707 ( -2.208 1.527 2.263) 3.511 12.887 ( -5.610 6.721 -3.455) 9.412 13.297 ( 2.597 -0.812 -7.244) 7.738 13.432 ( 12.548 4.079 4.328) 13.886 13.697 ( 2.156 -0.293 2.107) 3.029 13.907 ( 1.903 -1.312 -1.914) 3.001 14.302 ( -6.976 -3.387 -1.850) 7.972 14.368 ( -3.934 -1.040 0.627) 4.118 14.783 ( 1.629 -4.482 1.157) 4.907 15.514 ( -9.675 -8.370 1.314) 12.860 16.774 ( 6.888 8.943 2.559) 11.575 17.567 ( 3.505 3.561 -3.637) 6.180 18.113 ( -2.059 -3.749 0.638) 4.325 18.529 ( 2.529 -0.200 -3.367) 4.216 20.870 ( -2.840 1.583 3.461) 4.749 21.347 ( 2.561 1.608 -4.586) 5.493 21.547 ( -2.169 0.109 1.559) 2.673 21.751 ( 1.282 -0.645 1.007) 1.753 22.123 ( 0.631 8.278 0.331) 8.308 22.251 ( 4.259 -2.503 4.907) 6.963 22.926 ( -3.591 -3.016 -1.443) 4.906 23.203 ( -3.955 -5.826 -5.554) 8.968 23.632 ( 0.196 -6.078 0.982) 6.160 23.644 ( -0.735 -4.711 0.400) 4.784 23.797 ( -0.730 1.548 -0.437) 1.766 23.918 ( -2.251 0.321 -0.206) 2.283 24.035 ( 2.101 5.935 0.105) 6.296 24.123 ( -0.095 -2.229 -0.269) 2.248 24.274 ( 0.240 -1.612 -0.102) 1.633 24.500 ( 4.081 9.302 1.646) 10.291 ======================= Grid point 100 (40/140) ======================= q-point: (-0.33 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( -10.946 11.948 10.587) 19.356 1.744 ( -1.240 15.779 2.335) 15.999 2.062 ( 2.817 5.664 3.930) 7.447 2.283 ( -1.603 -4.077 -3.821) 5.813 2.333 ( 2.131 7.202 -2.103) 7.799 2.405 ( -1.004 5.631 -5.335) 7.822 2.574 ( 2.021 -1.065 -0.961) 2.478 2.674 ( 1.397 -1.622 0.644) 2.236 2.695 ( 6.177 4.981 -1.158) 8.019 2.902 ( -0.169 -5.289 -3.647) 6.426 2.999 ( -5.992 0.382 -0.350) 6.015 3.042 ( -0.706 -3.193 6.196) 7.006 3.177 ( 1.339 1.299 2.607) 3.206 3.216 ( -2.131 2.123 -6.005) 6.716 3.402 ( 0.449 2.005 1.740) 2.692 3.538 ( 0.978 -1.544 -4.621) 4.969 3.744 ( 2.733 7.078 3.568) 8.384 3.818 ( -7.037 -0.234 7.778) 10.491 3.970 ( 2.121 -0.278 2.464) 3.263 4.081 ( 2.277 0.831 -5.790) 6.277 4.179 ( 3.115 -3.151 -3.267) 5.505 4.235 ( 3.158 2.282 2.273) 4.510 4.369 ( -4.256 3.989 -3.587) 6.848 4.548 ( 0.283 -2.852 2.588) 3.862 4.712 ( -0.025 0.858 -1.444) 1.680 4.886 ( 2.303 -2.126 -0.008) 3.134 5.054 ( -2.588 -1.662 -3.824) 4.908 5.192 ( 3.633 0.999 0.861) 3.865 5.209 ( -1.270 -2.895 3.611) 4.799 5.318 ( 0.644 0.474 2.868) 2.977 5.452 ( -7.918 2.732 3.464) 9.064 5.595 ( 1.477 -0.629 -0.046) 1.606 5.678 ( -2.533 -3.019 2.321) 4.573 5.849 ( 6.292 -1.112 -6.237) 8.929 6.027 ( -1.625 -0.983 -8.022) 8.243 6.129 ( -0.457 -0.848 10.008) 10.054 6.288 ( -2.178 -3.774 -0.568) 4.395 6.497 ( -0.596 4.839 -0.313) 4.886 6.810 ( 1.821 -2.401 -6.153) 6.852 7.024 ( 3.365 -0.951 2.229) 4.146 7.632 ( -0.699 -5.454 -0.585) 5.529 7.693 ( 1.408 0.846 -1.348) 2.125 7.788 ( 1.320 -2.879 1.998) 3.745 7.837 ( 0.936 0.264 -0.177) 0.989 8.073 ( -5.943 -3.374 -0.856) 6.887 8.212 ( 1.731 -2.011 1.578) 3.087 8.333 ( -2.527 -0.156 0.392) 2.562 8.506 ( 1.036 -1.494 1.065) 2.107 8.873 ( 0.256 3.184 5.814) 6.634 9.290 ( -3.783 -7.570 -1.608) 8.614 9.451 ( -0.781 6.818 0.475) 6.879 9.651 ( -1.031 1.660 2.493) 3.168 9.812 ( 4.160 5.987 0.494) 7.307 10.533 ( -5.413 2.260 0.074) 5.866 10.776 ( 7.788 -2.472 -10.954) 13.666 10.895 ( 4.032 1.471 -2.260) 4.851 10.995 ( -1.432 4.449 0.140) 4.676 11.184 ( 0.606 -5.993 -1.604) 6.234 11.286 ( -3.498 1.304 1.587) 4.057 11.358 ( 3.682 3.994 -2.944) 6.179 11.629 ( 2.854 -1.918 -0.743) 3.518 11.871 ( -1.972 -3.463 4.616) 6.098 11.984 ( -0.307 1.511 2.205) 2.690 12.020 ( 1.623 0.026 -4.552) 4.832 12.354 ( -8.747 -5.649 9.561) 14.136 12.509 ( 1.991 3.350 4.263) 5.776 12.702 ( -3.045 0.203 1.678) 3.482 12.768 ( -1.587 -1.101 -3.243) 3.774 13.311 ( 0.434 -2.978 -5.585) 6.344 13.468 ( 11.866 3.854 -0.544) 12.489 13.759 ( 6.400 -1.506 3.622) 7.507 13.932 ( 4.663 0.576 -1.698) 4.996 14.276 ( -10.556 -2.421 0.744) 10.855 14.317 ( -6.060 2.175 -1.721) 6.665 14.898 ( 7.367 -3.255 1.665) 8.224 15.569 ( -7.213 -5.421 -0.010) 9.024 16.700 ( -0.545 4.506 4.089) 6.109 17.513 ( 0.694 2.489 -3.920) 4.695 18.171 ( -1.669 -4.705 -0.770) 5.051 18.520 ( 2.071 1.328 -3.562) 4.329 20.853 ( -2.493 -0.018 4.074) 4.777 21.325 ( 2.208 0.546 -4.931) 5.430 21.539 ( -1.189 0.542 3.223) 3.478 21.769 ( 0.352 -0.006 -0.055) 0.357 21.977 ( -1.047 8.337 1.024) 8.465 22.392 ( 5.133 -7.618 1.588) 9.322 22.940 ( -1.530 -1.430 -0.792) 2.239 23.238 ( 0.318 -2.832 -2.334) 3.684 23.671 ( 1.323 2.052 0.197) 2.450 23.724 ( -0.108 -2.853 0.550) 2.907 23.756 ( -1.676 1.914 0.177) 2.550 23.888 ( 0.475 3.258 -0.920) 3.419 23.950 ( -2.915 1.031 0.100) 3.094 24.152 ( -0.804 -1.317 -0.373) 1.587 24.309 ( 1.235 -1.323 0.048) 1.811 24.409 ( -0.489 3.788 0.906) 3.925 ======================= Grid point 101 (41/140) ======================= q-point: (-0.22 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( -13.613 14.279 14.769) 24.644 1.445 ( 0.504 21.566 8.794) 23.296 1.893 ( -0.481 19.247 5.397) 19.995 2.124 ( 2.536 12.846 -4.435) 13.824 2.249 ( -1.903 3.857 -7.116) 8.315 2.394 ( 3.969 0.613 5.732) 6.998 2.566 ( 2.343 3.410 -3.298) 5.291 2.664 ( 6.103 2.752 -3.272) 7.452 2.749 ( 2.846 -3.930 1.275) 5.017 2.877 ( -2.552 5.966 2.547) 6.971 2.930 ( -2.694 6.710 -1.211) 7.331 3.015 ( -1.577 8.499 2.274) 8.938 3.130 ( 1.287 2.240 0.137) 2.587 3.196 ( -3.147 -0.876 1.139) 3.460 3.333 ( 0.087 5.636 -2.115) 6.020 3.477 ( 0.883 -2.459 -0.002) 2.613 3.810 ( 2.738 -4.657 -1.174) 5.529 3.816 ( -5.491 -1.422 3.288) 6.556 3.964 ( 1.582 3.423 3.318) 5.022 4.071 ( -6.851 -3.001 -7.136) 10.338 4.208 ( 2.948 -1.184 -9.606) 10.118 4.211 ( -1.604 6.589 -3.589) 7.673 4.277 ( 7.331 0.858 8.022) 10.901 4.619 ( -1.527 -4.941 2.741) 5.853 4.682 ( 0.069 2.100 0.152) 2.107 4.953 ( 8.087 -0.274 -4.830) 9.423 5.058 ( -2.194 -4.018 1.746) 4.900 5.179 ( -1.178 1.605 4.681) 5.087 5.274 ( -7.579 4.419 0.400) 8.782 5.322 ( 1.865 -1.323 0.749) 2.407 5.378 ( -2.596 -6.082 4.566) 8.036 5.642 ( 2.015 -3.568 -1.294) 4.297 5.739 ( -1.628 -2.713 1.091) 3.346 5.884 ( 3.009 -2.012 -6.496) 7.436 5.946 ( -1.457 2.758 -5.363) 6.204 6.211 ( 2.652 2.407 3.807) 5.227 6.335 ( -3.956 -4.131 0.300) 5.727 6.430 ( -0.655 -1.321 4.173) 4.426 6.837 ( 5.338 -1.738 -8.403) 10.106 7.042 ( -1.170 0.589 -1.024) 1.662 7.683 ( -1.387 -0.508 -0.866) 1.712 7.738 ( 0.917 -6.541 -2.516) 7.068 7.845 ( 0.456 -3.837 2.207) 4.450 7.899 ( 1.232 -4.931 -2.447) 5.641 8.094 ( -3.917 -2.392 2.482) 5.218 8.265 ( 1.350 0.076 -1.214) 1.817 8.329 ( 1.787 -0.334 1.197) 2.177 8.538 ( -0.146 -1.276 0.918) 1.579 8.858 ( 1.635 2.850 11.314) 11.782 9.347 ( -5.697 -0.261 2.254) 6.132 9.419 ( 3.431 -6.088 -3.046) 7.624 9.582 ( -0.327 8.011 1.895) 8.239 9.738 ( -3.011 2.204 0.876) 3.833 10.464 ( -0.341 3.038 1.704) 3.500 10.751 ( 2.510 2.439 -13.759) 14.197 10.842 ( -0.851 4.554 -1.148) 4.773 10.986 ( 4.387 1.476 4.894) 6.736 11.242 ( 1.252 0.979 -4.477) 4.750 11.292 ( -4.175 -7.349 0.491) 8.466 11.297 ( 5.839 4.770 -4.520) 8.790 11.623 ( 1.255 2.280 -1.176) 2.855 11.938 ( -4.614 -1.258 6.420) 8.005 11.990 ( 4.677 0.464 -1.475) 4.926 12.053 ( 0.502 -6.258 0.192) 6.281 12.415 ( -8.403 -4.130 4.509) 10.392 12.494 ( 2.891 2.811 6.971) 8.053 12.644 ( -1.992 1.674 0.267) 2.615 12.896 ( 0.657 -11.467 3.013) 11.874 13.345 ( -0.274 -3.931 -6.288) 7.421 13.488 ( 6.725 1.969 1.586) 7.185 13.844 ( 6.735 -0.046 -0.113) 6.736 13.949 ( 7.817 1.853 0.297) 8.039 14.191 ( -3.907 6.671 -2.441) 8.108 14.252 ( -10.441 -4.476 0.157) 11.361 14.986 ( 6.132 0.780 2.614) 6.712 15.589 ( -1.719 -2.300 -3.514) 4.538 16.653 ( -8.914 -0.186 5.838) 10.657 17.459 ( -0.717 1.747 -3.483) 3.962 18.220 ( -1.728 -3.789 -5.772) 7.117 18.486 ( 2.068 2.354 -3.924) 5.022 20.879 ( -2.182 -2.516 6.085) 6.937 21.313 ( 2.401 0.111 -5.640) 6.131 21.553 ( -0.043 -0.604 5.933) 5.963 21.734 ( -0.993 3.421 -2.859) 4.568 21.871 ( -0.664 4.661 5.253) 7.054 22.570 ( -0.197 -10.545 -3.307) 11.053 22.942 ( -0.560 -0.283 -0.918) 1.112 23.304 ( 7.553 -1.294 3.388) 8.378 23.575 ( 3.817 9.526 -0.166) 10.264 23.713 ( -0.805 1.198 -0.519) 1.534 23.735 ( -2.445 0.437 -1.868) 3.107 23.852 ( 1.156 1.545 3.835) 4.293 23.958 ( -3.639 -3.407 -1.475) 5.199 24.127 ( -1.668 3.720 -1.796) 4.454 24.297 ( 0.331 2.003 -1.868) 2.758 24.405 ( -2.933 -3.491 1.425) 4.777 ======================= Grid point 102 (42/140) ======================= q-point: (-0.11 0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.889 ( -13.303 14.741 19.720) 27.985 1.146 ( 3.901 22.537 15.178) 27.450 1.520 ( 7.504 29.730 13.075) 33.334 1.919 ( 2.286 12.856 2.741) 13.342 2.154 ( -2.469 1.642 -6.727) 7.352 2.383 ( -0.181 7.203 7.196) 10.183 2.431 ( 0.445 12.053 -4.597) 12.908 2.651 ( 9.947 6.908 -7.092) 14.034 2.703 ( -1.329 4.330 3.295) 5.601 2.710 ( -3.150 11.007 3.753) 12.049 2.845 ( -3.159 8.400 0.692) 9.002 2.945 ( 3.010 -7.418 0.525) 8.023 3.101 ( 0.890 1.068 2.731) 3.065 3.219 ( -0.775 -1.761 -1.033) 2.184 3.275 ( -0.187 1.037 -1.145) 1.556 3.597 ( 3.744 -7.203 -2.371) 8.457 3.750 ( -5.583 1.302 -3.559) 6.747 3.879 ( -3.457 -1.176 3.468) 5.035 3.912 ( -7.654 4.235 -6.472) 10.882 3.986 ( 0.606 -2.207 1.708) 2.856 4.136 ( -7.735 0.381 -4.946) 9.189 4.225 ( 7.440 -1.600 -9.494) 12.167 4.362 ( 7.745 1.321 7.075) 10.573 4.632 ( 3.291 5.358 2.413) 6.735 4.730 ( -2.724 -7.424 1.443) 8.038 4.922 ( 2.727 5.619 -3.799) 7.311 5.111 ( -7.555 3.400 -2.394) 8.624 5.139 ( -0.586 -2.407 1.103) 2.712 5.252 ( 0.408 -9.109 8.830) 12.692 5.388 ( 0.314 -4.462 2.401) 5.077 5.535 ( -0.637 -9.182 1.543) 9.333 5.694 ( 3.362 -1.277 -5.075) 6.220 5.768 ( 0.474 -1.918 -0.693) 2.094 5.864 ( -4.896 0.307 -0.323) 4.917 5.932 ( 8.208 -0.238 -5.014) 9.621 6.096 ( -1.464 8.271 0.257) 8.404 6.326 ( -4.335 1.126 1.893) 4.862 6.616 ( 4.573 -11.952 4.766) 13.656 6.861 ( 5.451 -0.165 -8.918) 10.453 6.979 ( -1.938 3.981 -2.934) 5.311 7.662 ( -2.296 0.146 -2.635) 3.498 7.812 ( -1.721 -2.512 -2.147) 3.726 7.923 ( 1.770 -2.719 -3.260) 4.599 7.976 ( 0.538 -5.641 -1.765) 5.935 8.115 ( -1.251 -2.062 1.005) 2.613 8.203 ( 1.226 6.561 -1.001) 6.749 8.365 ( 2.102 -0.057 2.753) 3.464 8.538 ( -2.775 0.773 -0.020) 2.881 8.935 ( 1.671 -1.794 16.875) 17.052 9.352 ( -6.143 -4.745 1.533) 7.912 9.430 ( -1.787 6.389 1.403) 6.780 9.571 ( 4.595 -7.034 0.450) 8.414 9.710 ( -3.322 -0.613 1.689) 3.777 10.446 ( 4.798 2.779 2.657) 6.149 10.603 ( -1.456 7.787 -14.387) 16.424 10.785 ( 0.457 2.122 1.299) 2.530 10.998 ( 4.072 1.938 2.210) 5.022 11.191 ( 0.234 3.197 -0.703) 3.281 11.273 ( 8.127 1.196 -9.508) 12.565 11.372 ( -7.607 -6.230 -2.074) 10.049 11.603 ( 0.393 0.299 1.078) 1.186 11.930 ( -3.280 1.531 2.802) 4.578 11.980 ( -3.904 -0.104 -0.784) 3.984 12.192 ( 2.431 -5.619 1.556) 6.317 12.392 ( -8.017 0.618 4.010) 8.985 12.533 ( 3.294 -1.594 4.869) 6.091 12.662 ( 1.846 -2.358 4.597) 5.487 13.160 ( -0.080 -16.040 6.569) 17.333 13.355 ( -2.087 -2.072 -6.545) 7.175 13.549 ( 6.457 -2.717 4.409) 8.277 13.826 ( -0.714 4.499 -2.795) 5.344 13.982 ( 0.225 1.483 1.297) 1.984 14.052 ( 11.292 7.477 -0.740) 13.563 14.288 ( -6.085 -7.724 -1.597) 9.962 14.973 ( -0.178 5.487 4.347) 7.003 15.592 ( 6.183 0.952 -9.275) 11.188 16.613 ( -15.013 -1.836 7.421) 16.847 17.415 ( 1.441 1.693 -3.774) 4.380 18.173 ( -3.113 3.511 -13.054) 13.872 18.441 ( 2.462 2.577 -4.293) 5.580 20.962 ( -2.423 -5.334 7.516) 9.529 21.303 ( 3.507 0.503 -5.445) 6.496 21.623 ( -0.554 -3.626 6.593) 7.545 21.654 ( -0.794 1.929 1.433) 2.531 21.845 ( 0.814 3.015 8.317) 8.884 22.661 ( -12.142 -8.346 -8.572) 17.046 22.935 ( 0.002 0.126 -1.246) 1.252 23.285 ( -4.010 7.479 -1.760) 8.667 23.553 ( 2.808 2.623 0.791) 3.923 23.670 ( -5.826 2.491 -3.474) 7.226 23.773 ( 18.138 -4.037 8.102) 20.271 23.866 ( 2.324 1.292 2.807) 3.867 23.928 ( 1.586 5.237 -3.168) 6.322 24.021 ( -0.136 1.695 -1.518) 2.279 24.283 ( 0.717 -0.961 -0.499) 1.299 24.447 ( -3.579 -3.415 0.188) 4.950 ======================= Grid point 105 (43/140) ======================= q-point: ( 0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.161 ( 18.833 0.000 6.827) 20.032 1.289 ( 14.224 0.000 15.924) 21.351 1.437 ( 1.222 0.000 -5.742) 5.870 1.818 ( -8.029 -0.000 -4.564) 9.235 1.928 ( -12.633 -0.000 14.250) 19.044 2.206 ( -5.606 -0.000 -10.263) 11.694 2.308 ( 18.128 0.000 18.465) 25.876 2.501 ( 7.247 0.000 0.587) 7.271 2.542 ( -6.917 -0.000 6.801) 9.701 2.728 ( -2.975 -0.000 -5.851) 6.564 2.788 ( 12.059 0.000 -8.002) 14.473 2.925 ( 1.786 0.000 16.774) 16.868 3.061 ( -6.398 -0.000 -6.783) 9.325 3.185 ( -0.091 -0.000 -8.181) 8.181 3.374 ( 3.827 0.000 1.985) 4.311 3.556 ( -4.985 -0.000 -2.385) 5.526 3.662 ( -2.342 -0.000 -3.068) 3.860 3.711 ( -7.390 -0.000 0.131) 7.391 3.813 ( -3.167 -0.000 -3.669) 4.846 3.983 ( -4.600 -0.000 12.109) 12.953 4.133 ( 2.326 0.000 5.956) 6.394 4.160 ( 8.469 0.000 -9.285) 12.568 4.369 ( -5.917 -0.000 -7.910) 9.878 4.452 ( -2.149 -0.000 5.431) 5.840 4.965 ( 7.694 0.000 -1.308) 7.804 5.015 ( 5.799 0.000 2.344) 6.254 5.065 ( 5.113 0.000 -4.448) 6.777 5.080 ( -4.192 -0.000 -2.170) 4.720 5.313 ( -10.132 -0.000 -0.319) 10.137 5.422 ( -4.719 -0.000 -2.353) 5.273 5.547 ( -6.066 -0.000 0.665) 6.102 5.767 ( 4.355 0.000 -1.281) 4.539 5.768 ( -4.510 -0.000 8.119) 9.288 5.957 ( 5.482 0.000 1.665) 5.729 6.146 ( 6.122 0.000 -1.111) 6.222 6.200 ( 6.286 0.000 3.317) 7.108 6.368 ( -8.454 -0.000 -7.885) 11.560 6.437 ( -2.892 -0.000 1.696) 3.352 6.705 ( -2.973 -0.000 -3.369) 4.493 7.277 ( 9.849 0.000 -6.373) 11.731 7.599 ( 1.846 0.000 -1.041) 2.119 7.768 ( 1.942 0.000 -0.139) 1.947 7.799 ( 1.038 0.000 -4.710) 4.823 8.089 ( 0.819 0.000 0.051) 0.820 8.131 ( 0.375 0.000 -3.564) 3.584 8.178 ( 2.608 0.000 -3.392) 4.279 8.339 ( -5.312 -0.000 1.066) 5.418 8.480 ( 0.340 0.000 5.387) 5.398 8.818 ( -23.087 -0.000 5.712) 23.783 9.138 ( -8.695 -0.000 3.168) 9.254 9.503 ( -0.795 -0.000 8.174) 8.213 9.766 ( 0.192 0.000 0.761) 0.784 9.930 ( 1.589 0.000 4.743) 5.002 10.134 ( 5.589 0.000 -4.700) 7.303 10.660 ( 6.437 0.000 3.343) 7.254 10.756 ( -4.927 -0.000 2.033) 5.330 10.945 ( -2.550 -0.000 -4.296) 4.996 10.993 ( -4.111 -0.000 -5.157) 6.595 11.142 ( -4.643 -0.000 -6.144) 7.701 11.267 ( 5.140 0.000 7.150) 8.805 11.496 ( -2.062 -0.000 6.217) 6.550 11.927 ( 4.695 0.000 6.417) 7.951 11.948 ( -0.297 -0.000 1.121) 1.159 12.147 ( -6.369 -0.000 -4.692) 7.911 12.616 ( 8.764 0.000 7.142) 11.305 12.765 ( 0.331 0.000 -0.841) 0.903 12.931 ( 7.587 0.000 4.632) 8.889 13.190 ( -10.174 -0.000 -1.827) 10.337 13.339 ( 6.193 0.000 -9.776) 11.573 13.580 ( -5.675 -0.000 2.840) 6.346 13.894 ( 7.583 0.000 -2.351) 7.939 14.000 ( 3.777 0.000 -4.772) 6.086 14.113 ( -15.545 -0.000 -6.936) 17.022 14.344 ( -6.710 -0.000 4.305) 7.972 14.678 ( -17.961 -0.000 8.815) 20.007 14.830 ( -11.864 -0.000 -1.098) 11.915 17.304 ( 31.515 0.000 -17.779) 36.185 17.660 ( 12.367 0.000 3.083) 12.745 17.847 ( 3.044 0.000 4.842) 5.719 18.425 ( 4.363 0.000 -3.752) 5.755 21.008 ( -3.022 -0.000 -0.706) 3.103 21.303 ( 4.571 0.000 -3.093) 5.519 21.712 ( -3.955 -0.000 3.311) 5.158 21.867 ( -4.797 -0.000 2.594) 5.454 22.200 ( -7.465 -0.000 11.683) 13.865 22.255 ( 8.110 0.000 13.895) 16.089 22.778 ( -5.132 -0.000 -8.847) 10.227 23.045 ( 3.102 0.000 1.963) 3.671 23.055 ( -1.112 -0.000 2.398) 2.643 23.342 ( -8.338 -0.000 -8.686) 12.041 23.896 ( 1.967 0.000 6.432) 6.726 23.900 ( -1.210 -0.000 -3.273) 3.489 24.043 ( 3.524 0.000 2.408) 4.268 24.095 ( -1.660 -0.000 -5.591) 5.833 24.291 ( -3.650 -0.000 -4.328) 5.662 25.148 ( 14.908 0.000 -6.845) 16.404 ======================= Grid point 106 (44/140) ======================= q-point: ( 0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.355 ( 11.738 -9.622 0.637) 15.191 1.535 ( 6.670 -7.553 -3.308) 10.606 1.564 ( 11.301 -8.319 11.843) 18.362 1.834 ( -6.049 -10.782 -4.269) 13.079 1.985 ( -9.587 -10.827 12.328) 19.003 2.167 ( -3.178 -5.363 -9.432) 11.306 2.448 ( 4.848 1.482 9.210) 10.513 2.521 ( -1.749 -1.437 7.001) 7.358 2.582 ( -4.211 -3.660 0.587) 5.610 2.745 ( -1.465 -5.740 -7.934) 9.902 2.886 ( 6.481 -3.413 -2.156) 7.635 2.977 ( -4.982 0.886 -5.313) 7.338 3.073 ( 7.554 -5.339 5.313) 10.667 3.167 ( 2.267 -0.674 4.370) 4.969 3.329 ( 0.496 4.039 -4.694) 6.212 3.551 ( -3.136 8.432 0.558) 9.013 3.614 ( -3.305 -5.084 -2.829) 6.691 3.629 ( 3.392 2.280 5.925) 7.198 3.748 ( -4.874 1.690 -0.391) 5.174 4.039 ( -4.275 -5.316 1.576) 7.001 4.146 ( 5.321 2.040 4.555) 7.295 4.209 ( 3.475 -2.740 -9.641) 10.608 4.336 ( -2.670 -1.381 -1.637) 3.423 4.500 ( -1.471 -3.710 6.365) 7.512 4.928 ( -5.382 3.030 -2.402) 6.627 4.982 ( 3.450 3.559 -5.873) 7.685 5.090 ( 5.899 -1.043 -4.810) 7.682 5.123 ( 3.496 1.767 5.181) 6.496 5.225 ( -9.525 0.087 -0.560) 9.542 5.396 ( -1.060 -0.195 -0.785) 1.333 5.508 ( -1.697 0.618 1.461) 2.323 5.648 ( -3.872 8.931 4.600) 10.766 5.840 ( 2.206 -2.139 0.522) 3.117 6.014 ( 4.727 -0.703 3.105) 5.699 6.097 ( -1.170 11.213 -3.381) 11.770 6.163 ( 3.390 1.744 -0.812) 3.898 6.341 ( 3.564 0.734 -1.975) 4.140 6.462 ( -7.802 -6.807 -0.748) 10.382 6.707 ( -2.815 -2.890 -1.684) 4.372 7.234 ( 8.180 8.180 -3.850) 12.192 7.581 ( 1.562 3.698 2.014) 4.491 7.778 ( 2.950 -0.566 -0.593) 3.062 7.862 ( 1.704 -5.051 -3.312) 6.275 8.064 ( 1.644 2.392 -2.315) 3.712 8.136 ( 1.990 -0.347 -2.697) 3.369 8.167 ( -1.635 0.321 0.084) 1.668 8.331 ( -4.712 -2.878 0.762) 5.573 8.511 ( -1.809 -1.195 3.433) 4.060 8.644 ( -18.481 2.323 3.321) 18.920 9.153 ( -6.157 -4.962 3.017) 8.463 9.522 ( -0.796 -0.876 1.829) 2.179 9.739 ( -0.913 3.487 4.810) 6.011 10.028 ( 4.235 -5.172 3.133) 7.383 10.169 ( 5.404 -1.994 -6.891) 8.981 10.703 ( -2.548 -0.052 2.444) 3.531 10.769 ( -0.289 -3.732 0.987) 3.871 10.931 ( 2.212 -1.182 -4.436) 5.096 10.964 ( -4.604 -3.969 -5.206) 8.003 11.084 ( -4.015 -0.103 -3.921) 5.613 11.356 ( 7.439 -0.562 6.563) 9.936 11.522 ( -3.159 -1.429 6.754) 7.592 11.935 ( 0.758 2.585 1.715) 3.193 11.990 ( 2.016 0.023 6.175) 6.495 12.070 ( -8.368 -0.855 -4.837) 9.704 12.622 ( 8.570 9.684 3.084) 13.294 12.734 ( 0.753 3.492 -0.876) 3.679 12.950 ( 1.632 5.365 1.107) 5.716 13.124 ( 1.398 -0.650 -0.266) 1.565 13.438 ( 3.597 -8.656 -5.895) 11.073 13.500 ( -5.919 4.260 6.168) 9.552 13.813 ( -12.997 13.272 -6.934) 19.828 13.943 ( 5.712 3.062 -2.738) 7.035 14.034 ( 5.279 -4.569 -4.693) 8.412 14.312 ( -4.482 0.112 3.613) 5.758 14.577 ( -13.044 -2.740 3.127) 13.690 14.943 ( -15.139 -17.064 1.077) 22.837 17.322 ( 22.826 12.236 -8.432) 27.237 17.740 ( 9.273 2.707 3.985) 10.450 17.944 ( 2.610 -4.400 0.984) 5.210 18.451 ( 4.132 -1.243 -3.470) 5.538 20.974 ( -2.748 1.190 0.470) 3.032 21.339 ( 4.483 -1.578 -3.334) 5.805 21.668 ( -3.214 3.382 2.822) 5.453 21.800 ( -2.855 3.509 2.089) 4.983 22.186 ( -4.263 1.042 2.768) 5.189 22.398 ( 8.475 -0.398 15.988) 18.100 22.804 ( -5.060 -9.323 -4.432) 11.496 22.931 ( -5.125 5.534 -3.135) 8.168 23.205 ( 1.281 -8.380 2.724) 8.904 23.297 ( -5.848 -6.235 -6.050) 10.473 23.872 ( -0.532 1.036 -1.676) 2.041 23.946 ( 1.252 -0.639 5.164) 5.352 24.048 ( -0.727 0.481 -3.247) 3.362 24.087 ( 2.612 -0.944 -0.829) 2.899 24.252 ( -2.001 -0.080 -2.439) 3.156 25.122 ( 11.160 10.392 -4.391) 15.869 ======================= Grid point 107 (45/140) ======================= q-point: ( 0.44 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.587 ( 3.145 -10.551 -1.731) 11.145 1.730 ( 14.196 -4.873 4.530) 15.678 1.808 ( 2.528 -8.182 7.233) 11.210 1.990 ( -3.071 -13.520 -2.807) 14.146 2.152 ( -4.985 -10.597 -13.882) 18.162 2.317 ( 0.914 -12.408 12.047) 17.318 2.495 ( -5.575 -5.521 2.709) 8.300 2.560 ( -5.439 -6.361 -1.355) 8.478 2.637 ( 0.327 -1.704 5.962) 6.209 2.767 ( -0.935 -2.717 -4.686) 5.497 2.899 ( -4.581 0.042 -3.663) 5.866 2.929 ( 1.245 0.700 -2.347) 2.747 3.130 ( -0.028 0.087 -12.025) 12.026 3.224 ( -2.152 -0.364 5.132) 5.577 3.362 ( -1.776 2.770 4.935) 5.931 3.410 ( 7.366 -2.104 4.171) 8.723 3.608 ( -2.469 -0.707 5.510) 6.079 3.707 ( -0.728 -1.636 -1.885) 2.600 3.799 ( 5.188 -8.436 -0.291) 9.908 4.110 ( 4.849 -4.710 -2.474) 7.199 4.167 ( 5.794 2.310 2.876) 6.869 4.256 ( -1.794 -4.849 -6.780) 8.527 4.325 ( -0.588 0.733 3.069) 3.210 4.559 ( 1.598 0.385 2.925) 3.355 4.817 ( -7.168 1.852 -2.790) 7.911 4.911 ( -1.984 4.505 -0.742) 4.978 5.017 ( -1.247 7.642 -0.753) 7.780 5.176 ( 0.765 -6.124 -3.446) 7.069 5.215 ( -2.569 -2.881 1.280) 4.067 5.352 ( -0.827 3.864 3.019) 4.973 5.493 ( -1.435 7.825 2.428) 8.318 5.574 ( 4.759 -3.032 2.547) 6.191 5.872 ( 0.006 5.366 -3.021) 6.158 5.889 ( 1.110 2.919 -1.989) 3.703 6.075 ( 3.825 1.849 2.912) 5.151 6.145 ( 0.916 0.423 0.788) 1.281 6.282 ( -1.335 4.452 -4.398) 6.399 6.532 ( -3.648 -5.247 0.726) 6.432 6.721 ( -3.008 -2.222 -0.826) 3.830 7.140 ( 7.200 7.906 -0.968) 10.737 7.527 ( -0.399 4.028 2.381) 4.696 7.811 ( 3.522 0.524 0.689) 3.627 7.906 ( -0.456 -0.761 -1.145) 1.449 8.020 ( 3.827 5.769 -1.637) 7.114 8.088 ( 2.078 3.579 -2.551) 4.861 8.220 ( -1.809 -6.952 0.238) 7.187 8.322 ( -5.796 1.082 0.723) 5.941 8.450 ( -10.443 4.178 4.852) 12.250 8.623 ( -5.146 -9.839 0.169) 11.104 9.195 ( -2.860 -2.285 0.124) 3.663 9.546 ( -0.801 -3.442 -5.135) 6.234 9.704 ( -1.966 3.160 9.598) 10.294 10.099 ( 10.594 6.362 4.487) 13.147 10.272 ( 4.148 -11.720 -12.011) 17.286 10.662 ( -9.148 -0.465 0.124) 9.160 10.849 ( 2.020 -4.257 -0.945) 4.806 10.961 ( 7.275 -0.483 -5.379) 9.061 11.034 ( -4.852 -10.346 -1.463) 11.520 11.056 ( -3.382 -1.899 -2.052) 4.388 11.446 ( 8.493 0.459 2.941) 9.000 11.550 ( -4.909 -0.962 8.556) 9.912 11.874 ( -1.511 4.434 1.302) 4.862 12.004 ( -6.008 -0.339 4.008) 7.230 12.026 ( -4.772 -1.302 -0.511) 4.973 12.502 ( 9.466 11.538 -2.209) 15.087 12.665 ( 0.178 4.662 0.307) 4.676 12.846 ( -1.511 6.655 1.740) 7.043 13.130 ( 3.132 3.784 -2.671) 5.591 13.410 ( -8.557 7.549 -2.756) 11.739 13.518 ( 1.853 2.541 9.351) 9.866 13.618 ( 4.013 -6.254 -5.687) 9.358 13.895 ( 1.741 3.074 -4.181) 5.473 14.147 ( 3.088 -5.461 -3.582) 7.224 14.308 ( -4.050 -1.339 3.260) 5.369 14.585 ( -8.233 -6.531 1.256) 10.583 15.111 ( -13.914 -15.303 1.102) 20.712 17.216 ( 16.623 15.078 -1.373) 22.485 17.741 ( 6.392 5.717 1.493) 8.705 18.011 ( -0.780 -2.636 1.057) 2.945 18.490 ( 3.506 -1.663 -3.239) 5.054 20.934 ( -2.679 1.728 1.739) 3.631 21.376 ( 3.954 -0.840 -4.540) 6.079 21.595 ( -2.661 3.602 2.829) 5.297 21.755 ( -0.557 1.210 0.843) 1.576 22.156 ( -1.449 -0.319 -1.231) 1.928 22.484 ( 6.729 8.075 12.679) 16.470 22.795 ( -8.115 -2.473 -6.507) 10.691 22.930 ( -4.358 -9.810 -1.698) 10.868 23.357 ( 0.866 -8.469 0.554) 8.532 23.393 ( -2.720 -9.299 -0.273) 9.692 23.843 ( -0.365 1.441 -0.305) 1.518 23.956 ( -0.841 1.387 0.684) 1.760 24.048 ( 0.144 -1.774 -0.277) 1.801 24.118 ( 2.691 -0.606 -0.987) 2.929 24.242 ( -0.474 -0.401 -0.008) 0.621 24.961 ( 7.941 14.957 -2.315) 17.091 ======================= Grid point 108 (46/140) ======================= q-point: ( 0.56 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.707 ( -0.291 2.089 6.473) 6.809 1.905 ( 6.020 -5.933 1.096) 8.523 1.956 ( -0.023 -7.536 1.386) 7.662 2.122 ( -4.032 -3.775 -1.139) 5.640 2.248 ( 2.859 -11.507 -9.694) 15.315 2.479 ( 1.882 -3.503 4.761) 6.204 2.565 ( -3.192 1.502 -10.917) 11.473 2.591 ( -4.831 -6.523 -3.122) 8.696 2.760 ( -1.455 -9.104 7.204) 11.700 2.813 ( 0.327 -2.644 2.158) 3.429 2.858 ( -0.413 -1.380 3.622) 3.898 2.978 ( -0.886 -4.065 1.063) 4.294 2.990 ( -1.714 3.088 -7.077) 7.909 3.246 ( -4.957 -0.990 1.010) 5.155 3.364 ( 4.292 -2.377 -2.935) 5.717 3.492 ( 2.036 0.325 3.449) 4.018 3.660 ( -6.592 -5.234 5.828) 10.238 3.819 ( 8.807 -6.190 3.412) 11.293 3.924 ( -1.656 -8.469 -6.401) 10.744 4.144 ( 1.517 6.889 1.203) 7.156 4.183 ( -0.809 -0.057 -5.572) 5.630 4.304 ( 4.237 -1.091 4.096) 5.994 4.349 ( 3.714 -2.479 -3.778) 5.849 4.555 ( 4.816 3.253 3.491) 6.780 4.755 ( -4.787 -0.872 -1.858) 5.208 4.826 ( -4.603 0.546 -0.426) 4.655 4.916 ( -0.693 1.090 -1.406) 1.909 5.180 ( -0.837 1.120 -0.231) 1.417 5.299 ( -2.792 -3.367 -0.651) 4.422 5.348 ( 3.369 1.917 3.541) 5.250 5.384 ( -5.231 1.164 7.653) 9.343 5.617 ( 2.465 4.002 2.401) 5.278 5.784 ( 3.038 -1.142 -7.103) 7.810 5.879 ( 2.416 4.719 -2.282) 5.772 6.041 ( 1.810 3.060 4.628) 5.836 6.158 ( -2.953 2.984 -3.613) 5.539 6.201 ( 1.059 -1.313 1.824) 2.484 6.570 ( -1.045 -1.343 -0.054) 1.703 6.729 ( -3.025 -1.926 -1.120) 3.757 7.079 ( 4.948 4.694 -0.429) 6.834 7.495 ( -0.944 -0.608 1.703) 2.040 7.790 ( 0.561 3.794 0.539) 3.873 7.885 ( -0.504 4.952 0.121) 4.980 7.919 ( 4.361 5.348 -0.748) 6.941 8.055 ( 1.558 1.851 -1.744) 2.982 8.224 ( -6.154 2.419 -0.025) 6.613 8.338 ( -3.034 -2.576 2.149) 4.523 8.363 ( -4.257 -2.888 2.786) 5.850 8.785 ( -1.998 -9.837 3.021) 10.483 9.185 ( 0.080 0.484 -2.919) 2.960 9.558 ( -3.396 -2.008 -4.908) 6.297 9.690 ( -1.063 2.359 7.706) 8.129 10.061 ( 8.915 8.375 1.809) 12.364 10.459 ( 7.463 -10.469 -9.466) 15.966 10.601 ( -10.405 -2.061 -1.800) 10.759 10.907 ( 5.498 -1.273 -7.469) 9.361 11.019 ( 3.615 -2.452 2.054) 4.827 11.070 ( -1.542 -2.873 -2.723) 4.248 11.193 ( -1.636 -10.588 -0.065) 10.714 11.462 ( 0.200 2.712 -0.514) 2.768 11.564 ( 2.379 1.766 7.652) 8.206 11.824 ( -1.574 0.939 2.768) 3.320 11.968 ( -10.140 -2.251 1.000) 10.435 12.014 ( -2.994 -0.406 1.128) 3.226 12.385 ( 5.730 8.729 0.629) 10.461 12.599 ( 1.571 3.630 0.493) 3.986 12.741 ( -3.070 4.574 1.614) 5.740 12.991 ( -2.344 10.155 -1.941) 10.601 13.264 ( -1.378 0.780 -6.443) 6.635 13.608 ( 11.149 0.988 6.905) 13.151 13.701 ( 2.095 -1.687 -3.184) 4.168 13.876 ( 1.096 -2.404 -1.536) 3.056 14.194 ( -4.320 -2.387 -1.562) 5.176 14.315 ( -4.903 -1.504 1.921) 5.477 14.690 ( 0.800 -8.280 1.858) 8.524 15.252 ( -11.693 -12.685 0.682) 17.265 17.065 ( 10.102 15.222 2.209) 18.402 17.672 ( 4.314 6.681 -2.026) 8.206 18.048 ( -2.329 -2.601 2.463) 4.273 18.523 ( 2.777 -1.063 -3.194) 4.364 20.893 ( -2.637 1.863 2.223) 3.920 21.374 ( 3.208 1.521 -5.238) 6.327 21.552 ( -1.982 1.031 3.346) 4.023 21.751 ( 0.267 -0.372 0.320) 0.559 22.164 ( 0.229 -2.089 -4.441) 4.914 22.354 ( -1.728 10.355 2.694) 10.838 22.834 ( -1.004 -5.338 0.552) 5.459 23.053 ( -1.575 -7.765 0.811) 7.965 23.514 ( 0.580 -8.610 1.327) 8.731 23.525 ( -1.237 -8.046 0.363) 8.149 23.816 ( -0.285 1.459 0.290) 1.515 23.919 ( -1.293 1.532 -0.852) 2.179 24.082 ( -0.089 -1.760 0.454) 1.820 24.127 ( 1.857 1.579 -0.606) 2.512 24.254 ( 0.346 -0.781 0.858) 1.210 24.741 ( 3.963 14.965 -1.804) 15.585 ======================= Grid point 109 (47/140) ======================= q-point: (-0.33 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -6.956 10.541 7.246) 14.560 1.961 ( 2.768 6.726 4.433) 8.518 2.103 ( 1.754 -6.274 2.186) 6.871 2.146 ( -3.316 -5.369 -3.015) 6.994 2.380 ( 4.444 -3.289 -5.526) 7.817 2.441 ( -1.100 4.361 -8.154) 9.312 2.558 ( 1.202 -2.433 1.166) 2.954 2.628 ( -1.898 -3.325 -2.094) 4.364 2.797 ( 2.599 -2.923 -2.663) 4.732 2.852 ( 1.804 5.372 1.728) 5.924 2.931 ( -2.875 -4.643 -0.758) 5.513 2.985 ( -0.660 -5.328 8.385) 9.956 3.104 ( 0.421 -5.971 -2.931) 6.664 3.220 ( -4.750 -1.446 1.580) 5.210 3.441 ( 7.136 -1.253 -0.768) 7.285 3.501 ( -0.183 -0.448 -0.454) 0.663 3.715 ( -5.975 -3.805 4.009) 8.139 3.932 ( 1.015 1.489 0.739) 1.947 3.990 ( -1.187 6.078 -4.625) 7.729 4.060 ( -1.708 -4.312 -1.852) 4.994 4.130 ( 2.490 -1.292 -0.129) 2.808 4.293 ( 1.135 3.154 1.447) 3.651 4.374 ( -1.056 1.039 -5.800) 5.987 4.560 ( 1.266 1.357 3.475) 3.939 4.740 ( -0.405 1.750 5.319) 5.614 4.861 ( 6.248 -5.575 -7.838) 11.470 4.950 ( -1.094 -4.503 -0.182) 4.637 5.194 ( 1.294 -1.498 3.710) 4.205 5.261 ( -3.074 4.452 3.661) 6.532 5.325 ( -2.682 -1.537 1.755) 3.555 5.426 ( -2.251 -0.101 4.467) 5.003 5.584 ( -2.037 0.288 4.537) 4.982 5.747 ( 1.971 8.306 -3.176) 9.108 5.816 ( 1.821 -1.940 -7.081) 7.564 6.008 ( 0.467 2.545 -4.763) 5.421 6.155 ( 1.691 -2.602 7.412) 8.036 6.233 ( -0.035 -0.516 1.552) 1.636 6.557 ( -0.776 2.256 -0.784) 2.512 6.736 ( -0.781 -2.738 -3.936) 4.858 7.045 ( 0.524 1.508 -1.986) 2.548 7.550 ( 0.259 -4.402 0.935) 4.508 7.742 ( -1.068 1.897 1.329) 2.550 7.781 ( 1.579 3.985 -2.056) 4.754 7.883 ( 1.824 3.562 0.117) 4.004 8.017 ( -1.673 0.767 1.914) 2.655 8.208 ( 2.162 -1.301 1.292) 2.835 8.299 ( -5.118 -0.215 1.847) 5.445 8.462 ( -0.184 -4.790 0.806) 4.860 8.903 ( -2.339 -3.063 5.979) 7.113 9.191 ( 1.936 -2.623 -1.908) 3.777 9.508 ( -3.424 2.363 -2.855) 5.046 9.679 ( -0.117 1.745 4.114) 4.470 9.969 ( 2.646 8.351 -0.755) 8.793 10.539 ( -3.876 0.915 4.556) 6.051 10.641 ( 3.978 -9.532 -16.241) 19.247 10.930 ( 7.964 -0.127 -6.226) 10.110 11.062 ( -0.566 2.214 -0.128) 2.289 11.101 ( 0.815 -3.820 -0.878) 4.003 11.281 ( -2.728 -0.272 1.593) 3.170 11.415 ( -1.714 1.225 3.642) 4.208 11.635 ( 9.074 -2.370 -0.097) 9.379 11.810 ( -3.944 -0.909 1.345) 4.265 11.967 ( -5.985 -3.950 2.129) 7.480 12.004 ( -1.613 -0.548 -1.211) 2.090 12.311 ( -1.551 3.625 6.142) 7.299 12.581 ( 1.561 1.692 3.441) 4.140 12.668 ( -4.063 0.491 -0.433) 4.115 12.817 ( -0.183 7.250 -2.042) 7.534 13.248 ( 0.452 -1.799 -5.707) 6.001 13.611 ( 6.994 5.376 -3.990) 9.682 13.783 ( 3.090 -3.915 4.875) 6.975 13.941 ( 3.263 -2.606 -0.348) 4.190 14.172 ( -5.771 -0.709 0.206) 5.818 14.295 ( -4.113 0.218 0.356) 4.134 14.862 ( 4.129 -7.518 3.211) 9.159 15.365 ( -8.280 -10.025 -0.735) 13.023 16.889 ( 2.876 13.015 3.877) 13.882 17.580 ( 3.287 5.709 -4.311) 7.873 18.092 ( -1.783 -3.247 2.028) 4.224 18.534 ( 2.272 0.231 -3.354) 4.058 20.859 ( -2.473 0.998 2.884) 3.928 21.340 ( 2.501 1.816 -4.646) 5.580 21.553 ( -0.644 -0.020 3.803) 3.857 21.763 ( -0.272 -0.590 -0.171) 0.672 22.103 ( -1.126 7.191 -3.815) 8.217 22.280 ( -2.896 -4.721 -2.470) 6.064 22.911 ( 1.271 -2.483 2.343) 3.643 23.180 ( 3.088 -5.789 3.538) 7.454 23.636 ( 0.154 -5.349 0.681) 5.394 23.653 ( -0.502 -6.355 1.418) 6.530 23.790 ( 0.037 1.954 0.384) 1.992 23.883 ( -1.120 0.748 -1.731) 2.194 24.051 ( -0.042 6.640 -0.016) 6.640 24.125 ( 0.400 -1.414 0.041) 1.470 24.281 ( 0.435 -1.764 0.734) 1.959 24.529 ( -0.130 10.536 -2.171) 10.758 ======================= Grid point 110 (48/140) ======================= q-point: (-0.22 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.372 ( -7.407 12.725 10.888) 18.313 1.809 ( 2.190 15.368 7.815) 17.380 2.111 ( -1.360 5.110 3.941) 6.595 2.191 ( -1.613 0.903 -8.958) 9.147 2.337 ( 2.133 4.112 -2.620) 5.322 2.415 ( 3.212 -0.140 2.395) 4.009 2.580 ( 0.135 -0.072 -1.049) 1.060 2.689 ( 2.163 -5.198 -0.736) 5.678 2.793 ( 3.601 5.140 0.834) 6.332 2.876 ( 2.386 -4.025 -4.436) 6.448 2.953 ( -0.142 1.146 1.908) 2.230 3.089 ( -1.005 -3.775 6.002) 7.161 3.139 ( -1.690 -0.597 -2.029) 2.707 3.217 ( -0.345 1.986 0.885) 2.202 3.435 ( 2.082 5.356 0.036) 5.746 3.500 ( 0.940 2.974 -2.754) 4.161 3.726 ( -5.872 -3.149 -2.590) 7.148 3.825 ( -1.678 3.355 4.962) 6.221 3.930 ( -5.952 0.934 -2.812) 6.649 4.029 ( 0.638 0.201 -3.956) 4.012 4.215 ( 3.514 1.670 -2.112) 4.427 4.261 ( -4.574 4.600 -5.139) 8.276 4.315 ( 4.750 -4.033 1.847) 6.499 4.587 ( 0.713 -1.157 4.094) 4.314 4.729 ( 1.993 1.760 2.026) 3.343 4.972 ( 9.647 -2.566 -5.427) 11.362 4.994 ( -4.761 -2.655 1.062) 5.554 5.204 ( -4.421 1.768 5.342) 7.155 5.252 ( 0.645 -1.947 2.781) 3.455 5.314 ( -4.908 -0.386 1.458) 5.134 5.397 ( 0.846 4.683 3.114) 5.687 5.620 ( -0.081 -0.110 0.441) 0.462 5.672 ( -1.340 -3.712 3.267) 5.123 5.810 ( -0.291 -1.507 -8.722) 8.856 5.967 ( 2.293 1.120 -5.368) 5.944 6.241 ( 0.368 -1.181 5.445) 5.584 6.266 ( 1.093 -2.864 2.668) 4.064 6.483 ( -0.328 4.469 0.045) 4.481 6.773 ( 2.194 -3.786 -7.938) 9.064 7.011 ( -3.704 -0.291 -3.331) 4.990 7.631 ( 0.708 -4.817 0.357) 4.882 7.702 ( 0.667 2.080 -0.454) 2.231 7.790 ( -1.846 -3.635 1.372) 4.302 7.842 ( -0.691 0.246 -1.988) 2.119 8.062 ( 2.649 -1.933 4.121) 5.267 8.245 ( 0.031 -1.774 -0.903) 1.991 8.322 ( 1.115 -2.601 3.110) 4.205 8.512 ( -1.079 -1.674 0.215) 2.003 8.929 ( -3.873 -0.106 9.056) 9.850 9.276 ( 2.262 -4.421 1.308) 5.136 9.426 ( 0.225 3.154 -1.961) 3.721 9.659 ( -1.208 2.717 2.786) 4.075 9.818 ( -3.006 7.697 -2.546) 8.646 10.535 ( 2.502 1.485 4.806) 5.618 10.682 ( 1.044 -2.379 -16.337) 16.542 10.919 ( 1.861 5.292 -3.848) 6.803 11.046 ( 3.553 -0.679 2.981) 4.687 11.158 ( 0.835 -4.091 -4.509) 6.145 11.251 ( -1.345 0.800 -1.325) 2.051 11.400 ( 0.623 3.669 4.763) 6.044 11.666 ( 2.748 2.245 -2.940) 4.608 11.883 ( -1.746 -5.438 4.038) 6.995 11.978 ( -1.770 -1.872 0.147) 2.581 12.024 ( 2.922 -1.666 -1.654) 3.748 12.298 ( -8.253 -2.062 7.488) 11.333 12.564 ( -1.262 2.124 4.611) 5.231 12.667 ( -1.994 -0.151 0.036) 2.000 12.774 ( 3.917 -3.695 0.651) 5.424 13.262 ( 0.007 -2.590 -5.828) 6.378 13.569 ( 4.249 2.666 -1.447) 5.220 13.844 ( -6.569 -2.522 1.443) 7.183 14.000 ( 3.438 -0.949 0.476) 3.598 14.145 ( -1.982 0.335 -0.265) 2.027 14.264 ( 3.013 2.436 -0.179) 3.879 15.001 ( 0.316 -4.090 4.226) 5.890 15.460 ( -1.782 -7.304 -3.300) 8.210 16.723 ( -3.123 8.777 4.839) 10.498 17.500 ( 3.229 3.999 -4.965) 7.146 18.140 ( -0.697 -2.800 -1.184) 3.119 18.519 ( 2.207 1.580 -3.644) 4.544 20.858 ( -2.291 -1.035 4.620) 5.259 21.317 ( 2.620 0.781 -4.089) 4.919 21.574 ( 0.431 -0.138 4.583) 4.605 21.751 ( -1.412 1.145 -2.138) 2.806 21.970 ( -0.909 5.569 1.116) 5.752 22.352 ( -5.047 -8.630 -6.211) 11.770 22.952 ( 1.233 0.079 2.435) 2.730 23.330 ( 7.096 -4.322 5.059) 9.727 23.699 ( 0.647 -1.086 0.151) 1.273 23.715 ( -1.566 -0.759 0.674) 1.866 23.747 ( 1.684 4.047 1.016) 4.500 23.874 ( -1.126 -2.137 -2.830) 3.721 23.928 ( 0.268 5.793 1.663) 6.033 24.145 ( 0.233 -0.198 -0.414) 0.514 24.321 ( 0.545 -1.626 -0.246) 1.732 24.371 ( -3.420 5.140 -2.276) 6.580 ======================= Grid point 111 (49/140) ======================= q-point: (-0.11 0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.162 ( -3.484 14.257 14.508) 20.637 1.590 ( 4.351 18.601 10.914) 22.002 1.988 ( 4.106 13.724 8.219) 16.515 2.044 ( -4.890 5.931 -5.633) 9.530 2.241 ( 3.656 8.736 0.770) 9.501 2.446 ( -5.288 1.421 4.125) 6.856 2.598 ( 7.257 1.265 -0.796) 7.409 2.718 ( 1.363 5.002 0.132) 5.186 2.806 ( 3.702 -3.114 -0.262) 4.844 2.871 ( 0.281 4.350 -1.083) 4.491 2.915 ( 2.555 4.761 -0.820) 5.465 3.007 ( -2.975 11.546 2.265) 12.136 3.148 ( -4.444 -1.639 -0.611) 4.776 3.179 ( 3.871 3.118 0.339) 4.982 3.317 ( 2.728 5.316 -0.926) 6.046 3.513 ( 2.263 -3.737 0.805) 4.443 3.693 ( -7.629 -2.199 -6.859) 10.492 3.811 ( -8.392 4.003 -1.975) 9.505 3.863 ( -1.966 -2.613 1.973) 3.820 4.003 ( -2.532 1.699 -0.573) 3.103 4.139 ( -1.995 4.711 -0.998) 5.213 4.198 ( 5.401 -1.305 -10.145) 11.567 4.434 ( 4.330 -3.157 3.778) 6.556 4.634 ( -0.427 -2.443 2.749) 3.702 4.746 ( 5.669 1.684 3.276) 6.761 4.978 ( 0.219 0.312 -8.705) 8.714 5.030 ( -1.527 -1.720 1.135) 2.565 5.179 ( -4.381 3.196 3.039) 6.216 5.198 ( -3.251 1.432 6.516) 7.421 5.343 ( -0.410 -2.613 1.208) 2.908 5.419 ( 1.130 -5.072 4.703) 7.009 5.630 ( -1.454 -2.623 -4.518) 5.423 5.765 ( 4.436 -2.661 0.092) 5.174 5.810 ( -0.972 -2.712 -2.032) 3.525 5.944 ( 1.107 0.112 -3.995) 4.147 6.233 ( -0.381 6.770 -1.477) 6.940 6.289 ( -0.850 -1.598 -1.589) 2.409 6.518 ( 4.168 -5.920 7.973) 10.769 6.810 ( 1.807 -3.593 -9.838) 10.628 6.967 ( -4.690 -0.088 -2.604) 5.365 7.655 ( -2.085 1.858 -0.918) 2.940 7.735 ( 0.739 -4.754 -1.126) 4.941 7.850 ( -0.733 -3.343 -3.786) 5.103 7.879 ( -0.589 -6.469 3.186) 7.235 8.094 ( 0.881 0.118 0.179) 0.907 8.275 ( 1.998 0.445 -0.301) 2.069 8.385 ( 1.776 -1.139 4.044) 4.561 8.516 ( -2.569 -0.659 -0.266) 2.666 8.956 ( -7.967 -2.051 11.619) 14.236 9.311 ( 1.048 2.104 2.798) 3.654 9.460 ( 2.508 -3.526 -0.001) 4.327 9.577 ( 0.237 3.847 0.190) 3.859 9.711 ( -1.694 2.077 1.163) 2.922 10.553 ( 4.559 2.622 1.080) 5.369 10.609 ( 1.689 2.989 -11.891) 12.377 10.836 ( -0.130 3.045 0.364) 3.069 11.072 ( 2.738 2.203 0.820) 3.609 11.219 ( -5.289 -1.956 0.435) 5.656 11.227 ( 4.745 -2.582 -8.283) 9.888 11.338 ( 3.027 5.377 -2.106) 6.520 11.632 ( -0.141 2.445 -0.301) 2.467 11.903 ( -5.852 -1.651 3.401) 6.967 12.002 ( 0.813 2.289 -0.133) 2.432 12.115 ( 2.876 -5.964 2.379) 7.036 12.305 ( -10.432 -3.600 5.310) 12.247 12.561 ( 0.403 -0.176 3.534) 3.561 12.665 ( 2.090 -0.887 0.945) 2.459 12.963 ( 2.799 -11.555 5.824) 13.238 13.271 ( -1.899 -2.540 -5.243) 6.128 13.576 ( 3.168 -0.007 1.705) 3.598 13.808 ( -12.051 -2.336 -0.528) 12.287 13.999 ( -3.245 1.161 0.691) 3.515 14.121 ( 1.752 1.949 -2.765) 3.810 14.276 ( 10.664 2.221 -0.813) 10.923 15.024 ( -6.900 0.916 4.364) 8.216 15.546 ( 3.546 -3.730 -5.460) 7.504 16.614 ( -2.867 3.432 4.842) 6.592 17.456 ( 5.160 2.166 -4.458) 7.154 18.145 ( -0.242 0.311 -6.116) 6.129 18.484 ( 2.619 2.427 -3.936) 5.314 20.904 ( -2.548 -3.365 6.323) 7.603 21.316 ( 3.812 0.088 -3.535) 5.199 21.611 ( 0.483 -1.296 4.870) 5.063 21.682 ( -2.194 3.081 -3.080) 4.877 21.935 ( 1.757 1.631 7.597) 7.966 22.404 ( -9.445 -7.307 -7.230) 13.960 22.956 ( 0.825 1.371 1.785) 2.397 23.373 ( -0.980 5.349 -1.236) 5.576 23.634 ( -2.604 6.179 1.171) 6.807 23.668 ( -3.204 2.571 -2.489) 4.803 23.838 ( 12.527 -6.228 4.952) 14.840 23.889 ( 0.021 -1.470 -1.617) 2.185 23.919 ( 1.061 -0.666 3.082) 3.326 24.104 ( 1.818 4.786 -3.519) 6.213 24.276 ( 0.216 0.310 -0.386) 0.540 24.369 ( -1.719 -3.063 -0.298) 3.525 ======================= Grid point 115 (50/140) ======================= q-point: ( 0.33 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( 2.980 0.000 -16.595) 16.860 1.534 ( 1.041 0.000 3.058) 3.230 1.679 ( -1.898 -0.000 -3.323) 3.827 1.684 ( 21.061 0.000 8.100) 22.564 1.887 ( -12.301 -0.000 17.598) 21.470 2.055 ( 3.277 0.000 -12.206) 12.638 2.481 ( -6.761 -0.000 -4.376) 8.053 2.495 ( -8.577 -0.000 6.770) 10.927 2.587 ( 3.173 0.000 6.931) 7.623 2.659 ( -0.495 -0.000 0.717) 0.871 2.850 ( -2.493 -0.000 -4.851) 5.454 2.995 ( 8.520 0.000 -1.886) 8.726 3.039 ( 1.951 0.000 -8.158) 8.388 3.263 ( 4.478 0.000 16.225) 16.832 3.378 ( 2.853 0.000 -3.245) 4.321 3.458 ( -4.494 -0.000 -2.965) 5.384 3.634 ( -5.510 -0.000 3.334) 6.440 3.707 ( 2.137 0.000 2.384) 3.202 3.779 ( 6.260 0.000 -1.725) 6.493 3.891 ( -9.946 -0.000 -1.015) 9.997 4.156 ( 4.885 0.000 -16.322) 17.037 4.191 ( -1.131 -0.000 2.990) 3.197 4.371 ( 3.133 0.000 11.162) 11.594 4.472 ( -3.079 -0.000 7.020) 7.665 4.879 ( -8.530 -0.000 -3.405) 9.184 4.992 ( 3.209 0.000 -11.666) 12.099 5.056 ( -3.616 -0.000 -6.924) 7.811 5.189 ( 4.953 0.000 4.901) 6.968 5.251 ( 4.669 0.000 3.718) 5.969 5.374 ( -1.811 -0.000 2.771) 3.311 5.516 ( -1.761 -0.000 4.799) 5.112 5.734 ( -6.219 -0.000 2.487) 6.698 5.814 ( 1.941 0.000 0.140) 1.946 6.064 ( 4.883 0.000 2.956) 5.708 6.172 ( -2.693 -0.000 -6.319) 6.869 6.202 ( -2.148 -0.000 -1.011) 2.375 6.311 ( 5.397 0.000 1.692) 5.656 6.390 ( -4.246 -0.000 -0.034) 4.247 6.654 ( -0.585 -0.000 -2.185) 2.262 7.327 ( 6.109 0.000 -8.176) 10.206 7.653 ( 2.892 0.000 3.461) 4.510 7.806 ( 4.117 0.000 -1.699) 4.453 7.806 ( 3.554 0.000 -0.742) 3.630 8.092 ( -2.053 -0.000 1.340) 2.451 8.115 ( 1.922 0.000 -2.549) 3.193 8.161 ( 1.870 0.000 -5.647) 5.948 8.277 ( -4.695 -0.000 2.058) 5.126 8.489 ( -4.780 -0.000 4.102) 6.299 8.553 ( -17.371 -0.000 4.096) 17.847 9.077 ( -3.415 -0.000 2.219) 4.073 9.501 ( -3.202 -0.000 -2.683) 4.178 9.800 ( -0.870 -0.000 8.207) 8.253 9.923 ( -0.715 -0.000 -6.275) 6.316 10.242 ( 9.014 0.000 1.771) 9.187 10.693 ( -3.587 -0.000 0.229) 3.595 10.734 ( -3.147 -0.000 3.388) 4.625 10.873 ( -1.878 -0.000 -5.152) 5.484 10.926 ( 2.921 0.000 -3.412) 4.491 11.040 ( -2.049 -0.000 -4.244) 4.713 11.453 ( 8.909 0.000 8.051) 12.008 11.521 ( -3.119 -0.000 7.561) 8.179 11.949 ( -10.945 -0.000 -7.195) 13.099 11.963 ( 0.942 0.000 1.090) 1.441 12.065 ( 4.358 0.000 5.344) 6.896 12.746 ( -0.294 -0.000 0.550) 0.623 12.836 ( 10.148 0.000 2.961) 10.571 13.052 ( 5.787 0.000 -1.687) 6.027 13.056 ( -5.950 -0.000 0.889) 6.016 13.364 ( 7.037 0.000 -6.317) 9.457 13.515 ( -7.517 -0.000 4.880) 8.963 13.790 ( -10.202 -0.000 -9.088) 13.663 13.990 ( 3.397 0.000 -8.613) 9.259 14.037 ( 7.828 0.000 0.021) 7.828 14.298 ( -4.988 -0.000 4.366) 6.629 14.524 ( -11.339 -0.000 5.492) 12.599 14.631 ( -13.631 -0.000 0.606) 13.645 17.553 ( 19.134 0.000 -8.303) 20.858 17.845 ( 5.279 0.000 6.548) 8.411 17.945 ( 3.630 0.000 3.753) 5.222 18.456 ( 3.924 0.000 -3.253) 5.097 20.965 ( -2.019 -0.000 -0.256) 2.035 21.348 ( 4.571 0.000 -2.441) 5.182 21.685 ( -3.268 -0.000 2.561) 4.152 21.801 ( -5.009 -0.000 0.361) 5.022 22.174 ( -3.138 -0.000 -3.131) 4.433 22.504 ( 5.481 0.000 12.082) 13.267 22.693 ( -2.176 -0.000 4.343) 4.858 22.996 ( -7.593 -0.000 -7.452) 10.639 23.065 ( -1.066 -0.000 3.285) 3.454 23.209 ( 1.168 0.000 -1.504) 1.904 23.877 ( -0.074 -0.000 0.073) 0.103 23.977 ( 1.144 0.000 4.734) 4.870 24.018 ( -1.540 -0.000 -4.329) 4.595 24.096 ( 2.742 0.000 -1.901) 3.336 24.235 ( -0.818 -0.000 0.591) 1.009 25.256 ( 8.023 0.000 -6.057) 10.053 ======================= Grid point 116 (51/140) ======================= q-point: ( 0.44 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 2.734 -15.646 -14.429) 21.458 1.666 ( -0.900 -15.742 -0.695) 15.783 1.732 ( -1.098 -7.905 -4.094) 8.970 1.855 ( 8.717 -0.656 3.680) 9.484 1.937 ( 4.907 -4.772 6.510) 9.447 2.154 ( 2.524 -9.954 3.243) 10.769 2.399 ( -14.543 -0.975 -1.306) 14.634 2.455 ( -5.081 -1.037 2.536) 5.773 2.614 ( -2.060 -1.294 -5.305) 5.836 2.710 ( 2.273 -3.767 7.659) 8.832 2.829 ( -3.557 -1.898 -2.117) 4.554 2.978 ( 3.120 3.492 -5.338) 7.101 3.072 ( 4.993 -0.968 -6.019) 7.880 3.252 ( -0.985 2.618 -0.051) 2.797 3.439 ( 2.020 -1.439 13.008) 13.243 3.529 ( -1.755 7.984 -0.592) 8.196 3.540 ( 0.677 -5.243 1.506) 5.497 3.628 ( -7.512 1.031 0.997) 7.648 3.814 ( 7.221 0.321 0.676) 7.260 3.985 ( 2.046 -9.795 -4.412) 10.936 4.145 ( 5.068 -3.409 -12.372) 13.798 4.202 ( -1.321 -1.669 -0.010) 2.129 4.398 ( 0.542 3.278 10.038) 10.573 4.534 ( -2.948 -4.108 5.273) 7.306 4.784 ( -6.147 2.101 -4.230) 7.753 4.963 ( -2.357 3.140 0.510) 3.960 5.006 ( -1.991 -4.077 -8.911) 10.000 5.196 ( 4.147 9.754 2.062) 10.798 5.236 ( 2.945 0.665 2.258) 3.770 5.419 ( 0.360 0.420 6.685) 6.707 5.552 ( -0.176 -2.587 5.222) 5.830 5.616 ( -0.046 6.229 -1.589) 6.428 5.863 ( -0.096 -2.874 -0.179) 2.881 6.003 ( -2.364 9.211 -4.916) 10.705 6.130 ( 4.537 -0.401 3.048) 5.481 6.183 ( 1.148 1.754 -0.955) 2.304 6.313 ( -6.323 3.411 -0.697) 7.218 6.424 ( 2.161 -5.332 1.649) 5.986 6.662 ( -1.108 -1.959 -2.070) 3.057 7.283 ( 5.063 5.066 -6.667) 9.785 7.637 ( 0.677 5.599 4.351) 7.123 7.830 ( 3.781 -0.980 0.563) 3.946 7.881 ( 3.665 -2.554 -1.796) 4.815 8.072 ( -0.825 -0.660 0.637) 1.234 8.135 ( 0.314 -0.952 -0.611) 1.174 8.160 ( 4.088 1.157 -3.465) 5.483 8.277 ( -3.241 -2.543 0.760) 4.189 8.431 ( -13.234 1.877 4.629) 14.145 8.479 ( -5.436 -2.088 3.078) 6.586 9.106 ( -2.900 -4.510 -0.571) 5.393 9.459 ( -2.429 -1.510 -7.973) 8.470 9.803 ( -1.256 3.540 10.808) 11.442 9.998 ( 0.309 -12.489 -11.355) 16.883 10.288 ( 8.788 3.741 1.960) 9.750 10.630 ( -5.938 2.590 1.144) 6.578 10.764 ( -4.706 -5.500 0.985) 7.305 10.890 ( 2.163 -3.560 -2.193) 4.708 10.949 ( 1.895 -2.273 -2.611) 3.946 11.015 ( 0.807 -0.073 -3.815) 3.901 11.525 ( 0.124 1.067 5.235) 5.344 11.563 ( 4.691 -0.896 8.031) 9.344 11.833 ( -11.123 -0.437 -4.338) 11.947 11.982 ( 1.014 -0.433 0.567) 1.240 12.077 ( 0.974 4.399 4.878) 6.640 12.715 ( 0.044 2.737 -1.942) 3.356 12.774 ( 7.923 12.265 -1.769) 14.708 12.961 ( -0.627 5.906 3.464) 6.876 13.155 ( 1.986 -2.616 -2.994) 4.445 13.438 ( -5.175 -0.060 -2.592) 5.788 13.485 ( 3.890 -4.772 1.928) 6.451 13.610 ( -5.626 6.180 -2.362) 8.685 13.953 ( 3.650 3.078 -8.501) 9.750 14.112 ( 7.393 -1.401 -0.271) 7.530 14.284 ( -4.313 -0.175 4.491) 6.229 14.438 ( -8.042 -3.244 2.310) 8.974 14.747 ( -11.803 -16.307 1.301) 20.172 17.557 ( 15.034 10.943 -1.430) 18.650 17.878 ( 2.724 3.634 5.027) 6.775 17.989 ( 0.497 -0.927 3.029) 3.207 18.478 ( 3.316 -1.055 -3.055) 4.631 20.944 ( -1.774 0.883 0.385) 2.019 21.376 ( 4.201 -0.626 -3.037) 5.221 21.645 ( -2.997 3.014 2.065) 4.725 21.760 ( -2.912 0.586 0.070) 2.971 22.119 ( -2.736 -0.010 -7.479) 7.964 22.611 ( -2.254 -6.094 0.501) 6.517 22.750 ( -1.087 4.905 0.982) 5.119 22.799 ( -1.017 1.285 7.537) 7.713 23.212 ( -1.396 -10.446 1.673) 10.671 23.260 ( 1.675 -4.562 0.794) 4.924 23.868 ( 0.002 1.268 1.023) 1.629 23.964 ( -1.691 0.703 -3.263) 3.742 24.030 ( 1.074 -0.827 2.988) 3.281 24.111 ( 1.974 -0.993 -2.303) 3.192 24.244 ( 0.228 -0.159 3.013) 3.026 25.201 ( 5.916 9.051 -5.533) 12.146 ======================= Grid point 117 (52/140) ======================= q-point: (-0.44 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( 2.297 -17.547 -5.014) 18.393 1.819 ( -3.310 -5.647 -1.045) 6.629 1.886 ( 1.537 -8.044 -0.997) 8.250 2.001 ( -0.739 -6.235 -4.428) 7.683 2.104 ( 11.806 -8.074 3.060) 14.627 2.298 ( -10.839 -9.790 -3.339) 14.982 2.384 ( -5.742 -7.774 0.806) 9.698 2.495 ( -0.620 -5.204 -2.573) 5.838 2.620 ( -2.192 -6.435 0.635) 6.827 2.802 ( -0.841 -1.307 -3.840) 4.143 2.867 ( 2.187 -0.640 7.358) 7.703 2.938 ( 1.970 -2.307 2.620) 4.009 3.030 ( 0.726 3.701 -9.362) 10.093 3.239 ( 0.612 1.635 2.508) 3.055 3.373 ( -0.514 4.713 2.658) 5.435 3.544 ( -0.005 -0.880 6.391) 6.451 3.567 ( -4.602 -2.879 2.489) 5.972 3.695 ( 0.265 -8.851 -1.009) 8.912 3.871 ( 5.296 -1.505 0.914) 5.581 4.082 ( -2.211 -4.170 -8.468) 9.695 4.189 ( -1.601 -1.373 -1.738) 2.733 4.283 ( 9.026 -6.386 -8.195) 13.763 4.393 ( 0.625 2.462 7.743) 8.149 4.586 ( -3.625 -4.950 -0.842) 6.193 4.684 ( -1.821 4.045 -1.546) 4.698 4.884 ( -2.369 4.760 5.497) 7.648 4.976 ( -2.963 4.150 -2.174) 5.544 5.139 ( 3.790 -1.198 -2.890) 4.914 5.242 ( -0.052 0.815 3.865) 3.950 5.437 ( 0.701 2.809 7.372) 7.920 5.458 ( -4.045 5.034 5.174) 8.274 5.697 ( 8.590 -2.866 -1.383) 9.160 5.797 ( -2.370 7.495 -4.260) 8.941 5.914 ( 2.268 -0.561 -1.941) 3.037 6.127 ( -0.519 3.802 2.164) 4.406 6.169 ( -3.936 2.991 -1.826) 5.270 6.233 ( 4.114 0.254 3.781) 5.594 6.506 ( -1.790 -3.717 0.303) 4.136 6.673 ( -1.340 -1.740 -1.918) 2.916 7.188 ( 2.110 6.290 -4.744) 8.156 7.549 ( -0.950 5.480 3.774) 6.721 7.862 ( 1.158 3.633 -0.597) 3.859 7.897 ( 1.148 -1.359 0.877) 1.984 8.084 ( 3.957 7.474 -2.302) 8.765 8.107 ( 4.178 0.472 0.027) 4.204 8.205 ( -1.036 -2.510 -1.295) 3.009 8.238 ( -5.077 -1.274 3.283) 6.179 8.351 ( -8.028 1.899 4.863) 9.576 8.598 ( 0.118 -11.890 3.726) 12.461 9.145 ( -2.032 -3.275 -3.813) 5.421 9.452 ( -1.689 -3.945 -8.993) 9.965 9.776 ( -1.599 4.124 10.369) 11.273 10.184 ( 0.688 -14.378 -15.318) 21.020 10.262 ( 6.924 5.871 -1.308) 9.172 10.563 ( -4.099 1.392 4.157) 6.002 10.842 ( -1.097 -6.231 -1.858) 6.594 10.971 ( 0.356 -4.999 -2.608) 5.650 11.013 ( -0.095 -2.916 -0.595) 2.977 11.043 ( 5.422 -5.532 -0.516) 7.763 11.489 ( -4.771 2.647 0.646) 5.494 11.649 ( 3.598 -1.230 6.536) 7.562 11.780 ( -5.354 -1.395 1.566) 5.750 11.968 ( 0.504 5.753 -0.533) 5.800 12.011 ( -3.564 1.459 4.845) 6.189 12.611 ( 5.956 12.074 -0.625) 13.478 12.651 ( -0.263 2.948 -4.092) 5.050 12.846 ( -1.409 8.369 3.297) 9.105 13.126 ( 0.255 5.939 -3.888) 7.103 13.262 ( -4.066 5.926 -5.554) 9.083 13.592 ( -2.716 -5.319 3.542) 6.944 13.685 ( 7.463 -7.244 0.219) 10.403 13.876 ( 2.054 3.842 -4.891) 6.550 14.160 ( 1.904 -0.303 0.330) 1.956 14.275 ( -4.361 -0.484 3.346) 5.518 14.547 ( 0.237 -10.158 2.766) 10.531 14.941 ( -8.175 -15.253 -0.081) 17.305 17.420 ( 8.625 16.503 3.179) 18.891 17.814 ( 1.633 7.018 1.069) 7.284 18.018 ( -1.219 -1.239 3.980) 4.344 18.508 ( 2.585 -1.378 -3.008) 4.198 20.912 ( -1.994 1.597 1.052) 2.762 21.395 ( 4.191 0.387 -4.492) 6.156 21.580 ( -2.967 2.555 2.656) 4.731 21.745 ( -0.801 -0.295 -0.029) 0.854 22.080 ( -2.506 -2.464 -8.599) 9.289 22.473 ( -8.977 7.266 -11.234) 16.112 22.779 ( 4.531 -2.855 9.369) 10.792 22.947 ( 2.182 -7.204 8.574) 11.410 23.372 ( -1.027 -8.921 0.926) 9.027 23.390 ( 1.333 -8.186 2.956) 8.805 23.848 ( 0.299 1.759 1.191) 2.145 23.925 ( -1.312 0.807 -2.888) 3.274 24.060 ( 0.357 -0.862 1.155) 1.485 24.134 ( 0.946 -0.957 -0.746) 1.539 24.265 ( 0.792 0.099 3.542) 3.631 25.007 ( 2.964 14.729 -5.172) 15.890 ======================= Grid point 118 (53/140) ======================= q-point: (-0.33 -0.67 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.696 ( -6.729 4.603 3.014) 8.692 1.938 ( 1.541 -12.630 0.993) 12.763 1.997 ( -3.892 -5.413 -6.014) 8.979 2.043 ( 3.374 -5.295 6.071) 8.734 2.312 ( -0.063 -4.873 -9.852) 10.991 2.390 ( 0.941 -7.259 -4.586) 8.637 2.443 ( -5.192 -7.949 -0.993) 9.546 2.552 ( 1.233 -3.811 -0.264) 4.014 2.771 ( 1.769 -1.142 -3.766) 4.315 2.823 ( 1.064 -10.267 2.986) 10.746 2.866 ( -0.344 1.534 -5.411) 5.635 2.992 ( 1.575 -4.283 0.932) 4.658 3.047 ( 4.430 2.054 7.874) 9.265 3.182 ( -3.856 1.703 2.775) 5.047 3.413 ( 4.215 -4.789 -0.767) 6.426 3.541 ( -1.044 2.008 4.289) 4.850 3.629 ( -3.674 -4.412 3.641) 6.798 3.833 ( -2.287 -8.141 -3.969) 9.341 3.972 ( 3.628 -4.554 -0.817) 5.880 4.035 ( -0.975 2.055 -7.285) 7.632 4.162 ( -2.932 1.433 2.967) 4.410 4.325 ( 0.612 -0.660 -7.864) 7.915 4.387 ( 0.451 3.903 2.005) 4.411 4.583 ( -6.838 -0.770 -2.847) 7.447 4.737 ( 8.103 -7.002 0.623) 10.728 4.821 ( 1.108 4.578 6.063) 7.678 4.925 ( 1.695 -0.015 -1.839) 2.501 5.185 ( 0.775 -2.482 2.398) 3.537 5.256 ( -3.822 -1.636 3.817) 5.644 5.330 ( -4.623 4.975 0.996) 6.864 5.486 ( 3.460 1.693 8.859) 9.660 5.647 ( -2.521 6.340 1.515) 6.989 5.769 ( 2.280 -1.277 -5.181) 5.803 5.872 ( 2.056 6.144 -4.815) 8.072 6.054 ( -1.561 4.599 -2.172) 5.320 6.130 ( 0.141 -3.135 4.207) 5.248 6.298 ( 5.960 1.891 6.442) 8.978 6.535 ( -2.736 -2.347 -1.534) 3.918 6.683 ( -0.093 -1.513 -2.731) 3.123 7.066 ( -2.863 4.477 -5.608) 7.726 7.519 ( 0.626 -0.306 3.628) 3.694 7.777 ( -0.859 4.250 -1.083) 4.469 7.884 ( -0.350 5.614 -0.394) 5.639 7.970 ( -0.001 5.963 -0.072) 5.963 8.089 ( 4.559 4.154 3.229) 6.962 8.203 ( 2.632 -2.176 0.587) 3.465 8.282 ( -6.000 1.924 2.749) 6.875 8.359 ( 0.028 -7.469 1.461) 7.611 8.809 ( -0.982 -8.687 5.547) 10.353 9.162 ( 0.885 -2.434 -3.250) 4.156 9.464 ( -1.054 -2.803 -5.977) 6.685 9.744 ( -1.011 3.339 7.017) 7.837 10.101 ( -5.612 8.295 -2.993) 10.452 10.389 ( 5.462 -11.382 -16.801) 21.015 10.575 ( 2.423 -0.800 4.453) 5.133 10.923 ( 3.314 -4.278 -5.237) 7.530 11.034 ( 2.977 -1.990 -4.662) 5.879 11.058 ( -0.231 -3.809 1.824) 4.230 11.224 ( 1.487 -7.795 3.767) 8.785 11.410 ( -4.721 0.590 0.602) 4.796 11.700 ( 5.226 2.211 2.810) 6.332 11.803 ( -6.304 -5.405 5.439) 9.927 11.845 ( -3.215 5.439 -1.321) 6.454 12.002 ( -1.386 0.474 2.282) 2.712 12.463 ( 2.454 9.569 2.451) 10.178 12.595 ( -0.422 0.437 -4.797) 4.836 12.714 ( -2.870 7.072 3.734) 8.497 12.956 ( 1.124 9.597 -2.186) 9.907 13.201 ( 0.392 -0.826 -6.290) 6.356 13.637 ( -4.847 -2.588 -5.638) 7.873 13.779 ( 2.964 2.025 3.246) 4.839 13.892 ( 0.846 -5.607 1.374) 5.835 14.177 ( 3.421 0.740 1.393) 3.767 14.276 ( -0.706 -0.848 1.765) 2.082 14.746 ( 0.002 -10.155 4.541) 11.124 15.131 ( -1.658 -12.518 -1.573) 12.724 17.181 ( 0.038 17.562 4.593) 18.152 17.699 ( 1.974 7.558 -2.224) 8.122 18.057 ( -0.170 -1.810 4.207) 4.583 18.530 ( 2.055 -0.822 -3.143) 3.844 20.874 ( -2.207 1.553 1.734) 3.208 21.376 ( 3.405 2.388 -5.132) 6.606 21.562 ( -1.247 -0.418 3.935) 4.149 21.747 ( -1.049 -0.563 -0.394) 1.254 22.077 ( -2.140 -3.455 -8.898) 9.782 22.254 ( -6.033 5.878 -6.488) 10.632 22.896 ( 2.426 -3.129 6.248) 7.396 23.130 ( 5.152 -6.826 6.979) 11.038 23.520 ( -0.593 -8.623 1.181) 8.724 23.545 ( 0.732 -7.130 3.273) 7.879 23.827 ( 0.827 1.847 0.948) 2.235 23.889 ( -0.530 1.177 -2.292) 2.630 24.076 ( -1.071 -0.939 -0.209) 1.440 24.139 ( 0.612 0.930 0.127) 1.121 24.283 ( 1.039 0.327 2.744) 2.953 24.729 ( -1.075 15.508 -5.290) 16.420 ======================= Grid point 119 (54/140) ======================= q-point: (-0.22 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.540 ( -7.167 8.220 7.219) 13.079 2.031 ( -2.727 0.440 2.573) 3.775 2.084 ( 0.926 0.828 -1.424) 1.890 2.148 ( 1.533 -4.741 1.642) 5.247 2.294 ( -3.532 -5.248 -3.793) 7.376 2.466 ( 0.003 -0.530 0.138) 0.548 2.562 ( 0.992 -8.406 -2.417) 8.803 2.611 ( 4.938 0.688 -0.791) 5.048 2.796 ( 0.634 -1.025 -3.633) 3.827 2.851 ( 2.865 -5.566 -0.718) 6.301 2.978 ( 5.415 3.180 -6.430) 8.987 3.042 ( 0.539 -6.681 1.230) 6.815 3.086 ( 0.745 -2.668 4.520) 5.301 3.191 ( -5.059 -1.254 5.189) 7.355 3.498 ( -0.980 0.416 1.175) 1.586 3.542 ( 8.407 -1.106 -1.470) 8.606 3.648 ( -7.910 -0.164 2.518) 8.302 3.853 ( -2.180 2.771 -6.760) 7.624 3.925 ( 0.241 -0.926 -2.986) 3.136 4.029 ( -2.577 1.687 0.816) 3.187 4.210 ( -2.508 -3.511 -0.805) 4.389 4.271 ( -0.231 2.185 -3.876) 4.456 4.327 ( 3.242 2.695 1.019) 4.337 4.563 ( -4.148 -3.011 0.973) 5.218 4.808 ( 5.530 3.740 4.932) 8.301 4.889 ( -2.217 -5.769 -0.694) 6.219 4.975 ( 8.082 -3.172 -3.419) 9.331 5.223 ( -6.527 2.069 5.098) 8.537 5.251 ( -1.088 -0.750 0.950) 1.627 5.273 ( -2.289 -1.394 4.359) 5.117 5.506 ( 4.702 3.558 4.213) 7.247 5.575 ( -5.159 -1.153 4.314) 6.823 5.697 ( -3.697 5.328 -5.652) 8.602 5.788 ( 4.189 2.277 -4.476) 6.540 5.982 ( -0.155 2.418 -1.621) 2.915 6.227 ( 1.781 -3.333 1.569) 4.091 6.310 ( 2.551 3.112 7.073) 8.137 6.527 ( 0.408 0.830 -1.304) 1.599 6.703 ( 1.569 -2.122 -5.326) 5.944 6.960 ( -5.180 1.069 -5.662) 7.749 7.579 ( 1.805 -3.176 1.687) 4.024 7.723 ( -2.109 0.584 0.708) 2.300 7.776 ( -0.633 4.400 -1.733) 4.772 7.875 ( -1.504 4.293 1.040) 4.666 8.114 ( 7.167 1.107 3.818) 8.196 8.220 ( -2.847 0.636 0.282) 2.931 8.301 ( 3.079 -3.783 3.547) 6.032 8.459 ( -0.674 -3.931 0.088) 3.989 8.890 ( -6.971 -2.669 4.352) 8.640 9.239 ( 4.754 -4.628 1.178) 6.739 9.470 ( 1.475 0.644 -0.250) 1.629 9.714 ( -0.752 2.962 3.725) 4.818 9.882 ( -9.469 7.683 -4.562) 13.019 10.496 ( 4.182 -5.950 -13.101) 14.984 10.641 ( 5.412 -1.177 0.804) 5.597 10.998 ( 8.349 -2.097 -7.125) 11.175 11.017 ( -1.930 1.709 -2.860) 3.851 11.126 ( 1.394 -1.871 0.670) 2.428 11.254 ( -2.893 1.367 1.977) 3.761 11.446 ( -1.888 -1.827 7.651) 8.089 11.718 ( -1.789 5.515 -4.023) 7.057 11.784 ( 6.246 -7.843 -1.552) 10.146 11.899 ( -6.451 -7.143 5.410) 11.041 11.985 ( -0.774 1.144 0.448) 1.452 12.357 ( -0.115 6.666 5.267) 8.496 12.581 ( -4.968 -1.081 -2.398) 5.622 12.628 ( -0.237 1.690 4.375) 4.696 12.847 ( 6.018 5.365 -0.459) 8.075 13.196 ( -0.426 -1.836 -6.633) 6.895 13.592 ( -1.980 -0.705 -7.976) 8.248 13.748 ( -10.001 1.219 6.096) 11.775 13.978 ( -0.986 -3.120 0.617) 3.330 14.201 ( 6.681 1.998 1.345) 7.102 14.317 ( 6.164 -0.615 0.662) 6.230 14.899 ( -5.816 -7.576 4.910) 10.739 15.323 ( 6.498 -9.426 -2.490) 11.716 16.907 ( -5.997 14.209 4.568) 16.085 17.585 ( 2.552 5.907 -4.122) 7.642 18.107 ( 1.078 -1.494 2.264) 2.919 18.534 ( 1.952 0.299 -3.392) 3.925 20.853 ( -2.252 0.187 3.320) 4.016 21.338 ( 2.658 1.710 -4.246) 5.293 21.594 ( 0.778 -0.722 4.255) 4.385 21.737 ( -2.085 -0.020 -1.695) 2.687 22.025 ( -2.667 2.671 -4.955) 6.229 22.184 ( -2.870 -3.959 -4.461) 6.619 22.972 ( 1.158 -1.078 4.804) 5.057 23.316 ( 6.617 -6.315 4.585) 10.232 23.644 ( -0.981 -5.793 1.051) 5.968 23.657 ( -0.359 -4.053 2.358) 4.703 23.809 ( 1.523 1.661 0.498) 2.309 23.859 ( 0.975 1.089 -1.787) 2.309 24.035 ( -1.801 4.848 -0.511) 5.197 24.139 ( 1.234 -0.372 0.548) 1.401 24.300 ( 0.531 -0.467 1.487) 1.647 24.460 ( -4.010 10.378 -4.827) 12.128 ======================= Grid point 120 (55/140) ======================= q-point: (-0.11 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -2.226 8.903 11.146) 14.438 1.902 ( 1.078 11.185 3.558) 11.787 2.090 ( 0.158 2.720 -6.325) 6.887 2.146 ( -1.258 3.163 8.378) 9.043 2.374 ( 0.004 -1.453 4.464) 4.695 2.420 ( -3.530 2.446 0.038) 4.294 2.629 ( 6.419 -0.651 -0.936) 6.520 2.711 ( 3.448 -7.853 -2.547) 8.947 2.789 ( -4.848 1.555 1.479) 5.302 2.908 ( 6.545 1.031 -6.762) 9.468 2.991 ( 1.433 -0.799 0.252) 1.660 3.086 ( -2.457 0.234 -1.962) 3.153 3.145 ( -2.863 5.172 3.264) 6.753 3.173 ( 2.437 -4.728 -1.312) 5.478 3.462 ( 0.236 2.439 0.011) 2.451 3.552 ( -6.877 4.018 0.998) 8.027 3.584 ( 7.728 3.399 -2.542) 8.817 3.815 ( -0.064 -1.356 -3.300) 3.568 3.886 ( -2.476 5.340 5.625) 8.142 4.000 ( -0.519 0.459 -2.415) 2.512 4.146 ( -4.059 0.207 -2.863) 4.971 4.215 ( 1.082 3.534 -4.472) 5.801 4.394 ( 2.930 -3.837 0.005) 4.828 4.613 ( -3.543 -3.197 3.716) 6.048 4.815 ( 6.000 2.280 1.587) 6.611 4.910 ( -4.853 -1.920 0.057) 5.220 5.046 ( 5.731 0.369 -4.380) 7.223 5.180 ( -4.477 0.655 5.131) 6.841 5.227 ( -5.759 -0.396 2.205) 6.179 5.319 ( 1.067 -0.628 4.411) 4.582 5.463 ( 1.194 5.748 1.218) 5.995 5.565 ( -1.442 -1.212 -4.506) 4.884 5.695 ( -1.307 -7.140 4.608) 8.598 5.787 ( 4.776 -0.376 -4.396) 6.502 5.932 ( -2.698 1.586 -0.848) 3.242 6.244 ( -0.378 0.327 0.552) 0.744 6.318 ( 1.053 1.803 -1.669) 2.673 6.548 ( 6.425 -0.436 4.910) 8.098 6.710 ( -0.558 -2.456 -8.430) 8.798 6.905 ( -3.848 -1.087 -3.408) 5.254 7.654 ( 0.536 -2.449 0.965) 2.687 7.688 ( -1.382 1.267 -0.715) 2.006 7.755 ( -2.638 -4.077 -1.050) 4.968 7.841 ( 1.064 0.067 2.468) 2.689 8.119 ( 0.602 2.045 -1.608) 2.670 8.263 ( 3.150 -3.436 1.985) 5.066 8.393 ( 1.793 -2.103 4.336) 5.142 8.484 ( -1.853 -0.828 -0.835) 2.195 8.883 ( -9.757 -2.196 5.153) 11.251 9.378 ( 6.229 -3.932 4.875) 8.834 9.453 ( 0.597 3.214 2.448) 4.084 9.632 ( -2.829 4.346 -1.013) 5.284 9.733 ( -3.518 1.873 -0.754) 4.057 10.524 ( 3.933 -1.273 -14.658) 15.230 10.702 ( 6.755 0.898 4.410) 8.117 10.901 ( 0.118 6.065 -2.531) 6.573 11.078 ( 0.966 -3.510 -4.529) 5.811 11.146 ( 1.094 -0.380 -1.391) 1.810 11.231 ( 1.654 0.672 -2.040) 2.711 11.456 ( -0.441 5.146 5.946) 7.876 11.629 ( -3.276 -0.917 -3.966) 5.225 11.884 ( -3.766 2.717 3.473) 5.799 11.974 ( 3.099 -6.084 -1.205) 6.934 12.040 ( -0.173 -7.298 0.525) 7.319 12.276 ( -3.935 4.867 7.183) 9.527 12.546 ( -3.679 -0.994 0.636) 3.863 12.664 ( -0.493 -1.664 3.500) 3.907 12.898 ( 9.923 -3.892 3.013) 11.077 13.187 ( -2.971 -2.312 -6.255) 7.301 13.579 ( -2.163 -3.559 -6.366) 7.607 13.662 ( -11.703 1.653 6.106) 13.303 13.983 ( -3.838 -0.040 -0.259) 3.846 14.214 ( 8.237 3.757 -0.698) 9.080 14.371 ( 7.006 0.946 -0.245) 7.074 14.949 ( -10.431 -3.370 3.636) 11.549 15.502 ( 8.765 -5.138 -2.431) 10.447 16.693 ( -5.399 7.212 3.990) 9.853 17.515 ( 4.443 2.924 -4.495) 6.964 18.131 ( 0.909 0.133 -1.280) 1.576 18.519 ( 2.367 1.423 -3.614) 4.549 20.869 ( -2.467 -1.824 5.182) 6.023 21.327 ( 3.198 0.010 -3.258) 4.565 21.625 ( 0.543 -0.060 3.041) 3.090 21.694 ( -1.858 1.887 -2.804) 3.857 21.985 ( 0.534 -0.214 3.512) 3.559 22.221 ( -3.844 -4.913 -4.316) 7.586 22.995 ( -0.031 1.040 3.527) 3.677 23.420 ( 1.200 0.916 -2.173) 2.646 23.669 ( -3.284 1.243 -0.423) 3.537 23.693 ( -2.309 0.949 1.101) 2.729 23.815 ( 2.380 -1.694 -1.462) 3.267 23.880 ( 5.468 -2.164 1.906) 6.182 23.955 ( 0.359 2.134 2.055) 2.984 24.150 ( 1.291 1.256 -1.448) 2.311 24.290 ( -3.176 2.579 -1.423) 4.332 24.329 ( 1.130 -0.822 0.279) 1.425 ======================= Grid point 125 (56/140) ======================= q-point: (-0.56 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 6.319 0.000 -17.817) 18.905 1.460 ( -2.195 -0.000 -7.559) 7.871 1.633 ( 1.984 0.000 -7.430) 7.690 1.860 ( -10.028 -0.000 13.985) 17.209 2.073 ( 17.555 0.000 7.314) 19.018 2.112 ( 7.484 0.000 -0.540) 7.503 2.249 ( -17.784 -0.000 -2.387) 17.944 2.408 ( -7.194 -0.000 2.089) 7.491 2.591 ( -0.933 -0.000 -6.069) 6.141 2.687 ( -0.478 -0.000 2.163) 2.216 2.806 ( 1.225 0.000 4.638) 4.798 2.983 ( 1.368 0.000 -11.864) 11.942 3.112 ( 4.266 0.000 -0.818) 4.344 3.275 ( -2.723 -0.000 3.009) 4.059 3.384 ( -0.168 -0.000 -1.905) 1.913 3.563 ( -6.606 -0.000 0.035) 6.607 3.578 ( 3.143 0.000 15.327) 15.646 3.695 ( -0.059 -0.000 -1.364) 1.365 3.799 ( -0.293 -0.000 0.331) 0.442 3.904 ( 6.776 0.000 -5.793) 8.915 4.089 ( 5.663 0.000 -12.081) 13.342 4.154 ( -4.700 -0.000 -1.403) 4.905 4.441 ( -8.632 -0.000 4.026) 9.525 4.509 ( 0.202 0.000 9.247) 9.249 4.755 ( -1.459 -0.000 -2.787) 3.146 4.948 ( 3.274 0.000 -6.968) 7.699 4.984 ( -0.061 -0.000 2.828) 2.829 5.274 ( 2.091 0.000 1.448) 2.543 5.375 ( 5.701 0.000 0.968) 5.782 5.416 ( -0.108 -0.000 7.681) 7.682 5.547 ( -2.616 -0.000 7.003) 7.476 5.653 ( -2.675 -0.000 -2.739) 3.829 5.825 ( -0.213 -0.000 0.443) 0.492 6.066 ( -1.674 -0.000 -3.927) 4.269 6.139 ( 3.528 0.000 -0.939) 3.651 6.203 ( 1.343 0.000 -0.891) 1.612 6.286 ( -9.000 -0.000 2.338) 9.299 6.433 ( 6.015 0.000 2.936) 6.694 6.629 ( 0.286 0.000 -3.005) 3.019 7.320 ( 4.346 0.000 -9.058) 10.047 7.715 ( -0.936 -0.000 4.255) 4.357 7.867 ( 3.870 0.000 1.847) 4.288 7.879 ( 6.072 0.000 -0.707) 6.113 8.025 ( -7.079 -0.000 0.644) 7.108 8.131 ( 1.285 0.000 -1.367) 1.876 8.175 ( 6.952 0.000 -5.172) 8.665 8.241 ( -2.693 -0.000 1.609) 3.137 8.397 ( -7.267 -0.000 5.850) 9.329 8.445 ( -5.846 -0.000 5.025) 7.709 9.032 ( -3.091 -0.000 -3.002) 4.308 9.383 ( -3.113 -0.000 -10.234) 10.696 9.820 ( 0.308 0.000 -14.027) 14.030 9.881 ( -1.612 -0.000 11.859) 11.968 10.383 ( 5.608 0.000 1.122) 5.719 10.640 ( -8.393 -0.000 3.462) 9.079 10.661 ( -0.569 -0.000 -0.835) 1.010 10.881 ( 4.709 0.000 -1.847) 5.059 10.924 ( -1.679 -0.000 -0.139) 1.684 11.014 ( 4.490 0.000 -4.966) 6.695 11.555 ( -3.312 -0.000 10.472) 10.983 11.578 ( -3.767 -0.000 -8.359) 9.168 11.776 ( 1.069 0.000 6.036) 6.130 11.993 ( 0.970 0.000 1.858) 2.096 12.153 ( 0.574 0.000 4.444) 4.481 12.715 ( -0.870 -0.000 -5.009) 5.084 12.965 ( 1.856 0.000 0.791) 2.018 13.040 ( -0.852 -0.000 6.095) 6.154 13.073 ( 3.188 0.000 -7.696) 8.331 13.396 ( 3.577 0.000 -7.814) 8.594 13.458 ( -5.992 -0.000 7.379) 9.506 13.643 ( 0.519 0.000 -2.398) 2.454 13.956 ( 4.013 0.000 -9.766) 10.559 14.186 ( 11.726 0.000 -0.325) 11.730 14.273 ( -3.996 -0.000 4.395) 5.940 14.436 ( -5.207 -0.000 2.533) 5.791 14.439 ( -13.239 -0.000 2.245) 13.428 17.764 ( 13.329 0.000 2.194) 13.508 17.935 ( -1.768 -0.000 5.868) 6.128 18.005 ( -0.419 -0.000 3.749) 3.773 18.478 ( 2.753 0.000 -2.877) 3.982 20.942 ( -0.900 -0.000 -0.086) 0.904 21.388 ( 3.602 0.000 -2.481) 4.374 21.659 ( -2.587 -0.000 1.197) 2.851 21.734 ( -3.593 -0.000 -0.619) 3.646 22.049 ( -3.005 -0.000 -11.355) 11.746 22.476 ( -8.658 -0.000 -12.114) 14.890 22.773 ( 0.956 0.000 11.772) 11.810 22.963 ( 4.803 0.000 6.737) 8.274 23.088 ( -1.231 -0.000 5.629) 5.762 23.241 ( 1.688 0.000 1.953) 2.582 23.885 ( 0.110 0.000 0.862) 0.869 23.928 ( -2.308 -0.000 -5.310) 5.789 24.060 ( 1.772 0.000 5.017) 5.320 24.105 ( 1.308 0.000 -1.451) 1.953 24.264 ( 0.518 0.000 4.727) 4.756 25.290 ( 4.726 0.000 -6.718) 8.214 ======================= Grid point 126 (57/140) ======================= q-point: (-0.44 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.236 ( 4.595 -16.813 -13.203) 21.865 1.605 ( 0.188 -19.772 -8.860) 21.667 1.693 ( 4.116 -6.583 -4.337) 8.893 1.875 ( -6.562 -3.710 8.873) 11.643 2.080 ( -17.917 0.404 -1.437) 17.979 2.188 ( 0.676 -3.949 -0.194) 4.011 2.246 ( 7.750 -2.394 1.599) 8.267 2.416 ( -0.794 -4.025 1.825) 4.490 2.535 ( -0.208 -0.659 -1.539) 1.687 2.739 ( 0.940 -3.354 -4.214) 5.467 2.894 ( 2.409 -3.250 9.280) 10.124 2.905 ( 0.498 0.143 -9.223) 9.238 3.083 ( 0.218 3.794 -3.137) 4.927 3.291 ( 1.386 -0.273 5.362) 5.545 3.435 ( -2.090 -4.656 -2.598) 5.726 3.509 ( -4.551 0.023 -0.852) 4.630 3.546 ( 1.479 9.500 3.097) 10.101 3.661 ( -0.238 -0.852 8.113) 8.161 3.870 ( -0.106 -1.081 -0.703) 1.294 3.951 ( 0.144 -6.902 -6.626) 9.569 4.118 ( -3.973 -2.015 -3.431) 5.623 4.176 ( 7.393 -7.967 -6.982) 12.918 4.404 ( -6.268 -0.835 3.462) 7.209 4.531 ( -1.698 0.969 4.210) 4.642 4.736 ( 2.742 1.701 -1.142) 3.423 4.938 ( 1.959 0.783 -4.374) 4.856 4.999 ( 2.926 2.145 3.474) 5.023 5.271 ( 2.013 8.512 2.667) 9.144 5.276 ( -1.165 1.833 2.608) 3.393 5.495 ( -3.494 1.504 4.004) 5.523 5.533 ( -0.693 1.937 7.965) 8.226 5.663 ( 2.710 -3.841 -2.055) 5.130 5.843 ( -0.339 -0.874 0.234) 0.966 5.966 ( 3.417 6.570 -3.868) 8.355 6.168 ( -2.860 1.100 0.181) 3.069 6.182 ( -4.152 3.118 0.130) 5.194 6.252 ( 3.119 -3.378 1.604) 4.870 6.483 ( 1.843 0.518 3.404) 3.905 6.633 ( 0.698 -1.457 -2.846) 3.272 7.267 ( 1.929 4.869 -8.303) 9.816 7.654 ( -3.055 5.823 3.102) 7.271 7.894 ( 1.835 -0.573 2.660) 3.282 7.920 ( 2.598 1.995 -1.490) 3.599 8.035 ( -2.798 -6.385 0.886) 7.027 8.149 ( -1.008 -2.383 -2.150) 3.364 8.197 ( 3.475 2.365 -1.105) 4.346 8.252 ( 2.205 -0.077 0.732) 2.325 8.366 ( -3.972 3.346 5.700) 7.711 8.469 ( 0.663 -6.227 6.966) 9.367 9.028 ( -3.341 -4.400 -5.464) 7.770 9.331 ( -1.375 -2.707 -11.460) 11.856 9.855 ( 0.797 -7.934 -12.414) 14.755 9.899 ( -1.666 -0.580 6.483) 6.719 10.375 ( 0.032 3.705 -0.499) 3.738 10.591 ( -0.725 1.550 3.304) 3.721 10.710 ( -2.129 -5.576 -0.103) 5.969 10.916 ( -0.912 -1.434 -0.388) 1.743 10.952 ( 4.084 -4.066 0.099) 5.764 11.036 ( 5.241 -0.717 -3.961) 6.609 11.457 ( -9.078 0.772 -8.851) 12.702 11.606 ( -3.804 -2.622 9.400) 10.474 11.845 ( 7.628 1.678 7.266) 10.668 12.008 ( 0.357 0.149 2.200) 2.234 12.107 ( -2.745 6.759 4.826) 8.747 12.658 ( -2.097 2.030 -6.919) 7.510 12.838 ( 1.863 10.705 -2.090) 11.065 12.999 ( -0.688 7.395 5.989) 9.541 13.107 ( -1.565 -3.281 -7.067) 7.947 13.320 ( -2.370 5.525 -5.203) 7.951 13.543 ( -3.451 -5.296 2.204) 6.694 13.623 ( 8.942 0.692 2.139) 9.220 13.930 ( 3.963 2.075 -8.253) 9.387 14.211 ( 1.518 3.655 1.423) 4.206 14.263 ( -0.793 0.292 3.511) 3.611 14.396 ( -1.864 -8.501 3.676) 9.447 14.631 ( -2.477 -16.095 -0.260) 16.287 17.751 ( 5.423 13.094 6.209) 15.473 17.915 ( -1.780 3.262 3.908) 5.393 18.021 ( -0.108 -0.512 4.425) 4.456 18.491 ( 2.049 -0.934 -2.819) 3.608 20.926 ( -0.899 1.121 0.114) 1.441 21.407 ( 3.688 -0.511 -3.001) 4.782 21.611 ( -3.112 3.001 0.520) 4.354 21.721 ( -2.090 -1.222 -1.152) 2.681 21.982 ( -2.447 -1.282 -10.698) 11.049 22.359 ( -9.487 -1.276 -15.528) 18.241 22.856 ( 2.925 -0.638 7.883) 8.432 22.962 ( 3.774 1.526 12.127) 12.793 23.223 ( -1.103 -8.553 2.999) 9.130 23.314 ( 2.832 -4.809 5.713) 7.987 23.877 ( -0.195 0.804 -1.170) 1.433 23.894 ( -1.358 -0.519 -3.901) 4.163 24.079 ( 0.846 1.289 2.582) 3.008 24.124 ( 0.736 -1.027 1.658) 2.085 24.294 ( 0.788 0.033 5.384) 5.442 25.207 ( 2.897 9.472 -7.131) 12.205 ======================= Grid point 127 (58/140) ======================= q-point: (-0.33 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( -0.193 -19.207 -6.807) 20.378 1.781 ( -6.716 -1.363 2.469) 7.284 1.881 ( 0.839 -11.882 -3.794) 12.501 1.938 ( -4.179 -7.575 -3.725) 9.419 2.020 ( -7.664 -12.333 -3.580) 14.955 2.253 ( -4.091 -4.782 -3.396) 7.151 2.317 ( 0.565 -5.675 1.618) 5.928 2.527 ( 6.646 -5.265 1.060) 8.545 2.656 ( 1.559 -9.632 3.253) 10.285 2.729 ( 0.137 -1.182 -7.798) 7.888 2.895 ( 4.246 1.006 -5.616) 7.112 2.983 ( 1.415 1.264 -3.126) 3.657 3.080 ( 2.686 -4.520 11.581) 12.719 3.301 ( 4.362 7.311 2.143) 8.779 3.396 ( 0.022 -0.199 2.335) 2.344 3.510 ( -3.076 -3.993 0.478) 5.063 3.546 ( -5.986 -2.952 4.485) 8.041 3.712 ( 1.608 -4.732 -2.066) 5.408 3.879 ( -5.465 -4.241 -3.047) 7.559 4.010 ( 0.276 -1.774 -3.793) 4.197 4.098 ( -7.169 -2.374 -1.544) 7.708 4.312 ( 6.686 -1.791 -5.084) 8.589 4.417 ( -0.693 -1.929 3.116) 3.730 4.500 ( -2.095 0.918 -1.355) 2.659 4.750 ( 4.902 -0.694 2.296) 5.458 4.894 ( -0.125 2.512 -4.764) 5.387 4.996 ( 6.878 3.566 2.993) 8.306 5.197 ( 0.603 2.689 3.598) 4.532 5.250 ( -3.958 1.077 5.133) 6.571 5.388 ( -2.989 5.722 -0.311) 6.463 5.578 ( 1.596 0.922 9.096) 9.281 5.673 ( -6.592 0.962 -2.747) 7.206 5.818 ( 4.600 4.679 -0.071) 6.562 5.935 ( 3.364 1.393 -2.817) 4.604 6.070 ( -4.665 1.473 -1.035) 5.000 6.139 ( -1.323 2.058 4.041) 4.724 6.389 ( 8.874 -4.395 3.320) 10.444 6.476 ( -2.091 1.390 2.025) 3.226 6.654 ( 1.964 -1.322 -2.735) 3.617 7.104 ( -4.481 7.581 -9.060) 12.635 7.572 ( -0.865 3.365 4.542) 5.719 7.852 ( -0.084 5.208 -0.934) 5.292 7.926 ( -1.094 0.150 1.797) 2.110 8.074 ( -1.746 5.844 -1.058) 6.190 8.168 ( 0.654 -5.007 -0.229) 5.054 8.191 ( 4.479 0.762 -0.637) 4.588 8.280 ( 0.378 -0.681 4.152) 4.224 8.301 ( -0.307 2.179 3.638) 4.251 8.683 ( 1.840 -9.575 6.983) 11.992 9.073 ( 0.151 -5.858 -4.953) 7.673 9.347 ( -0.173 -5.634 -9.511) 11.056 9.840 ( -1.867 4.404 7.821) 9.168 10.008 ( -2.812 -8.957 -14.585) 17.345 10.298 ( 3.305 1.669 -5.424) 6.568 10.605 ( 2.377 -0.143 3.510) 4.241 10.801 ( -1.814 -7.109 -1.559) 7.501 10.966 ( -0.354 -5.369 0.414) 5.396 11.038 ( 5.907 -1.194 -4.114) 7.297 11.122 ( 3.304 -7.344 3.156) 8.650 11.357 ( -6.265 -0.837 -6.985) 9.420 11.675 ( -3.895 -3.655 9.138) 10.584 11.850 ( 1.291 6.485 4.075) 7.767 11.968 ( -1.676 8.460 4.143) 9.568 12.017 ( 0.713 0.396 2.420) 2.554 12.560 ( -4.150 2.330 -7.049) 8.505 12.663 ( 1.393 9.997 -1.421) 10.193 12.864 ( -1.409 9.743 4.803) 10.953 13.082 ( 1.202 2.817 -6.094) 6.820 13.185 ( -0.192 4.409 -5.252) 6.860 13.537 ( -4.292 -0.521 -0.489) 4.351 13.781 ( 2.708 -7.700 1.916) 8.384 13.865 ( 0.662 4.206 -2.915) 5.160 14.221 ( 4.357 -1.372 1.304) 4.751 14.277 ( 1.638 0.064 3.408) 3.782 14.575 ( -2.989 -11.008 4.013) 12.092 14.909 ( 6.354 -15.293 -1.359) 16.616 17.501 ( -4.748 19.005 5.788) 20.426 17.825 ( -2.093 7.262 2.243) 7.884 18.070 ( 3.376 -0.728 5.190) 6.234 18.511 ( 1.504 -1.285 -2.956) 3.557 20.893 ( -1.568 1.758 0.699) 2.457 21.419 ( 4.844 1.694 -5.374) 7.430 21.557 ( -3.099 0.058 3.020) 4.327 21.716 ( -2.834 -1.126 -2.049) 3.674 21.967 ( -0.139 -3.188 -7.874) 8.496 22.222 ( -7.313 1.531 -11.973) 14.113 22.914 ( 2.601 -0.819 6.332) 6.894 23.095 ( 4.229 -5.788 7.847) 10.628 23.374 ( -0.814 -9.156 3.731) 9.920 23.465 ( 2.666 -6.148 6.255) 9.167 23.856 ( -0.256 0.141 -2.881) 2.896 23.882 ( 0.238 0.128 -1.587) 1.610 24.065 ( -1.120 0.951 0.899) 1.723 24.150 ( 0.774 -0.220 2.035) 2.188 24.320 ( 1.061 0.706 4.919) 5.081 24.958 ( -1.223 16.152 -7.745) 17.954 ======================= Grid point 128 (59/140) ======================= q-point: (-0.22 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( -9.802 3.451 4.356) 11.268 1.829 ( -8.740 -12.994 -2.415) 15.845 2.054 ( 3.618 -10.061 3.909) 11.384 2.069 ( -9.693 -8.713 -13.646) 18.870 2.141 ( 2.331 -5.988 5.560) 8.497 2.336 ( 1.429 -9.773 -4.261) 10.757 2.441 ( -0.735 -6.521 1.724) 6.785 2.651 ( 4.495 -1.854 -2.549) 5.490 2.743 ( 4.895 -6.317 -5.765) 9.853 2.823 ( 3.615 3.736 -6.014) 7.949 2.895 ( 2.127 -11.779 2.923) 12.321 3.004 ( 2.485 0.807 -1.463) 2.995 3.176 ( -3.681 -0.655 7.449) 8.335 3.202 ( 6.994 7.815 3.665) 11.109 3.474 ( 3.323 -2.383 0.493) 4.119 3.544 ( -6.241 -4.187 -0.833) 7.561 3.583 ( -0.608 -3.017 5.380) 6.198 3.819 ( 3.285 -5.416 -1.616) 6.537 3.874 ( -3.092 -1.765 -9.887) 10.509 3.994 ( -7.862 -4.508 -2.201) 9.327 4.079 ( -7.734 -0.725 3.215) 8.407 4.309 ( 3.283 2.497 -3.439) 5.371 4.430 ( 4.185 4.167 0.924) 5.978 4.491 ( -1.027 -2.055 1.405) 2.693 4.809 ( 0.207 -0.985 -1.836) 2.094 4.897 ( 3.673 -3.817 1.889) 5.624 5.011 ( 10.973 3.126 -0.150) 11.411 5.179 ( -7.221 -1.109 0.735) 7.343 5.263 ( -4.064 1.269 8.511) 9.516 5.284 ( 0.986 1.869 0.630) 2.205 5.547 ( -7.952 2.548 -3.506) 9.057 5.611 ( 1.178 2.001 8.264) 8.584 5.745 ( 0.231 6.069 -3.526) 7.023 5.871 ( 1.796 4.930 -2.005) 5.617 6.030 ( -0.568 3.173 0.070) 3.225 6.181 ( 0.861 -4.510 3.674) 5.880 6.422 ( -2.172 4.330 3.580) 6.023 6.530 ( 8.107 -2.145 1.946) 8.609 6.675 ( 2.208 -0.430 -3.368) 4.051 6.920 ( -5.691 3.093 -8.005) 10.298 7.576 ( 2.094 -0.468 4.123) 4.648 7.760 ( -0.234 4.688 -0.777) 4.757 7.853 ( -2.456 6.279 -1.213) 6.850 7.944 ( -3.339 5.181 1.744) 6.406 8.217 ( 6.145 1.832 1.543) 6.595 8.231 ( -2.956 2.889 1.756) 4.491 8.269 ( 3.639 -4.746 1.486) 6.162 8.389 ( 2.106 -4.401 1.400) 5.076 8.800 ( -5.625 -3.800 2.706) 7.308 9.189 ( 4.694 -6.359 0.507) 7.920 9.425 ( 1.431 -6.537 -3.364) 7.490 9.787 ( -1.572 4.140 6.065) 7.509 9.893 ( -11.922 6.538 -6.184) 14.937 10.384 ( 12.221 -6.483 -14.638) 20.141 10.658 ( 3.396 -1.782 2.240) 4.442 10.891 ( -2.010 -6.344 -2.606) 7.147 11.051 ( -0.341 -3.659 -1.928) 4.150 11.093 ( 8.314 -1.699 -3.344) 9.121 11.251 ( -2.641 -1.497 2.802) 4.132 11.377 ( 0.543 -7.360 -0.408) 7.391 11.705 ( -3.052 0.437 0.649) 3.151 11.774 ( -5.009 -0.159 5.964) 7.790 11.859 ( 0.256 5.061 4.104) 6.521 12.023 ( 2.374 1.867 0.951) 3.166 12.468 ( -5.206 2.518 0.072) 5.784 12.534 ( 0.790 4.232 -4.300) 6.085 12.728 ( -1.353 7.518 5.322) 9.309 13.003 ( 7.341 6.560 -1.483) 9.956 13.126 ( -2.690 -0.887 -7.624) 8.133 13.496 ( -5.625 -0.540 -3.825) 6.824 13.781 ( -3.595 4.160 1.890) 5.814 13.898 ( -1.534 -5.072 0.274) 5.306 14.290 ( 7.360 0.661 2.030) 7.664 14.336 ( 4.900 -2.696 1.486) 5.787 14.731 ( -5.686 -9.069 3.537) 11.274 15.209 ( 12.116 -12.251 -0.874) 17.253 17.143 ( -10.509 18.639 5.007) 21.976 17.687 ( -2.056 7.053 -0.743) 7.384 18.129 ( 4.209 0.090 3.978) 5.792 18.526 ( 1.356 -0.905 -3.222) 3.611 20.860 ( -2.072 1.089 2.178) 3.197 21.374 ( 2.786 2.847 -5.579) 6.855 21.595 ( 0.360 -2.251 4.531) 5.072 21.699 ( -3.259 -1.116 -2.439) 4.221 21.979 ( -1.391 -1.555 -6.115) 6.461 22.125 ( -1.199 -0.177 -5.101) 5.243 22.978 ( 0.610 -1.654 4.945) 5.250 23.263 ( 4.425 -7.102 2.487) 8.729 23.539 ( 0.278 -7.653 3.865) 8.579 23.600 ( 1.239 -4.705 4.863) 6.879 23.838 ( 0.755 0.852 -2.746) 2.973 23.880 ( 1.635 0.214 -0.295) 1.675 24.040 ( -3.007 0.512 -0.551) 3.100 24.163 ( 1.517 0.564 1.717) 2.360 24.331 ( 1.067 1.445 3.701) 4.114 24.614 ( -5.757 15.851 -7.467) 18.443 ======================= Grid point 129 (60/140) ======================= q-point: (-0.11 -0.56 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -7.132 2.390 9.340) 11.992 1.951 ( -5.290 -7.108 -3.884) 9.675 2.023 ( -3.643 -2.068 -4.283) 5.991 2.233 ( 3.707 -1.979 4.328) 6.032 2.272 ( -1.576 -5.929 6.766) 9.134 2.442 ( -2.270 -2.351 2.189) 3.933 2.564 ( 3.630 -7.453 -5.160) 9.765 2.667 ( 1.393 -2.154 -4.353) 5.053 2.763 ( 0.335 0.824 -4.893) 4.973 2.910 ( 4.615 -5.320 -3.662) 7.938 2.965 ( 2.911 2.954 -0.748) 4.214 3.072 ( 2.296 -3.833 -0.920) 4.561 3.136 ( -0.693 0.787 1.350) 1.710 3.215 ( 4.973 1.148 4.418) 6.750 3.447 ( -6.357 1.450 -0.433) 6.535 3.542 ( -6.619 1.323 0.687) 6.785 3.704 ( 13.820 -4.502 -0.362) 14.539 3.806 ( 1.906 1.698 -3.113) 4.025 3.934 ( -1.616 -2.187 1.392) 3.055 4.002 ( -3.472 3.066 0.720) 4.687 4.042 ( -9.565 -7.141 2.227) 12.142 4.256 ( 1.679 3.206 -6.752) 7.660 4.399 ( 3.471 2.334 0.440) 4.206 4.541 ( -0.969 -2.480 3.542) 4.431 4.820 ( -2.321 -2.904 -4.049) 5.497 4.959 ( 3.982 4.129 7.035) 9.078 5.059 ( 5.007 -0.824 -4.065) 6.502 5.154 ( -2.969 -2.685 -0.777) 4.078 5.190 ( -6.584 1.925 4.968) 8.470 5.348 ( 1.733 -1.128 6.196) 6.532 5.469 ( -6.135 -0.931 -5.143) 8.059 5.610 ( 0.983 5.920 -1.988) 6.321 5.635 ( 1.009 -0.246 5.403) 5.502 5.816 ( 2.434 2.542 -2.261) 4.183 5.963 ( -2.298 3.564 2.366) 4.856 6.255 ( 0.034 -0.981 0.218) 1.005 6.344 ( -0.948 3.083 -0.267) 3.236 6.593 ( 2.605 -0.064 -2.922) 3.915 6.679 ( 4.089 -0.094 1.519) 4.363 6.855 ( -0.903 -0.310 -3.602) 3.726 7.634 ( 3.233 -1.734 1.577) 3.993 7.701 ( -1.195 1.008 0.171) 1.573 7.725 ( -2.805 4.811 -1.878) 5.877 7.876 ( -1.707 1.964 2.500) 3.608 8.158 ( 0.063 3.745 -1.789) 4.151 8.256 ( 2.192 -1.175 2.415) 3.467 8.374 ( 0.980 -3.481 2.245) 4.256 8.450 ( 0.373 -1.914 -0.755) 2.091 8.807 ( -5.701 -1.852 3.456) 6.920 9.344 ( 5.089 -6.831 3.500) 9.209 9.519 ( 0.588 -0.496 3.442) 3.526 9.648 ( -9.915 5.010 -5.257) 12.290 9.743 ( -1.101 2.913 1.947) 3.673 10.485 ( 11.093 -2.295 -12.181) 16.634 10.731 ( 3.044 -2.693 1.172) 4.230 10.941 ( -3.883 -2.688 -1.573) 4.978 11.057 ( 7.516 3.025 -8.808) 11.967 11.140 ( -0.140 -0.576 1.008) 1.169 11.248 ( 0.166 0.033 1.844) 1.852 11.454 ( -4.549 -4.944 1.844) 6.967 11.642 ( -2.361 7.791 -0.683) 8.169 11.844 ( 1.819 -9.584 -1.522) 9.874 11.897 ( -1.255 -3.599 7.163) 8.114 11.997 ( 2.647 2.550 -0.871) 3.777 12.385 ( -3.644 5.312 6.128) 8.891 12.493 ( -2.721 -1.279 -2.496) 3.908 12.665 ( -0.657 1.567 5.096) 5.372 12.992 ( 11.375 2.726 1.919) 11.854 13.083 ( -4.776 -2.186 -8.842) 10.284 13.451 ( -5.831 -1.675 -3.923) 7.225 13.697 ( -3.537 3.625 3.332) 6.063 13.938 ( -2.665 -2.033 -0.834) 3.455 14.330 ( 7.482 2.259 0.630) 7.841 14.410 ( 3.080 -0.994 0.465) 3.269 14.818 ( -6.868 -5.272 2.422) 8.991 15.471 ( 11.686 -7.537 -0.098) 13.906 16.813 ( -10.453 12.231 4.012) 16.582 17.575 ( 0.507 4.016 -3.081) 5.088 18.156 ( 2.416 1.423 1.349) 3.111 18.530 ( 1.753 -0.060 -3.441) 3.863 20.853 ( -2.412 -0.545 4.060) 4.754 21.337 ( 2.528 0.851 -4.283) 5.045 21.628 ( -2.221 -0.271 -0.045) 2.238 21.695 ( 0.694 -0.284 0.724) 1.042 21.969 ( -0.949 -2.272 -0.155) 2.467 22.145 ( 2.162 -1.857 -1.800) 3.371 23.013 ( -1.439 -0.302 3.394) 3.699 23.395 ( 1.974 -3.982 -2.975) 5.349 23.646 ( -0.232 -3.099 2.141) 3.774 23.672 ( -0.669 -1.429 1.961) 2.517 23.813 ( 0.640 0.728 -2.754) 2.920 23.904 ( 3.621 -0.523 1.506) 3.957 23.988 ( -3.321 1.954 -0.603) 3.900 24.178 ( 2.585 0.774 1.141) 2.930 24.315 ( -2.447 4.311 0.635) 4.997 24.351 ( -2.056 3.663 -2.118) 4.705 ======================= Grid point 135 (61/140) ======================= q-point: (-0.44 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.088 ( 10.369 0.000 -13.294) 16.860 1.332 ( -4.706 -0.000 -10.807) 11.787 1.673 ( 8.275 0.000 0.402) 8.284 1.824 ( -8.333 -0.000 5.710) 10.102 1.903 ( -23.184 -0.000 -0.041) 23.184 2.139 ( -1.317 -0.000 -3.862) 4.080 2.325 ( 6.737 0.000 -0.881) 6.794 2.370 ( 0.257 0.000 0.883) 0.920 2.550 ( 2.734 0.000 1.335) 3.043 2.730 ( 5.380 0.000 2.853) 6.090 2.806 ( -8.540 -0.000 -15.593) 17.778 2.933 ( 4.616 0.000 6.339) 7.842 3.080 ( -3.057 -0.000 -1.197) 3.283 3.276 ( -2.465 -0.000 3.499) 4.280 3.440 ( 5.676 0.000 0.765) 5.727 3.473 ( -2.692 -0.000 -2.487) 3.665 3.622 ( -5.960 -0.000 -1.247) 6.089 3.732 ( 0.072 0.000 -0.977) 0.980 3.820 ( 0.795 0.000 -0.287) 0.846 3.846 ( -2.957 -0.000 2.639) 3.963 4.053 ( -3.155 -0.000 -3.718) 4.876 4.151 ( 10.554 0.000 0.594) 10.570 4.378 ( -2.765 -0.000 2.603) 3.798 4.556 ( -0.420 -0.000 3.073) 3.101 4.772 ( 5.170 0.000 -2.376) 5.690 4.935 ( 0.674 0.000 -4.890) 4.936 5.072 ( 4.847 0.000 3.220) 5.819 5.279 ( -3.337 -0.000 1.627) 3.712 5.400 ( -3.948 -0.000 2.042) 4.445 5.452 ( -2.671 -0.000 3.470) 4.379 5.576 ( 1.507 0.000 1.768) 2.323 5.659 ( 0.646 0.000 7.230) 7.258 5.832 ( 0.384 0.000 -0.032) 0.386 6.050 ( 3.113 0.000 -4.483) 5.458 6.128 ( -6.078 -0.000 0.025) 6.078 6.190 ( -1.779 -0.000 -1.435) 2.286 6.245 ( 5.205 0.000 1.809) 5.511 6.533 ( 0.545 0.000 6.085) 6.109 6.613 ( 2.144 0.000 -3.216) 3.865 7.291 ( 2.786 0.000 -9.612) 10.008 7.693 ( -4.191 -0.000 1.317) 4.393 7.927 ( -3.580 -0.000 0.596) 3.629 7.931 ( -1.497 -0.000 3.868) 4.147 7.954 ( 3.030 0.000 -1.712) 3.480 8.102 ( 0.103 0.000 -3.077) 3.079 8.248 ( 0.682 0.000 5.065) 5.111 8.253 ( 7.513 0.000 -4.480) 8.747 8.421 ( -3.981 -0.000 5.867) 7.090 8.460 ( 4.474 0.000 7.589) 8.810 8.934 ( -2.304 -0.000 -6.095) 6.515 9.245 ( -0.220 -0.000 -12.166) 12.168 9.682 ( 2.258 0.000 -18.045) 18.185 9.959 ( -3.440 -0.000 12.100) 12.579 10.382 ( -5.128 -0.000 -0.036) 5.129 10.619 ( 0.705 0.000 1.497) 1.655 10.652 ( -0.065 -0.000 -0.365) 0.371 10.889 ( -1.739 -0.000 -1.049) 2.031 10.957 ( 5.568 0.000 1.200) 5.695 11.055 ( 5.900 0.000 -3.958) 7.105 11.328 ( -10.133 -0.000 -11.420) 15.267 11.623 ( -2.411 -0.000 13.097) 13.317 11.956 ( 8.141 0.000 5.863) 10.033 12.023 ( -0.487 -0.000 3.323) 3.358 12.173 ( -4.341 -0.000 6.944) 8.190 12.618 ( -3.206 -0.000 -8.983) 9.538 12.918 ( -5.586 -0.000 -0.815) 5.645 12.995 ( -2.592 -0.000 -10.437) 10.754 13.117 ( 1.500 0.000 8.324) 8.458 13.347 ( 0.598 0.000 -4.802) 4.839 13.465 ( 0.230 0.000 0.956) 0.983 13.762 ( 12.622 0.000 2.128) 12.800 13.924 ( 3.604 0.000 -9.925) 10.559 14.233 ( -5.001 -0.000 0.052) 5.001 14.271 ( -11.481 -0.000 3.929) 12.135 14.390 ( 14.424 0.000 -0.163) 14.425 14.434 ( 1.309 0.000 3.939) 4.150 17.882 ( -9.753 -0.000 2.178) 9.994 18.018 ( 11.096 0.000 13.057) 17.135 18.019 ( -3.117 -0.000 4.441) 5.426 18.483 ( 1.414 0.000 -2.618) 2.976 20.933 ( 0.014 0.000 -0.504) 0.504 21.408 ( 2.051 0.000 -2.221) 3.023 21.625 ( -2.323 -0.000 -0.821) 2.464 21.675 ( -1.921 -0.000 -3.941) 4.384 21.899 ( -2.948 -0.000 -9.693) 10.131 22.212 ( -6.508 -0.000 -13.811) 15.268 22.898 ( 2.022 0.000 7.914) 8.168 23.059 ( 0.699 0.000 0.386) 0.799 23.146 ( -1.199 -0.000 11.068) 11.133 23.338 ( 4.904 0.000 9.065) 10.306 23.837 ( -2.645 -0.000 -6.208) 6.748 23.887 ( 0.822 0.000 -2.416) 2.552 24.110 ( -1.382 -0.000 2.437) 2.802 24.137 ( 2.165 0.000 4.854) 5.315 24.330 ( 0.981 0.000 6.673) 6.745 25.280 ( 3.327 0.000 -7.954) 8.622 ======================= Grid point 136 (62/140) ======================= q-point: (-0.33 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.195 ( 2.701 -13.546 -8.621) 16.282 1.472 ( -3.723 -21.169 -12.859) 25.047 1.715 ( -23.554 -1.705 -3.350) 23.852 1.789 ( 1.991 -3.216 4.302) 5.728 1.863 ( 1.379 -6.572 4.308) 7.978 2.151 ( 0.103 -5.297 -1.413) 5.483 2.294 ( -4.024 3.210 -1.685) 5.416 2.435 ( 1.142 -6.250 -1.302) 6.486 2.613 ( 3.811 -0.713 -2.372) 4.545 2.649 ( -3.964 -4.108 -3.898) 6.913 2.888 ( 6.814 -5.780 -0.722) 8.965 2.966 ( -0.766 -0.253 -3.716) 3.803 3.112 ( 3.312 -2.127 8.025) 8.939 3.278 ( -5.208 -3.142 -0.651) 6.117 3.446 ( 2.535 2.854 -1.523) 4.110 3.463 ( 1.545 0.025 1.723) 2.314 3.563 ( -9.870 -3.774 -5.932) 12.118 3.637 ( 1.585 7.918 6.026) 10.076 3.808 ( -0.618 -0.582 -2.675) 2.807 3.959 ( 0.588 -5.560 4.473) 7.160 4.022 ( -2.803 -0.473 -2.684) 3.909 4.291 ( 7.981 -3.301 -0.366) 8.645 4.396 ( 1.688 -2.961 3.492) 4.879 4.543 ( 1.051 2.901 1.228) 3.321 4.794 ( 5.934 0.678 -1.606) 6.185 4.896 ( -1.368 1.184 -6.359) 6.612 5.090 ( 2.869 2.045 0.346) 3.540 5.244 ( -5.639 1.522 3.832) 6.985 5.311 ( -0.853 4.842 5.137) 7.110 5.460 ( -1.193 2.564 -0.572) 2.885 5.569 ( -2.014 0.546 -3.350) 3.946 5.688 ( -2.190 1.667 12.237) 12.542 5.865 ( 1.341 -2.583 0.262) 2.922 5.982 ( 1.875 4.160 -6.103) 7.621 6.069 ( -6.069 2.866 1.793) 6.947 6.165 ( -1.487 0.513 -1.188) 1.972 6.355 ( 8.354 -4.638 1.873) 9.737 6.542 ( 0.284 1.317 6.674) 6.808 6.641 ( 3.582 -1.470 -2.109) 4.410 7.165 ( -3.151 8.926 -12.304) 15.524 7.637 ( -1.983 3.174 3.950) 5.442 7.902 ( -4.765 0.033 2.849) 5.552 7.928 ( 1.064 1.805 -0.856) 2.264 8.027 ( 0.528 -7.712 -0.413) 7.741 8.113 ( 1.565 -0.724 -2.678) 3.185 8.249 ( 3.412 2.787 -0.859) 4.488 8.308 ( -0.743 0.446 4.834) 4.911 8.377 ( 1.283 2.545 1.466) 3.205 8.600 ( 3.598 -6.602 7.817) 10.846 8.959 ( 3.387 -5.714 -3.735) 7.621 9.221 ( 1.426 -3.186 -10.772) 11.324 9.724 ( 4.594 -11.091 -18.840) 22.340 9.956 ( -4.487 3.091 11.452) 12.682 10.314 ( -5.057 2.200 -1.497) 5.715 10.630 ( 1.454 -0.276 0.839) 1.702 10.686 ( -1.213 -4.156 -0.247) 4.337 10.890 ( -0.945 -2.519 -1.456) 3.059 11.041 ( 6.313 -3.145 0.335) 7.060 11.080 ( 3.833 -0.852 -1.577) 4.232 11.233 ( -5.981 -2.701 -9.800) 11.795 11.676 ( -2.171 -0.662 13.398) 13.589 11.976 ( -0.900 5.343 3.936) 6.697 12.037 ( -1.241 0.548 4.534) 4.733 12.117 ( -0.088 5.898 5.773) 8.254 12.524 ( -4.569 2.144 -9.554) 10.805 12.799 ( -2.983 7.239 -2.338) 8.171 12.950 ( -6.735 -1.309 -5.773) 8.967 13.101 ( 3.378 5.929 4.768) 8.324 13.274 ( 2.421 6.252 -5.837) 8.890 13.522 ( -0.125 -2.971 0.266) 2.986 13.771 ( 6.510 4.691 -0.145) 8.026 13.907 ( 1.977 2.077 -6.279) 6.903 14.198 ( -0.376 -3.085 2.370) 3.908 14.300 ( -5.152 -4.216 2.513) 7.116 14.424 ( 5.171 -3.344 2.420) 6.616 14.710 ( 11.454 -15.707 0.372) 19.443 17.726 ( -10.543 10.197 1.137) 14.711 17.940 ( -6.423 7.240 8.086) 12.612 18.154 ( 9.481 1.614 11.317) 14.852 18.487 ( 0.894 -0.811 -2.603) 2.869 20.915 ( -0.477 1.633 -0.359) 1.739 21.434 ( 3.799 -1.771 -3.162) 5.251 21.561 ( -3.201 3.001 -0.994) 4.498 21.651 ( -3.291 -1.322 -4.576) 5.790 21.877 ( -0.759 -3.814 -6.818) 7.849 22.122 ( -4.043 -0.628 -10.084) 10.883 22.946 ( 1.427 -0.203 3.559) 3.840 23.070 ( 0.642 -2.937 2.575) 3.958 23.259 ( -0.842 -6.686 10.295) 12.305 23.452 ( 4.827 -3.080 8.920) 10.600 23.800 ( -2.349 -1.645 -6.299) 6.921 23.879 ( 0.815 -0.199 -4.043) 4.129 24.093 ( -2.177 1.849 3.543) 4.551 24.174 ( 1.938 0.211 4.000) 4.450 24.367 ( 1.179 0.550 6.794) 6.917 25.158 ( 0.757 12.014 -9.013) 15.038 ======================= Grid point 137 (63/140) ======================= q-point: (-0.22 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -5.414 -19.153 -5.103) 20.547 1.553 ( -22.122 -1.587 2.779) 22.352 1.708 ( -6.557 -16.884 -13.342) 22.496 1.881 ( -1.955 -9.822 1.604) 10.142 2.077 ( 8.341 -8.225 4.804) 12.661 2.228 ( -2.651 -3.231 -1.312) 4.380 2.306 ( 1.202 -9.853 1.210) 9.999 2.552 ( 0.093 -6.807 -7.616) 10.215 2.663 ( 4.210 -8.161 -3.243) 9.739 2.770 ( 1.874 -6.577 3.911) 7.878 2.888 ( 2.210 4.768 -5.953) 7.941 3.017 ( 4.810 -3.227 -2.799) 6.433 3.194 ( 0.548 0.613 6.921) 6.970 3.336 ( -5.761 -6.496 -2.036) 8.918 3.394 ( 1.050 1.451 1.020) 2.061 3.529 ( 2.858 -3.804 5.452) 7.237 3.556 ( -6.677 -3.123 0.632) 7.398 3.579 ( 0.158 -0.598 -0.302) 0.688 3.817 ( 0.754 -0.807 -0.302) 1.145 3.959 ( -0.935 2.772 -2.897) 4.117 4.060 ( -2.268 -2.419 5.563) 6.477 4.326 ( 3.053 -0.200 -5.989) 6.725 4.467 ( 0.925 0.051 -2.924) 3.067 4.546 ( 6.782 1.377 5.637) 8.926 4.819 ( -0.950 2.433 -5.269) 5.881 4.861 ( 6.204 -3.410 0.616) 7.106 5.072 ( -2.338 -0.696 -2.461) 3.465 5.189 ( -1.636 4.510 6.119) 7.775 5.294 ( 0.351 0.582 6.969) 7.002 5.367 ( 0.199 6.699 0.094) 6.703 5.486 ( -8.576 1.284 -5.431) 10.232 5.689 ( -0.992 2.550 8.061) 8.512 5.833 ( -0.743 4.899 -2.460) 5.532 5.944 ( -0.459 3.639 0.084) 3.669 6.029 ( 1.725 -2.977 -5.124) 6.172 6.148 ( -4.180 -0.780 5.803) 7.194 6.443 ( 0.126 0.370 2.039) 2.077 6.608 ( 8.483 -0.211 3.666) 9.244 6.689 ( 4.999 -0.951 0.252) 5.095 6.908 ( -6.177 6.805 -11.544) 14.756 7.623 ( 1.504 1.151 5.955) 6.249 7.836 ( -2.862 4.231 0.931) 5.192 7.907 ( -0.223 2.368 -0.985) 2.574 8.029 ( -2.333 7.248 -1.938) 7.857 8.191 ( 1.584 -7.648 0.357) 7.819 8.232 ( -0.658 -0.833 1.890) 2.167 8.293 ( 2.055 2.601 0.249) 3.324 8.392 ( 3.208 -0.127 1.558) 3.568 8.722 ( -1.476 -3.604 3.558) 5.275 9.113 ( 5.904 -6.843 0.145) 9.039 9.282 ( 2.803 -7.786 -6.008) 10.226 9.825 ( -0.079 -2.355 -8.558) 8.876 9.899 ( -6.749 5.255 7.499) 11.375 10.307 ( 9.563 -6.108 -10.277) 15.309 10.659 ( 1.230 -1.328 0.866) 2.007 10.757 ( -2.906 -5.869 0.226) 6.553 10.942 ( -1.806 -5.211 -2.185) 5.932 11.112 ( 8.259 -2.625 -3.894) 9.501 11.189 ( 0.657 -5.357 2.135) 5.804 11.243 ( 1.582 -6.843 -5.448) 8.889 11.724 ( -2.239 0.957 9.231) 9.547 11.821 ( -8.884 7.822 6.610) 13.558 11.975 ( -3.827 5.931 5.108) 8.713 12.095 ( 5.766 2.967 0.343) 6.494 12.417 ( -4.878 0.756 -6.825) 8.423 12.636 ( -1.954 7.754 -2.664) 8.428 12.864 ( -4.378 5.012 2.143) 6.992 13.046 ( 1.298 2.656 -5.052) 5.854 13.170 ( 3.393 5.727 -1.465) 6.816 13.501 ( 1.594 4.312 -2.556) 5.260 13.791 ( -3.552 -2.850 2.313) 5.108 13.838 ( 0.796 2.088 -4.497) 5.022 14.301 ( 1.757 -4.414 3.636) 5.982 14.343 ( 1.356 -2.290 1.077) 2.871 14.574 ( 3.114 -8.074 1.347) 8.758 15.079 ( 14.738 -15.359 0.156) 21.287 17.395 ( -13.474 18.808 3.102) 23.343 17.777 ( -9.157 7.781 5.365) 13.160 18.223 ( 8.197 3.175 6.533) 10.953 18.498 ( 0.628 -1.349 -3.080) 3.421 20.878 ( -1.533 1.777 1.327) 2.696 21.420 ( 3.108 3.539 -7.707) 9.032 21.560 ( -1.909 -3.659 3.559) 5.450 21.637 ( -2.180 -2.109 -1.213) 3.267 21.901 ( -2.609 -2.907 -6.887) 7.918 22.099 ( 3.606 -1.459 -3.057) 4.948 22.975 ( -0.158 -1.091 3.077) 3.268 23.173 ( 1.593 -6.802 -0.460) 7.001 23.436 ( 0.582 -8.151 8.443) 11.750 23.577 ( 3.281 -3.344 6.935) 8.369 23.802 ( -0.465 -3.077 -5.228) 6.084 23.870 ( 0.330 -0.854 -4.665) 4.754 24.053 ( -2.613 2.637 3.433) 5.056 24.197 ( 2.033 0.760 2.945) 3.659 24.387 ( 0.961 1.659 5.457) 5.784 24.821 ( -6.149 18.891 -9.790) 22.148 ======================= Grid point 138 (64/140) ======================= q-point: (-0.11 -0.44 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.461 ( -16.635 -2.988 8.079) 18.732 1.661 ( -10.727 -16.256 -5.300) 20.185 1.851 ( -2.634 -11.183 -4.649) 12.394 2.106 ( 1.564 -13.280 2.068) 13.531 2.266 ( 5.287 -5.352 3.200) 8.176 2.317 ( -3.380 -8.113 2.187) 9.057 2.481 ( 5.275 -7.374 -2.034) 9.292 2.581 ( 0.342 -1.721 -7.039) 7.254 2.772 ( 3.901 2.428 -9.657) 10.694 2.882 ( 5.114 -5.982 1.842) 8.082 2.926 ( 0.376 -10.210 -0.924) 10.258 3.055 ( 3.372 1.314 0.999) 3.754 3.161 ( -3.650 3.511 2.513) 5.653 3.306 ( 0.580 1.906 -1.769) 2.664 3.435 ( -4.587 -1.853 1.053) 5.058 3.541 ( 4.476 5.545 4.701) 8.537 3.639 ( -11.759 -13.329 -5.476) 18.599 3.706 ( 6.395 -7.617 4.149) 10.776 3.837 ( 0.452 -0.695 -1.010) 1.307 3.948 ( 2.305 -3.012 5.819) 6.946 4.064 ( -1.414 2.674 3.690) 4.772 4.294 ( 3.342 3.113 -8.386) 9.549 4.458 ( 0.121 0.162 -1.583) 1.596 4.569 ( 3.491 2.691 3.103) 5.390 4.758 ( -1.129 0.072 -5.233) 5.354 4.993 ( 5.942 -4.111 1.964) 7.488 5.045 ( -8.571 -1.125 -0.975) 8.699 5.134 ( -0.071 2.846 3.165) 4.257 5.258 ( 0.917 6.609 2.500) 7.125 5.351 ( -1.716 -1.480 6.843) 7.209 5.395 ( -3.582 -1.124 -4.196) 5.630 5.651 ( -0.928 3.702 -0.203) 3.822 5.746 ( 2.214 4.855 0.739) 5.387 5.870 ( -2.415 3.488 0.223) 4.248 6.024 ( 1.163 2.872 0.209) 3.105 6.201 ( -2.066 -4.177 0.762) 4.722 6.401 ( -2.043 4.282 1.787) 5.070 6.574 ( -4.798 2.478 -6.430) 8.396 6.738 ( 7.316 -0.822 1.371) 7.489 6.862 ( 5.757 -0.108 0.372) 5.770 7.665 ( 4.558 0.185 4.055) 6.104 7.748 ( -1.348 4.277 0.248) 4.491 7.805 ( -1.178 7.645 -2.086) 8.011 7.900 ( -3.627 3.376 0.533) 4.984 8.221 ( -1.192 2.891 2.212) 3.831 8.262 ( -0.130 0.430 -1.714) 1.772 8.315 ( 0.705 -4.474 -0.679) 4.579 8.431 ( 2.535 -1.271 0.448) 2.871 8.769 ( -0.849 -1.945 3.455) 4.055 9.256 ( 2.441 -7.683 0.710) 8.092 9.447 ( 4.341 -8.801 -0.625) 9.833 9.675 ( -10.936 9.277 -2.942) 14.639 9.807 ( -2.891 3.805 4.848) 6.808 10.484 ( 16.311 -5.180 -10.565) 20.112 10.696 ( -0.196 -2.447 -1.244) 2.752 10.829 ( -3.528 -5.350 0.652) 6.442 11.007 ( -1.353 -5.465 -3.651) 6.710 11.200 ( 9.419 0.382 -4.175) 10.310 11.234 ( 0.088 -2.381 -0.514) 2.438 11.364 ( -1.405 -2.296 -2.097) 3.412 11.710 ( -0.007 -5.595 -0.283) 5.602 11.752 ( -3.456 4.401 9.261) 10.821 11.896 ( -1.838 1.810 6.855) 7.324 12.072 ( 3.348 3.756 -1.407) 5.224 12.378 ( -4.841 -2.369 0.593) 5.422 12.508 ( -1.015 4.762 -1.917) 5.232 12.760 ( -1.935 6.135 5.402) 8.401 12.974 ( -5.667 0.452 -7.627) 9.513 13.144 ( 10.572 3.158 0.692) 11.055 13.424 ( 0.361 3.357 -3.961) 5.205 13.740 ( -3.573 3.111 2.058) 5.165 13.872 ( 0.095 -3.599 -2.119) 4.178 14.369 ( -1.594 -2.750 1.807) 3.657 14.402 ( 1.809 -1.327 0.826) 2.391 14.720 ( 3.682 -5.173 0.769) 6.396 15.416 ( 13.481 -10.826 0.690) 17.304 16.981 ( -15.525 17.226 4.127) 23.554 17.623 ( -5.704 4.848 0.293) 7.492 18.233 ( 4.440 3.865 2.151) 6.268 18.511 ( 1.015 -1.349 -3.453) 3.844 20.854 ( -2.162 0.718 3.406) 4.098 21.357 ( 2.280 2.119 -5.590) 6.398 21.579 ( -4.086 -1.637 -1.873) 4.784 21.702 ( 2.545 -2.189 4.650) 5.735 21.893 ( -3.225 -3.742 -3.587) 6.105 22.171 ( 9.093 -0.300 1.579) 9.234 23.001 ( -1.919 -0.961 2.464) 3.268 23.298 ( 1.541 -6.918 -3.655) 7.975 23.582 ( -0.248 -5.524 3.025) 6.303 23.668 ( 1.856 -1.714 4.759) 5.388 23.812 ( 0.137 0.181 -4.229) 4.235 23.890 ( 0.842 -3.350 -4.026) 5.305 24.002 ( -2.575 2.818 3.254) 5.016 24.215 ( 2.663 0.388 1.892) 3.290 24.379 ( 0.141 2.167 2.726) 3.486 24.429 ( -8.983 13.509 -5.404) 17.099 ======================= Grid point 145 (65/140) ======================= q-point: (-0.33 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.082 ( -13.668 -0.000 -12.455) 18.492 1.173 ( 12.289 0.000 -6.343) 13.829 1.465 ( -26.908 -0.000 -6.231) 27.620 1.803 ( -4.786 -0.000 4.713) 6.717 1.862 ( 8.969 0.000 7.962) 11.994 2.085 ( 2.284 0.000 -5.061) 5.552 2.255 ( -16.872 -0.000 -4.327) 17.418 2.390 ( 2.657 0.000 -1.617) 3.111 2.460 ( -12.126 -0.000 -7.113) 14.058 2.655 ( 3.453 0.000 2.821) 4.459 2.888 ( 9.117 0.000 -0.015) 9.117 2.932 ( -0.967 -0.000 -1.454) 1.746 3.156 ( 5.381 0.000 6.530) 8.461 3.267 ( 0.015 0.000 -2.027) 2.027 3.416 ( -11.724 -0.000 -3.924) 12.363 3.431 ( 1.760 0.000 -4.241) 4.592 3.539 ( 4.474 0.000 3.307) 5.564 3.750 ( 7.547 0.000 -5.430) 9.297 3.827 ( 0.962 0.000 1.160) 1.507 3.899 ( -2.855 -0.000 10.175) 10.568 4.005 ( 0.461 0.000 -2.230) 2.277 4.364 ( 8.225 0.000 8.176) 11.598 4.378 ( -0.434 -0.000 1.736) 1.790 4.587 ( 3.552 0.000 0.509) 3.589 4.837 ( 6.191 0.000 -3.180) 6.960 4.849 ( -4.469 -0.000 -7.015) 8.318 5.110 ( -2.442 -0.000 -0.809) 2.573 5.221 ( -5.518 -0.000 1.787) 5.800 5.364 ( -2.114 -0.000 3.838) 4.382 5.460 ( 1.299 0.000 1.657) 2.106 5.590 ( 0.841 0.000 -3.274) 3.380 5.749 ( -3.283 -0.000 12.021) 12.461 5.827 ( -0.042 -0.000 -1.161) 1.162 6.002 ( -0.764 -0.000 -9.728) 9.758 6.047 ( -4.691 -0.000 4.080) 6.217 6.135 ( -2.970 -0.000 -5.047) 5.856 6.407 ( 10.005 0.000 3.757) 10.687 6.559 ( -4.669 -0.000 6.851) 8.290 6.657 ( 6.563 0.000 -0.830) 6.616 7.176 ( -2.563 -0.000 -17.230) 17.420 7.680 ( 0.345 0.000 5.141) 5.152 7.871 ( -7.086 -0.000 1.178) 7.184 7.910 ( 0.369 0.000 1.764) 1.802 7.975 ( 2.088 0.000 -2.736) 3.442 8.120 ( 3.472 0.000 -2.564) 4.316 8.274 ( 1.262 0.000 -4.671) 4.839 8.344 ( 3.070 0.000 8.045) 8.611 8.394 ( -5.258 -0.000 0.395) 5.272 8.605 ( 4.640 0.000 5.379) 7.104 8.938 ( 8.246 0.000 0.024) 8.246 9.176 ( 4.870 0.000 -7.730) 9.137 9.568 ( 5.416 0.000 -17.417) 18.240 9.995 ( -6.686 -0.000 11.355) 13.177 10.280 ( -7.295 -0.000 -0.641) 7.323 10.620 ( -1.212 -0.000 -1.700) 2.088 10.650 ( -0.759 -0.000 1.498) 1.679 10.854 ( -0.616 -0.000 -2.800) 2.867 11.060 ( 5.338 0.000 1.978) 5.693 11.112 ( -4.828 -0.000 -9.093) 10.295 11.114 ( 6.276 0.000 -3.197) 7.044 11.726 ( -1.424 -0.000 14.374) 14.444 12.031 ( -3.582 -0.000 4.160) 5.490 12.044 ( -5.424 -0.000 6.234) 8.263 12.195 ( 0.638 0.000 4.956) 4.996 12.468 ( -3.751 -0.000 -9.478) 10.193 12.817 ( -6.337 -0.000 -10.505) 12.268 12.839 ( -4.225 -0.000 1.271) 4.412 13.233 ( 3.442 0.000 7.933) 8.648 13.337 ( 5.150 0.000 -8.419) 9.869 13.475 ( 0.945 0.000 -0.229) 0.973 13.875 ( 3.093 0.000 -10.657) 11.096 13.956 ( 6.811 0.000 -1.470) 6.967 14.122 ( -6.500 -0.000 -4.441) 7.872 14.187 ( -2.092 -0.000 7.104) 7.406 14.527 ( 4.136 0.000 5.288) 6.714 14.627 ( 16.023 0.000 0.270) 16.026 17.708 ( -12.264 -0.000 -2.032) 12.432 17.986 ( -7.102 -0.000 5.189) 8.795 18.345 ( 9.698 0.000 18.535) 20.918 18.485 ( 1.952 0.000 2.216) 2.953 20.927 ( 0.132 0.000 -1.219) 1.226 21.415 ( 1.639 0.000 -1.874) 2.490 21.575 ( -2.365 -0.000 -1.460) 2.779 21.585 ( -2.204 -0.000 -8.088) 8.383 21.789 ( -2.729 -0.000 -4.323) 5.112 22.058 ( -1.278 -0.000 -6.472) 6.597 22.971 ( 1.309 0.000 2.693) 2.995 23.029 ( -2.079 -0.000 -1.964) 2.860 23.259 ( -0.581 -0.000 14.514) 14.525 23.511 ( 5.196 0.000 9.033) 10.421 23.729 ( -3.123 -0.000 -7.377) 8.010 23.854 ( 0.324 0.000 -6.651) 6.659 24.109 ( -3.007 -0.000 4.408) 5.336 24.215 ( 2.415 0.000 4.066) 4.729 24.418 ( 1.291 0.000 7.847) 7.953 25.245 ( 3.329 0.000 -10.207) 10.736 ======================= Grid point 146 (66/140) ======================= q-point: (-0.22 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( -13.814 -15.745 -8.138) 22.471 1.276 ( -26.677 -6.218 -5.902) 28.021 1.372 ( 3.188 -14.021 -5.418) 15.366 1.777 ( -7.394 -1.520 0.804) 7.591 2.023 ( 1.358 -6.789 4.863) 8.460 2.105 ( -8.337 -5.237 -0.487) 9.858 2.177 ( 4.042 -8.115 0.310) 9.071 2.421 ( 1.144 -4.612 -3.531) 5.920 2.498 ( -1.542 -9.036 -1.608) 9.307 2.708 ( 0.598 -3.198 2.060) 3.851 2.895 ( -1.906 -1.758 -4.773) 5.432 3.016 ( 8.444 -0.163 -0.626) 8.469 3.182 ( -0.977 -0.371 -0.390) 1.115 3.249 ( -0.765 0.330 0.381) 0.916 3.334 ( -8.204 -0.864 -1.453) 8.377 3.454 ( 4.344 -2.266 -2.553) 5.525 3.602 ( 6.589 0.678 6.643) 9.381 3.763 ( 7.540 4.957 4.343) 10.014 3.796 ( 0.909 0.134 -1.495) 1.755 3.984 ( 0.110 -1.277 -0.699) 1.460 4.005 ( -0.440 -2.633 4.582) 5.304 4.348 ( 1.410 2.675 0.358) 3.045 4.453 ( 0.265 -0.683 -0.460) 0.865 4.634 ( 6.763 0.368 3.407) 7.582 4.778 ( -4.713 -0.474 -7.460) 8.836 4.881 ( 5.551 -1.935 0.924) 5.951 5.049 ( -5.109 2.511 -0.966) 5.774 5.210 ( -4.435 -1.654 3.215) 5.722 5.355 ( 1.075 2.310 2.417) 3.511 5.455 ( 0.762 2.657 -0.634) 2.835 5.505 ( -0.953 7.464 -0.357) 7.533 5.747 ( -2.931 1.782 6.722) 7.547 5.861 ( -2.383 0.822 -1.162) 2.776 5.916 ( 1.480 -3.450 -8.830) 9.595 6.012 ( -3.886 3.990 -2.401) 6.065 6.112 ( -4.472 -2.327 4.078) 6.484 6.471 ( 0.300 0.556 3.476) 3.533 6.653 ( 4.910 -8.445 5.271) 11.100 6.698 ( 6.849 1.799 -1.509) 7.240 6.947 ( -5.293 10.029 -17.382) 20.754 7.695 ( 2.211 2.224 7.575) 8.198 7.833 ( -5.133 -0.377 1.000) 5.243 7.949 ( 2.376 1.364 -0.961) 2.904 8.033 ( 1.134 -7.409 -1.532) 7.651 8.114 ( 0.618 0.858 -2.141) 2.388 8.242 ( -1.096 2.422 -2.000) 3.327 8.332 ( -1.945 1.189 -2.017) 3.044 8.413 ( 2.472 -0.535 6.346) 6.832 8.684 ( 1.183 -3.049 2.300) 3.998 9.077 ( 9.619 -4.909 2.107) 11.003 9.208 ( 6.844 -1.897 -3.031) 7.722 9.673 ( 9.246 -12.196 -13.375) 20.325 9.965 ( -8.181 3.249 10.443) 13.658 10.231 ( -0.724 -2.750 -4.087) 4.979 10.615 ( -3.142 -2.332 -1.918) 4.357 10.682 ( -0.736 -2.987 3.800) 4.889 10.853 ( -1.014 -2.371 -3.373) 4.246 11.072 ( 1.208 -3.218 -6.748) 7.573 11.138 ( 3.895 -4.111 1.975) 5.997 11.166 ( 5.465 -1.924 -3.654) 6.850 11.780 ( -1.183 0.612 13.472) 13.538 11.918 ( -10.892 8.347 5.567) 14.809 12.025 ( -6.373 1.459 6.251) 9.046 12.195 ( 4.007 3.026 0.249) 5.028 12.375 ( -3.006 2.262 -7.833) 8.690 12.707 ( -4.382 4.187 -6.417) 8.827 12.813 ( -5.330 -0.927 -0.305) 5.418 13.209 ( 4.750 9.867 2.602) 11.255 13.264 ( 3.098 4.574 -4.826) 7.335 13.542 ( 3.172 -3.160 -1.289) 4.659 13.785 ( 0.504 5.725 -6.349) 8.564 13.864 ( -1.254 3.393 -3.806) 5.250 14.184 ( -9.243 -8.743 -0.429) 12.730 14.292 ( 7.631 -4.360 2.975) 9.279 14.566 ( 8.223 -0.921 3.139) 8.850 14.925 ( 15.003 -16.052 0.551) 21.978 17.537 ( -11.762 8.688 -3.388) 15.010 17.871 ( -12.634 8.763 8.918) 17.775 18.419 ( 5.821 3.097 5.408) 8.528 18.501 ( 4.206 6.271 8.292) 11.215 20.906 ( -0.909 1.698 1.026) 2.182 21.442 ( 3.830 -0.215 -10.245) 10.940 21.508 ( -3.824 -0.127 2.708) 4.687 21.587 ( -1.153 -2.813 1.825) 3.546 21.789 ( -3.383 -3.205 -4.715) 6.630 22.080 ( 5.482 -4.790 -1.526) 7.438 22.973 ( -0.611 0.143 1.428) 1.560 23.067 ( -0.213 -5.403 -1.565) 5.629 23.370 ( -0.071 -5.297 11.727) 12.868 23.600 ( 3.984 -1.446 7.364) 8.497 23.700 ( -2.228 -3.651 -6.695) 7.945 23.825 ( -0.378 -0.682 -7.576) 7.616 24.091 ( -2.847 1.728 4.175) 5.340 24.243 ( 2.283 0.794 3.045) 3.888 24.451 ( 0.843 1.497 6.921) 7.131 25.047 ( -2.834 17.848 -12.876) 22.189 ======================= Grid point 147 (67/140) ======================= q-point: (-0.11 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.210 ( -17.274 -17.029 -6.058) 25.001 1.243 ( -21.121 -13.273 6.196) 25.703 1.593 ( -3.812 -16.059 -0.896) 16.530 1.865 ( -0.637 -15.359 -4.280) 15.958 2.131 ( -3.020 -8.553 4.314) 10.044 2.255 ( 5.842 -4.768 2.323) 7.891 2.376 ( 5.931 -9.356 -0.707) 11.100 2.525 ( 4.098 -5.978 -3.690) 8.133 2.675 ( 0.769 -12.712 -2.180) 12.920 2.795 ( -1.495 -7.092 1.072) 7.326 2.864 ( 0.229 4.240 -2.196) 4.781 3.015 ( -1.399 -3.793 -4.367) 5.951 3.202 ( -4.756 1.046 -0.934) 4.958 3.247 ( -2.755 -4.278 -0.842) 5.158 3.301 ( -4.573 -1.995 0.037) 4.989 3.514 ( 2.675 1.358 0.776) 3.099 3.677 ( 7.044 -3.305 5.561) 9.564 3.764 ( 9.914 6.952 7.134) 14.054 3.832 ( 2.696 -1.416 0.148) 3.049 3.969 ( 1.694 0.098 2.135) 2.727 4.078 ( -1.336 -2.001 4.707) 5.286 4.315 ( 3.323 1.394 -7.582) 8.394 4.419 ( -2.952 0.557 -5.416) 6.193 4.657 ( 2.642 1.990 1.065) 3.475 4.731 ( -2.698 0.342 -3.473) 4.411 4.970 ( -5.854 0.281 -0.542) 5.885 4.999 ( 7.543 -3.092 2.968) 8.675 5.197 ( -5.318 3.158 4.010) 7.371 5.335 ( -1.229 -0.201 1.252) 1.767 5.343 ( -3.318 3.703 -1.351) 5.152 5.433 ( 4.791 6.694 3.711) 9.029 5.707 ( -1.113 3.143 -0.566) 3.382 5.800 ( 0.785 0.709 -2.474) 2.691 5.891 ( -5.320 3.825 -2.162) 6.900 6.027 ( 4.917 -5.854 -3.872) 8.569 6.128 ( -7.069 -1.201 6.503) 9.680 6.456 ( -4.002 1.540 4.028) 5.883 6.586 ( -4.224 8.720 -8.467) 12.867 6.773 ( 6.657 0.249 -4.463) 8.019 6.890 ( 8.100 -5.444 2.300) 10.026 7.731 ( 2.506 0.279 7.311) 7.734 7.789 ( -1.774 2.686 -0.642) 3.283 7.917 ( 3.071 4.751 -1.556) 5.867 7.972 ( -1.977 7.630 -2.692) 8.329 8.202 ( -2.496 -4.339 1.373) 5.191 8.221 ( -1.258 -3.915 0.047) 4.113 8.292 ( 1.091 1.970 -3.421) 4.096 8.457 ( 3.260 0.538 4.001) 5.189 8.740 ( -0.705 -2.841 1.135) 3.140 9.192 ( 6.449 -2.688 0.424) 6.999 9.338 ( 5.704 -7.827 0.161) 9.687 9.728 ( -6.412 5.488 -1.776) 8.625 9.861 ( -7.350 4.248 5.669) 10.208 10.422 ( 15.708 -10.638 -10.673) 21.768 10.632 ( -1.078 -3.534 -2.421) 4.417 10.757 ( -0.035 -3.194 5.164) 6.072 10.889 ( -1.327 -5.002 -3.308) 6.142 11.156 ( 4.862 -5.594 -6.488) 9.849 11.222 ( 3.837 -2.264 -2.828) 5.276 11.306 ( 7.944 -7.988 1.838) 11.415 11.689 ( -8.394 6.611 0.877) 10.721 11.828 ( -2.880 1.448 14.514) 14.868 11.962 ( -4.066 3.585 5.460) 7.694 12.159 ( 3.092 4.398 -2.057) 5.756 12.312 ( -1.490 -1.080 -3.133) 3.634 12.565 ( -3.524 5.145 -2.628) 6.767 12.779 ( -6.992 -0.353 0.236) 7.005 13.045 ( 1.799 11.166 -0.698) 11.332 13.247 ( 6.316 1.367 1.165) 6.566 13.512 ( 4.030 6.519 -6.443) 10.012 13.752 ( -2.961 -1.268 2.609) 4.145 13.817 ( 2.838 -0.878 -5.306) 6.081 14.250 ( -8.411 -7.153 0.563) 11.056 14.391 ( 2.060 -1.514 1.252) 2.847 14.706 ( 10.451 -4.477 1.061) 11.419 15.314 ( 15.073 -14.676 -0.019) 21.037 17.179 ( -17.513 19.059 1.499) 25.927 17.656 ( -13.259 6.513 5.646) 15.814 18.382 ( 4.913 8.646 2.348) 10.218 18.473 ( 0.271 -1.483 -3.518) 3.827 20.879 ( -1.653 1.844 4.286) 4.950 21.383 ( 2.313 2.287 -8.379) 8.988 21.516 ( -3.313 -1.530 1.240) 3.854 21.692 ( 1.938 -4.857 7.278) 8.962 21.781 ( -4.144 -2.822 -4.862) 6.984 22.262 ( 16.114 -3.232 4.990) 17.176 22.983 ( -1.298 -0.811 1.928) 2.462 23.167 ( 1.061 -7.418 -3.586) 8.307 23.498 ( -1.273 -5.281 3.113) 6.261 23.680 ( 2.401 -1.938 4.618) 5.554 23.763 ( 0.745 -5.050 -2.160) 5.543 23.803 ( -0.875 -2.213 -7.302) 7.680 24.051 ( -2.379 2.730 3.634) 5.130 24.255 ( 2.131 1.049 1.645) 2.890 24.436 ( -1.043 3.858 2.297) 4.609 24.579 ( -13.096 18.210 -8.944) 24.148 ======================= Grid point 155 (68/140) ======================= q-point: (-0.22 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( -20.336 -0.000 -10.356) 22.821 0.947 ( -29.953 -0.000 -11.973) 32.258 1.264 ( -4.078 -0.000 -0.079) 4.079 1.657 ( -21.042 -0.000 1.746) 21.115 1.949 ( -3.785 -0.000 3.979) 5.492 1.975 ( 0.200 0.000 1.860) 1.871 2.196 ( 11.431 0.000 3.408) 11.929 2.382 ( -2.819 -0.000 2.618) 3.847 2.425 ( 5.535 0.000 -4.047) 6.857 2.689 ( -0.664 -0.000 1.215) 1.384 2.836 ( -2.111 -0.000 -5.043) 5.467 3.083 ( 8.354 0.000 2.925) 8.852 3.180 ( -6.896 -0.000 -3.585) 7.772 3.246 ( 1.106 0.000 0.399) 1.175 3.292 ( -1.960 -0.000 -1.717) 2.606 3.463 ( 7.584 0.000 -3.505) 8.354 3.645 ( 3.982 0.000 5.393) 6.704 3.825 ( 6.479 0.000 -3.887) 7.555 3.895 ( 4.771 0.000 3.926) 6.178 3.927 ( -1.778 -0.000 3.479) 3.907 4.039 ( 5.356 0.000 2.067) 5.741 4.394 ( -0.364 -0.000 2.782) 2.806 4.444 ( -3.231 -0.000 2.118) 3.863 4.663 ( -7.258 -0.000 -3.582) 8.093 4.738 ( 7.490 0.000 1.255) 7.594 4.866 ( -2.840 -0.000 1.391) 3.162 5.054 ( -0.970 -0.000 1.206) 1.547 5.163 ( -4.062 -0.000 1.808) 4.446 5.400 ( 3.011 0.000 0.373) 3.034 5.482 ( -0.022 -0.000 -3.871) 3.871 5.589 ( 2.983 0.000 2.635) 3.980 5.759 ( -5.265 -0.000 4.071) 6.656 5.809 ( 0.177 0.000 -3.372) 3.376 5.880 ( -1.092 -0.000 -10.575) 10.631 6.006 ( -4.441 -0.000 -3.476) 5.640 6.080 ( -2.847 -0.000 8.549) 9.011 6.487 ( -1.882 -0.000 -10.861) 11.023 6.531 ( -7.023 -0.000 5.546) 8.949 6.782 ( 8.011 0.000 0.808) 8.052 6.922 ( -1.613 -0.000 -21.247) 21.308 7.757 ( -3.681 -0.000 2.721) 4.578 7.829 ( 3.724 0.000 7.453) 8.331 7.947 ( 1.541 0.000 1.164) 1.931 7.969 ( 1.082 0.000 -3.139) 3.320 8.118 ( 0.303 0.000 -3.865) 3.877 8.220 ( -0.848 -0.000 -6.349) 6.405 8.316 ( -3.414 -0.000 0.655) 3.476 8.474 ( 2.925 0.000 8.825) 9.298 8.669 ( 0.576 0.000 1.334) 1.453 9.126 ( 10.623 0.000 4.374) 11.488 9.282 ( 11.502 0.000 4.222) 12.253 9.534 ( 9.653 0.000 -13.151) 16.313 9.978 ( -9.243 -0.000 11.838) 15.019 10.164 ( -5.703 -0.000 -1.751) 5.966 10.554 ( -4.994 -0.000 -1.410) 5.189 10.668 ( -1.054 -0.000 6.749) 6.831 10.811 ( -1.261 -0.000 -3.291) 3.524 11.011 ( 1.124 0.000 -7.040) 7.129 11.136 ( 2.991 0.000 0.059) 2.991 11.189 ( 7.120 0.000 -1.936) 7.379 11.844 ( -1.028 -0.000 14.248) 14.285 11.964 ( -12.806 -0.000 9.065) 15.690 11.980 ( -7.326 -0.000 2.468) 7.730 12.236 ( 2.411 0.000 -2.431) 3.424 12.360 ( -1.889 -0.000 -3.658) 4.117 12.648 ( -3.525 -0.000 -7.493) 8.281 12.815 ( -2.061 -0.000 2.916) 3.571 13.285 ( 1.931 0.000 -16.926) 17.036 13.366 ( 4.976 0.000 6.484) 8.174 13.507 ( 3.424 0.000 0.313) 3.438 13.819 ( 3.085 0.000 -12.101) 12.488 13.898 ( -7.684 -0.000 -1.696) 7.869 13.969 ( -7.099 -0.000 -3.665) 7.989 14.352 ( 10.897 0.000 4.446) 11.769 14.634 ( 3.014 0.000 4.856) 5.715 14.864 ( 14.033 0.000 0.515) 14.042 17.498 ( -9.615 -0.000 -5.741) 11.198 17.909 ( -9.776 -0.000 6.281) 11.620 18.424 ( 0.817 0.000 -3.562) 3.655 18.808 ( 14.210 0.000 19.389) 24.039 20.925 ( -0.848 -0.000 4.844) 4.917 21.406 ( 2.674 0.000 -9.975) 10.327 21.502 ( -2.401 -0.000 2.701) 3.614 21.565 ( -1.105 -0.000 9.749) 9.811 21.732 ( -2.186 -0.000 0.028) 2.186 22.022 ( 1.299 0.000 -2.779) 3.067 22.982 ( -1.707 -0.000 -1.357) 2.181 23.001 ( 0.463 0.000 1.196) 1.283 23.376 ( -0.934 -0.000 10.560) 10.601 23.609 ( -2.911 -0.000 -6.843) 7.437 23.654 ( 3.635 0.000 6.708) 7.630 23.777 ( -0.590 -0.000 -8.065) 8.086 24.102 ( -2.837 -0.000 3.335) 4.378 24.278 ( 1.840 0.000 1.825) 2.591 24.504 ( 0.226 0.000 7.004) 7.008 25.163 ( 2.591 0.000 -20.889) 21.049 ======================= Grid point 156 (69/140) ======================= q-point: (-0.11 -0.22 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.714 ( -17.455 -20.045 -4.986) 27.043 0.859 ( -21.814 -18.276 1.557) 28.501 1.232 ( -28.927 -12.521 5.536) 32.003 1.615 ( 0.340 -7.651 -2.402) 8.027 2.035 ( 2.925 -6.277 6.116) 9.239 2.153 ( 2.703 -15.025 0.541) 15.276 2.304 ( 5.353 -1.583 3.626) 6.657 2.422 ( 1.843 -5.983 -1.036) 6.345 2.507 ( 3.101 -6.643 -0.526) 7.350 2.705 ( -1.849 -2.196 0.986) 3.035 2.825 ( -2.416 -3.308 -3.347) 5.290 3.073 ( 0.932 8.440 -1.917) 8.705 3.136 ( -5.479 -0.040 -1.879) 5.792 3.202 ( 3.264 -1.005 0.012) 3.415 3.291 ( -1.273 -0.240 -1.195) 1.762 3.547 ( 7.258 -2.509 0.421) 7.691 3.763 ( 5.060 0.961 5.821) 7.772 3.790 ( 2.285 -2.533 -1.955) 3.932 3.922 ( 2.743 0.831 2.650) 3.904 3.989 ( 4.106 -1.091 0.477) 4.275 4.082 ( 5.615 1.414 3.781) 6.915 4.351 ( -2.098 4.258 0.098) 4.748 4.398 ( -2.873 2.413 -6.260) 7.299 4.604 ( -7.077 -3.256 -3.286) 8.455 4.775 ( 4.351 2.725 3.711) 6.335 4.908 ( -6.232 -4.456 3.593) 8.462 5.042 ( 4.947 1.710 2.232) 5.690 5.171 ( -3.124 -1.493 2.413) 4.220 5.387 ( 1.800 3.779 -2.929) 5.108 5.409 ( -1.710 5.834 0.592) 6.108 5.603 ( 7.392 4.750 3.904) 9.615 5.717 ( -3.467 1.217 -1.218) 3.871 5.784 ( -0.572 1.080 -6.100) 6.221 5.894 ( 2.433 -6.204 -4.573) 8.082 5.925 ( -3.538 1.251 0.456) 3.780 6.092 ( -7.948 -0.055 5.346) 9.579 6.403 ( -9.727 -3.137 -2.375) 10.493 6.619 ( -0.217 -5.065 -9.419) 10.696 6.813 ( 6.625 1.008 -5.700) 8.798 6.847 ( 6.193 -2.235 -1.254) 6.703 7.737 ( -3.587 -0.595 1.165) 3.819 7.859 ( 4.007 3.155 3.850) 6.390 7.972 ( 3.191 -0.697 -2.379) 4.041 8.011 ( -1.247 -1.019 -3.393) 3.756 8.106 ( -0.276 -2.873 1.404) 3.210 8.193 ( -0.855 0.700 -4.585) 4.716 8.300 ( 0.266 -0.108 0.360) 0.461 8.524 ( 2.111 0.771 6.438) 6.819 8.696 ( 0.115 -1.206 3.706) 3.899 9.241 ( 7.601 -2.090 3.974) 8.828 9.329 ( 8.273 2.827 1.273) 8.835 9.714 ( 4.172 -5.175 -4.168) 7.846 9.900 ( -11.797 5.779 7.896) 15.327 10.286 ( 14.412 -14.270 -8.012) 21.806 10.542 ( -2.213 -4.518 -1.382) 5.217 10.749 ( 2.283 -2.983 10.650) 11.293 10.801 ( -1.979 -2.179 -1.108) 3.146 11.067 ( 7.685 -6.989 -6.932) 12.489 11.177 ( 0.912 -3.154 -0.244) 3.292 11.273 ( 9.564 -4.817 2.743) 11.055 11.773 ( -11.719 10.655 2.319) 16.007 11.900 ( -0.956 0.583 14.738) 14.781 11.974 ( -6.704 -0.647 5.362) 8.608 12.221 ( 1.777 2.182 -3.971) 4.867 12.307 ( 0.464 2.064 -1.799) 2.777 12.590 ( -2.625 2.486 -4.449) 5.733 12.748 ( -6.427 3.591 1.943) 7.615 13.217 ( 2.952 2.160 -6.965) 7.867 13.339 ( 4.504 6.914 3.822) 9.093 13.581 ( 4.109 -0.031 -4.902) 6.396 13.700 ( -2.561 0.491 -3.802) 4.610 13.826 ( 1.378 1.062 -4.519) 4.843 14.030 ( -8.764 -9.502 -1.828) 13.055 14.427 ( 5.260 1.792 2.519) 6.101 14.712 ( 6.909 -4.221 2.916) 8.606 15.153 ( 14.974 -17.468 -1.000) 23.029 17.327 ( -10.049 11.082 -5.772) 16.034 17.725 ( -19.109 12.814 10.109) 25.131 18.426 ( 1.067 -1.548 -4.048) 4.463 18.647 ( -2.100 21.114 -5.130) 21.829 20.939 ( -0.418 2.960 10.227) 10.655 21.370 ( 1.869 0.200 -11.688) 11.838 21.513 ( -0.733 0.449 7.617) 7.665 21.653 ( -1.579 -1.552 11.270) 11.486 21.722 ( -0.904 -1.211 0.267) 1.534 22.299 ( 23.458 -17.188 10.113) 30.790 22.972 ( -0.220 -0.933 1.231) 1.560 23.050 ( 0.260 -4.834 -2.212) 5.323 23.420 ( -3.147 -2.878 -0.235) 4.271 23.626 ( -0.085 -5.748 0.094) 5.749 23.712 ( 1.521 -1.847 -0.027) 2.393 23.750 ( 0.622 -0.531 -2.077) 2.232 24.082 ( -2.621 1.431 2.365) 3.809 24.288 ( 1.269 0.712 0.255) 1.477 24.505 ( -1.516 3.397 3.594) 5.172 24.743 ( -18.636 23.995 -24.298) 38.904 ======================= Grid point 165 (70/140) ======================= q-point: (-0.11 -0.11 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( -18.195 -0.000 4.236) 18.682 0.416 ( -23.005 -0.000 6.238) 23.836 0.900 ( -42.441 -0.000 19.312) 46.628 1.597 ( 3.625 0.000 0.088) 3.626 1.986 ( -0.482 -0.000 1.813) 1.876 2.049 ( 6.604 0.000 5.440) 8.556 2.354 ( -6.118 -0.000 5.057) 7.937 2.375 ( 10.817 0.000 -3.155) 11.267 2.481 ( 4.104 0.000 -0.260) 4.113 2.690 ( -0.826 -0.000 2.159) 2.312 2.755 ( -3.290 -0.000 -3.745) 4.985 3.082 ( -3.422 -0.000 1.405) 3.699 3.174 ( 0.179 0.000 -1.220) 1.233 3.241 ( 2.350 0.000 -2.158) 3.191 3.268 ( 0.925 0.000 -1.421) 1.696 3.566 ( 7.630 0.000 -0.430) 7.642 3.742 ( 1.454 0.000 4.447) 4.679 3.854 ( 1.558 0.000 -1.116) 1.917 3.927 ( 0.987 0.000 -2.775) 2.945 4.019 ( 8.283 0.000 -0.888) 8.331 4.190 ( 9.514 0.000 0.522) 9.529 4.365 ( -7.197 -0.000 -2.749) 7.704 4.408 ( -2.024 -0.000 1.046) 2.278 4.481 ( -7.950 -0.000 -1.954) 8.187 4.803 ( -6.886 -0.000 5.314) 8.698 4.869 ( 2.920 0.000 4.246) 5.153 5.129 ( -2.686 -0.000 0.688) 2.773 5.222 ( 14.028 0.000 11.029) 17.845 5.442 ( 1.774 0.000 -2.729) 3.255 5.476 ( 8.639 0.000 12.395) 15.109 5.685 ( 4.304 0.000 1.533) 4.569 5.701 ( -3.975 -0.000 2.313) 4.599 5.745 ( -0.715 -0.000 -10.829) 10.853 5.806 ( 0.314 0.000 -2.749) 2.767 5.929 ( -3.891 -0.000 -0.209) 3.897 6.058 ( -21.368 -0.000 -13.525) 25.289 6.116 ( -4.367 -0.000 8.303) 9.381 6.457 ( -7.160 -0.000 3.692) 8.055 6.826 ( 5.523 0.000 -7.650) 9.435 6.891 ( 4.036 0.000 -2.634) 4.819 7.706 ( -2.372 -0.000 -0.385) 2.403 7.930 ( -0.504 -0.000 -2.133) 2.192 7.945 ( 0.666 0.000 -3.740) 3.799 7.978 ( 1.408 0.000 0.511) 1.498 8.100 ( -0.068 -0.000 2.089) 2.090 8.152 ( 0.466 0.000 -6.920) 6.935 8.312 ( -0.331 -0.000 3.539) 3.554 8.538 ( -1.217 -0.000 -0.266) 1.245 8.789 ( 7.816 0.000 16.850) 18.575 9.280 ( 4.071 0.000 3.687) 5.493 9.565 ( 14.889 0.000 5.143) 15.752 9.611 ( 11.311 0.000 -6.107) 12.854 9.964 ( -7.596 -0.000 8.585) 11.464 10.100 ( -0.003 -0.000 -1.451) 1.451 10.462 ( -5.706 -0.000 0.293) 5.714 10.763 ( -0.510 -0.000 -1.352) 1.445 10.888 ( 17.525 0.000 27.678) 32.760 10.995 ( 4.465 0.000 -5.959) 7.446 11.153 ( 0.569 0.000 -1.234) 1.359 11.319 ( 9.416 0.000 7.637) 12.124 11.864 ( -10.754 -0.000 8.560) 13.745 11.890 ( -2.096 -0.000 -0.435) 2.140 11.981 ( 1.963 0.000 17.013) 17.126 12.238 ( 2.519 0.000 -3.664) 4.447 12.331 ( -1.001 -0.000 1.197) 1.560 12.585 ( 0.874 0.000 -1.717) 1.927 12.815 ( -1.812 -0.000 2.666) 3.223 13.040 ( -9.458 -0.000 -15.156) 17.865 13.501 ( 5.421 0.000 4.516) 7.055 13.570 ( 4.351 0.000 -0.602) 4.393 13.725 ( 0.939 0.000 -6.736) 6.801 13.751 ( -9.071 -0.000 -1.302) 9.164 13.907 ( 0.258 0.000 1.394) 1.418 14.522 ( 6.872 0.000 1.042) 6.950 14.705 ( 0.795 0.000 4.971) 5.035 15.039 ( 7.588 0.000 0.439) 7.600 17.338 ( -1.962 -0.000 -8.008) 8.245 17.823 ( -9.612 -0.000 7.286) 12.062 18.400 ( 1.279 0.000 -4.599) 4.773 18.692 ( -34.933 -0.000 -64.038) 72.946 21.073 ( 4.841 0.000 10.641) 11.690 21.330 ( 1.952 0.000 -10.623) 10.801 21.561 ( 0.638 0.000 10.219) 10.239 21.711 ( -0.613 -0.000 1.693) 1.800 22.024 ( 1.656 0.000 -2.119) 2.689 22.136 ( 50.307 0.000 75.219) 90.492 22.954 ( -0.582 -0.000 -1.042) 1.193 23.011 ( -0.167 -0.000 0.264) 0.313 23.342 ( -5.861 -0.000 -8.487) 10.314 23.589 ( 0.841 0.000 6.671) 6.724 23.674 ( -0.265 -0.000 -7.626) 7.631 23.776 ( 2.413 0.000 5.581) 6.080 24.082 ( -2.682 -0.000 1.073) 2.889 24.298 ( 0.194 0.000 -1.835) 1.845 24.543 ( -2.258 -0.000 3.983) 4.579 24.643 ( -37.662 -0.000 -62.223) 72.733 ======================= Grid point 166 (71/140) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.886 ( 9.923 0.000 21.501) 23.680 1.110 ( -17.233 -0.000 26.686) 31.766 1.465 ( 1.020 0.000 10.031) 10.082 1.715 ( 10.510 0.000 20.397) 22.946 1.941 ( 3.573 0.000 -9.257) 9.923 2.103 ( 7.776 0.000 -1.230) 7.873 2.245 ( 4.704 0.000 -10.135) 11.173 2.428 ( -9.065 -0.000 7.497) 11.764 2.574 ( -1.537 -0.000 -3.455) 3.782 2.687 ( -4.361 -0.000 6.427) 7.767 2.858 ( -5.297 -0.000 -13.019) 14.056 2.896 ( 1.918 0.000 10.972) 11.139 3.118 ( 3.009 0.000 -4.064) 5.057 3.202 ( -2.288 -0.000 -3.824) 4.456 3.341 ( 1.106 0.000 6.427) 6.521 3.682 ( 9.192 0.000 -5.406) 10.664 3.710 ( -4.461 -0.000 -3.984) 5.981 3.745 ( -1.466 -0.000 -6.395) 6.561 3.912 ( 2.441 0.000 0.743) 2.552 3.926 ( 5.708 0.000 -4.039) 6.993 4.131 ( -7.657 -0.000 0.859) 7.705 4.199 ( -10.517 -0.000 -0.336) 10.522 4.396 ( 6.793 0.000 4.116) 7.943 4.576 ( -2.023 -0.000 3.436) 3.987 4.781 ( -0.683 -0.000 0.491) 0.841 4.905 ( 4.952 0.000 -6.581) 8.236 5.048 ( -10.685 -0.000 5.576) 12.053 5.170 ( 3.037 0.000 -0.298) 3.051 5.472 ( 9.091 0.000 -7.906) 12.048 5.549 ( -3.040 -0.000 -8.171) 8.718 5.635 ( -1.355 -0.000 2.207) 2.589 5.685 ( -7.026 -0.000 3.515) 7.856 5.808 ( 1.052 0.000 1.788) 2.074 5.906 ( 6.761 0.000 -1.553) 6.937 5.942 ( -4.745 -0.000 10.135) 11.191 6.249 ( -8.887 -0.000 10.257) 13.571 6.409 ( 12.082 0.000 -8.788) 14.940 6.548 ( -5.100 -0.000 7.379) 8.970 6.667 ( 8.000 0.000 -10.087) 12.875 6.834 ( 10.277 0.000 -5.551) 11.681 7.627 ( -2.624 -0.000 -1.030) 2.819 7.787 ( 0.094 0.000 -7.132) 7.133 7.798 ( -3.550 -0.000 1.220) 3.754 7.976 ( 5.686 0.000 -6.389) 8.552 8.075 ( 2.798 0.000 2.648) 3.852 8.138 ( -1.930 -0.000 -0.062) 1.931 8.435 ( 2.040 0.000 3.328) 3.904 8.484 ( -4.250 -0.000 0.467) 4.275 9.360 ( 4.740 0.000 12.811) 13.660 9.391 ( -4.459 -0.000 3.846) 5.888 9.634 ( -13.288 -0.000 -1.943) 13.430 9.709 ( 13.991 0.000 -1.121) 14.036 9.766 ( -5.923 -0.000 3.066) 6.669 10.051 ( 0.987 0.000 -6.436) 6.512 10.490 ( 1.164 0.000 5.513) 5.634 10.739 ( 2.031 0.000 -2.747) 3.416 10.946 ( 4.798 0.000 -2.670) 5.491 11.028 ( 2.684 0.000 -9.313) 9.692 11.171 ( 2.475 0.000 2.836) 3.765 11.379 ( -7.424 -0.000 -5.216) 9.073 11.850 ( -18.927 -0.000 3.226) 19.200 11.910 ( 0.589 0.000 1.828) 1.921 12.008 ( -2.814 -0.000 4.181) 5.040 12.188 ( 2.670 0.000 -4.134) 4.921 12.494 ( -4.353 -0.000 11.709) 12.492 12.694 ( 8.007 0.000 3.173) 8.613 12.827 ( -3.355 -0.000 0.925) 3.480 13.116 ( 7.580 0.000 -12.748) 14.831 13.526 ( -9.520 -0.000 -0.029) 9.520 13.581 ( 6.195 0.000 -2.436) 6.657 13.732 ( 2.387 0.000 3.249) 4.031 13.866 ( 5.401 0.000 -2.868) 6.116 14.349 ( 19.243 0.000 3.520) 19.562 14.503 ( -5.795 -0.000 -3.435) 6.736 14.968 ( 12.385 0.000 3.386) 12.839 15.065 ( -3.127 -0.000 -1.483) 3.461 16.890 ( -38.108 -0.000 5.133) 38.452 17.158 ( 13.459 0.000 -8.039) 15.677 17.932 ( -7.167 -0.000 8.952) 11.468 18.271 ( 4.936 0.000 -7.556) 9.025 21.106 ( -3.280 -0.000 -0.375) 3.301 21.169 ( 4.002 0.000 -4.175) 5.783 21.798 ( -1.063 -0.000 4.384) 4.511 21.957 ( -0.835 -0.000 0.816) 1.167 22.015 ( 7.803 0.000 12.086) 14.386 22.628 ( -14.478 -0.000 -12.437) 19.086 22.933 ( 2.800 0.000 -0.462) 2.838 23.001 ( -7.624 -0.000 -5.406) 9.346 23.223 ( -12.748 -0.000 4.768) 13.610 23.464 ( 1.576 0.000 -6.803) 6.983 23.818 ( 4.768 0.000 5.460) 7.249 23.952 ( 0.681 0.000 2.014) 2.126 24.003 ( -3.175 -0.000 -1.281) 3.424 24.027 ( 12.757 0.000 0.325) 12.761 24.411 ( 20.283 0.000 3.529) 20.588 24.497 ( -10.553 -0.000 -0.871) 10.589 ======================= Grid point 167 (72/140) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( -5.165 -8.274 21.939) 24.009 1.247 ( 4.271 -12.504 19.830) 23.829 1.550 ( -3.264 -11.862 -9.090) 15.297 1.956 ( 3.699 -4.424 -4.695) 7.436 2.073 ( 15.391 -9.771 25.859) 31.639 2.190 ( 3.720 -5.627 2.564) 7.216 2.274 ( 0.150 -6.642 -12.588) 14.234 2.465 ( -1.486 -7.462 4.888) 9.044 2.593 ( -3.794 -6.274 -5.729) 9.305 2.695 ( -1.073 -3.282 -2.950) 4.542 2.816 ( -3.052 -2.152 -0.103) 3.736 2.953 ( 2.368 0.894 10.350) 10.655 3.111 ( 1.598 0.187 -5.341) 5.578 3.155 ( -3.026 0.313 -6.724) 7.381 3.367 ( -1.045 0.672 6.336) 6.456 3.605 ( -2.457 3.371 -3.761) 5.617 3.649 ( -2.393 5.642 -3.162) 6.896 3.718 ( 3.772 1.511 -5.963) 7.216 3.913 ( -5.336 -1.138 -2.601) 6.044 4.005 ( 5.568 -4.287 -4.798) 8.509 4.080 ( -0.484 1.999 6.922) 7.221 4.105 ( -3.763 3.392 0.857) 5.138 4.495 ( 4.824 -2.459 6.224) 8.249 4.573 ( -7.567 -3.483 -3.208) 8.926 4.780 ( 1.041 1.608 -2.024) 2.787 4.873 ( 5.931 3.048 -5.187) 8.448 5.042 ( -4.743 -2.888 9.451) 10.962 5.189 ( -1.958 -0.208 1.246) 2.330 5.470 ( 1.985 0.543 -8.602) 8.845 5.483 ( -5.083 0.411 -4.793) 6.998 5.610 ( -3.353 5.475 4.594) 7.895 5.655 ( 0.669 2.298 1.646) 2.905 5.788 ( 5.092 3.998 1.383) 6.620 5.824 ( 3.085 4.394 -2.143) 5.780 6.002 ( 1.068 1.281 5.239) 5.499 6.167 ( -1.351 8.387 2.837) 8.956 6.328 ( -3.368 2.106 1.528) 4.256 6.594 ( 0.507 -4.224 -7.643) 8.747 6.783 ( -1.335 -6.810 -3.937) 7.979 6.886 ( 12.568 1.665 -3.205) 13.077 7.601 ( -3.119 0.096 1.630) 3.520 7.778 ( -2.310 -1.162 -1.493) 2.986 7.811 ( 1.722 -2.967 -3.726) 5.065 7.966 ( 4.107 2.185 -5.346) 7.087 8.130 ( -1.695 -0.770 -0.528) 1.935 8.145 ( 3.197 -3.426 1.944) 5.073 8.464 ( -1.263 -1.474 1.973) 2.768 8.479 ( -0.575 -0.930 1.596) 1.934 9.252 ( -12.925 6.689 5.488) 15.554 9.448 ( -4.724 6.318 0.405) 7.899 9.478 ( -4.791 -2.871 6.552) 8.610 9.767 ( 11.373 4.863 2.637) 12.647 9.772 ( -1.072 0.196 5.291) 5.403 10.105 ( 0.775 -7.624 -12.553) 14.707 10.556 ( 4.463 -2.024 6.020) 7.762 10.754 ( 2.424 -1.401 -4.227) 5.070 10.965 ( 1.716 -0.415 -4.055) 4.422 11.016 ( 0.655 -3.148 -7.865) 8.497 11.207 ( 3.263 0.308 4.652) 5.691 11.288 ( -7.586 1.083 -4.304) 8.789 11.714 ( -13.007 1.952 6.880) 14.844 11.943 ( 3.740 -1.114 2.935) 4.883 12.013 ( -3.429 -0.145 3.959) 5.240 12.187 ( 0.759 -0.309 -4.336) 4.413 12.514 ( -5.096 1.064 8.615) 10.066 12.724 ( 5.591 4.730 3.000) 7.914 12.799 ( 1.519 1.815 2.822) 3.683 13.082 ( 2.849 2.404 -13.136) 13.655 13.488 ( -4.355 -2.108 1.785) 5.157 13.601 ( -1.076 0.067 -1.672) 1.990 13.787 ( 3.358 -1.566 2.205) 4.312 13.898 ( 3.754 -2.016 -3.971) 5.824 14.276 ( -12.225 14.185 -3.773) 19.102 14.333 ( 8.099 8.680 2.230) 12.080 14.980 ( -9.398 -4.259 4.805) 11.382 15.267 ( 4.160 -12.432 -7.703) 15.205 16.745 ( -8.258 0.704 9.372) 12.511 17.266 ( 18.054 -0.942 -6.794) 19.313 17.968 ( -5.040 -4.390 6.877) 9.590 18.292 ( 5.565 -1.797 -7.131) 9.223 21.075 ( -3.601 0.411 0.767) 3.705 21.200 ( 4.387 -1.784 -3.676) 5.996 21.758 ( -1.567 4.962 4.102) 6.626 21.855 ( -0.946 8.402 0.120) 8.456 22.154 ( 7.346 -0.678 15.529) 17.192 22.442 ( -11.390 3.504 -8.974) 14.918 22.954 ( 2.182 -0.165 2.109) 3.039 22.998 ( -6.261 -8.144 -6.145) 11.970 23.284 ( -8.701 -11.360 3.678) 14.775 23.470 ( -0.731 -3.574 -4.455) 5.758 23.886 ( 3.071 -0.956 4.233) 5.316 23.929 ( -3.705 -0.167 -3.086) 4.824 24.000 ( 1.392 0.346 2.399) 2.795 24.055 ( 3.771 1.641 -3.244) 5.238 24.391 ( -8.177 2.127 -2.725) 8.878 24.548 ( 22.479 6.437 1.703) 23.444 ======================= Grid point 168 (73/140) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -1.582 -9.784 18.805) 21.257 1.605 ( 7.554 -13.471 11.302) 19.138 1.683 ( -3.147 -11.896 -8.889) 15.180 2.082 ( 5.416 -9.017 -5.848) 12.034 2.302 ( -3.819 -5.636 -6.999) 9.764 2.339 ( -1.381 -5.071 13.270) 14.272 2.434 ( 5.060 -12.854 1.969) 13.953 2.643 ( -0.247 -6.415 -11.242) 12.946 2.682 ( -0.072 -10.010 0.277) 10.014 2.799 ( -1.285 -8.132 0.125) 8.234 2.858 ( 1.616 -4.220 8.704) 9.807 3.002 ( 4.453 2.512 5.196) 7.290 3.059 ( -0.837 -0.631 -3.135) 3.305 3.134 ( 1.651 -2.670 -6.686) 7.386 3.366 ( -3.175 -0.350 3.893) 5.035 3.516 ( -4.599 4.609 2.187) 6.869 3.575 ( 1.471 -0.291 -1.586) 2.183 3.625 ( -3.182 4.419 -4.578) 7.114 3.911 ( -2.390 -3.742 -0.846) 4.520 4.020 ( 4.660 4.795 -4.261) 7.929 4.042 ( -0.852 -0.091 1.283) 1.543 4.173 ( 5.344 -3.446 6.298) 8.950 4.527 ( -7.757 -0.176 -3.738) 8.613 4.568 ( -3.318 -2.219 -0.677) 4.049 4.754 ( 5.200 0.138 -3.597) 6.324 4.866 ( 7.215 3.277 -1.178) 8.011 5.133 ( -4.622 -1.245 6.163) 7.803 5.166 ( -4.602 -3.480 6.280) 8.528 5.401 ( -1.580 4.441 -3.185) 5.689 5.422 ( -5.957 -0.623 -4.200) 7.315 5.466 ( -3.055 8.171 2.600) 9.103 5.591 ( 1.474 4.422 1.385) 4.863 5.764 ( 4.976 2.699 -2.934) 6.376 5.872 ( 6.272 -1.315 -1.872) 6.676 5.962 ( 0.990 4.998 1.885) 5.433 6.074 ( 2.314 0.430 -1.157) 2.622 6.306 ( -4.320 0.751 3.811) 5.810 6.607 ( 1.681 -0.151 -6.741) 6.949 6.806 ( -1.839 -0.761 -1.594) 2.550 6.901 ( 6.010 4.322 -0.756) 7.441 7.591 ( -4.546 -0.573 2.589) 5.263 7.776 ( -1.655 -0.278 1.564) 2.294 7.838 ( 4.729 1.089 -3.835) 6.186 7.936 ( 2.597 1.487 -4.204) 5.160 8.109 ( -3.091 1.336 1.428) 3.658 8.242 ( 2.201 -4.560 0.142) 5.066 8.461 ( -4.102 -0.161 -1.178) 4.271 8.519 ( 2.617 -0.588 3.301) 4.253 9.062 ( -18.643 2.340 3.713) 19.153 9.368 ( -5.314 1.144 3.316) 6.367 9.505 ( 2.478 -1.162 -0.860) 2.868 9.753 ( 10.991 7.366 1.937) 13.372 9.797 ( -2.456 0.580 10.351) 10.654 10.153 ( 2.875 -4.848 -14.626) 15.675 10.674 ( 5.889 -3.789 4.979) 8.592 10.766 ( 2.923 -0.599 -6.930) 7.545 10.950 ( -4.255 -2.222 -4.314) 6.454 11.076 ( 2.340 -4.556 -5.279) 7.355 11.207 ( -6.404 -1.373 -2.332) 6.952 11.260 ( 4.179 0.167 6.067) 7.368 11.673 ( -5.207 -1.254 5.963) 8.016 11.962 ( -2.830 3.144 2.100) 4.723 12.038 ( 4.992 -1.118 3.430) 6.159 12.168 ( -0.692 -0.066 -3.500) 3.569 12.429 ( -9.516 4.868 3.598) 11.278 12.684 ( 1.310 4.463 3.911) 6.077 12.804 ( 4.680 3.281 4.541) 7.300 12.986 ( 2.457 3.642 -10.774) 11.636 13.498 ( 0.884 5.510 8.910) 10.513 13.559 ( -2.937 -0.433 -4.743) 5.595 13.802 ( -5.649 5.477 1.035) 7.936 13.935 ( -11.694 3.854 -4.346) 13.057 13.978 ( 4.270 -6.173 -4.520) 8.762 14.322 ( 7.067 1.329 1.623) 7.372 14.983 ( -14.954 -4.237 2.157) 15.692 15.420 ( 1.769 -7.589 -3.707) 8.630 16.750 ( 2.041 2.187 7.181) 7.779 17.369 ( 17.733 1.758 -5.581) 18.673 18.044 ( -3.033 -4.603 4.971) 7.423 18.342 ( 5.636 -2.651 -6.444) 8.962 21.045 ( -4.143 0.868 2.930) 5.148 21.247 ( 4.489 -1.482 -4.109) 6.264 21.674 ( -2.406 4.396 1.940) 5.374 21.742 ( 1.180 4.990 1.601) 5.372 22.256 ( 4.220 3.154 8.786) 10.245 22.277 ( -3.601 4.024 -2.064) 5.781 22.993 ( -2.281 -2.427 3.363) 4.734 23.073 ( -3.870 -8.344 -6.291) 11.144 23.423 ( -7.067 -10.511 -0.821) 12.692 23.536 ( -3.219 -6.839 0.694) 7.590 23.856 ( -1.777 1.687 -3.148) 3.989 23.965 ( 1.208 -1.839 1.867) 2.885 24.014 ( 2.607 1.146 0.261) 2.860 24.035 ( 1.553 0.212 -1.953) 2.505 24.299 ( -4.334 1.197 -2.602) 5.194 24.562 ( 16.502 9.882 1.834) 19.322 ======================= Grid point 169 (74/140) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 1.895 -8.077 14.545) 16.745 1.826 ( -1.727 -9.450 -0.187) 9.608 1.890 ( 4.885 -10.494 2.669) 11.879 2.244 ( 0.445 -8.996 -4.026) 9.866 2.300 ( -1.632 -3.121 -11.699) 12.218 2.402 ( -1.019 0.453 4.863) 4.989 2.628 ( -1.291 -6.414 -3.372) 7.361 2.678 ( 4.253 2.490 -3.699) 6.162 2.787 ( 0.788 -4.038 -2.680) 4.910 2.818 ( -7.213 -0.766 1.979) 7.518 2.891 ( -2.959 1.308 0.270) 3.247 3.004 ( -2.826 -7.133 2.984) 8.232 3.150 ( -0.444 -1.718 -6.162) 6.413 3.228 ( 5.935 -1.189 5.669) 8.293 3.386 ( -0.795 0.518 -2.715) 2.877 3.448 ( -5.006 -2.133 6.253) 8.289 3.610 ( 9.162 -6.510 1.979) 11.412 3.661 ( 1.978 -6.929 -0.995) 7.274 3.943 ( 1.217 -1.533 -4.425) 4.838 4.004 ( 4.233 -0.023 1.069) 4.366 4.031 ( -1.105 1.883 4.449) 4.956 4.295 ( 5.487 -1.618 5.821) 8.161 4.430 ( -4.848 2.304 -3.414) 6.361 4.542 ( -7.471 -1.599 -3.860) 8.560 4.811 ( 3.935 -3.558 -3.096) 6.142 4.833 ( 2.793 4.457 -2.551) 5.846 5.072 ( -6.518 1.068 3.150) 7.317 5.243 ( -4.716 0.292 -0.156) 4.728 5.290 ( -1.960 3.477 2.553) 4.738 5.362 ( -2.022 2.754 3.178) 4.666 5.428 ( -0.003 -4.528 -0.336) 4.541 5.579 ( 3.474 1.036 2.852) 4.612 5.731 ( 2.747 2.237 -4.786) 5.955 5.850 ( -2.292 1.773 0.334) 2.917 5.949 ( 3.488 3.211 0.998) 4.845 6.141 ( 4.098 -4.882 -2.455) 6.830 6.264 ( -4.238 1.368 2.969) 5.352 6.566 ( 2.044 3.036 -4.519) 5.816 6.794 ( -0.699 -0.063 -3.026) 3.107 6.859 ( 6.210 5.150 3.505) 8.796 7.573 ( -4.803 -1.296 0.357) 4.988 7.761 ( -0.112 2.614 2.154) 3.389 7.811 ( 2.629 4.724 -0.832) 5.470 7.917 ( 1.937 0.131 -3.424) 3.937 8.058 ( -3.914 2.180 2.316) 5.043 8.331 ( 3.093 -3.627 -0.236) 4.773 8.406 ( -4.469 1.428 -1.570) 4.948 8.533 ( -0.596 2.055 2.610) 3.375 8.959 ( -12.536 -1.331 5.357) 13.698 9.304 ( -8.674 -1.048 -4.054) 9.631 9.596 ( 4.020 -5.608 1.264) 7.015 9.712 ( 11.493 8.260 1.033) 14.192 9.782 ( -5.080 3.655 7.425) 9.710 10.213 ( 8.555 -4.819 -9.879) 13.929 10.738 ( 1.708 -0.340 -7.032) 7.244 10.825 ( 6.169 -3.563 2.340) 7.499 10.932 ( -5.922 -1.957 -1.983) 6.545 11.099 ( 1.318 -0.873 -3.517) 3.856 11.243 ( -2.032 -6.302 -4.437) 7.971 11.331 ( 2.735 -1.798 7.262) 7.966 11.698 ( -3.437 -0.492 4.803) 5.926 11.871 ( -4.918 2.917 0.999) 5.805 12.054 ( 5.508 5.234 -3.323) 8.293 12.160 ( 2.145 2.211 -0.273) 3.093 12.327 ( -10.074 -2.492 5.473) 11.732 12.634 ( -1.572 3.717 5.007) 6.431 12.793 ( 0.596 3.336 3.650) 4.981 12.920 ( 7.863 2.544 -9.337) 12.469 13.360 ( -4.903 13.282 4.156) 14.756 13.461 ( -2.684 4.446 -5.601) 7.638 13.687 ( -5.793 -1.972 3.334) 6.969 13.895 ( -3.687 -2.116 -2.896) 5.144 14.142 ( 6.591 -8.164 -1.058) 10.546 14.375 ( 3.725 -1.357 0.606) 4.010 14.920 ( -13.941 -1.292 0.437) 14.008 15.528 ( 1.312 -4.997 0.100) 5.168 16.755 ( 1.687 2.463 5.707) 6.440 17.421 ( 13.194 2.769 -5.530) 14.571 18.115 ( -2.527 -3.579 4.847) 6.533 18.396 ( 5.140 -2.190 -5.905) 8.129 21.008 ( -4.579 1.521 4.128) 6.350 21.266 ( 3.974 0.544 -5.165) 6.539 21.613 ( -2.109 1.481 1.039) 2.779 21.716 ( 2.179 1.014 1.335) 2.749 22.164 ( -1.621 2.306 -4.497) 5.307 22.270 ( 5.522 7.417 9.956) 13.588 23.010 ( -7.517 -3.146 -0.285) 8.154 23.153 ( -2.680 -6.686 -3.979) 8.229 23.533 ( -3.624 -8.596 -0.820) 9.365 23.619 ( -4.679 -5.762 0.588) 7.446 23.820 ( 0.556 1.115 -0.935) 1.558 23.978 ( -2.341 -0.133 -0.330) 2.368 24.004 ( 6.039 2.996 -1.062) 6.824 24.073 ( 1.039 -2.601 0.553) 2.855 24.262 ( -1.356 -0.278 -1.098) 1.767 24.508 ( 10.145 9.119 1.925) 13.776 ======================= Grid point 170 (75/140) ======================= q-point: (-0.56 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -2.112 -1.836 12.714) 13.018 1.908 ( -2.404 0.177 2.396) 3.398 2.046 ( 1.786 -4.208 -0.227) 4.577 2.260 ( -4.452 -2.987 -3.606) 6.461 2.359 ( 0.871 -3.554 -8.449) 9.208 2.407 ( 3.784 1.607 0.742) 4.178 2.551 ( -6.792 2.404 -12.659) 14.565 2.650 ( 5.687 4.899 2.565) 7.932 2.759 ( -5.697 2.622 1.625) 6.478 2.788 ( 3.172 -0.518 -1.429) 3.517 2.958 ( 1.076 -3.979 0.572) 4.162 3.083 ( -1.019 -1.670 1.629) 2.546 3.164 ( 0.638 -0.741 2.448) 2.636 3.269 ( 0.186 -1.609 0.531) 1.705 3.335 ( -2.079 -2.036 -2.393) 3.767 3.499 ( -2.349 -1.294 2.813) 3.886 3.758 ( 1.398 -4.219 -1.892) 4.831 3.863 ( 12.480 -5.846 0.030) 13.782 3.977 ( 5.893 0.270 -3.181) 6.702 4.005 ( -3.063 1.958 3.809) 5.265 4.045 ( -0.256 -1.896 5.531) 5.853 4.326 ( 2.576 3.288 5.517) 6.919 4.375 ( -2.839 1.259 0.717) 3.187 4.516 ( -3.848 -3.387 -3.032) 5.956 4.740 ( -0.587 4.663 -4.799) 6.717 4.888 ( 0.192 -6.246 -7.091) 9.452 5.062 ( -7.223 -3.223 4.235) 8.972 5.141 ( -0.522 4.585 -4.715) 6.598 5.265 ( -1.073 0.899 4.261) 4.485 5.339 ( -0.046 1.443 4.626) 4.846 5.527 ( 2.153 -2.579 2.609) 4.253 5.600 ( 0.604 -0.043 1.787) 1.887 5.721 ( -0.035 -1.879 -3.514) 3.985 5.785 ( -2.757 4.318 3.008) 5.941 5.922 ( 3.365 0.898 -3.165) 4.706 6.229 ( 2.001 -3.560 -2.300) 4.687 6.249 ( -5.027 -1.772 3.768) 6.528 6.518 ( 2.593 2.461 -2.023) 4.108 6.753 ( 1.302 2.028 -5.961) 6.430 6.899 ( 6.521 -0.467 6.434) 9.173 7.581 ( -2.542 -3.079 -1.003) 4.117 7.721 ( 1.103 2.522 0.631) 2.824 7.726 ( 0.212 4.833 -0.199) 4.842 7.916 ( -1.210 0.507 -0.167) 1.323 8.023 ( -1.431 -1.108 -1.378) 2.275 8.334 ( -3.192 1.898 0.910) 3.823 8.414 ( 1.268 -2.302 0.495) 2.674 8.482 ( -3.997 2.027 2.244) 5.012 8.927 ( -2.797 1.882 4.970) 6.006 9.281 ( -8.936 -7.059 -5.971) 12.858 9.656 ( -0.009 5.308 -2.619) 5.919 9.681 ( 3.324 8.316 8.624) 12.433 9.723 ( 2.927 -4.238 0.955) 5.238 10.339 ( 12.563 -4.232 -6.466) 14.749 10.708 ( -0.199 1.350 -5.184) 5.360 10.861 ( -3.193 -1.043 -4.693) 5.771 10.969 ( 4.461 -1.780 3.150) 5.744 11.131 ( 0.937 -2.516 -0.247) 2.696 11.283 ( -0.756 -1.475 -4.976) 5.245 11.409 ( -1.577 -2.481 4.610) 5.467 11.635 ( -4.623 3.391 4.106) 7.052 11.865 ( -1.901 -2.876 -0.807) 3.541 11.952 ( 5.371 6.676 -6.249) 10.605 12.124 ( -2.558 2.043 5.093) 6.054 12.393 ( -2.871 -5.380 4.639) 7.662 12.600 ( -1.421 2.322 7.776) 8.239 12.737 ( -0.575 2.663 -2.138) 3.463 12.913 ( 1.750 1.462 -4.126) 4.714 13.147 ( -0.366 6.088 -2.832) 6.725 13.375 ( 1.651 4.069 -0.893) 4.481 13.714 ( -1.856 -1.793 3.232) 4.136 13.885 ( -1.997 -0.747 -2.341) 3.166 14.297 ( 3.510 -5.340 -1.002) 6.469 14.419 ( 0.905 -1.294 0.819) 1.779 14.841 ( -8.035 0.323 0.448) 8.054 15.603 ( 1.497 -2.085 1.330) 2.891 16.757 ( -1.596 -0.033 4.805) 5.063 17.437 ( 7.215 0.815 -6.058) 9.456 18.171 ( -2.624 -2.789 4.711) 6.071 18.429 ( 4.300 -0.717 -5.849) 7.295 20.968 ( -4.436 1.297 4.211) 6.252 21.250 ( 3.456 1.317 -5.298) 6.462 21.593 ( -1.795 0.225 1.276) 2.214 21.739 ( 1.818 -0.809 1.221) 2.334 22.103 ( 0.553 4.093 -2.427) 4.791 22.236 ( 5.236 3.891 6.664) 9.326 22.993 ( -7.502 -2.796 -2.578) 8.411 23.202 ( -2.283 -3.475 -3.656) 5.537 23.650 ( -0.730 -6.437 1.788) 6.721 23.668 ( -2.102 -3.256 -0.081) 3.876 23.800 ( 0.040 1.470 -0.262) 1.494 23.946 ( -1.217 2.643 -1.920) 3.486 23.984 ( 2.943 2.094 -0.032) 3.613 24.127 ( 0.186 -2.654 0.475) 2.702 24.272 ( -0.062 -1.505 0.293) 1.535 24.446 ( 4.819 5.551 1.527) 7.507 ======================= Grid point 171 (76/140) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( -12.027 5.171 13.072) 18.500 1.803 ( -2.653 11.530 4.004) 12.491 2.066 ( 2.535 3.592 5.012) 6.667 2.279 ( -4.794 -0.549 -5.468) 7.292 2.301 ( -0.449 5.703 -3.297) 6.603 2.337 ( 1.393 4.056 -6.682) 7.940 2.476 ( 5.566 2.115 -6.377) 8.724 2.619 ( 4.438 4.473 3.779) 7.347 2.695 ( -2.068 1.478 1.331) 2.870 2.849 ( 2.196 -4.367 -2.906) 5.687 2.997 ( -0.102 -2.752 -5.761) 6.386 3.096 ( 3.142 4.808 6.089) 8.371 3.193 ( 2.190 0.746 3.441) 4.146 3.248 ( -5.599 -0.242 0.182) 5.607 3.427 ( 1.246 -7.060 -3.413) 7.940 3.478 ( -1.456 2.192 1.836) 3.209 3.789 ( -2.182 2.019 1.812) 3.481 3.882 ( -0.584 2.897 -6.327) 6.983 3.933 ( 7.201 6.973 2.674) 10.374 4.037 ( 1.187 -2.183 1.100) 2.718 4.128 ( 0.829 -2.812 3.327) 4.434 4.234 ( -1.630 5.836 5.992) 8.522 4.402 ( -2.053 0.661 -1.890) 2.868 4.544 ( 3.910 -2.633 -0.554) 4.746 4.664 ( 0.538 1.075 -2.545) 2.815 4.905 ( -6.543 -1.802 -8.482) 10.863 5.078 ( -2.535 -2.851 0.201) 3.821 5.116 ( 2.701 -1.533 0.346) 3.125 5.277 ( -0.809 -0.976 4.229) 4.414 5.349 ( 1.679 1.315 4.790) 5.243 5.534 ( 0.374 3.051 0.666) 3.145 5.614 ( -2.662 -0.789 3.240) 4.267 5.726 ( -0.242 -0.515 -5.636) 5.665 5.758 ( -2.869 -3.377 3.964) 5.946 5.945 ( 3.885 -1.721 -5.830) 7.214 6.251 ( -4.686 -0.471 3.680) 5.977 6.282 ( 0.445 -3.320 -1.394) 3.628 6.503 ( 0.524 0.840 0.880) 1.325 6.707 ( 2.212 1.427 -6.407) 6.927 6.990 ( 4.250 -1.639 3.048) 5.481 7.611 ( 1.096 -1.967 -2.478) 3.348 7.694 ( -1.948 -2.327 0.625) 3.099 7.739 ( 3.751 -2.641 0.210) 4.592 7.879 ( -3.786 0.935 0.567) 3.941 8.065 ( 1.736 -4.566 -2.981) 5.723 8.304 ( -3.737 -0.459 2.968) 4.794 8.384 ( -4.845 3.258 2.314) 6.280 8.494 ( 2.606 -1.289 1.507) 3.275 8.905 ( 1.703 2.707 5.041) 5.970 9.299 ( -3.056 -2.125 -7.492) 8.366 9.537 ( -6.936 1.867 3.568) 8.020 9.641 ( 8.346 7.501 4.236) 11.994 9.799 ( -3.003 -4.116 1.424) 5.290 10.445 ( 13.752 0.476 -8.562) 16.206 10.635 ( -3.485 2.679 -3.562) 5.658 10.849 ( -0.183 -1.396 -1.913) 2.376 11.012 ( 0.678 1.215 1.885) 2.343 11.159 ( 0.450 0.208 -1.436) 1.520 11.224 ( 1.404 4.180 -5.320) 6.910 11.435 ( -4.498 -1.225 8.029) 9.284 11.633 ( -1.414 -2.240 -0.266) 2.662 11.847 ( 4.360 1.599 -1.816) 4.986 11.942 ( 0.576 -3.312 -3.867) 5.124 12.104 ( -4.023 0.847 6.630) 7.801 12.457 ( 0.248 -0.776 3.292) 3.391 12.579 ( 1.249 5.139 6.115) 8.085 12.741 ( -0.147 -6.199 -1.256) 6.327 12.828 ( -9.652 1.752 1.339) 9.901 13.153 ( 9.028 -2.561 -6.803) 11.591 13.345 ( 4.275 2.042 1.296) 4.912 13.743 ( 0.002 -0.980 2.137) 2.351 13.867 ( 0.821 1.249 -1.740) 2.294 14.346 ( -1.698 -0.698 -2.895) 3.428 14.423 ( -4.322 0.289 1.120) 4.474 14.818 ( 3.342 0.384 1.253) 3.589 15.624 ( 2.158 2.049 0.673) 3.051 16.786 ( -5.966 -4.529 3.887) 8.439 17.454 ( 0.458 -2.747 -6.014) 6.628 18.212 ( -2.679 -2.186 3.064) 4.620 18.428 ( 3.490 1.042 -6.174) 7.168 20.949 ( -3.522 -0.428 4.944) 6.085 21.232 ( 2.995 0.842 -5.004) 5.892 21.585 ( -1.094 0.209 2.298) 2.553 21.764 ( 0.449 -0.030 0.251) 0.516 22.004 ( -0.704 6.126 1.267) 6.295 22.314 ( 8.210 -3.578 3.842) 9.745 22.970 ( -4.957 -1.714 -3.142) 6.113 23.205 ( 0.341 0.098 -2.770) 2.792 23.667 ( -0.346 2.561 0.046) 2.584 23.732 ( -0.620 -0.974 -0.201) 1.172 23.776 ( -0.385 0.796 0.702) 1.130 23.866 ( 1.500 3.762 -0.675) 4.106 23.994 ( -2.840 -2.844 0.091) 4.020 24.159 ( -0.696 -1.407 -1.007) 1.865 24.292 ( 0.772 0.383 0.079) 0.865 24.428 ( -0.087 -0.744 1.857) 2.003 ======================= Grid point 172 (77/140) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.553 ( -5.749 16.252 12.850) 21.502 1.569 ( -12.137 11.239 13.245) 21.190 1.994 ( -1.311 13.013 10.477) 16.758 2.059 ( -2.676 13.364 -3.318) 14.027 2.190 ( -1.070 3.403 -9.009) 9.689 2.301 ( 8.924 5.556 -5.362) 11.801 2.478 ( 4.454 -0.154 -1.938) 4.860 2.593 ( 1.572 4.298 3.816) 5.959 2.720 ( 3.780 -2.643 2.221) 5.120 2.877 ( 0.727 1.990 -2.080) 2.969 2.992 ( -4.033 4.099 -2.836) 6.412 3.007 ( 4.575 8.209 1.271) 9.483 3.136 ( 0.050 3.711 1.086) 3.867 3.258 ( -3.906 -1.927 1.173) 4.511 3.412 ( -7.301 6.169 4.030) 10.373 3.475 ( -0.510 -1.072 -1.021) 1.566 3.725 ( 2.946 -1.375 -1.859) 3.745 3.868 ( -0.916 -2.958 -7.280) 7.912 3.915 ( 6.293 3.027 3.504) 7.813 4.038 ( 4.227 3.814 -3.193) 6.528 4.154 ( -0.062 -1.173 -1.019) 1.555 4.234 ( -2.603 1.327 4.739) 5.567 4.275 ( -2.901 4.421 -0.269) 5.294 4.638 ( 6.029 -2.066 0.226) 6.377 4.681 ( 0.199 -1.348 0.712) 1.538 4.846 ( -4.816 -3.024 -6.310) 8.494 5.091 ( -3.212 -1.564 -0.424) 3.598 5.187 ( 6.613 -0.987 2.615) 7.180 5.332 ( -2.364 -3.357 1.927) 4.536 5.358 ( 0.013 0.751 5.389) 5.441 5.485 ( -2.590 0.921 0.729) 2.844 5.619 ( -1.555 -2.170 0.105) 2.672 5.702 ( 2.472 0.594 -5.055) 5.658 5.817 ( -1.724 -1.026 0.358) 2.038 5.960 ( -2.784 -3.380 -4.257) 6.107 6.213 ( -1.511 3.844 -0.300) 4.141 6.367 ( -0.467 -6.995 0.673) 7.043 6.509 ( -0.253 -0.781 4.791) 4.861 6.675 ( 2.797 0.932 -7.171) 7.753 7.021 ( 1.395 1.286 -1.375) 2.343 7.650 ( 1.775 -3.035 -3.785) 5.166 7.759 ( -3.198 -5.441 1.475) 6.481 7.833 ( 2.108 -3.954 -1.842) 4.845 7.860 ( 0.334 -1.917 0.397) 1.986 8.151 ( 1.732 -3.964 -1.399) 4.546 8.285 ( -5.370 3.697 1.491) 6.688 8.320 ( 0.851 0.222 2.823) 2.957 8.545 ( 1.063 -2.032 2.065) 3.086 8.917 ( 4.073 2.604 10.355) 11.427 9.244 ( 7.350 3.043 -7.807) 11.146 9.548 ( -6.419 -2.263 4.313) 8.058 9.580 ( 0.993 3.522 3.374) 4.978 9.832 ( -7.089 -3.475 2.271) 8.215 10.426 ( 9.687 6.773 -8.509) 14.564 10.562 ( -1.382 0.923 -5.560) 5.803 10.851 ( -1.257 1.787 0.245) 2.199 10.996 ( 2.150 1.622 5.167) 5.827 11.112 ( 4.475 6.076 -6.216) 9.776 11.160 ( 0.853 0.509 -5.652) 5.738 11.481 ( -7.615 -4.945 8.117) 12.179 11.624 ( 0.635 1.999 1.142) 2.388 11.903 ( 3.956 -2.778 -1.365) 5.023 12.007 ( 2.065 -6.028 -2.847) 6.979 12.086 ( -5.347 0.675 5.080) 7.406 12.462 ( 4.047 3.823 4.866) 7.394 12.530 ( 1.443 2.834 0.415) 3.207 12.766 ( -9.839 -1.619 3.928) 10.717 12.917 ( 1.428 -12.725 4.126) 13.454 13.234 ( 5.718 -3.767 -7.902) 10.456 13.387 ( 7.097 -0.143 3.950) 8.123 13.768 ( 2.221 -0.192 0.546) 2.295 13.840 ( 4.347 3.496 -1.105) 5.687 14.251 ( -6.448 5.991 -4.502) 9.886 14.390 ( -5.818 -1.336 0.594) 5.999 14.871 ( 10.393 1.389 1.986) 10.672 15.570 ( 2.994 6.576 -1.038) 7.299 16.852 ( -9.810 -8.456 2.360) 13.165 17.474 ( -7.601 -5.765 -5.520) 11.022 18.225 ( -3.394 -1.114 -0.649) 3.630 18.392 ( 3.051 2.373 -6.664) 7.704 20.984 ( -2.333 -3.057 6.689) 7.716 21.216 ( 2.697 0.874 -5.263) 5.978 21.602 ( 0.183 -1.262 3.903) 4.106 21.733 ( -1.590 2.472 -1.433) 3.270 21.934 ( -0.274 3.491 5.571) 6.580 22.496 ( 8.276 -8.291 1.899) 11.868 22.944 ( -2.440 -0.442 -3.268) 4.102 23.194 ( 6.826 2.984 -0.166) 7.452 23.556 ( -1.319 9.088 -1.158) 9.255 23.676 ( 0.538 3.443 -4.746) 5.888 23.776 ( -1.240 -0.350 1.730) 2.157 23.869 ( 1.841 0.365 3.926) 4.352 24.023 ( -5.319 -3.940 -0.564) 6.643 24.138 ( -2.502 2.066 -3.290) 4.620 24.276 ( -0.039 0.660 -1.213) 1.382 24.478 ( -3.782 -4.918 2.674) 6.756 ======================= Grid point 173 (78/140) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.282 ( -1.805 20.107 14.610) 24.920 1.343 ( -10.429 14.180 17.588) 24.883 1.662 ( -12.219 20.915 17.366) 29.804 1.896 ( 5.779 12.022 5.431) 14.402 2.092 ( -1.003 2.501 -8.907) 9.305 2.216 ( 10.907 8.699 -11.827) 18.290 2.474 ( 4.506 8.858 -0.973) 9.985 2.530 ( -2.653 3.430 8.682) 9.705 2.759 ( -0.983 3.822 2.045) 4.445 2.806 ( -0.361 7.879 0.668) 7.916 2.852 ( 0.044 5.221 1.311) 5.383 2.928 ( 1.463 -1.155 -0.408) 1.908 3.109 ( -0.548 0.511 -1.904) 2.046 3.252 ( -2.134 0.918 2.484) 3.401 3.284 ( -3.276 2.503 3.084) 5.149 3.539 ( 1.505 -5.346 -1.223) 5.687 3.730 ( -0.209 0.967 -7.640) 7.703 3.903 ( 2.157 1.126 -0.170) 2.439 3.924 ( 2.575 4.425 -8.178) 9.649 3.974 ( 1.742 -3.804 -4.353) 6.038 4.056 ( -3.523 3.031 -1.748) 4.965 4.260 ( -2.212 -3.487 3.194) 5.221 4.300 ( 3.152 -0.586 4.003) 5.129 4.642 ( 0.066 4.404 3.497) 5.625 4.730 ( 4.851 -3.939 -4.554) 7.732 4.868 ( -6.910 -4.501 -1.982) 8.481 5.104 ( 2.900 0.037 -0.020) 2.900 5.275 ( 1.051 1.495 3.409) 3.868 5.277 ( -2.703 -0.439 1.163) 2.975 5.421 ( 0.987 -5.925 5.847) 8.383 5.549 ( -0.448 -7.183 -0.343) 7.205 5.642 ( -1.682 -2.081 -1.000) 2.856 5.725 ( 7.769 0.946 -5.746) 9.709 5.779 ( -3.145 -1.410 -1.032) 3.597 5.971 ( -6.430 -2.275 1.167) 6.920 6.109 ( -1.773 4.828 -1.417) 5.335 6.445 ( -6.358 -2.380 1.101) 6.878 6.594 ( 5.518 -3.255 6.604) 9.201 6.659 ( 6.146 -0.077 -9.805) 11.572 6.956 ( 0.229 5.967 -2.247) 6.380 7.676 ( -1.741 -1.113 -2.261) 3.063 7.807 ( 0.085 -2.512 -1.221) 2.795 7.877 ( -1.451 -2.292 -2.883) 3.959 7.926 ( 2.273 -3.006 -3.279) 4.996 8.163 ( 0.212 3.673 -0.215) 3.685 8.189 ( -2.653 2.795 0.732) 3.923 8.357 ( 2.512 -0.736 3.370) 4.267 8.576 ( -1.721 -0.298 0.465) 1.808 9.004 ( 8.000 -1.007 14.060) 16.208 9.297 ( 11.455 -3.801 -2.784) 12.386 9.457 ( 1.057 6.394 2.388) 6.907 9.650 ( -8.510 -8.070 3.204) 12.157 9.829 ( -9.219 -2.312 2.401) 9.803 10.329 ( 8.663 8.181 -8.509) 14.642 10.517 ( -1.919 0.773 -3.259) 3.861 10.797 ( -0.634 3.158 1.085) 3.399 10.965 ( 1.660 5.484 -0.033) 5.730 11.061 ( 7.069 2.161 -3.762) 8.295 11.142 ( 1.540 -0.026 -4.234) 4.505 11.505 ( -8.536 -2.855 -3.479) 9.649 11.668 ( 1.129 -3.946 11.859) 12.549 11.957 ( -1.437 -4.148 -2.969) 5.299 12.040 ( -4.750 1.920 2.899) 5.887 12.127 ( 5.204 -4.300 -1.512) 6.918 12.451 ( 5.628 3.419 3.539) 7.476 12.539 ( 1.469 -1.113 4.624) 4.978 12.760 ( -7.648 -3.170 3.814) 9.115 13.187 ( 0.535 -13.138 -4.179) 13.797 13.297 ( 3.913 -4.646 2.330) 6.506 13.481 ( 9.803 -0.898 6.968) 12.060 13.778 ( 2.233 1.392 -1.380) 2.971 13.809 ( 10.388 6.534 -0.662) 12.290 14.049 ( -7.080 7.405 -3.929) 10.972 14.392 ( -5.167 -4.351 -0.697) 6.790 14.925 ( 10.698 3.754 3.419) 11.842 15.441 ( 4.267 10.929 -3.295) 12.186 16.932 ( -11.603 -9.954 0.190) 15.288 17.458 ( -17.399 -6.261 -6.913) 19.742 18.170 ( -6.468 2.631 -3.765) 7.933 18.338 ( 3.184 2.777 -7.217) 8.363 21.067 ( -1.999 -4.252 6.331) 7.884 21.194 ( 3.347 1.270 -5.511) 6.572 21.671 ( -1.060 -3.315 1.561) 3.814 21.693 ( 0.657 -1.534 4.714) 5.000 21.922 ( 0.418 2.389 8.303) 8.650 22.690 ( -1.084 -10.437 -4.642) 11.475 22.920 ( 0.271 0.684 -2.096) 2.222 23.229 ( 15.314 3.835 -0.048) 15.787 23.378 ( 2.884 9.848 -0.454) 10.271 23.613 ( 4.390 3.566 -2.957) 6.382 23.779 ( -3.140 -0.608 2.624) 4.137 23.894 ( 1.139 0.439 4.261) 4.433 23.978 ( -10.253 4.490 -5.257) 12.366 24.055 ( -3.050 -0.083 -0.743) 3.140 24.271 ( -0.355 -0.806 -1.068) 1.384 24.537 ( -6.615 -4.866 2.460) 8.572 ======================= Grid point 174 (79/140) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 1.927 22.782 14.667) 27.164 1.172 ( -10.564 8.563 24.417) 27.948 1.427 ( -3.593 11.555 31.586) 33.825 1.762 ( 3.132 11.422 4.303) 12.601 2.003 ( 0.923 3.176 -10.284) 10.803 2.096 ( 10.205 6.227 -8.543) 14.694 2.317 ( 3.441 8.325 -3.592) 9.698 2.485 ( -7.894 2.791 8.565) 11.978 2.657 ( -1.481 5.795 -3.698) 7.033 2.708 ( -1.972 4.155 7.559) 8.848 2.824 ( 1.876 -0.041 8.544) 8.748 2.965 ( -4.133 -1.292 -10.621) 11.470 3.104 ( 2.027 -0.813 -1.778) 2.816 3.229 ( -0.570 0.390 -1.961) 2.079 3.291 ( 1.209 -0.369 6.734) 6.852 3.627 ( 5.695 -2.005 -3.428) 6.943 3.706 ( -1.138 -3.735 -4.306) 5.813 3.777 ( -3.243 1.140 -7.538) 8.285 3.916 ( 3.989 3.941 2.309) 6.064 3.963 ( 3.608 2.765 -8.544) 9.678 4.105 ( -2.979 -7.067 0.403) 7.680 4.263 ( -9.823 -1.953 -0.647) 10.036 4.352 ( 5.294 0.698 2.495) 5.894 4.589 ( 0.016 3.708 5.926) 6.991 4.811 ( 0.932 -0.106 -3.331) 3.460 4.850 ( -0.841 -3.759 -2.897) 4.820 5.104 ( -4.810 0.385 1.916) 5.192 5.183 ( -2.908 2.083 1.044) 3.727 5.402 ( 10.836 -2.437 -2.254) 11.333 5.586 ( -2.173 -6.287 4.345) 7.946 5.611 ( 0.706 -1.282 -5.909) 6.088 5.679 ( -6.708 -5.502 3.325) 9.291 5.724 ( 4.855 -2.467 -0.854) 5.512 5.825 ( 0.156 -3.095 -3.285) 4.516 5.965 ( -4.485 -0.113 5.798) 7.331 6.112 ( 4.848 -6.030 3.587) 8.528 6.385 ( -7.441 2.190 4.070) 8.760 6.631 ( 6.944 5.434 -6.641) 11.039 6.711 ( 8.877 0.658 -1.445) 9.018 6.826 ( 0.195 5.902 -2.469) 6.401 7.652 ( -3.204 -0.054 -1.359) 3.481 7.823 ( -0.020 0.288 -2.417) 2.434 7.846 ( -2.360 1.216 -4.312) 5.064 7.958 ( 3.948 -0.919 -5.621) 6.930 8.082 ( 1.480 4.196 1.230) 4.617 8.161 ( -2.069 0.698 0.875) 2.353 8.401 ( 2.342 -0.319 3.326) 4.081 8.533 ( -3.545 2.139 0.223) 4.147 9.183 ( 6.643 -5.292 12.402) 15.032 9.415 ( 0.560 1.864 3.886) 4.346 9.489 ( 10.909 -8.278 0.783) 13.716 9.705 ( -2.567 -1.623 0.787) 3.137 9.805 ( -12.000 -3.647 1.529) 12.634 10.183 ( 3.796 10.038 -8.940) 13.968 10.482 ( -1.781 1.153 3.135) 3.786 10.754 ( 0.981 2.005 -1.065) 2.473 10.927 ( 4.745 1.246 -2.225) 5.387 11.050 ( 5.198 1.721 -6.388) 8.414 11.146 ( 1.890 -0.017 0.143) 1.895 11.451 ( -7.161 -0.811 -4.919) 8.726 11.822 ( -2.220 -7.763 5.960) 10.036 11.950 ( -9.659 -0.403 0.303) 9.673 12.020 ( -1.291 -0.880 0.972) 1.840 12.187 ( 3.755 -0.169 -3.252) 4.970 12.481 ( 0.246 0.845 9.360) 9.401 12.606 ( 3.073 -2.141 4.217) 5.640 12.796 ( -2.982 -4.283 2.399) 5.744 13.173 ( 2.183 3.768 -12.295) 13.043 13.476 ( 1.850 -5.570 2.082) 6.227 13.663 ( 0.205 0.790 -0.017) 0.816 13.706 ( 3.166 2.410 2.909) 4.930 13.814 ( 14.372 1.937 2.180) 14.665 14.014 ( 11.797 -7.238 5.514) 14.899 14.456 ( -3.853 -7.633 -1.965) 8.774 14.930 ( 6.638 5.874 5.708) 10.543 15.244 ( 5.638 14.231 -4.822) 16.049 17.003 ( -15.161 -10.356 -1.199) 18.400 17.304 ( -24.027 1.620 -11.207) 26.562 18.018 ( -8.517 6.311 3.063) 11.034 18.289 ( 3.961 1.856 -7.570) 8.742 21.117 ( -2.921 -1.523 1.479) 3.611 21.177 ( 3.992 1.319 -4.953) 6.497 21.728 ( -0.677 -4.666 4.677) 6.641 21.851 ( 2.690 -9.908 2.184) 10.497 21.934 ( 1.994 2.897 12.142) 12.642 22.739 ( -11.745 -6.462 -12.676) 18.450 22.915 ( 1.721 0.081 -0.255) 1.742 23.134 ( -4.085 6.519 -5.162) 9.264 23.370 ( 9.924 6.083 -3.410) 12.129 23.555 ( -1.127 7.672 -7.152) 10.549 23.758 ( 2.680 -0.107 3.732) 4.596 23.870 ( 6.968 0.101 9.839) 12.057 23.926 ( 2.106 0.402 4.265) 4.773 24.035 ( -3.830 -0.668 -1.783) 4.278 24.294 ( 3.462 -1.341 0.713) 3.780 24.551 ( -9.141 -2.650 1.308) 9.606 ======================= Grid point 176 (80/140) ======================= q-point: ( 0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -5.032 -0.000 20.187) 20.805 1.249 ( 12.226 0.000 17.277) 21.165 1.347 ( -1.551 -0.000 -11.551) 11.655 1.882 ( -3.542 -0.000 -4.949) 6.086 2.125 ( -3.451 -0.000 -19.641) 19.942 2.192 ( 2.570 0.000 7.422) 7.854 2.266 ( 11.679 0.000 28.553) 30.849 2.411 ( 3.236 0.000 2.936) 4.370 2.486 ( 6.100 0.000 -17.887) 18.899 2.654 ( 1.464 0.000 -1.470) 2.075 2.775 ( -5.381 -0.000 8.389) 9.967 3.038 ( 2.870 0.000 12.362) 12.691 3.090 ( 0.720 0.000 -9.406) 9.433 3.091 ( -5.563 -0.000 -5.956) 8.150 3.396 ( -1.644 -0.000 4.683) 4.963 3.585 ( -3.755 -0.000 -6.289) 7.325 3.671 ( -1.347 -0.000 -2.400) 2.752 3.742 ( 2.420 0.000 -3.193) 4.006 3.857 ( -6.693 -0.000 -2.868) 7.282 3.948 ( 2.800 0.000 -6.878) 7.426 4.147 ( 1.931 0.000 4.179) 4.604 4.155 ( 2.686 0.000 12.071) 12.367 4.439 ( -12.147 -0.000 -6.923) 13.981 4.533 ( 1.368 0.000 8.086) 8.201 4.811 ( 5.410 0.000 -2.503) 5.961 4.891 ( 2.436 0.000 -8.163) 8.519 5.046 ( 0.749 0.000 7.496) 7.534 5.168 ( -4.656 -0.000 0.870) 4.736 5.421 ( -4.922 -0.000 -5.013) 7.026 5.450 ( -0.311 -0.000 -3.881) 3.894 5.643 ( -4.987 -0.000 2.374) 5.523 5.683 ( 4.531 0.000 1.571) 4.796 5.867 ( 6.313 0.000 0.677) 6.349 5.962 ( -7.304 -0.000 11.416) 13.553 5.998 ( 8.216 0.000 -4.420) 9.329 6.240 ( -4.412 -0.000 8.565) 9.635 6.350 ( -1.409 -0.000 -11.487) 11.574 6.535 ( -4.847 -0.000 5.681) 7.468 6.659 ( 2.438 0.000 -8.351) 8.700 6.976 ( 15.309 0.000 -10.428) 18.523 7.602 ( -0.972 -0.000 2.799) 2.963 7.734 ( 1.014 0.000 -5.262) 5.358 7.776 ( -1.702 -0.000 2.208) 2.788 7.994 ( 4.766 0.000 -6.189) 7.812 8.103 ( -1.162 -0.000 -2.236) 2.520 8.150 ( 2.755 0.000 2.173) 3.508 8.421 ( -4.480 -0.000 0.382) 4.496 8.503 ( 2.430 0.000 3.590) 4.335 9.263 ( -25.910 -0.000 5.335) 26.454 9.308 ( -9.428 -0.000 2.328) 9.711 9.538 ( 2.849 0.000 1.390) 3.170 9.807 ( 0.454 0.000 7.732) 7.746 9.905 ( 8.232 0.000 3.187) 8.827 9.986 ( 3.403 0.000 -10.650) 11.180 10.600 ( 5.192 0.000 5.164) 7.323 10.745 ( 3.962 0.000 -5.376) 6.678 10.916 ( -5.178 -0.000 -8.731) 10.151 10.968 ( 1.219 0.000 -3.170) 3.396 11.222 ( -7.368 -0.000 -3.257) 8.055 11.270 ( 4.444 0.000 6.963) 8.260 11.670 ( -10.623 -0.000 8.594) 13.664 11.963 ( 1.054 0.000 5.045) 5.153 12.004 ( -3.022 -0.000 4.062) 5.063 12.165 ( -1.078 -0.000 -3.954) 4.099 12.568 ( 3.093 0.000 6.617) 7.304 12.797 ( -2.521 -0.000 2.372) 3.461 12.857 ( 8.145 0.000 3.512) 8.870 13.093 ( 8.142 0.000 -15.078) 17.136 13.361 ( -12.221 -0.000 0.711) 12.241 13.631 ( 1.851 0.000 0.411) 1.896 13.797 ( 3.383 0.000 0.207) 3.390 13.885 ( 3.142 0.000 -6.014) 6.785 14.277 ( -15.602 -0.000 -7.493) 17.308 14.458 ( -2.485 -0.000 2.137) 3.277 14.956 ( -7.420 -0.000 -2.664) 7.883 15.012 ( -11.032 -0.000 1.997) 11.211 16.821 ( 13.947 0.000 5.460) 14.978 17.405 ( 22.423 0.000 -0.343) 22.425 17.934 ( -3.842 -0.000 8.979) 9.767 18.289 ( 6.318 0.000 -6.910) 9.363 21.051 ( -3.418 -0.000 -0.071) 3.418 21.203 ( 4.586 0.000 -2.704) 5.323 21.806 ( -3.343 -0.000 4.025) 5.232 21.921 ( -2.015 -0.000 -2.498) 3.210 22.283 ( 8.211 0.000 16.886) 18.776 22.349 ( -8.928 -0.000 -9.106) 12.753 22.840 ( -7.467 -0.000 -0.135) 7.468 23.003 ( 4.957 0.000 2.165) 5.409 23.156 ( -5.915 -0.000 7.688) 9.700 23.390 ( -5.630 -0.000 -5.686) 8.002 23.884 ( -2.555 -0.000 -4.407) 5.094 23.924 ( 2.606 0.000 5.700) 6.268 24.021 ( 1.347 0.000 0.835) 1.584 24.057 ( -0.089 -0.000 -4.691) 4.692 24.327 ( -7.155 -0.000 -3.740) 8.073 24.788 ( 22.816 0.000 -3.626) 23.103 ======================= Grid point 177 (81/140) ======================= q-point: ( 0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.308 ( -1.458 -12.389 6.613) 14.119 1.399 ( 4.605 -6.877 -2.743) 8.719 1.536 ( 9.449 -10.899 13.565) 19.801 1.891 ( -5.553 -8.079 -5.027) 11.017 2.047 ( -7.815 -8.066 -19.471) 22.478 2.265 ( 0.564 -4.296 7.846) 8.963 2.408 ( -0.309 -4.529 0.854) 4.619 2.512 ( 11.024 -3.645 -4.682) 12.520 2.597 ( 8.919 -5.383 5.955) 11.999 2.704 ( -0.550 -3.364 2.621) 4.300 2.816 ( -1.987 -4.370 6.898) 8.404 3.008 ( -5.225 1.428 -6.364) 8.357 3.031 ( -2.283 -1.046 -9.134) 9.473 3.148 ( 9.081 -0.936 10.947) 14.254 3.353 ( -5.242 2.080 2.751) 6.275 3.577 ( 0.521 -2.204 -4.791) 5.299 3.612 ( -0.154 5.684 1.902) 5.996 3.667 ( -3.163 5.312 0.480) 6.201 3.817 ( -3.877 -2.317 -1.174) 4.666 3.991 ( 3.164 -4.385 -7.912) 9.584 4.120 ( -0.921 4.826 0.819) 4.980 4.228 ( 2.376 -0.054 10.993) 11.247 4.364 ( -6.952 -3.183 -5.046) 9.161 4.578 ( -1.236 -0.180 5.253) 5.399 4.801 ( 5.614 2.309 -5.437) 8.149 4.916 ( 4.466 -2.962 -3.433) 6.364 5.098 ( -2.485 -0.138 2.563) 3.572 5.127 ( -3.323 -0.965 3.037) 4.605 5.350 ( -6.294 0.966 -2.786) 6.951 5.429 ( -0.656 1.717 1.231) 2.212 5.571 ( -5.321 4.724 2.186) 7.443 5.690 ( 2.317 5.042 -0.044) 5.550 5.848 ( 0.186 4.993 1.728) 5.287 5.925 ( 9.537 0.888 0.587) 9.596 6.051 ( 1.654 2.410 -1.332) 3.212 6.143 ( -2.334 6.622 -0.403) 7.033 6.314 ( -0.788 0.381 2.341) 2.499 6.534 ( -2.571 -3.788 -1.665) 4.872 6.714 ( -2.125 -5.344 -4.396) 7.239 7.016 ( 11.241 2.335 -7.368) 13.642 7.603 ( -0.467 1.722 4.849) 5.167 7.750 ( 0.811 -2.190 -1.506) 2.779 7.809 ( 0.986 -3.488 -0.912) 3.738 7.982 ( 4.022 2.166 -4.425) 6.360 8.095 ( -0.724 -0.864 -1.803) 2.127 8.195 ( 0.647 -2.333 1.136) 2.674 8.401 ( -4.268 -1.617 -0.384) 4.580 8.543 ( 1.695 -0.564 3.107) 3.584 9.008 ( -21.300 6.377 4.845) 22.756 9.304 ( -10.828 -3.530 1.738) 11.520 9.517 ( 0.516 2.003 -2.665) 3.374 9.834 ( -0.377 1.797 9.557) 9.732 9.964 ( 6.695 -0.296 1.164) 6.802 10.010 ( 4.918 -2.295 -9.073) 10.572 10.681 ( 5.003 -2.218 2.871) 6.181 10.757 ( 5.639 -0.633 -7.448) 9.363 10.848 ( -7.263 -1.626 -4.424) 8.658 10.986 ( -0.699 -3.955 -2.780) 4.885 11.150 ( -6.137 0.757 -1.988) 6.495 11.337 ( 5.286 0.612 7.955) 9.571 11.653 ( -4.791 -0.481 7.750) 9.124 11.986 ( -3.379 1.017 4.014) 5.345 12.041 ( 0.786 -4.377 4.763) 6.516 12.124 ( -3.310 0.589 -3.468) 4.830 12.533 ( 2.553 9.539 0.599) 9.893 12.758 ( -2.642 3.203 1.769) 4.513 12.914 ( 5.923 1.988 3.311) 7.071 13.040 ( 6.267 4.157 -8.019) 10.994 13.396 ( -5.575 -10.563 -1.765) 12.074 13.609 ( -0.795 3.423 3.883) 5.237 13.831 ( 1.571 -1.194 -4.102) 4.552 13.888 ( -0.811 0.266 -9.506) 9.544 13.993 ( -9.847 10.969 -2.742) 14.994 14.402 ( -1.860 3.467 3.024) 4.962 14.816 ( -13.876 -1.551 1.732) 14.070 15.158 ( -11.052 -16.030 -1.424) 19.523 16.932 ( 18.824 5.253 3.015) 19.775 17.555 ( 20.150 3.254 2.396) 20.551 17.984 ( -2.074 -3.353 7.490) 8.464 18.320 ( 6.433 -1.629 -6.322) 9.165 21.029 ( -3.524 -0.168 1.081) 3.690 21.238 ( 4.536 -1.226 -2.955) 5.551 21.748 ( -3.470 4.838 2.816) 6.586 21.839 ( -1.277 5.124 -0.917) 5.360 22.232 ( -5.659 1.528 -8.444) 10.279 22.431 ( 8.389 0.391 16.248) 18.291 22.868 ( -5.102 -6.711 -0.468) 8.443 22.999 ( -2.484 2.538 3.162) 4.755 23.231 ( -3.035 -7.153 2.016) 8.027 23.368 ( -8.361 -7.517 -2.259) 11.468 23.853 ( 0.491 0.740 -2.396) 2.555 23.975 ( 1.804 -0.569 4.754) 5.116 24.023 ( -0.348 -0.009 -3.250) 3.269 24.033 ( 1.342 -0.199 -3.083) 3.368 24.269 ( -3.203 0.322 -1.809) 3.692 24.851 ( 17.411 7.820 -4.200) 19.543 ======================= Grid point 178 (82/140) ======================= q-point: ( 0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -1.527 -17.190 -4.388) 17.806 1.594 ( 10.794 -6.045 11.833) 17.119 1.814 ( 5.581 -8.596 7.507) 12.704 1.992 ( -4.953 -12.437 -9.583) 16.463 2.090 ( -7.136 -11.235 -14.110) 19.397 2.407 ( 6.643 -4.891 0.306) 8.255 2.499 ( -2.461 -6.224 -1.162) 6.793 2.638 ( 2.677 -7.840 0.395) 8.294 2.695 ( -5.988 -2.061 -1.871) 6.603 2.761 ( 1.946 -3.163 9.052) 9.785 2.857 ( -2.604 0.081 -6.883) 7.360 2.943 ( -2.432 -0.994 1.089) 2.844 3.031 ( -1.776 -4.087 -10.151) 11.086 3.320 ( 5.099 -4.571 1.893) 7.104 3.337 ( 0.286 1.327 9.720) 9.814 3.478 ( -3.827 4.524 8.626) 10.466 3.605 ( 5.131 -1.234 -2.044) 5.659 3.646 ( 5.092 0.558 1.280) 5.280 3.849 ( -5.122 -5.445 1.506) 7.626 3.988 ( 0.287 -0.325 -7.060) 7.074 4.116 ( 4.447 -1.426 1.527) 4.914 4.280 ( -4.495 -3.030 -0.502) 5.444 4.358 ( 0.495 -0.331 1.803) 1.899 4.547 ( -0.053 3.449 -0.649) 3.510 4.791 ( 1.887 0.839 -5.143) 5.542 4.959 ( 4.450 4.515 3.178) 7.091 5.044 ( -6.414 1.045 2.053) 6.815 5.165 ( -2.916 -4.321 -2.155) 5.641 5.302 ( -5.884 -3.052 -0.600) 6.655 5.389 ( 0.498 5.085 4.779) 6.996 5.457 ( 0.006 5.002 1.392) 5.192 5.630 ( 0.993 1.587 2.165) 2.862 5.805 ( 3.278 5.810 -4.077) 7.818 5.870 ( -1.233 4.092 -2.831) 5.126 6.043 ( 4.959 1.272 3.787) 6.369 6.109 ( 2.932 -0.719 -1.146) 3.229 6.290 ( -2.592 2.983 2.980) 4.949 6.566 ( -1.135 -1.952 -2.397) 3.293 6.745 ( -2.151 -2.970 -3.195) 4.863 7.003 ( 7.597 4.514 -1.798) 9.018 7.573 ( -1.643 3.190 3.841) 5.256 7.790 ( 0.973 -0.731 2.379) 2.672 7.863 ( 2.639 -1.691 -3.248) 4.514 7.944 ( 3.337 3.903 -2.613) 5.761 8.086 ( -1.693 1.589 1.658) 2.853 8.245 ( -1.417 -4.604 -0.855) 4.892 8.395 ( -3.241 -0.343 -0.497) 3.297 8.566 ( -0.508 0.580 2.190) 2.322 8.828 ( -16.707 -1.300 5.127) 17.524 9.253 ( -7.244 1.413 -3.265) 8.070 9.517 ( -0.284 -4.423 -3.285) 5.517 9.825 ( -0.947 3.497 6.510) 7.450 9.973 ( 10.370 7.939 4.462) 13.802 10.093 ( 3.227 -9.223 -10.274) 14.178 10.723 ( 4.888 -0.116 -8.521) 9.824 10.796 ( -4.506 -2.121 -0.390) 4.996 10.850 ( 2.290 -4.829 2.237) 5.794 11.054 ( -0.079 -5.045 -3.604) 6.201 11.099 ( -5.145 -1.904 -2.026) 5.848 11.404 ( 5.187 0.758 7.963) 9.533 11.681 ( -1.995 -1.407 6.336) 6.790 11.924 ( -3.821 5.108 2.947) 7.026 12.073 ( -5.143 -1.411 -5.240) 7.476 12.162 ( -0.500 -5.619 6.507) 8.612 12.347 ( 1.669 11.651 -3.154) 12.185 12.683 ( -2.774 3.093 -0.887) 4.249 12.893 ( 0.238 5.465 5.136) 7.503 13.004 ( 8.456 3.728 -4.394) 10.233 13.466 ( -3.518 4.008 -6.069) 8.080 13.569 ( -7.255 10.290 -5.037) 13.561 13.610 ( -1.748 -3.851 6.435) 7.701 13.830 ( -0.040 -0.875 -4.704) 4.785 14.052 ( 5.910 -7.070 -0.221) 9.217 14.380 ( -0.794 -0.120 2.550) 2.674 14.769 ( -13.623 -3.925 0.520) 14.187 15.322 ( -11.147 -13.817 -0.024) 17.752 16.956 ( 15.823 9.099 3.675) 18.619 17.605 ( 14.337 7.350 1.180) 16.154 18.063 ( -1.781 -3.536 6.135) 7.302 18.373 ( 5.836 -2.181 -5.618) 8.389 21.008 ( -4.020 0.465 2.590) 4.805 21.270 ( 3.975 -0.527 -4.474) 6.008 21.655 ( -2.091 4.247 1.918) 5.107 21.762 ( 0.089 2.804 -0.331) 2.825 22.147 ( -2.524 0.529 -6.590) 7.077 22.504 ( 7.347 7.708 12.577) 16.479 22.880 ( -9.203 -2.713 -4.316) 10.521 23.003 ( -5.392 -6.779 1.942) 8.877 23.354 ( -0.618 -9.379 -0.188) 9.402 23.463 ( -5.636 -8.528 1.356) 10.312 23.839 ( 1.005 1.217 -0.005) 1.579 23.971 ( -1.558 1.035 -1.377) 2.323 24.044 ( 0.779 -1.945 0.742) 2.223 24.052 ( 4.204 -0.790 -1.586) 4.562 24.250 ( -0.418 0.139 0.295) 0.530 24.777 ( 11.947 11.605 -3.021) 16.927 ======================= Grid point 179 (83/140) ======================= q-point: ( 0.44 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 2.138 -4.293 9.619) 10.748 1.825 ( 5.686 -10.451 1.699) 12.019 1.968 ( 0.598 -4.276 2.522) 5.000 2.131 ( -5.166 -11.097 -13.489) 18.215 2.141 ( -1.402 -8.850 -4.509) 10.031 2.472 ( 5.651 1.020 -0.264) 5.749 2.509 ( -3.011 1.783 -8.133) 8.854 2.658 ( -6.060 -3.651 -4.225) 8.240 2.771 ( 0.839 0.036 -2.136) 2.295 2.816 ( -0.504 -2.542 -1.680) 3.088 2.894 ( 2.806 -4.090 8.706) 10.019 2.983 ( -4.466 -3.838 -1.450) 6.064 3.043 ( -4.062 -8.485 0.629) 9.428 3.312 ( -0.570 3.371 -0.019) 3.419 3.324 ( -1.802 1.038 2.034) 2.909 3.509 ( 1.468 0.902 6.996) 7.205 3.702 ( 2.883 -3.272 -2.987) 5.285 3.766 ( 6.719 -9.926 3.060) 12.370 3.922 ( -3.513 -5.834 2.588) 7.286 4.038 ( 7.425 -2.899 -3.824) 8.841 4.137 ( 3.810 5.407 2.161) 6.959 4.274 ( -5.551 -6.050 -5.081) 9.656 4.394 ( -3.092 -0.145 4.601) 5.546 4.496 ( 5.129 2.607 -0.611) 5.786 4.749 ( -3.387 -0.877 -8.158) 8.876 4.863 ( 2.096 7.683 0.418) 7.975 5.003 ( -7.214 0.476 6.306) 9.594 5.177 ( 0.110 0.229 -2.174) 2.188 5.325 ( 2.004 3.539 2.071) 4.563 5.370 ( -2.650 -3.328 3.805) 5.707 5.455 ( 2.078 -3.025 2.357) 4.361 5.638 ( 0.465 2.889 2.750) 4.016 5.695 ( 0.137 0.591 -4.741) 4.780 5.838 ( -0.025 2.285 -0.976) 2.485 6.005 ( 3.704 5.789 -0.595) 6.898 6.186 ( 2.656 -3.191 1.366) 4.371 6.224 ( -4.775 1.828 3.191) 6.027 6.558 ( 0.897 0.824 -2.255) 2.563 6.748 ( -1.049 -0.314 -3.511) 3.678 6.990 ( 6.009 2.750 1.569) 6.792 7.535 ( -1.852 0.542 2.156) 2.893 7.782 ( 0.459 3.339 0.891) 3.486 7.844 ( 3.124 6.683 -1.081) 7.456 7.903 ( 0.497 -0.291 -2.033) 2.113 8.035 ( -1.475 2.905 1.969) 3.807 8.306 ( -4.152 -2.247 -1.876) 5.080 8.375 ( -0.595 -2.390 2.089) 3.230 8.503 ( -6.270 3.967 3.200) 8.080 8.879 ( -5.399 -8.821 5.913) 11.913 9.151 ( -2.921 1.550 -6.981) 7.724 9.586 ( -4.534 -5.563 -2.684) 7.662 9.769 ( 0.476 5.035 3.044) 5.903 9.928 ( 9.954 8.666 3.622) 13.686 10.246 ( 5.217 -10.181 -9.185) 14.671 10.720 ( 4.665 1.162 -6.331) 7.950 10.773 ( -7.641 -2.297 -0.109) 7.979 10.990 ( 5.113 -4.059 4.968) 8.204 11.075 ( -0.596 -2.026 -2.053) 2.945 11.152 ( -1.511 -7.536 -7.156) 10.501 11.458 ( 3.185 1.238 7.733) 8.455 11.683 ( -4.451 3.141 4.667) 7.174 11.839 ( -0.200 2.022 0.870) 2.210 12.019 ( -2.918 1.224 -7.142) 7.811 12.181 ( -5.335 4.489 4.289) 8.186 12.288 ( 2.493 -4.311 2.894) 5.759 12.620 ( -2.654 0.970 -0.568) 2.882 12.810 ( -2.093 5.919 4.917) 7.975 12.972 ( 3.681 5.155 -3.288) 7.137 13.216 ( -4.027 7.295 -8.214) 11.701 13.483 ( 5.190 4.742 -1.668) 7.225 13.700 ( 1.277 -2.457 4.803) 5.544 13.837 ( -0.092 -2.394 -2.905) 3.765 14.209 ( 1.745 -6.652 0.380) 6.887 14.398 ( -1.962 -1.338 2.218) 3.250 14.752 ( -7.494 -4.027 0.585) 8.528 15.448 ( -11.085 -11.131 0.722) 15.726 16.917 ( 11.717 9.995 4.630) 16.082 17.554 ( 8.561 8.030 -2.328) 11.966 18.127 ( -2.681 -2.812 5.897) 7.062 18.420 ( 4.869 -1.427 -5.434) 7.435 20.975 ( -4.196 1.257 3.250) 5.454 21.269 ( 3.381 0.939 -5.533) 6.552 21.604 ( -1.284 1.594 2.172) 2.984 21.745 ( 0.934 -0.081 0.074) 0.940 22.111 ( -0.136 -0.596 -5.770) 5.802 22.407 ( -0.161 9.785 4.496) 10.770 22.874 ( -4.587 -4.133 -0.746) 6.219 23.095 ( -2.735 -6.155 1.129) 6.829 23.521 ( 0.688 -9.368 1.894) 9.582 23.562 ( -2.873 -6.708 0.750) 7.336 23.821 ( 0.040 1.410 -0.038) 1.411 23.932 ( -2.125 0.946 -1.936) 3.027 24.078 ( 4.124 1.914 -0.082) 4.547 24.089 ( 0.220 -2.407 1.042) 2.632 24.255 ( 0.529 -0.386 0.757) 1.001 24.638 ( 6.564 11.373 -2.157) 13.307 ======================= Grid point 180 (84/140) ======================= q-point: (-0.44 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( -7.059 5.081 10.898) 13.943 1.953 ( 4.085 2.894 5.406) 7.368 2.066 ( 1.860 -6.875 -3.229) 7.820 2.181 ( -3.396 -4.199 -1.987) 5.754 2.279 ( 0.831 -7.240 -4.011) 8.319 2.366 ( -0.728 6.032 -7.566) 9.703 2.517 ( 5.938 -0.767 -1.620) 6.202 2.655 ( -3.647 -2.403 -2.877) 5.230 2.748 ( -0.023 1.768 -0.467) 1.829 2.825 ( 4.357 2.376 0.364) 4.976 2.909 ( -3.089 -2.685 -5.742) 7.051 3.084 ( -3.691 -6.506 4.303) 8.630 3.175 ( -4.301 -5.484 4.726) 8.420 3.278 ( 1.207 0.944 2.793) 3.185 3.335 ( 3.908 -1.523 -1.283) 4.387 3.515 ( 0.198 1.715 3.235) 3.667 3.747 ( 0.349 -2.821 -4.858) 5.629 3.930 ( -0.512 2.801 -6.032) 6.670 3.979 ( -0.381 -5.098 5.549) 7.545 4.047 ( 1.321 -0.226 -2.316) 2.676 4.121 ( 2.722 -0.331 2.833) 3.942 4.306 ( -5.741 4.896 0.495) 7.562 4.362 ( -0.520 -3.590 1.300) 3.853 4.553 ( 5.972 -1.179 2.350) 6.525 4.690 ( 0.727 -0.294 -7.368) 7.410 4.813 ( -0.213 1.377 -1.538) 2.075 4.979 ( -5.104 -2.650 1.989) 6.085 5.179 ( 5.677 1.690 2.882) 6.587 5.291 ( -0.756 1.703 0.956) 2.094 5.417 ( -0.573 -0.208 8.524) 8.546 5.519 ( -1.586 -2.037 -2.903) 3.885 5.618 ( 1.116 0.605 2.458) 2.767 5.699 ( -0.494 -0.870 -0.721) 1.233 5.756 ( -2.008 3.753 -1.247) 4.435 5.946 ( 2.349 2.963 -4.126) 5.597 6.203 ( -1.695 -2.460 -0.321) 3.004 6.257 ( -0.313 -1.269 5.746) 5.892 6.544 ( 1.970 1.544 -0.639) 2.584 6.704 ( -0.836 1.537 -5.715) 5.977 7.008 ( 2.306 0.166 0.249) 2.325 7.557 ( -0.410 -2.956 0.542) 3.033 7.736 ( 0.917 2.695 -1.809) 3.372 7.745 ( 2.293 4.160 0.644) 4.794 7.884 ( -1.700 1.851 0.668) 2.600 8.024 ( 2.094 -0.786 0.138) 2.241 8.270 ( -5.427 -0.540 2.378) 5.950 8.402 ( -5.659 2.652 2.876) 6.880 8.470 ( 0.624 -4.013 0.908) 4.162 8.984 ( 2.108 -0.257 6.531) 6.868 9.146 ( -1.840 -6.761 -3.974) 8.056 9.561 ( -6.537 1.973 -2.244) 7.188 9.726 ( -0.628 1.142 2.665) 2.966 9.874 ( 8.645 7.756 1.057) 11.662 10.398 ( 5.361 -8.459 -12.650) 16.134 10.659 ( -3.147 4.028 0.198) 5.115 10.795 ( 0.698 -3.578 -2.744) 4.563 11.052 ( 2.566 0.992 1.789) 3.281 11.112 ( -3.452 -2.930 -1.175) 4.677 11.234 ( 4.373 -3.162 -4.516) 7.036 11.482 ( 0.966 2.194 7.994) 8.346 11.608 ( -2.374 1.488 1.560) 3.207 11.834 ( -0.779 -1.149 -2.412) 2.783 11.951 ( 2.436 2.156 -4.418) 5.486 12.122 ( -4.642 1.796 5.749) 7.604 12.388 ( -3.464 -5.821 3.726) 7.731 12.628 ( -1.399 -4.043 1.345) 4.485 12.716 ( -1.279 5.931 2.466) 6.549 12.838 ( -5.513 6.422 -0.850) 8.506 13.151 ( 5.002 -0.658 -6.705) 8.391 13.444 ( 7.453 3.868 -3.059) 8.937 13.761 ( 3.826 -0.593 3.677) 5.339 13.874 ( 3.016 -1.400 -1.179) 3.528 14.276 ( -4.883 -3.003 -0.151) 5.735 14.391 ( -5.927 0.092 1.224) 6.052 14.816 ( 3.523 -4.580 2.063) 6.135 15.528 ( -10.865 -8.086 0.014) 13.544 16.856 ( 6.797 8.235 5.457) 11.992 17.466 ( 3.897 5.398 -5.861) 8.870 18.171 ( -3.461 -2.049 5.211) 6.582 18.438 ( 4.033 0.118 -5.768) 7.039 20.944 ( -3.547 0.497 4.058) 5.413 21.248 ( 2.883 1.200 -5.035) 5.925 21.594 ( -0.546 0.292 2.310) 2.391 21.763 ( 0.384 -0.635 0.237) 0.779 22.077 ( -0.473 2.718 -3.783) 4.683 22.306 ( -2.407 0.190 -0.581) 2.484 22.916 ( 0.628 -1.841 1.809) 2.656 23.173 ( 0.710 -3.695 1.209) 3.953 23.646 ( -0.435 -4.113 0.960) 4.246 23.676 ( 0.187 -6.628 2.441) 7.066 23.794 ( -0.318 1.565 -0.158) 1.604 23.890 ( -2.383 0.740 -2.522) 3.547 24.033 ( 2.488 6.094 -0.018) 6.583 24.129 ( -0.509 -1.836 0.660) 2.016 24.281 ( 0.506 -1.673 0.670) 1.872 24.497 ( 1.554 7.600 -1.729) 7.947 ======================= Grid point 181 (85/140) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.674 ( -11.930 8.094 15.183) 20.937 1.866 ( 1.514 12.758 8.735) 15.535 2.114 ( -0.510 0.615 -8.520) 8.557 2.170 ( -1.663 3.827 3.144) 5.224 2.246 ( 2.895 5.748 -4.341) 7.763 2.371 ( 4.146 -3.288 1.628) 5.536 2.547 ( 7.068 2.442 -2.315) 7.828 2.674 ( -1.142 3.404 0.954) 3.715 2.691 ( 1.978 -2.757 -2.510) 4.220 2.856 ( 1.068 -1.915 1.269) 2.534 2.933 ( -0.140 -3.715 -4.932) 6.176 3.151 ( -3.416 -3.875 0.590) 5.200 3.196 ( -2.041 1.660 5.278) 5.897 3.256 ( 1.730 7.108 3.557) 8.134 3.394 ( 0.298 -2.836 -5.600) 6.285 3.493 ( -0.160 2.324 3.442) 4.156 3.736 ( -3.051 1.323 -3.295) 4.682 3.819 ( 1.041 2.569 -6.566) 7.127 3.998 ( -2.573 -0.284 -2.985) 3.951 4.057 ( -2.985 0.798 4.831) 5.735 4.147 ( 1.724 4.639 -3.343) 5.972 4.220 ( -0.789 -1.252 -0.006) 1.480 4.356 ( -2.290 1.932 3.673) 4.740 4.611 ( 0.702 -2.238 3.699) 4.380 4.745 ( -3.203 1.268 -5.807) 6.751 4.754 ( 11.237 -0.788 -0.987) 11.308 5.036 ( -0.698 -3.729 1.260) 3.997 5.236 ( 6.788 -0.647 2.354) 7.214 5.276 ( -2.243 -1.157 1.568) 2.971 5.413 ( -3.565 2.969 7.440) 8.768 5.488 ( -4.177 1.593 -1.589) 4.745 5.606 ( 0.736 1.461 1.622) 2.304 5.709 ( 1.583 -0.026 -3.697) 4.021 5.759 ( -0.921 -5.017 2.368) 5.624 5.890 ( -2.092 1.308 -5.149) 5.710 6.238 ( 0.918 -1.852 -3.663) 4.206 6.296 ( -0.285 -0.915 5.250) 5.336 6.529 ( -0.454 1.114 4.115) 4.287 6.653 ( 0.726 -0.076 -9.027) 9.056 7.006 ( -1.308 -0.609 -3.961) 4.216 7.614 ( 1.486 -3.218 -0.934) 3.665 7.694 ( 0.699 0.411 1.653) 1.841 7.781 ( 2.017 -3.478 -2.305) 4.635 7.849 ( -1.224 0.943 1.230) 1.975 8.086 ( 1.820 -4.239 1.314) 4.797 8.270 ( -4.606 -0.354 3.421) 5.749 8.346 ( -1.063 0.454 1.253) 1.704 8.527 ( -0.004 -1.849 0.786) 2.009 9.033 ( 5.066 0.598 9.535) 10.814 9.248 ( 2.033 -5.491 -2.097) 6.219 9.448 ( -6.863 3.229 0.199) 7.587 9.722 ( -2.237 1.660 3.732) 4.657 9.799 ( 2.458 5.356 -1.481) 6.076 10.460 ( 3.577 -3.272 -17.918) 18.562 10.576 ( -1.140 4.265 3.286) 5.504 10.848 ( 1.538 -1.889 -1.579) 2.903 11.051 ( 1.206 1.276 1.588) 2.367 11.095 ( -1.809 -0.502 -4.015) 4.432 11.242 ( 2.741 3.638 -0.835) 4.630 11.465 ( -1.511 3.697 6.102) 7.292 11.627 ( 0.521 -2.162 0.933) 2.412 11.889 ( 1.032 -7.251 -1.936) 7.576 11.933 ( 5.080 1.695 -2.362) 5.853 12.085 ( -5.465 1.272 4.740) 7.345 12.462 ( -5.392 -4.828 4.480) 8.512 12.621 ( 0.658 5.412 -0.324) 5.462 12.711 ( -5.129 0.547 -0.669) 5.201 12.759 ( -0.172 -7.603 5.382) 9.316 13.189 ( 3.653 -2.554 -4.533) 6.358 13.453 ( 7.419 0.175 -2.019) 7.691 13.817 ( 7.010 0.680 2.180) 7.373 13.910 ( 5.803 0.601 -0.538) 5.859 14.246 ( -7.165 0.780 -2.120) 7.513 14.324 ( -8.624 1.124 1.012) 8.755 14.947 ( 9.406 -2.837 3.085) 10.297 15.547 ( -9.960 -4.090 -2.132) 10.976 16.808 ( 0.850 4.147 6.597) 7.838 17.385 ( 0.298 2.098 -8.676) 8.931 18.189 ( -3.940 -0.777 3.280) 5.185 18.423 ( 3.607 1.746 -6.298) 7.465 20.954 ( -2.634 -1.752 5.963) 6.750 21.229 ( 2.748 0.913 -4.512) 5.361 21.605 ( 0.285 -0.373 2.550) 2.593 21.752 ( -1.188 1.523 -1.489) 2.439 22.004 ( -1.237 3.186 2.089) 4.006 22.352 ( -2.682 -8.141 -5.172) 10.011 22.952 ( 2.669 0.626 3.116) 4.150 23.252 ( 6.383 -2.103 1.342) 6.853 23.679 ( 1.481 2.533 0.681) 3.012 23.718 ( 0.575 2.905 -1.062) 3.146 23.767 ( -1.569 0.554 0.896) 1.890 23.883 ( -1.602 -3.668 -0.031) 4.003 23.950 ( -1.218 3.488 0.808) 3.782 24.142 ( -0.575 0.124 -0.708) 0.921 24.301 ( 0.838 1.079 -0.941) 1.659 24.409 ( -3.148 0.518 -0.558) 3.239 ======================= Grid point 182 (86/140) ======================= q-point: (-0.22 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.500 ( -14.360 10.157 18.872) 25.798 1.663 ( 0.347 17.636 10.337) 20.445 1.960 ( -1.301 10.429 -3.564) 11.098 2.099 ( 0.374 5.509 2.225) 5.953 2.158 ( 5.885 8.455 2.281) 10.551 2.425 ( 11.881 7.155 -3.854) 14.394 2.563 ( 2.481 -1.413 6.336) 6.950 2.602 ( 0.081 4.144 -1.226) 4.323 2.784 ( 2.020 -5.983 -4.223) 7.597 2.853 ( -1.080 4.617 3.310) 5.783 2.934 ( -0.513 3.650 -0.751) 3.762 3.074 ( -0.444 12.197 2.111) 12.387 3.147 ( 1.522 4.241 -0.260) 4.513 3.219 ( -4.285 -2.989 1.734) 5.505 3.317 ( -4.917 3.891 -0.260) 6.276 3.490 ( 1.291 -0.746 1.183) 1.903 3.690 ( -2.059 0.062 -6.629) 6.942 3.817 ( 4.388 -4.068 -6.529) 8.857 3.942 ( -11.525 3.093 -7.570) 14.131 4.017 ( 4.612 1.113 -2.484) 5.356 4.074 ( -0.741 1.111 2.331) 2.686 4.186 ( -5.537 3.537 1.268) 6.692 4.398 ( 6.444 -1.278 5.086) 8.309 4.674 ( -0.671 -2.947 2.238) 3.761 4.707 ( 0.720 -0.722 -0.656) 1.212 4.802 ( 6.508 2.526 -5.832) 9.096 5.093 ( 0.372 -3.535 3.027) 4.668 5.277 ( -3.873 1.591 2.168) 4.715 5.310 ( 2.621 -0.898 1.748) 3.276 5.377 ( -4.316 -0.120 6.068) 7.448 5.450 ( -0.981 -3.491 1.664) 3.990 5.613 ( -0.635 -0.458 -2.584) 2.700 5.711 ( 2.110 -1.678 -1.983) 3.346 5.805 ( 3.586 2.974 -4.138) 6.231 5.867 ( -4.118 -4.791 0.910) 6.382 6.187 ( 0.486 5.866 -5.467) 8.033 6.347 ( -3.622 -4.305 2.137) 6.018 6.576 ( -1.060 -3.350 7.712) 8.474 6.646 ( 5.866 -2.421 -9.441) 11.376 6.975 ( -2.290 0.107 -5.442) 5.905 7.660 ( 2.421 -0.424 -0.770) 2.575 7.739 ( -2.183 -3.934 2.238) 5.025 7.817 ( -0.466 -2.207 -3.664) 4.303 7.877 ( 1.978 -3.269 -0.757) 3.895 8.154 ( -3.409 -1.319 3.288) 4.916 8.233 ( 0.212 1.173 -1.810) 2.167 8.384 ( 3.116 -0.856 3.666) 4.887 8.547 ( -1.726 -1.290 -0.130) 2.159 9.139 ( 5.531 0.065 15.844) 16.782 9.312 ( 8.040 -0.180 -4.451) 9.191 9.415 ( -9.254 -6.665 1.406) 11.490 9.613 ( -2.452 7.297 0.756) 7.735 9.776 ( -3.273 -0.538 3.733) 4.994 10.408 ( 2.512 1.267 -19.105) 19.311 10.537 ( 2.550 3.522 4.994) 6.622 10.841 ( -0.763 1.881 -0.188) 2.038 11.033 ( 0.350 1.914 -3.189) 3.736 11.111 ( 3.875 -1.717 -2.866) 5.116 11.174 ( 3.485 5.360 -1.286) 6.521 11.406 ( -6.566 1.217 1.211) 6.786 11.674 ( -0.624 -1.272 6.552) 6.704 11.920 ( 2.514 -0.143 -4.416) 5.084 12.040 ( -4.949 0.252 2.926) 5.755 12.062 ( 5.059 -6.607 0.902) 8.370 12.504 ( -4.697 -2.023 3.825) 6.386 12.565 ( 1.046 1.668 2.474) 3.162 12.678 ( -3.287 -1.495 1.247) 3.821 12.965 ( 1.310 -12.236 -0.557) 12.319 13.251 ( 1.706 -4.081 1.476) 4.663 13.524 ( 5.228 -2.724 0.832) 5.954 13.847 ( 5.400 2.680 0.648) 6.063 13.951 ( 9.430 0.638 -0.418) 9.461 14.119 ( -2.701 7.159 -3.795) 8.541 14.258 ( -11.043 -2.085 -0.059) 11.239 15.061 ( 9.242 0.547 4.716) 10.390 15.496 ( -6.575 0.193 -5.515) 8.584 16.793 ( -6.203 -0.335 8.289) 10.358 17.313 ( -0.895 0.758 -11.224) 11.285 18.160 ( -4.669 1.733 1.144) 5.110 18.380 ( 3.754 2.830 -6.805) 8.271 21.014 ( -2.564 -3.608 7.050) 8.324 21.217 ( 3.655 0.892 -4.282) 5.700 21.637 ( 0.524 -1.615 1.816) 2.486 21.698 ( -2.090 1.431 -0.600) 2.603 21.992 ( 0.649 0.753 7.206) 7.274 22.444 ( -6.312 -9.643 -8.271) 14.186 22.962 ( 2.235 2.190 3.467) 4.670 23.324 ( 5.329 1.468 -3.813) 6.715 23.583 ( 6.461 8.302 0.643) 10.539 23.692 ( 4.682 1.588 0.439) 4.964 23.755 ( -2.828 0.285 1.924) 3.433 23.910 ( -4.282 -1.157 -0.664) 4.485 23.943 ( 0.742 -1.596 3.256) 3.701 24.087 ( -1.649 4.876 -1.951) 5.505 24.266 ( 0.432 0.972 -0.638) 1.240 24.418 ( -5.145 -3.995 -0.251) 6.518 ======================= Grid point 183 (87/140) ======================= q-point: (-0.11 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.305 ( -15.631 10.815 21.137) 28.426 1.404 ( 3.349 19.073 11.707) 22.629 1.770 ( 1.613 12.071 1.632) 12.287 2.015 ( 2.765 6.046 0.736) 6.688 2.085 ( 8.632 10.461 10.890) 17.393 2.313 ( 10.408 12.314 -4.216) 16.665 2.460 ( -2.926 8.399 -4.871) 10.140 2.609 ( 2.937 11.145 8.603) 14.382 2.728 ( -1.014 2.956 0.107) 3.127 2.799 ( -3.064 5.866 0.046) 6.618 2.867 ( -4.317 4.147 -4.685) 7.602 2.904 ( 1.189 0.470 4.719) 4.889 3.118 ( 2.505 1.128 -1.726) 3.245 3.195 ( -3.908 -0.817 -4.284) 5.856 3.323 ( 1.047 -0.944 6.614) 6.763 3.549 ( 0.938 -4.888 -2.705) 5.665 3.638 ( -2.570 -0.568 -5.067) 5.710 3.749 ( -6.336 2.638 -7.877) 10.448 3.921 ( 2.705 -4.607 -4.285) 6.848 4.036 ( 3.486 -0.394 -4.215) 5.484 4.055 ( 2.443 5.030 5.178) 7.621 4.103 ( -10.291 -2.851 -1.039) 10.729 4.471 ( 6.274 1.999 5.078) 8.315 4.692 ( -1.775 4.901 1.263) 5.363 4.739 ( -0.895 -3.959 -0.556) 4.097 4.787 ( 6.043 -3.340 -7.626) 10.287 5.140 ( -8.147 7.128 6.622) 12.690 5.174 ( -0.779 -2.572 3.223) 4.196 5.401 ( 4.416 -5.268 0.986) 6.944 5.468 ( -2.592 -8.575 5.705) 10.620 5.548 ( 1.500 -3.777 -2.684) 4.870 5.572 ( -4.028 -1.394 -2.858) 5.132 5.734 ( 0.577 -0.321 -1.884) 1.996 5.802 ( 8.177 0.378 -6.236) 10.290 5.924 ( -1.658 -3.748 4.247) 5.903 6.081 ( -0.299 1.240 -2.152) 2.502 6.359 ( -6.768 -0.204 2.886) 7.361 6.636 ( 3.812 -2.153 -8.214) 9.308 6.749 ( 6.368 -4.183 2.993) 8.186 6.911 ( -1.469 3.377 -4.093) 5.506 7.639 ( -3.326 1.827 1.155) 3.966 7.799 ( -1.118 -2.527 0.461) 2.801 7.823 ( 1.090 -1.148 -5.432) 5.658 7.931 ( 3.003 -1.720 -3.774) 5.121 8.146 ( -3.731 -0.734 2.054) 4.322 8.195 ( 3.021 4.996 -0.007) 5.839 8.435 ( 3.037 -0.238 3.841) 4.902 8.534 ( -3.409 0.757 -0.743) 3.570 9.216 ( -0.734 0.012 10.204) 10.231 9.365 ( -4.733 -5.119 -0.621) 6.999 9.483 ( 2.504 -1.068 5.092) 5.774 9.589 ( 2.445 -5.969 0.921) 6.516 9.772 ( -3.561 0.411 5.353) 6.442 10.283 ( 1.609 5.273 -17.008) 17.879 10.537 ( 3.792 2.672 5.679) 7.333 10.794 ( 0.132 2.467 -2.130) 3.262 10.984 ( 2.443 2.594 -2.320) 4.252 11.093 ( 4.138 3.717 -7.196) 9.095 11.168 ( 2.910 0.014 1.919) 3.486 11.346 ( -8.130 -1.161 -3.014) 8.748 11.715 ( -6.798 -2.667 7.702) 10.613 11.925 ( 3.517 0.277 -3.041) 4.658 12.016 ( -3.607 -0.150 4.168) 5.514 12.179 ( 3.077 -2.604 -2.380) 4.681 12.514 ( -6.007 -0.930 7.296) 9.497 12.601 ( 2.692 -2.856 3.164) 5.042 12.723 ( 0.629 -3.703 2.305) 4.407 13.088 ( -0.520 -4.971 -11.795) 12.810 13.400 ( 1.486 -7.593 8.247) 11.309 13.615 ( 0.289 -4.159 0.525) 4.202 13.808 ( 0.962 5.081 1.421) 5.363 13.949 ( -0.310 4.107 -3.388) 5.333 14.076 ( 16.879 -0.109 2.860) 17.120 14.238 ( -10.824 -7.219 -3.580) 13.494 15.086 ( -0.012 4.805 6.972) 8.467 15.404 ( 3.135 4.664 -9.345) 10.905 16.784 ( -14.787 -2.107 9.965) 17.955 17.247 ( 6.020 1.888 -12.349) 13.867 18.071 ( -5.377 4.857 2.226) 7.581 18.328 ( 4.520 2.901 -7.095) 8.898 21.072 ( -3.612 -2.258 4.072) 5.893 21.213 ( 4.763 1.327 -4.057) 6.396 21.670 ( -0.611 -2.882 2.619) 3.942 21.730 ( -0.935 -5.709 1.754) 6.045 22.050 ( 4.133 0.147 11.943) 12.639 22.481 ( -10.147 -7.175 -9.643) 15.730 22.952 ( 1.494 2.236 2.915) 3.967 23.203 ( -3.236 7.814 -7.122) 11.057 23.510 ( 3.036 7.717 -1.484) 8.424 23.599 ( -8.570 6.837 -4.251) 11.758 23.847 ( 10.291 -1.206 1.358) 10.450 23.929 ( 4.766 -3.384 2.538) 6.372 23.973 ( 1.927 2.115 2.303) 3.673 23.996 ( -2.687 0.393 1.169) 2.956 24.303 ( 5.905 -3.059 2.857) 7.238 24.434 ( -6.129 -3.393 -1.708) 7.211 ======================= Grid point 186 (88/140) ======================= q-point: ( 0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.065 ( -4.203 -0.000 -15.171) 15.742 1.511 ( 5.584 0.000 2.028) 5.941 1.521 ( 12.751 0.000 14.306) 19.164 1.710 ( -11.399 -0.000 -10.765) 15.679 1.891 ( 2.459 0.000 -10.296) 10.586 2.224 ( -10.065 -0.000 14.443) 17.604 2.394 ( 5.017 0.000 -6.272) 8.031 2.491 ( 12.881 0.000 -16.069) 20.594 2.701 ( 0.955 0.000 5.123) 5.211 2.701 ( 1.935 0.000 15.397) 15.518 2.783 ( -1.398 -0.000 3.592) 3.854 2.951 ( -1.833 -0.000 -10.459) 10.619 2.962 ( -4.432 -0.000 -1.498) 4.678 3.267 ( 11.043 0.000 6.794) 12.966 3.364 ( -3.244 -0.000 4.109) 5.235 3.479 ( -2.926 -0.000 -5.520) 6.248 3.705 ( 2.606 0.000 4.937) 5.583 3.722 ( -2.500 -0.000 1.356) 2.844 3.754 ( -3.335 -0.000 -0.901) 3.454 3.922 ( 4.402 0.000 -10.627) 11.503 4.095 ( -16.902 -0.000 -4.713) 17.547 4.224 ( 1.216 0.000 3.389) 3.601 4.403 ( 6.751 0.000 10.002) 12.067 4.588 ( -2.818 -0.000 7.877) 8.366 4.844 ( 1.866 0.000 -6.650) 6.907 4.850 ( 4.243 0.000 -9.589) 10.486 5.070 ( -7.003 -0.000 1.710) 7.209 5.142 ( 5.066 0.000 2.143) 5.500 5.327 ( -4.755 -0.000 1.558) 5.004 5.464 ( 0.364 0.000 6.226) 6.237 5.573 ( -5.149 -0.000 1.105) 5.266 5.765 ( 3.978 0.000 0.487) 4.008 5.891 ( -8.954 -0.000 2.320) 9.249 6.019 ( 7.846 0.000 4.497) 9.043 6.061 ( 6.690 0.000 -6.161) 9.095 6.217 ( -3.015 -0.000 -8.201) 8.737 6.257 ( -1.324 -0.000 4.051) 4.262 6.509 ( -5.618 -0.000 5.544) 7.892 6.611 ( 1.064 0.000 -6.423) 6.510 7.073 ( 12.111 0.000 -12.893) 17.689 7.659 ( 2.364 0.000 6.479) 6.897 7.728 ( 3.119 0.000 -2.147) 3.787 7.786 ( 0.333 0.000 2.222) 2.247 8.008 ( 4.461 0.000 -5.402) 7.006 8.072 ( 0.404 0.000 -2.131) 2.169 8.180 ( -1.122 -0.000 0.971) 1.484 8.355 ( -4.477 -0.000 0.156) 4.480 8.557 ( 0.177 0.000 2.476) 2.483 8.934 ( -23.840 -0.000 6.573) 24.729 9.181 ( -8.189 -0.000 0.351) 8.196 9.518 ( -3.473 -0.000 -4.633) 5.790 9.844 ( -1.828 -0.000 -12.281) 12.416 9.904 ( 0.390 0.000 10.466) 10.474 10.126 ( 10.530 0.000 3.461) 11.084 10.710 ( 4.585 0.000 1.423) 4.801 10.745 ( 1.478 0.000 -10.894) 10.994 10.781 ( -1.086 -0.000 0.481) 1.188 10.919 ( -4.403 -0.000 -1.748) 4.737 11.107 ( -5.554 -0.000 -0.559) 5.582 11.424 ( 5.585 0.000 7.861) 9.642 11.657 ( -3.718 -0.000 9.456) 10.161 11.983 ( -2.750 -0.000 -3.838) 4.722 12.000 ( -2.402 -0.000 4.017) 4.681 12.109 ( -2.142 -0.000 3.470) 4.078 12.686 ( 6.407 0.000 -2.264) 6.795 12.805 ( -0.290 -0.000 6.728) 6.734 12.957 ( 3.680 0.000 -3.070) 4.793 13.117 ( 12.226 0.000 -11.641) 16.881 13.197 ( -9.910 -0.000 2.966) 10.344 13.652 ( -2.035 -0.000 4.575) 5.008 13.793 ( -2.678 -0.000 -8.116) 8.547 13.851 ( 2.062 0.000 -9.145) 9.374 14.014 ( -5.851 -0.000 -2.788) 6.481 14.412 ( -5.309 -0.000 2.641) 5.930 14.807 ( -17.065 -0.000 4.189) 17.572 14.807 ( -9.543 -0.000 -1.353) 9.638 17.158 ( 23.245 0.000 0.250) 23.246 17.763 ( 17.197 0.000 8.600) 19.228 17.982 ( -0.919 -0.000 8.381) 8.431 18.327 ( 6.685 0.000 -6.117) 9.061 21.005 ( -3.011 -0.000 0.877) 3.136 21.251 ( 4.686 0.000 -2.344) 5.239 21.777 ( -4.710 -0.000 3.289) 5.744 21.857 ( -3.173 -0.000 -2.437) 4.001 22.153 ( -4.449 -0.000 -11.910) 12.714 22.555 ( 5.634 0.000 15.049) 16.069 22.798 ( -2.573 -0.000 6.610) 7.093 23.056 ( -6.227 -0.000 -3.329) 7.061 23.160 ( -3.831 -0.000 8.540) 9.360 23.186 ( -4.169 -0.000 -5.161) 6.635 23.870 ( 2.229 0.000 0.850) 2.385 23.993 ( -1.908 -0.000 -4.573) 4.955 24.010 ( 1.953 0.000 4.857) 5.235 24.022 ( 2.273 0.000 -4.508) 5.048 24.254 ( -0.695 -0.000 0.925) 1.157 25.010 ( 14.238 0.000 -7.613) 16.146 ======================= Grid point 187 (89/140) ======================= q-point: ( 0.33 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.178 ( -1.397 -20.929 -11.277) 23.814 1.608 ( 2.806 -10.032 -12.850) 16.542 1.680 ( -0.303 -10.837 -3.608) 11.426 1.723 ( 4.252 -5.520 4.306) 8.191 1.928 ( 5.931 -1.512 5.486) 8.220 2.296 ( -8.625 -9.943 6.597) 14.723 2.401 ( 5.901 -0.998 -5.419) 8.074 2.564 ( 4.403 -5.775 -8.907) 11.492 2.638 ( -10.361 3.926 2.466) 11.351 2.766 ( -4.263 -2.229 0.808) 4.878 2.822 ( 6.550 -1.791 2.483) 7.230 2.915 ( -2.272 -0.501 -5.000) 5.515 2.949 ( 1.186 -0.097 1.018) 1.566 3.282 ( -0.875 0.549 0.105) 1.038 3.451 ( 8.162 0.182 8.845) 12.037 3.522 ( 0.179 -7.362 -5.330) 9.091 3.601 ( -1.879 6.906 6.498) 9.667 3.729 ( 0.144 3.281 1.849) 3.769 3.768 ( -0.829 -1.797 4.327) 4.758 3.919 ( -1.460 -1.966 -11.190) 11.454 4.013 ( -4.157 -6.444 -3.430) 8.400 4.238 ( -1.916 -0.176 0.337) 1.954 4.458 ( 4.673 3.760 9.219) 10.998 4.583 ( -1.214 1.532 0.495) 2.017 4.791 ( -1.071 1.507 -7.288) 7.519 4.927 ( 0.902 -8.549 -1.960) 8.817 5.035 ( -3.124 0.795 4.036) 5.165 5.185 ( 4.425 3.503 0.600) 5.676 5.257 ( -4.750 3.025 3.251) 6.502 5.489 ( 0.885 1.572 8.682) 8.867 5.528 ( -0.755 2.776 0.001) 2.877 5.688 ( -2.103 6.363 -2.251) 7.070 5.850 ( -0.802 -0.774 -0.271) 1.147 5.977 ( -0.730 10.639 -7.400) 12.980 6.101 ( 5.855 -0.614 5.819) 8.278 6.131 ( 2.095 0.659 -2.109) 3.045 6.336 ( 0.678 0.133 1.931) 2.051 6.482 ( -4.837 -3.084 2.519) 6.265 6.646 ( -1.088 -4.422 -4.725) 6.562 7.088 ( 8.936 1.324 -9.694) 13.250 7.671 ( 1.731 4.572 6.120) 7.833 7.781 ( 3.659 -2.684 0.531) 4.569 7.826 ( 1.565 -2.512 0.626) 3.025 8.009 ( 4.476 1.268 -2.981) 5.525 8.089 ( 1.868 -1.256 -0.832) 2.400 8.181 ( -3.131 -1.482 0.071) 3.465 8.336 ( -3.762 -2.011 -0.389) 4.284 8.565 ( -1.955 -0.310 2.102) 2.887 8.750 ( -19.429 3.794 7.226) 21.074 9.164 ( -6.945 -3.289 -2.569) 8.103 9.436 ( -4.268 0.181 -7.210) 8.381 9.865 ( -1.010 -9.612 -14.358) 17.308 9.927 ( -0.546 2.882 10.304) 10.713 10.179 ( 9.732 4.662 3.537) 11.356 10.698 ( -1.029 -0.331 -6.440) 6.530 10.758 ( 1.065 -0.353 1.525) 1.893 10.810 ( 5.192 -3.127 -2.555) 6.578 10.919 ( -5.352 -5.105 -1.122) 7.481 11.065 ( -4.121 0.181 0.407) 4.145 11.490 ( 4.652 0.584 5.102) 6.929 11.687 ( -2.028 -0.685 9.502) 9.740 11.939 ( -8.358 -2.229 -6.010) 10.533 11.986 ( -1.253 2.342 3.383) 4.301 12.136 ( -0.268 -0.925 6.435) 6.507 12.607 ( 8.763 14.242 -4.104) 17.218 12.700 ( -2.275 3.744 -4.562) 6.325 13.004 ( 2.044 2.685 4.448) 5.583 13.102 ( 4.334 3.021 -0.898) 5.358 13.326 ( 1.053 -13.782 -5.077) 14.725 13.582 ( -7.953 9.255 -4.614) 13.045 13.679 ( -3.233 2.205 1.364) 4.144 13.816 ( 2.146 0.947 -9.007) 9.307 14.017 ( 5.260 -2.600 1.829) 6.146 14.380 ( -3.632 0.460 2.643) 4.515 14.625 ( -12.793 -0.293 1.668) 12.904 14.959 ( -13.753 -16.509 0.397) 21.491 17.264 ( 20.894 7.761 1.702) 22.354 17.857 ( 10.885 6.924 8.758) 15.593 18.036 ( -0.634 -2.134 7.344) 7.674 18.361 ( 6.137 -1.396 -5.540) 8.385 20.992 ( -3.113 -0.211 1.827) 3.615 21.276 ( 4.302 -0.187 -3.315) 5.434 21.719 ( -3.641 3.879 2.238) 5.771 21.795 ( -2.261 2.492 -1.944) 3.886 22.077 ( -3.532 -1.029 -10.485) 11.111 22.676 ( -0.380 -5.154 7.847) 9.396 22.784 ( -6.112 7.332 -3.995) 10.347 22.906 ( -3.518 -0.954 5.831) 6.877 23.236 ( 2.567 -5.625 1.186) 6.296 23.284 ( -3.877 -9.148 4.970) 11.109 23.874 ( 0.635 1.346 0.689) 1.640 23.954 ( -2.064 0.109 -4.424) 4.883 24.035 ( 2.544 -0.475 -0.116) 2.591 24.058 ( 3.113 -1.226 2.726) 4.315 24.264 ( 1.031 0.226 2.766) 2.960 25.003 ( 10.663 7.372 -7.815) 15.136 ======================= Grid point 188 (90/140) ======================= q-point: ( 0.44 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 0.914 -22.543 -1.631) 22.620 1.740 ( -0.807 -14.494 -17.592) 22.808 1.847 ( 1.815 -7.641 -0.536) 7.872 1.946 ( 10.951 -9.496 5.406) 15.470 2.018 ( 0.334 -1.286 4.687) 4.872 2.407 ( -3.878 -7.348 -6.061) 10.284 2.463 ( -0.085 -3.999 -5.348) 6.678 2.523 ( -11.159 -1.224 0.952) 11.267 2.671 ( -1.148 -8.838 3.003) 9.404 2.744 ( 0.603 -0.588 -8.105) 8.148 2.871 ( -2.345 -1.612 -5.113) 5.852 2.935 ( 2.195 -0.271 -2.455) 3.304 2.985 ( 2.822 -2.667 12.168) 12.772 3.280 ( -3.529 -0.503 0.828) 3.659 3.411 ( -0.777 5.751 3.251) 6.652 3.598 ( 2.780 1.748 6.426) 7.217 3.622 ( -1.765 -4.116 -2.303) 5.036 3.706 ( -0.729 -4.941 1.792) 5.306 3.839 ( 1.612 -2.773 6.684) 7.414 3.977 ( 8.475 -6.502 -9.811) 14.504 4.094 ( -4.110 -6.254 -6.108) 9.660 4.222 ( 0.338 -0.355 0.219) 0.537 4.434 ( 1.328 5.243 5.188) 7.495 4.562 ( 2.735 0.610 -3.035) 4.131 4.708 ( -3.527 2.443 -3.573) 5.583 5.013 ( -4.813 2.713 3.494) 6.537 5.032 ( -5.804 5.554 0.650) 8.060 5.080 ( 2.672 -4.564 1.347) 5.458 5.289 ( 1.573 -2.822 6.473) 7.234 5.442 ( 2.625 6.424 -1.934) 7.205 5.514 ( 2.748 2.111 6.583) 7.439 5.649 ( -0.884 -2.217 0.538) 2.447 5.761 ( 0.035 9.142 -3.802) 9.901 5.852 ( 0.680 0.241 -3.579) 3.651 6.109 ( 2.436 3.342 -2.080) 4.629 6.194 ( 5.352 -1.467 7.222) 9.108 6.268 ( -4.396 5.475 2.958) 7.619 6.526 ( -1.577 -2.913 -1.839) 3.788 6.683 ( -2.445 -3.646 -2.798) 5.206 7.074 ( 5.410 2.640 -5.176) 7.938 7.603 ( -0.397 6.032 4.685) 7.648 7.837 ( 1.185 1.660 0.970) 2.258 7.868 ( 2.584 -2.247 -1.087) 3.593 7.992 ( 5.263 5.015 -1.317) 7.388 8.089 ( -0.278 2.634 2.172) 3.425 8.209 ( -1.205 -4.903 -0.831) 5.117 8.342 ( -4.227 -0.867 0.836) 4.395 8.536 ( -6.952 3.592 3.275) 8.482 8.687 ( -7.793 -8.899 7.092) 13.792 9.130 ( -2.493 -0.043 -6.465) 6.929 9.425 ( -4.891 -5.990 -6.811) 10.305 9.885 ( 1.200 5.370 5.780) 7.980 9.992 ( -1.795 -12.754 -13.282) 18.502 10.160 ( 8.529 7.155 1.598) 11.246 10.684 ( -2.877 -1.940 -1.115) 3.645 10.759 ( 2.175 1.265 -0.764) 2.630 10.938 ( 4.792 -6.429 -0.287) 8.024 10.974 ( -3.243 -7.500 -4.105) 9.144 11.055 ( -1.512 -1.057 2.126) 2.814 11.517 ( 0.130 0.405 1.497) 1.556 11.723 ( -0.750 1.034 7.880) 7.983 11.888 ( -6.701 -1.720 -0.302) 6.925 11.938 ( -0.210 3.617 -1.141) 3.799 12.160 ( -6.117 -0.241 7.646) 9.795 12.436 ( 11.302 10.719 -4.848) 16.314 12.616 ( -1.376 2.249 -5.913) 6.474 12.934 ( -2.171 7.357 6.962) 10.359 13.072 ( 3.186 3.815 -2.184) 5.429 13.282 ( -7.176 10.624 -8.650) 15.466 13.505 ( 5.260 -5.237 -6.167) 9.650 13.706 ( 0.777 -1.867 7.710) 7.971 13.789 ( 1.905 -1.129 -5.174) 5.628 14.136 ( 3.244 -4.549 2.496) 6.120 14.372 ( -3.413 -0.596 2.524) 4.286 14.611 ( -6.793 -6.231 1.263) 9.304 15.124 ( -13.962 -15.285 0.103) 20.703 17.248 ( 16.864 12.587 4.175) 21.454 17.787 ( 5.686 11.679 3.632) 13.488 18.098 ( -1.913 -2.161 6.988) 7.560 18.406 ( 5.050 -1.628 -5.220) 7.443 20.975 ( -3.588 0.589 2.870) 4.632 21.284 ( 3.835 0.671 -5.217) 6.509 21.642 ( -2.324 3.062 1.602) 4.165 21.751 ( -0.050 0.636 -0.691) 0.940 22.036 ( -2.969 -2.488 -8.872) 9.681 22.522 ( -11.824 7.006 -10.251) 17.146 22.812 ( 3.451 -3.077 9.715) 10.759 22.997 ( 0.708 -5.040 5.532) 7.517 23.389 ( 2.081 -8.499 3.108) 9.286 23.425 ( -2.194 -8.143 3.878) 9.282 23.850 ( 0.151 1.681 -0.450) 1.747 23.917 ( -1.913 0.242 -3.623) 4.104 24.065 ( 0.841 -1.035 1.595) 2.079 24.112 ( 2.720 -0.644 1.947) 3.407 24.281 ( 1.764 0.935 3.162) 3.739 24.869 ( 6.613 11.832 -6.972) 15.243 ======================= Grid point 189 (91/140) ======================= q-point: ( 0.56 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( -1.162 -6.861 7.380) 10.144 1.882 ( -2.356 -9.967 -6.780) 12.282 1.976 ( 3.021 -7.604 -3.375) 8.851 2.046 ( 1.618 -5.782 5.987) 8.480 2.175 ( 7.288 -5.295 -3.533) 9.677 2.390 ( -4.203 -0.339 -1.860) 4.609 2.499 ( 0.087 -4.708 -5.814) 7.482 2.540 ( -3.992 -4.398 -3.337) 6.813 2.709 ( 0.658 -0.857 -4.938) 5.055 2.784 ( -3.919 -1.268 -5.603) 6.954 2.883 ( -2.001 -7.931 0.930) 8.232 3.015 ( 0.551 -6.347 3.487) 7.263 3.057 ( 0.896 2.545 4.547) 5.288 3.265 ( -2.426 -1.947 2.098) 3.752 3.381 ( 1.661 0.910 4.909) 5.262 3.594 ( 2.302 3.525 3.967) 5.784 3.656 ( -1.880 -4.829 -1.818) 5.492 3.849 ( -2.394 -7.653 -1.926) 8.247 3.930 ( -0.066 -2.625 0.753) 2.731 4.024 ( -2.227 -0.036 -2.643) 3.457 4.115 ( 7.172 -3.412 -7.923) 11.219 4.279 ( -2.810 -3.313 1.449) 4.580 4.384 ( 1.488 3.500 1.806) 4.210 4.582 ( 4.825 -2.997 -7.153) 9.134 4.638 ( -0.324 3.085 1.539) 3.463 4.911 ( -0.239 3.911 4.707) 6.125 4.944 ( -5.626 2.573 2.438) 6.650 5.189 ( -0.178 -5.248 0.914) 5.330 5.340 ( -0.153 2.074 -2.719) 3.423 5.397 ( -0.441 0.124 9.674) 9.685 5.529 ( 2.487 1.494 4.805) 5.613 5.648 ( 2.473 0.415 -4.334) 5.007 5.696 ( 0.641 1.514 3.701) 4.050 5.804 ( -0.298 3.796 -4.682) 6.035 6.037 ( 2.186 6.347 -2.154) 7.050 6.174 ( -3.686 1.356 1.423) 4.178 6.288 ( 4.490 -0.502 8.195) 9.358 6.544 ( 0.261 -1.678 -2.589) 3.097 6.685 ( -3.361 -0.303 -3.212) 4.659 7.030 ( 0.153 2.409 -4.623) 5.215 7.549 ( -0.017 1.712 3.325) 3.740 7.764 ( -1.030 3.958 -2.991) 5.067 7.897 ( 2.217 8.528 0.783) 8.847 7.917 ( 2.961 0.841 1.359) 3.365 8.068 ( 3.277 2.203 2.282) 4.561 8.233 ( -4.106 -0.550 0.973) 4.256 8.382 ( -0.864 -6.080 1.575) 6.340 8.423 ( -7.800 3.891 3.195) 9.283 8.898 ( -1.264 -12.108 9.059) 15.175 9.097 ( 2.573 0.019 -5.412) 5.993 9.455 ( -5.555 -5.356 -5.718) 9.604 9.817 ( 0.854 6.182 4.679) 7.800 10.072 ( 6.303 8.212 -0.720) 10.377 10.147 ( -1.847 -13.222 -17.817) 22.263 10.688 ( -6.596 0.075 7.191) 9.759 10.761 ( 7.326 -0.204 -5.794) 9.342 11.010 ( -2.638 -4.947 -2.873) 6.300 11.081 ( 0.524 -0.632 1.820) 1.997 11.153 ( 7.321 -9.637 -1.088) 12.151 11.501 ( -5.424 -1.210 1.113) 5.668 11.693 ( 1.508 6.010 4.735) 7.799 11.848 ( -0.126 4.733 -2.650) 5.425 11.916 ( -3.089 -4.068 2.192) 5.559 12.130 ( -7.609 1.124 6.860) 10.307 12.373 ( 6.796 3.789 -2.240) 8.097 12.563 ( -1.177 -0.979 -5.190) 5.411 12.824 ( -3.765 6.648 7.065) 10.406 12.941 ( -2.007 9.566 -2.953) 10.211 13.142 ( 0.912 0.405 -4.661) 4.767 13.518 ( 5.172 2.145 -9.910) 11.382 13.794 ( 3.930 -2.361 5.772) 7.371 13.851 ( 3.828 -3.944 -0.349) 5.507 14.203 ( -3.162 -2.012 2.563) 4.540 14.352 ( -5.848 -0.018 1.298) 5.990 14.743 ( 3.722 -8.731 3.279) 10.042 15.252 ( -13.390 -12.540 -0.743) 18.360 17.150 ( 10.809 14.281 6.097) 18.920 17.621 ( 3.339 11.495 -2.815) 12.297 18.144 ( -3.059 -1.659 6.817) 7.654 18.437 ( 4.171 -0.813 -5.502) 6.952 20.949 ( -3.498 0.903 3.842) 5.274 21.267 ( 3.360 1.276 -5.938) 6.941 21.607 ( -0.848 0.631 1.853) 2.134 21.755 ( 0.111 -0.503 0.241) 0.569 22.028 ( -2.158 -3.332 -7.607) 8.581 22.297 ( -8.834 4.883 -7.101) 12.341 22.925 ( 3.226 -2.256 7.788) 8.727 23.119 ( 2.934 -5.130 3.439) 6.838 23.548 ( -0.528 -7.687 2.300) 8.042 23.571 ( 0.972 -7.341 4.682) 8.761 23.821 ( 0.267 1.689 -0.702) 1.849 23.880 ( -1.546 0.957 -2.916) 3.436 24.096 ( -0.644 -1.727 1.286) 2.248 24.125 ( 1.630 2.161 0.580) 2.768 24.288 ( 1.736 1.112 2.325) 3.108 24.663 ( 1.915 12.215 -5.840) 13.674 ======================= Grid point 190 (92/140) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -9.668 6.071 13.324) 17.546 2.018 ( 1.025 -6.659 -6.383) 9.281 2.081 ( 2.325 7.003 4.791) 8.798 2.163 ( 0.242 -5.776 0.528) 5.805 2.262 ( 2.457 -6.118 -1.471) 6.755 2.401 ( 6.979 1.682 1.087) 7.261 2.557 ( -1.777 -5.715 -6.698) 8.982 2.559 ( 0.369 -3.034 -1.407) 3.364 2.728 ( -1.386 -0.894 -3.803) 4.145 2.801 ( 1.481 -8.101 -2.948) 8.747 2.913 ( 1.467 5.537 3.062) 6.495 3.060 ( -2.274 -4.882 -1.009) 5.479 3.137 ( -2.220 -6.250 1.562) 6.813 3.300 ( -2.293 -1.257 1.289) 2.916 3.410 ( 3.757 1.075 1.073) 4.052 3.561 ( 0.132 4.065 4.930) 6.391 3.720 ( 0.733 -1.291 0.288) 1.512 3.814 ( -2.187 1.408 -10.122) 10.451 3.899 ( -7.803 -2.386 -3.905) 9.046 4.075 ( 1.323 -1.097 -1.137) 2.061 4.198 ( 3.808 -0.923 0.021) 3.918 4.232 ( -1.826 3.205 0.569) 3.732 4.362 ( -3.624 0.967 3.536) 5.155 4.595 ( -1.117 -2.645 -3.335) 4.400 4.703 ( 10.216 -1.558 -2.187) 10.563 4.861 ( 1.058 2.422 5.282) 5.906 4.968 ( -0.871 -4.346 2.040) 4.879 5.247 ( 0.118 -1.420 0.693) 1.584 5.299 ( 0.916 1.077 -0.805) 1.627 5.420 ( -4.123 0.081 7.304) 8.388 5.521 ( -1.569 3.937 3.486) 5.488 5.652 ( -0.789 0.510 -2.079) 2.281 5.700 ( 2.174 -0.372 -1.097) 2.463 5.707 ( -1.414 2.241 1.097) 2.868 5.931 ( 1.430 5.560 -1.226) 5.871 6.187 ( 1.793 -2.595 -2.838) 4.243 6.341 ( 2.312 1.778 6.706) 7.313 6.558 ( -1.005 0.247 1.882) 2.148 6.623 ( -0.836 1.298 -7.117) 7.283 6.961 ( -3.658 0.585 -6.500) 7.482 7.572 ( 0.939 -2.025 1.348) 2.608 7.716 ( 0.156 -1.021 -3.556) 3.703 7.791 ( 1.286 5.794 2.763) 6.546 7.887 ( 0.004 3.761 0.527) 3.798 8.084 ( 3.706 0.133 3.997) 5.452 8.250 ( -1.393 -1.053 2.243) 2.843 8.340 ( -3.838 0.480 2.405) 4.554 8.474 ( -0.992 -4.367 0.044) 4.479 9.067 ( -4.304 -4.051 9.872) 11.506 9.153 ( 5.535 -5.594 -1.270) 7.971 9.461 ( -1.461 -0.306 -0.873) 1.729 9.755 ( 0.583 3.610 3.135) 4.816 9.931 ( -1.021 9.016 -3.140) 9.601 10.254 ( -0.313 -10.394 -21.010) 23.442 10.664 ( -0.299 2.607 6.720) 7.215 10.815 ( 5.216 -2.358 -4.150) 7.070 11.037 ( -2.656 -2.169 -2.683) 4.353 11.089 ( 1.675 1.110 -0.705) 2.130 11.300 ( 2.531 -0.305 3.116) 4.026 11.542 ( -1.684 -5.825 4.692) 7.667 11.614 ( 3.367 6.444 -1.082) 7.350 11.786 ( -1.876 -1.892 -3.032) 4.037 11.971 ( 1.823 -1.428 1.721) 2.885 12.083 ( -7.094 1.191 4.688) 8.586 12.375 ( -0.386 -1.098 1.448) 1.858 12.589 ( -1.238 -5.112 -5.120) 7.340 12.732 ( -2.962 4.531 6.647) 8.572 12.785 ( 0.073 6.198 -0.215) 6.202 13.152 ( 0.840 -2.043 -2.393) 3.257 13.476 ( 4.049 0.521 -9.147) 10.017 13.880 ( 3.258 -0.946 4.110) 5.329 13.938 ( 5.333 -2.080 -0.135) 5.725 14.196 ( -4.513 0.263 2.320) 5.081 14.302 ( -4.597 1.366 -0.017) 4.796 14.947 ( 7.336 -7.184 5.007) 11.423 15.330 ( -11.364 -9.121 -2.752) 14.829 17.006 ( 2.535 12.429 7.908) 14.948 17.452 ( 3.901 8.356 -8.435) 12.497 18.170 ( -3.382 -0.715 5.830) 6.778 18.442 ( 3.755 0.596 -5.998) 7.101 20.942 ( -2.912 -0.538 5.661) 6.389 21.243 ( 2.939 0.961 -5.540) 6.344 21.616 ( 0.698 -0.230 2.201) 2.320 21.751 ( -1.599 0.483 -1.260) 2.092 22.022 ( -1.909 -0.341 -2.956) 3.535 22.192 ( -5.261 -3.068 -5.731) 8.362 23.006 ( 2.639 -0.342 7.062) 7.547 23.246 ( 5.898 -4.628 1.257) 7.601 23.664 ( 0.394 -4.911 2.162) 5.381 23.699 ( -0.682 -4.624 3.556) 5.873 23.793 ( 0.438 1.429 -0.601) 1.611 23.834 ( -0.896 1.572 -2.894) 3.413 24.057 ( -0.006 6.080 0.878) 6.143 24.126 ( 0.026 -1.161 -0.066) 1.163 24.300 ( 1.029 -0.330 0.982) 1.460 24.461 ( -2.181 8.345 -4.226) 9.605 ======================= Grid point 191 (93/140) ======================= q-point: (-0.22 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -10.681 8.875 17.042) 21.984 1.940 ( -0.873 10.566 3.857) 11.282 2.028 ( 0.140 3.187 -5.476) 6.338 2.203 ( 4.469 2.794 1.296) 5.428 2.320 ( 5.580 3.497 1.311) 6.714 2.483 ( 4.745 -5.051 4.084) 8.044 2.553 ( -3.880 0.360 -1.947) 4.356 2.638 ( 0.179 -5.628 -4.541) 7.234 2.735 ( 8.258 1.546 -2.179) 8.679 2.879 ( -3.039 -0.685 4.094) 5.144 2.950 ( 4.733 -4.821 0.521) 6.776 3.096 ( -3.014 -2.964 -3.919) 5.764 3.195 ( -2.154 -1.622 2.117) 3.428 3.237 ( -6.836 5.671 -0.403) 8.891 3.391 ( 7.146 6.064 -2.134) 9.612 3.512 ( -1.688 1.416 0.428) 2.244 3.673 ( -3.889 3.889 0.854) 5.566 3.789 ( 0.623 -2.196 -4.290) 4.860 3.859 ( -2.809 0.979 -4.465) 5.365 4.043 ( 1.756 2.837 -9.351) 9.928 4.106 ( -4.230 3.519 4.709) 7.242 4.247 ( -0.458 2.974 2.238) 3.750 4.376 ( -0.631 -4.128 3.374) 5.368 4.642 ( 1.049 -3.850 -2.971) 4.975 4.734 ( 6.453 3.273 2.015) 7.511 4.892 ( 4.231 2.031 -1.300) 4.870 5.032 ( -3.154 -3.803 3.494) 6.052 5.267 ( 0.179 -1.518 -1.264) 1.983 5.312 ( 0.070 -0.652 3.128) 3.196 5.386 ( -6.260 1.694 5.813) 8.709 5.459 ( 1.529 3.410 1.834) 4.162 5.578 ( -4.882 0.608 -5.281) 7.217 5.702 ( 1.098 0.070 0.237) 1.126 5.775 ( -1.441 -5.296 3.438) 6.477 5.878 ( 4.806 3.537 -0.188) 5.970 6.217 ( 2.792 -0.170 -6.143) 6.750 6.318 ( -2.643 2.562 2.257) 4.318 6.553 ( -1.218 -1.012 0.109) 1.588 6.608 ( 3.983 -1.609 -1.943) 4.715 6.907 ( -3.397 -1.286 -7.092) 7.968 7.640 ( 1.895 -4.034 0.793) 4.527 7.720 ( -1.466 0.923 0.040) 1.732 7.767 ( 0.039 -1.234 -0.363) 1.287 7.845 ( 0.189 -0.296 0.628) 0.719 8.140 ( -0.705 0.008 3.582) 3.651 8.224 ( 0.445 -0.672 -1.194) 1.441 8.398 ( 3.084 -2.615 4.116) 5.770 8.507 ( -2.344 -1.616 -1.036) 3.030 9.129 ( -10.582 -4.780 9.748) 15.161 9.297 ( 7.778 -6.202 -0.051) 9.948 9.436 ( 5.197 5.715 4.598) 8.990 9.693 ( -5.284 6.412 -1.168) 8.390 9.788 ( -2.105 1.815 1.667) 3.241 10.285 ( 1.690 -4.811 -20.999) 21.609 10.665 ( 4.983 3.461 5.958) 8.503 10.843 ( 0.847 0.240 -3.800) 3.901 11.046 ( 2.631 -1.411 -4.269) 5.210 11.069 ( -1.389 -0.100 -1.201) 1.839 11.274 ( -0.928 4.171 4.402) 6.135 11.482 ( 0.333 8.964 -0.951) 9.020 11.660 ( -0.315 -4.188 4.320) 6.025 11.866 ( 1.555 -6.404 -3.757) 7.586 12.007 ( -1.750 -0.137 1.877) 2.570 12.044 ( 0.325 -1.206 1.919) 2.290 12.408 ( -5.678 -3.261 4.967) 8.219 12.595 ( -2.397 0.031 -2.363) 3.366 12.690 ( 1.706 2.724 2.207) 3.899 12.808 ( 2.375 -7.135 0.609) 7.544 13.197 ( -0.825 -3.838 1.864) 4.346 13.491 ( 3.132 -3.291 -6.543) 7.965 13.891 ( -5.920 0.516 3.031) 6.670 13.992 ( 3.803 -0.119 -1.461) 4.076 14.159 ( -2.048 2.378 1.860) 3.648 14.249 ( 3.269 3.216 -1.496) 4.823 15.109 ( 1.476 -3.680 6.602) 7.701 15.370 ( -2.770 -5.379 -5.773) 8.362 16.863 ( -5.811 7.756 9.500) 13.571 17.332 ( 6.807 4.836 -11.770) 14.431 18.166 ( -3.465 1.096 4.200) 5.554 18.419 ( 3.910 1.968 -6.404) 7.757 20.977 ( -2.940 -2.412 7.203) 8.145 21.232 ( 3.524 0.164 -4.881) 6.022 21.637 ( 1.229 -0.244 1.858) 2.241 21.701 ( -2.676 1.947 -2.540) 4.172 22.019 ( -0.064 -1.125 3.962) 4.119 22.227 ( -4.087 -6.970 -6.255) 10.218 23.040 ( 1.316 1.888 6.637) 7.025 23.343 ( 4.393 -1.055 -4.492) 6.371 23.711 ( -0.105 2.024 1.409) 2.468 23.744 ( -2.024 -1.652 1.754) 3.147 23.760 ( 3.918 3.230 0.069) 5.078 23.820 ( -1.082 -2.696 -2.271) 3.687 23.986 ( 0.946 2.609 4.235) 5.063 24.125 ( -0.188 1.499 -1.854) 2.391 24.303 ( 0.629 2.682 -0.781) 2.863 24.340 ( -3.612 -0.394 -1.207) 3.828 ======================= Grid point 192 (94/140) ======================= q-point: (-0.11 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -8.558 10.988 17.824) 22.620 1.760 ( 3.018 14.324 6.445) 15.994 1.898 ( -1.395 8.147 -4.941) 9.629 2.168 ( 8.735 6.704 -2.906) 11.388 2.309 ( 3.345 3.743 10.593) 11.723 2.467 ( -8.084 3.305 -3.150) 9.284 2.580 ( 9.439 6.038 -1.522) 11.307 2.680 ( 0.027 -4.736 -4.136) 6.287 2.798 ( 5.764 0.772 2.852) 6.477 2.874 ( -4.299 0.822 5.303) 6.876 2.957 ( 1.012 6.508 0.464) 6.603 3.020 ( -5.840 10.963 -0.524) 12.432 3.092 ( -1.032 -0.236 -3.543) 3.698 3.191 ( 1.799 3.270 -1.385) 3.981 3.349 ( 3.478 1.449 3.247) 4.974 3.511 ( 1.907 0.309 -0.882) 2.124 3.569 ( -7.753 -0.820 -3.361) 8.490 3.725 ( -6.350 6.382 -4.506) 10.067 3.876 ( 7.331 -4.205 -1.253) 8.544 3.988 ( 1.568 -0.517 -9.027) 9.176 4.067 ( -5.334 1.606 5.326) 7.707 4.187 ( 2.156 4.716 3.943) 6.514 4.476 ( -0.699 -5.673 1.634) 5.945 4.680 ( -2.355 0.986 -0.437) 2.591 4.745 ( 7.092 -1.006 -4.828) 8.638 4.815 ( 1.623 5.241 -3.045) 6.275 5.101 ( -3.865 -4.549 5.431) 8.070 5.267 ( -3.780 6.329 7.883) 10.793 5.318 ( -1.513 -4.661 -0.943) 4.990 5.372 ( -2.523 -2.699 3.761) 5.272 5.490 ( 0.328 -3.001 0.080) 3.020 5.517 ( -2.343 -0.271 -3.962) 4.611 5.721 ( 2.087 -1.073 -2.086) 3.140 5.842 ( 4.535 -1.390 -2.087) 5.182 5.891 ( 1.451 -0.897 3.873) 4.232 6.135 ( 2.163 6.039 -7.574) 9.925 6.304 ( -5.332 -1.938 3.726) 6.788 6.581 ( 3.153 -3.298 -6.686) 8.095 6.717 ( 3.865 -5.314 5.451) 8.537 6.879 ( -2.204 -1.405 -6.038) 6.579 7.656 ( -4.997 2.587 0.576) 5.656 7.738 ( 1.150 -4.691 0.820) 4.899 7.789 ( 0.947 -1.360 -1.183) 2.036 7.903 ( 2.730 -3.068 -1.750) 4.464 8.108 ( -5.153 -0.359 2.175) 5.605 8.269 ( 4.822 0.644 -0.689) 4.913 8.463 ( 0.884 -0.804 3.030) 3.257 8.503 ( -1.627 -1.056 -0.814) 2.104 9.138 ( -16.503 -3.498 6.315) 18.013 9.391 ( 2.823 5.053 2.756) 6.411 9.493 ( 8.520 -4.926 5.391) 11.222 9.555 ( 0.699 0.642 -3.080) 3.223 9.788 ( -3.347 0.242 7.325) 8.057 10.249 ( 3.283 0.185 -18.232) 18.526 10.669 ( 6.588 4.345 5.339) 9.528 10.803 ( -0.463 1.208 -5.270) 5.427 11.020 ( -0.027 2.385 -2.453) 3.421 11.109 ( 1.744 -2.856 -5.561) 6.490 11.227 ( 1.420 3.003 4.661) 5.724 11.327 ( -3.161 6.855 -2.031) 7.817 11.702 ( -3.296 0.583 5.639) 6.557 11.923 ( 1.035 -2.054 -2.326) 3.271 12.001 ( -1.343 -1.617 1.860) 2.807 12.135 ( 3.182 -3.835 -0.468) 5.005 12.428 ( -10.091 -2.991 5.992) 12.111 12.596 ( 1.779 -1.878 0.924) 2.747 12.711 ( 2.926 -1.293 4.311) 5.368 12.942 ( 2.396 -6.665 -8.656) 11.184 13.313 ( -0.895 -8.278 9.068) 12.311 13.551 ( 1.092 -4.157 -4.777) 6.426 13.822 ( -11.617 -0.218 1.958) 11.782 13.981 ( -0.957 1.216 -2.172) 2.667 14.085 ( -2.389 4.685 -1.069) 5.367 14.255 ( 11.919 2.460 -0.936) 12.206 15.118 ( -11.735 0.760 4.504) 12.592 15.433 ( 9.604 -0.987 -5.142) 10.938 16.757 ( -9.461 2.916 9.497) 13.719 17.293 ( 12.179 1.556 -11.095) 16.548 18.119 ( -3.510 3.355 3.468) 5.966 18.380 ( 4.638 2.754 -6.534) 8.473 21.028 ( -3.952 -2.450 5.891) 7.505 21.243 ( 4.672 -0.003 -4.237) 6.307 21.650 ( -2.537 0.046 -0.388) 2.566 21.668 ( 1.317 -1.763 1.483) 2.654 22.103 ( 3.741 -3.334 9.141) 10.424 22.271 ( -5.587 -5.891 -6.599) 10.463 23.029 ( -0.213 3.235 5.837) 6.677 23.263 ( -2.227 6.265 -8.905) 11.114 23.633 ( -6.132 5.517 -1.639) 8.410 23.652 ( -0.498 7.052 1.264) 7.182 23.833 ( -0.268 -3.547 -1.033) 3.704 23.902 ( 8.357 -4.896 -0.311) 9.690 24.000 ( -0.174 -0.104 3.205) 3.212 24.052 ( 0.384 4.541 -1.229) 4.720 24.298 ( 0.173 -1.777 1.499) 2.331 24.357 ( 2.526 -3.094 -0.305) 4.006 ======================= Grid point 196 (95/140) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.898 ( 1.293 0.000 -13.531) 13.593 1.448 ( -6.026 -0.000 -10.627) 12.216 1.456 ( 3.017 0.000 -15.672) 15.960 1.866 ( 15.582 0.000 10.403) 18.736 2.014 ( 8.592 0.000 5.647) 10.282 2.158 ( -10.058 -0.000 5.021) 11.242 2.401 ( -2.385 -0.000 0.733) 2.495 2.479 ( -0.528 -0.000 -7.980) 7.997 2.604 ( -10.199 -0.000 -5.664) 11.666 2.704 ( -2.431 -0.000 -0.758) 2.546 2.844 ( 4.834 0.000 3.213) 5.804 2.902 ( -2.523 -0.000 -3.844) 4.598 2.993 ( 6.348 0.000 3.642) 7.318 3.311 ( 1.682 0.000 1.805) 2.467 3.390 ( -2.865 -0.000 -3.831) 4.784 3.547 ( 7.652 0.000 -1.585) 7.815 3.690 ( -7.762 -0.000 0.707) 7.794 3.736 ( 1.736 0.000 8.993) 9.159 3.810 ( 2.096 0.000 2.995) 3.656 3.822 ( -2.336 -0.000 -5.455) 5.934 3.908 ( 0.727 0.000 -4.651) 4.707 4.217 ( -4.436 -0.000 0.690) 4.489 4.540 ( 2.628 0.000 0.944) 2.792 4.601 ( -5.443 -0.000 4.906) 7.328 4.744 ( -2.578 -0.000 -7.991) 8.396 4.861 ( 3.114 0.000 2.065) 3.736 5.043 ( -1.962 -0.000 4.610) 5.011 5.246 ( 5.598 0.000 3.162) 6.429 5.323 ( 1.530 0.000 3.623) 3.933 5.503 ( -3.550 -0.000 3.161) 4.753 5.576 ( 3.498 0.000 5.481) 6.502 5.730 ( -9.113 -0.000 -5.303) 10.544 5.799 ( 1.843 0.000 -2.589) 3.178 6.058 ( -0.854 -0.000 -5.029) 5.101 6.146 ( 2.650 0.000 -4.062) 4.850 6.150 ( -0.928 -0.000 7.521) 7.578 6.329 ( 9.280 0.000 2.332) 9.568 6.458 ( -8.263 -0.000 5.298) 9.816 6.572 ( 1.415 0.000 -6.276) 6.433 7.109 ( 8.882 0.000 -12.411) 15.261 7.767 ( 1.823 0.000 6.771) 7.012 7.790 ( 5.643 0.000 0.693) 5.685 7.831 ( 2.575 0.000 2.665) 3.706 8.032 ( 4.864 0.000 -4.429) 6.578 8.086 ( 2.816 0.000 -0.201) 2.824 8.129 ( -5.563 -0.000 -0.769) 5.616 8.294 ( -3.317 -0.000 0.199) 3.323 8.554 ( -2.982 -0.000 2.447) 3.858 8.681 ( -18.501 -0.000 8.767) 20.473 9.066 ( -5.524 -0.000 -3.588) 6.587 9.367 ( -7.003 -0.000 -8.933) 11.351 9.671 ( -2.439 -0.000 -17.142) 17.314 10.009 ( 0.354 0.000 10.589) 10.595 10.301 ( 7.867 0.000 2.787) 8.346 10.666 ( -1.322 -0.000 -2.842) 3.135 10.773 ( 3.647 0.000 -0.614) 3.698 10.813 ( -7.539 -0.000 0.200) 7.542 10.823 ( 5.959 0.000 -3.569) 6.946 11.035 ( -4.507 -0.000 1.233) 4.673 11.517 ( 0.571 0.000 -5.027) 5.060 11.714 ( -2.395 -0.000 11.672) 11.915 11.859 ( -4.530 -0.000 0.696) 4.583 12.013 ( -0.602 -0.000 3.706) 3.755 12.176 ( 2.908 0.000 6.016) 6.682 12.666 ( -0.576 -0.000 -7.142) 7.165 12.923 ( 5.226 0.000 4.190) 6.699 12.944 ( 3.270 0.000 -9.197) 9.761 13.153 ( -3.808 -0.000 8.985) 9.759 13.190 ( 9.425 0.000 -10.139) 13.843 13.627 ( -4.007 -0.000 -7.085) 8.140 13.647 ( -6.794 -0.000 7.063) 9.800 13.795 ( 3.605 0.000 -9.928) 10.562 14.044 ( 6.872 0.000 0.587) 6.897 14.366 ( -3.502 -0.000 2.130) 4.099 14.604 ( -13.463 -0.000 2.543) 13.701 14.644 ( -11.224 -0.000 0.589) 11.240 17.504 ( 21.201 0.000 1.982) 21.293 18.026 ( 2.670 0.000 12.316) 12.602 18.056 ( 0.829 0.000 7.390) 7.436 18.369 ( 5.930 0.000 -5.527) 8.106 20.977 ( -2.546 -0.000 1.963) 3.215 21.294 ( 4.257 0.000 -3.347) 5.415 21.729 ( -4.515 -0.000 1.271) 4.690 21.785 ( -3.676 -0.000 -1.694) 4.047 21.988 ( -3.070 -0.000 -10.270) 10.719 22.516 ( -14.155 -0.000 -13.678) 19.684 22.857 ( 0.735 0.000 7.150) 7.188 22.960 ( 3.656 0.000 5.818) 6.871 23.204 ( -2.562 -0.000 11.222) 11.511 23.224 ( 3.666 0.000 2.895) 4.671 23.879 ( -0.406 -0.000 -3.075) 3.101 23.912 ( -2.454 -0.000 -5.237) 5.784 24.076 ( 4.242 0.000 4.420) 6.126 24.082 ( 1.693 0.000 4.574) 4.878 24.296 ( 1.916 0.000 4.969) 5.326 25.097 ( 8.823 0.000 -10.208) 13.493 ======================= Grid point 197 (96/140) ======================= q-point: ( 0.44 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 1.250 -23.498 -7.272) 24.629 1.506 ( 8.081 -9.050 -11.831) 16.947 1.536 ( -2.526 -16.717 -8.888) 19.101 2.007 ( 6.221 -1.483 7.642) 9.965 2.087 ( 6.557 1.634 7.395) 10.017 2.202 ( -3.039 -8.783 -2.007) 9.508 2.345 ( -11.299 -1.444 -6.213) 12.975 2.460 ( -6.162 -0.049 -2.622) 6.697 2.549 ( -0.653 -4.788 3.344) 5.876 2.692 ( -0.600 -1.168 -4.826) 5.002 2.817 ( -2.230 1.059 -8.245) 8.607 2.965 ( 3.363 -4.090 4.712) 7.088 3.025 ( 3.885 2.711 4.752) 6.710 3.296 ( 1.439 2.172 2.055) 3.318 3.459 ( -3.341 -7.169 -1.816) 8.115 3.516 ( 1.121 3.048 -3.562) 4.820 3.596 ( -6.148 0.810 -1.548) 6.391 3.750 ( 1.367 4.047 8.920) 9.889 3.843 ( 0.176 -2.506 0.177) 2.518 3.887 ( 5.506 -5.434 -3.314) 8.415 3.974 ( 4.338 -5.241 -1.744) 7.023 4.184 ( -4.638 -0.865 -0.574) 4.753 4.538 ( -3.889 0.618 -2.407) 4.615 4.554 ( -0.818 2.357 2.658) 3.646 4.699 ( -0.710 0.143 -3.886) 3.953 4.909 ( -1.659 -2.145 0.262) 2.725 5.047 ( -2.530 1.493 5.832) 6.530 5.255 ( 3.064 9.229 3.492) 10.332 5.315 ( 3.295 -1.041 6.904) 7.720 5.531 ( 3.001 0.820 -3.832) 4.936 5.583 ( -4.208 2.005 -0.578) 4.697 5.626 ( 3.004 0.937 6.308) 7.049 5.820 ( 0.501 -1.770 -4.930) 5.262 5.910 ( -0.483 9.765 -1.924) 9.964 6.147 ( 3.104 0.915 -2.518) 4.100 6.230 ( 0.317 -3.833 7.764) 8.664 6.351 ( -5.217 5.406 4.290) 8.651 6.457 ( 2.255 -2.564 1.133) 3.597 6.591 ( 0.023 -3.541 -4.744) 5.919 7.109 ( 6.198 0.955 -10.157) 11.937 7.733 ( -1.522 6.324 4.617) 7.977 7.856 ( 4.362 -1.684 0.581) 4.712 7.869 ( 3.022 0.194 1.791) 3.518 8.067 ( 5.405 -0.897 -1.857) 5.785 8.109 ( -3.310 -1.781 -0.640) 3.813 8.133 ( 2.034 -2.423 0.068) 3.164 8.288 ( -2.309 -1.794 0.772) 3.024 8.541 ( -5.178 0.927 2.958) 6.035 8.585 ( -10.611 -0.263 10.882) 15.202 9.038 ( -4.713 -3.305 -5.790) 8.165 9.275 ( -5.353 -2.057 -9.959) 11.493 9.672 ( -2.650 -11.105 -19.600) 22.683 10.022 ( 0.157 4.488 10.138) 11.088 10.324 ( 5.842 4.444 0.904) 7.395 10.649 ( -1.255 -0.237 -0.000) 1.277 10.767 ( -4.022 -1.246 0.853) 4.296 10.844 ( 2.226 -3.811 -2.308) 4.981 10.880 ( 5.890 -3.994 -2.578) 7.568 11.023 ( -3.575 -1.488 2.327) 4.518 11.462 ( -5.539 -0.974 -11.359) 12.675 11.762 ( -2.149 -0.942 11.932) 12.160 11.855 ( 0.694 1.151 5.651) 5.808 12.016 ( 1.099 1.991 2.913) 3.696 12.197 ( -0.414 3.188 7.473) 8.135 12.607 ( -1.397 1.644 -8.282) 8.559 12.702 ( 8.474 14.106 -6.417) 17.663 13.057 ( 1.031 1.665 -0.271) 1.977 13.125 ( -3.480 4.135 6.540) 8.484 13.263 ( -0.708 -4.049 -10.854) 11.606 13.507 ( 5.062 5.365 -1.524) 7.532 13.658 ( -5.539 -3.857 3.330) 7.527 13.789 ( 4.170 -0.213 -5.739) 7.097 14.134 ( 7.206 -2.101 2.069) 7.786 14.352 ( -3.760 0.154 2.181) 4.350 14.483 ( -6.657 -2.710 1.985) 7.457 14.761 ( -12.275 -15.203 0.032) 19.540 17.595 ( 19.033 9.212 4.410) 21.600 18.012 ( -1.768 8.478 8.463) 12.109 18.093 ( -1.214 -1.072 7.366) 7.542 18.396 ( 4.958 -1.063 -5.282) 7.322 20.969 ( -2.765 0.060 2.796) 3.933 21.302 ( 4.056 0.633 -4.922) 6.410 21.671 ( -3.870 2.597 -0.154) 4.663 21.752 ( -2.192 -0.013 -0.542) 2.258 21.929 ( -3.162 -1.210 -8.682) 9.319 22.364 ( -13.334 -2.622 -17.252) 21.962 22.887 ( 2.642 0.960 7.004) 7.547 23.006 ( 3.437 -0.118 7.106) 7.895 23.302 ( -0.890 -5.599 7.267) 9.216 23.326 ( 2.982 -5.890 7.733) 10.168 23.855 ( -0.279 0.251 -4.320) 4.336 23.875 ( -2.114 -0.760 -5.054) 5.531 24.096 ( 1.557 1.527 4.635) 5.122 24.135 ( 1.779 -0.392 4.587) 4.936 24.334 ( 2.072 0.859 6.492) 6.869 25.042 ( 6.377 7.435 -10.713) 14.516 ======================= Grid point 198 (97/140) ======================= q-point: ( 0.56 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( -1.464 -25.248 -4.093) 25.619 1.713 ( 9.294 -10.945 -1.780) 14.468 1.803 ( 1.531 -18.514 -9.912) 21.056 2.018 ( -6.177 2.254 5.837) 8.792 2.172 ( 0.122 -1.818 3.683) 4.109 2.289 ( -6.697 -5.367 -5.984) 10.462 2.317 ( -1.378 -8.133 0.468) 8.262 2.457 ( 1.964 -3.432 -0.982) 4.075 2.675 ( -2.835 -2.472 -6.181) 7.235 2.703 ( -0.412 -7.843 5.078) 9.352 2.760 ( 1.198 0.608 -9.309) 9.406 2.951 ( 0.005 0.886 -1.939) 2.132 3.148 ( 2.505 -4.328 10.198) 11.358 3.262 ( 1.731 4.543 0.369) 4.875 3.434 ( -0.892 2.029 3.704) 4.317 3.530 ( -1.020 -4.254 -4.242) 6.094 3.660 ( -3.768 -8.886 1.384) 9.751 3.714 ( -1.467 3.229 6.401) 7.317 3.879 ( -1.876 -1.632 -5.013) 5.596 3.975 ( 2.118 -3.737 -4.548) 6.256 4.095 ( 10.026 -4.130 -2.593) 11.149 4.194 ( -2.921 -3.221 0.729) 4.409 4.464 ( -2.498 3.945 -0.487) 4.695 4.522 ( -2.301 -0.808 -3.369) 4.159 4.705 ( 2.981 -0.090 1.330) 3.265 4.885 ( -4.912 0.070 -4.030) 6.354 5.005 ( -2.228 3.712 5.799) 7.237 5.190 ( 4.583 3.389 5.894) 8.199 5.355 ( -2.045 2.134 0.281) 2.969 5.455 ( -2.347 1.689 5.571) 6.277 5.593 ( 1.169 -0.041 -4.332) 4.487 5.666 ( 5.443 1.912 5.448) 7.934 5.790 ( 1.363 5.368 3.930) 6.792 5.822 ( 3.492 0.326 -6.820) 7.669 6.132 ( 3.136 3.143 -0.706) 4.496 6.202 ( -7.646 5.181 3.778) 9.979 6.361 ( 3.851 -2.995 9.014) 10.250 6.490 ( 0.554 -1.151 -1.957) 2.337 6.616 ( -1.806 -2.218 -3.519) 4.535 7.047 ( -0.494 3.862 -9.335) 10.114 7.634 ( -1.041 5.603 4.436) 7.222 7.820 ( -0.060 4.689 -3.106) 5.625 7.939 ( 3.366 -1.552 3.042) 4.795 8.058 ( 3.461 6.399 -0.309) 7.281 8.131 ( 3.055 -0.849 1.857) 3.675 8.183 ( -2.196 -2.793 -0.730) 3.627 8.302 ( -1.538 -2.057 2.703) 3.729 8.444 ( -8.518 3.883 4.035) 10.194 8.739 ( 1.851 -11.824 11.250) 16.426 9.045 ( -2.022 -3.777 -5.146) 6.696 9.277 ( -3.005 -7.023 -8.935) 11.756 9.778 ( -2.526 -15.030 -22.174) 26.907 9.968 ( 0.670 6.968 7.898) 10.553 10.247 ( 2.466 8.226 -1.659) 8.746 10.662 ( -2.358 -1.486 4.549) 5.335 10.779 ( 0.959 -1.717 -2.301) 3.028 10.906 ( 1.950 -4.042 -2.187) 4.992 11.041 ( 5.795 -8.222 0.355) 10.065 11.053 ( -1.106 -4.008 2.404) 4.803 11.384 ( -8.295 -2.775 -10.054) 13.327 11.808 ( -0.970 0.994 8.576) 8.688 11.867 ( 1.618 1.895 5.408) 5.954 11.973 ( 1.853 5.997 2.760) 6.857 12.146 ( -5.688 3.573 8.139) 10.553 12.520 ( -0.976 2.400 -8.603) 8.985 12.542 ( 7.648 8.682 -6.643) 13.342 12.961 ( -2.261 8.841 6.055) 10.952 13.044 ( -2.889 4.657 -3.297) 6.396 13.157 ( -1.406 4.478 -3.222) 5.693 13.510 ( 2.865 0.312 -9.028) 9.477 13.761 ( 2.028 -7.220 3.536) 8.291 13.823 ( 2.944 -2.233 0.272) 3.705 14.195 ( 1.802 0.015 2.996) 3.496 14.319 ( -4.541 0.166 0.925) 4.637 14.622 ( 3.495 -10.881 4.395) 12.244 14.924 ( -10.340 -14.689 -1.694) 18.043 17.526 ( 11.530 16.196 6.940) 21.057 17.836 ( -1.278 12.465 0.917) 12.563 18.133 ( -2.405 -1.181 7.414) 7.884 18.424 ( 4.018 -1.204 -5.459) 6.884 20.955 ( -3.250 0.690 3.962) 5.171 21.287 ( 4.072 1.417 -6.950) 8.179 21.616 ( -1.976 0.841 0.846) 2.308 21.744 ( -1.978 -0.703 -0.436) 2.144 21.912 ( -1.595 -3.375 -6.334) 7.352 22.224 ( -9.665 0.273 -12.798) 16.040 22.948 ( 2.021 -1.784 7.408) 7.883 23.090 ( 3.725 -3.535 3.350) 6.131 23.439 ( -0.173 -7.004 6.755) 9.732 23.492 ( 2.407 -6.623 7.275) 10.128 23.827 ( -0.673 0.095 -4.486) 4.537 23.859 ( -0.685 -0.742 -3.581) 3.721 24.098 ( 0.077 1.272 3.666) 3.881 24.159 ( 0.756 0.681 2.343) 2.554 24.353 ( 1.920 2.214 5.733) 6.438 24.854 ( 2.438 12.527 -10.142) 16.301 ======================= Grid point 199 (98/140) ======================= q-point: (-0.33 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( -5.589 -8.950 2.481) 10.840 1.929 ( -3.629 -3.570 0.386) 5.106 1.994 ( 6.612 -11.842 5.232) 14.537 2.068 ( -6.150 -9.314 -7.717) 13.569 2.205 ( 4.367 -3.085 7.259) 9.016 2.317 ( -8.748 -9.808 -6.637) 14.724 2.475 ( 1.907 -2.848 0.594) 3.479 2.524 ( 7.957 -3.835 -2.473) 9.173 2.657 ( -3.506 -0.662 -6.281) 7.224 2.720 ( 3.567 -3.134 -0.995) 4.851 2.884 ( 0.355 -9.084 -0.227) 9.094 2.973 ( -1.895 -2.862 -3.359) 4.802 3.155 ( 4.897 6.537 3.882) 9.043 3.264 ( -1.693 -1.779 0.973) 2.642 3.438 ( 0.434 0.270 4.050) 4.082 3.634 ( 1.118 -5.447 -0.529) 5.586 3.667 ( -3.345 -0.176 6.950) 7.715 3.770 ( -3.093 -4.776 -1.902) 6.000 3.793 ( -1.659 3.244 -9.642) 10.308 4.041 ( 1.043 -3.760 -2.438) 4.601 4.203 ( 2.093 -0.138 -1.731) 2.720 4.222 ( -1.095 -3.729 1.633) 4.216 4.391 ( -0.887 3.015 0.046) 3.143 4.517 ( -1.464 -2.174 -2.841) 3.866 4.759 ( 7.900 -1.581 1.082) 8.129 4.860 ( -3.950 -3.183 -3.662) 6.256 4.959 ( 0.779 3.694 7.680) 8.558 5.242 ( 3.785 -0.935 2.322) 4.538 5.278 ( -3.620 0.889 -1.909) 4.188 5.447 ( -5.893 0.794 9.192) 10.947 5.569 ( -2.049 0.785 -3.111) 3.807 5.670 ( 3.248 3.967 2.375) 5.650 5.731 ( -1.340 4.557 1.041) 4.863 5.792 ( 4.639 3.817 -2.205) 6.399 6.045 ( -1.669 5.740 2.290) 6.401 6.165 ( 3.696 -0.295 -1.038) 3.851 6.456 ( 5.040 3.867 7.562) 9.876 6.514 ( -2.916 -4.700 1.549) 5.744 6.606 ( 0.477 0.023 -4.769) 4.792 6.913 ( -5.245 2.581 -9.857) 11.460 7.589 ( 0.936 2.015 3.245) 3.933 7.723 ( 0.492 3.957 -3.956) 5.616 7.912 ( -2.539 6.412 3.106) 7.563 7.980 ( 2.136 5.506 0.539) 5.931 8.160 ( 3.907 1.834 3.672) 5.666 8.222 ( 1.453 -3.439 0.896) 3.839 8.336 ( -5.195 1.986 2.353) 6.039 8.386 ( -0.630 -4.438 0.897) 4.572 8.959 ( -6.915 -7.171 9.330) 13.649 9.110 ( 5.466 -5.626 -1.177) 7.932 9.380 ( 1.766 -8.782 -1.778) 9.132 9.858 ( -4.300 0.090 -1.447) 4.538 9.915 ( 0.098 -3.234 -13.619) 13.998 10.101 ( 3.228 6.185 -6.795) 9.739 10.691 ( -2.243 -1.064 5.671) 6.191 10.818 ( 5.677 -1.836 -4.334) 7.374 10.975 ( 1.016 -2.255 -0.369) 2.501 11.093 ( -0.553 -2.055 0.497) 2.185 11.266 ( 5.198 -7.944 1.285) 9.580 11.372 ( -5.706 -9.173 -4.669) 11.769 11.753 ( -1.445 6.268 2.508) 6.904 11.817 ( 1.227 7.403 -0.475) 7.519 11.957 ( -1.122 -1.164 9.039) 9.182 12.084 ( -5.745 2.487 5.043) 8.039 12.441 ( 5.624 5.023 -4.152) 8.608 12.481 ( -1.820 -2.416 -6.485) 7.156 12.832 ( -3.343 7.047 6.194) 9.960 12.911 ( 1.761 7.385 -1.946) 7.837 13.118 ( -1.389 -0.519 -0.331) 1.520 13.453 ( 0.659 0.942 -11.332) 11.391 13.868 ( -2.567 -2.249 3.863) 5.154 13.913 ( 2.649 -4.898 0.724) 5.615 14.216 ( 2.935 0.726 2.685) 4.044 14.296 ( -0.513 0.275 -0.069) 0.586 14.860 ( 0.735 -10.597 6.669) 12.542 15.080 ( -2.295 -11.870 -3.706) 12.645 17.307 ( -1.284 17.814 8.162) 19.637 17.624 ( 4.031 12.101 -5.766) 13.997 18.167 ( -2.181 -0.761 6.817) 7.198 18.441 ( 3.517 -0.546 -5.881) 6.874 20.943 ( -3.237 0.237 5.657) 6.522 21.255 ( 3.497 1.404 -7.548) 8.436 21.625 ( 0.843 -0.926 2.606) 2.891 21.728 ( -3.362 -0.468 -2.038) 3.959 21.950 ( -0.216 -3.702 -2.455) 4.447 22.109 ( -5.198 0.006 -7.574) 9.186 23.030 ( 0.549 -2.247 6.931) 7.306 23.206 ( 4.538 -5.275 -0.052) 6.958 23.581 ( 0.343 -6.094 4.942) 7.853 23.639 ( 0.870 -5.319 6.043) 8.098 23.800 ( -0.208 0.410 -3.932) 3.958 23.849 ( 0.724 0.341 -2.078) 2.227 24.089 ( -2.314 0.682 1.988) 3.126 24.150 ( 1.505 1.842 0.427) 2.417 24.346 ( 1.940 2.790 3.837) 5.126 24.593 ( -2.127 12.551 -8.054) 15.064 ======================= Grid point 200 (99/140) ======================= q-point: (-0.22 -0.67 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.767 ( -9.924 3.991 15.263) 18.638 1.988 ( -2.771 -3.083 -1.955) 4.583 2.031 ( -2.496 -0.937 -4.179) 4.957 2.241 ( 3.321 -5.608 6.963) 9.538 2.333 ( 3.221 -4.615 -1.064) 5.727 2.423 ( -0.471 -6.742 -5.838) 8.931 2.498 ( 0.401 -2.165 -3.163) 3.854 2.579 ( 4.142 -0.214 -2.651) 4.922 2.711 ( 2.062 -6.906 2.737) 7.709 2.859 ( 1.280 -7.477 1.329) 7.701 2.913 ( 0.619 2.826 -1.531) 3.273 3.007 ( 0.971 -3.638 -5.612) 6.758 3.147 ( -0.803 0.180 2.354) 2.494 3.250 ( -1.629 0.529 -0.796) 1.889 3.473 ( 3.902 -1.189 -0.176) 4.083 3.573 ( 0.223 6.645 0.115) 6.650 3.674 ( -9.446 -2.246 -2.155) 9.946 3.760 ( 1.432 2.147 3.578) 4.412 3.854 ( 6.849 -4.295 -1.936) 8.313 4.057 ( 1.019 1.235 -5.315) 5.551 4.154 ( -3.924 3.354 0.787) 5.222 4.254 ( -4.856 -1.689 1.183) 5.276 4.356 ( 0.988 1.165 1.944) 2.472 4.557 ( 1.273 -4.038 -2.029) 4.695 4.844 ( -5.306 -3.824 -3.569) 7.451 4.881 ( 11.206 1.968 1.672) 11.499 4.994 ( 0.866 -1.996 6.542) 6.895 5.214 ( -3.134 -1.169 -4.918) 5.948 5.322 ( -0.196 -1.138 6.110) 6.218 5.410 ( -5.505 2.963 6.636) 9.118 5.507 ( -5.501 -0.181 -6.966) 8.878 5.582 ( 2.327 7.458 0.124) 7.814 5.707 ( -1.948 -2.347 4.691) 5.596 5.750 ( 2.635 3.792 0.685) 4.668 5.977 ( 1.115 3.783 1.284) 4.147 6.207 ( 5.400 -1.184 -4.311) 7.011 6.384 ( -3.383 5.990 1.879) 7.131 6.537 ( 0.151 0.911 -3.186) 3.317 6.634 ( 4.732 -0.763 4.462) 6.549 6.827 ( -2.824 -1.108 -7.717) 8.292 7.607 ( 1.686 -1.570 1.411) 2.702 7.681 ( 0.128 -0.681 -3.806) 3.868 7.799 ( -4.496 4.782 2.764) 7.122 7.905 ( 1.986 4.548 1.226) 5.112 8.163 ( -2.434 2.270 0.822) 3.428 8.236 ( 3.258 0.516 1.526) 3.634 8.380 ( 2.454 -4.389 4.174) 6.535 8.444 ( -1.334 -2.996 -1.838) 3.759 8.998 ( -12.251 -4.012 6.224) 14.315 9.269 ( 8.913 -6.002 1.516) 10.852 9.536 ( 3.341 -3.914 7.215) 8.862 9.762 ( -10.450 7.623 -7.183) 14.796 9.790 ( -2.447 3.380 2.631) 4.933 10.135 ( 11.673 -5.960 -17.915) 22.198 10.726 ( 0.096 -1.534 3.381) 3.714 10.867 ( 7.090 0.449 -4.839) 8.596 10.983 ( -2.719 -0.774 -0.039) 2.827 11.100 ( 2.497 1.222 -2.856) 3.986 11.327 ( -4.363 -0.079 4.997) 6.634 11.536 ( -1.320 -8.171 -2.057) 8.529 11.654 ( 1.047 8.768 1.252) 8.919 11.750 ( 1.698 -5.401 -1.916) 5.977 12.012 ( -5.554 2.133 2.484) 6.447 12.027 ( 0.157 -1.695 5.738) 5.985 12.408 ( 2.292 1.928 1.328) 3.276 12.513 ( -1.659 -4.984 -4.218) 6.737 12.746 ( -2.359 3.125 4.762) 6.165 12.833 ( 6.346 4.433 -1.082) 7.816 13.130 ( -3.712 -2.838 2.089) 5.119 13.413 ( 0.439 -2.124 -10.080) 10.311 13.854 ( -9.083 0.820 4.351) 10.104 13.976 ( -1.751 -2.142 -0.843) 2.892 14.234 ( 5.303 2.865 1.971) 6.342 14.313 ( 6.650 0.163 -1.197) 6.759 15.002 ( -10.527 -7.379 4.579) 13.647 15.273 ( 11.364 -8.375 -2.188) 14.285 17.030 ( -9.589 13.897 7.781) 18.590 17.453 ( 7.342 8.814 -9.028) 14.598 18.183 ( -2.044 0.648 5.571) 5.969 18.439 ( 3.584 0.550 -6.212) 7.193 20.956 ( -3.447 -1.190 7.026) 7.916 21.233 ( 3.547 0.186 -6.684) 7.569 21.657 ( 0.510 0.076 2.025) 2.089 21.693 ( -1.829 0.548 -2.081) 2.824 21.991 ( -0.933 -2.941 1.630) 3.489 22.098 ( -0.140 -3.681 -4.100) 5.512 23.085 ( -1.307 -0.615 6.410) 6.571 23.313 ( 3.665 -3.760 -4.670) 7.027 23.682 ( -0.896 -3.868 2.688) 4.795 23.717 ( -1.903 -1.188 2.942) 3.700 23.778 ( 0.669 0.182 -2.323) 2.425 23.843 ( 3.546 1.023 -1.368) 3.936 24.047 ( -2.879 2.372 2.009) 4.237 24.141 ( 2.483 1.157 -0.546) 2.793 24.333 ( 1.515 1.916 1.972) 3.139 24.370 ( -3.919 6.844 -3.877) 8.788 ======================= Grid point 201 (100/140) ======================= q-point: (-0.11 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.677 ( -6.185 7.351 15.254) 18.028 1.934 ( -2.561 3.973 1.445) 4.943 2.019 ( 2.410 5.161 -1.491) 5.889 2.299 ( 5.471 2.332 1.399) 6.109 2.389 ( -1.781 -0.811 -5.107) 5.469 2.414 ( -2.315 2.305 -0.404) 3.291 2.553 ( 3.335 -7.016 -2.712) 8.228 2.693 ( 7.948 -3.224 -0.302) 8.583 2.809 ( -6.632 0.202 -5.365) 8.533 2.831 ( -4.322 -4.571 5.198) 8.160 2.924 ( -1.357 3.402 -3.864) 5.324 3.080 ( 3.418 -3.899 2.755) 5.872 3.128 ( -0.552 0.011 -3.701) 3.742 3.229 ( 0.580 2.796 3.540) 4.548 3.428 ( -3.664 2.552 -4.283) 6.187 3.541 ( -0.165 4.780 1.121) 4.913 3.620 ( 6.579 3.964 3.476) 8.431 3.768 ( -0.359 1.472 0.653) 1.650 3.910 ( 7.757 2.100 -1.264) 8.135 3.982 ( 3.713 2.132 -8.831) 9.814 4.080 ( -7.749 2.587 7.132) 10.844 4.258 ( -0.095 -0.381 3.152) 3.176 4.387 ( -0.732 -3.305 1.543) 3.720 4.616 ( -1.319 -2.879 -4.453) 5.464 4.811 ( -2.733 0.809 -3.713) 4.681 4.884 ( 4.774 5.415 -0.511) 7.238 5.052 ( -0.895 -1.472 5.450) 5.716 5.216 ( -2.233 -3.974 -4.091) 6.125 5.313 ( -6.402 0.583 6.730) 9.307 5.374 ( -6.106 2.521 -1.736) 6.831 5.444 ( 1.562 -1.314 2.137) 2.955 5.547 ( 4.328 2.430 1.205) 5.108 5.721 ( 2.593 1.063 -2.417) 3.700 5.788 ( -1.872 -5.311 4.262) 7.062 5.932 ( -0.182 2.070 0.150) 2.083 6.210 ( 4.762 3.336 -6.516) 8.733 6.286 ( -4.184 2.478 3.553) 6.022 6.520 ( 2.243 -1.956 -6.342) 7.005 6.722 ( 5.419 -2.110 7.404) 9.414 6.809 ( -0.566 -1.337 -5.824) 6.002 7.649 ( -3.862 1.114 -2.209) 4.587 7.684 ( 1.857 -3.155 1.258) 3.871 7.749 ( -2.616 -2.349 0.502) 3.552 7.894 ( 3.106 0.119 1.326) 3.380 8.085 ( -4.728 1.799 -0.812) 5.123 8.298 ( 5.040 -1.543 1.510) 5.483 8.439 ( -2.618 -0.475 -1.674) 3.144 8.482 ( 1.149 -2.637 2.569) 3.857 8.995 ( -12.278 -3.546 5.736) 14.008 9.455 ( 5.355 -1.939 0.920) 5.769 9.504 ( -3.984 2.808 -0.274) 4.882 9.625 ( 3.909 2.917 3.620) 6.074 9.758 ( -5.855 -1.984 2.625) 6.716 10.218 ( 12.193 -1.116 -13.249) 18.040 10.757 ( 0.336 -0.715 -1.835) 1.998 10.842 ( 5.948 4.970 -1.170) 7.839 10.986 ( -4.266 -2.250 -3.640) 6.042 11.093 ( 4.386 0.746 -0.984) 4.556 11.293 ( -2.370 2.495 4.952) 6.030 11.452 ( -1.056 9.056 -4.269) 10.067 11.666 ( -4.737 -5.165 5.068) 8.649 11.893 ( 5.034 -2.909 -3.067) 6.574 11.932 ( -4.107 -1.997 -0.627) 4.610 12.101 ( 0.572 -3.084 3.382) 4.613 12.396 ( -3.346 2.062 5.180) 6.503 12.561 ( -0.754 -3.173 1.991) 3.822 12.741 ( 0.151 -0.710 2.882) 2.972 12.859 ( 8.949 -1.919 -6.714) 11.351 13.192 ( -5.547 -7.309 6.377) 11.174 13.430 ( -1.042 -4.917 -8.460) 9.841 13.766 ( -10.162 2.431 4.438) 11.353 13.959 ( -4.131 0.277 -1.991) 4.594 14.213 ( 6.412 5.734 0.331) 8.608 14.356 ( 7.698 1.213 -1.073) 7.867 15.008 ( -13.596 -3.004 1.647) 14.021 15.472 ( 12.724 -3.698 -0.193) 13.252 16.805 ( -10.241 6.989 7.016) 14.246 17.372 ( 10.205 3.351 -9.062) 14.053 18.164 ( -2.455 2.417 4.611) 5.756 18.421 ( 4.242 1.569 -6.199) 7.674 20.988 ( -4.271 -1.962 6.213) 7.790 21.242 ( 4.108 -1.098 -5.409) 6.881 21.629 ( -3.042 0.729 -0.945) 3.268 21.690 ( 2.469 0.731 1.505) 2.983 22.085 ( 2.175 -5.677 5.863) 8.446 22.145 ( 0.005 -3.425 -3.213) 4.696 23.084 ( -4.028 1.648 4.836) 6.505 23.293 ( -0.916 3.443 -8.878) 9.567 23.672 ( -3.870 4.051 0.553) 5.630 23.710 ( -3.104 1.203 0.408) 3.354 23.792 ( 1.463 -1.402 -0.344) 2.055 23.888 ( 7.066 -3.338 -0.870) 7.863 24.011 ( -2.880 1.049 1.810) 3.560 24.115 ( 1.435 3.267 -1.241) 3.778 24.281 ( -1.503 0.692 -0.052) 1.655 24.351 ( 3.990 -1.615 1.912) 4.710 ======================= Grid point 206 (101/140) ======================= q-point: ( 0.44 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( 6.403 0.000 -4.881) 8.051 1.291 ( -3.894 -0.000 -9.035) 9.839 1.485 ( 14.073 0.000 -3.862) 14.593 1.988 ( -8.011 -0.000 -0.543) 8.029 2.122 ( 0.693 0.000 -2.275) 2.379 2.194 ( -8.390 -0.000 -0.867) 8.434 2.212 ( 0.820 0.000 1.145) 1.409 2.385 ( -1.814 -0.000 -2.132) 2.800 2.539 ( 1.544 0.000 4.235) 4.508 2.678 ( 1.601 0.000 -1.620) 2.278 2.780 ( -5.316 -0.000 -6.560) 8.444 2.944 ( 2.625 0.000 2.681) 3.752 3.101 ( 0.906 0.000 1.912) 2.116 3.349 ( -2.374 -0.000 2.113) 3.178 3.361 ( 3.952 0.000 0.304) 3.964 3.530 ( -6.511 -0.000 -2.618) 7.017 3.542 ( 4.604 0.000 -9.264) 10.345 3.776 ( -5.772 -0.000 -5.477) 7.957 3.827 ( -1.048 -0.000 1.777) 2.063 3.896 ( 3.126 0.000 8.474) 9.032 3.981 ( 11.810 0.000 2.307) 12.033 4.131 ( -7.439 -0.000 2.536) 7.860 4.505 ( -8.587 -0.000 2.394) 8.915 4.537 ( 1.213 0.000 -4.685) 4.839 4.696 ( 1.721 0.000 -2.901) 3.373 4.908 ( -0.572 -0.000 0.626) 0.848 5.084 ( 0.155 0.000 6.751) 6.752 5.351 ( 0.669 0.000 6.203) 6.239 5.409 ( 3.566 0.000 2.243) 4.213 5.482 ( 0.666 0.000 -2.150) 2.251 5.555 ( -4.371 -0.000 -7.066) 8.309 5.717 ( 4.486 0.000 10.393) 11.320 5.785 ( 1.883 0.000 -5.531) 5.843 6.014 ( -0.299 -0.000 -0.658) 0.723 6.168 ( -2.971 -0.000 4.907) 5.737 6.174 ( 4.348 0.000 -1.878) 4.737 6.348 ( -11.363 -0.000 3.740) 11.962 6.532 ( 1.976 0.000 -6.988) 7.261 6.533 ( 8.399 0.000 7.525) 11.277 7.114 ( 6.287 0.000 -11.368) 12.991 7.789 ( -4.704 -0.000 3.069) 5.617 7.886 ( 4.473 0.000 1.334) 4.667 7.920 ( 5.065 0.000 2.818) 5.797 8.004 ( -5.923 -0.000 -2.942) 6.614 8.093 ( 6.909 0.000 -3.170) 7.602 8.118 ( -1.097 -0.000 -0.031) 1.097 8.280 ( 0.303 0.000 3.237) 3.252 8.530 ( -3.730 -0.000 2.974) 4.770 8.577 ( -7.118 -0.000 12.711) 14.568 8.937 ( -5.098 -0.000 -5.672) 7.626 9.170 ( -5.452 -0.000 -10.884) 12.173 9.462 ( -0.355 -0.000 -21.190) 21.193 10.113 ( -0.407 -0.000 11.107) 11.114 10.395 ( 2.279 0.000 -0.213) 2.289 10.646 ( 0.293 0.000 -0.162) 0.335 10.701 ( -6.968 -0.000 2.308) 7.341 10.850 ( 6.942 0.000 -1.438) 7.089 10.872 ( 4.115 0.000 -3.593) 5.463 10.992 ( -2.400 -0.000 1.546) 2.854 11.338 ( -7.373 -0.000 -14.023) 15.843 11.796 ( -2.646 -0.000 13.284) 13.545 11.922 ( 4.348 0.000 6.620) 7.920 12.054 ( 1.005 0.000 4.435) 4.548 12.282 ( 1.246 0.000 8.662) 8.751 12.564 ( -2.382 -0.000 -9.772) 10.058 12.888 ( 1.844 0.000 -11.431) 11.578 12.974 ( -1.849 -0.000 0.723) 1.986 13.202 ( 5.749 0.000 -10.935) 12.355 13.214 ( -1.516 -0.000 10.932) 11.037 13.576 ( -7.639 -0.000 3.098) 8.243 13.614 ( 7.330 0.000 -0.751) 7.368 13.774 ( 3.019 0.000 -7.332) 7.929 14.192 ( 11.372 0.000 0.774) 11.398 14.338 ( -4.812 -0.000 2.342) 5.352 14.465 ( -4.567 -0.000 0.126) 4.569 14.484 ( -11.434 -0.000 2.143) 11.633 17.853 ( 20.370 0.000 5.657) 21.141 18.084 ( -9.352 -0.000 8.403) 12.573 18.110 ( -1.583 -0.000 7.310) 7.479 18.398 ( 4.490 0.000 -5.364) 6.995 20.965 ( -2.281 -0.000 3.246) 3.967 21.313 ( 3.788 0.000 -5.757) 6.891 21.665 ( -3.538 -0.000 -1.483) 3.836 21.706 ( -4.686 -0.000 -2.225) 5.188 21.874 ( -2.815 -0.000 -4.310) 5.148 22.167 ( -7.931 -0.000 -16.833) 18.608 22.931 ( 1.425 0.000 4.303) 4.533 23.048 ( 1.312 0.000 0.587) 1.438 23.296 ( -1.366 -0.000 14.063) 14.130 23.351 ( 5.457 0.000 9.084) 10.597 23.819 ( -2.940 -0.000 -6.039) 6.716 23.832 ( 0.519 0.000 -6.417) 6.438 24.150 ( 1.926 0.000 4.005) 4.444 24.164 ( -0.025 -0.000 5.825) 5.825 24.396 ( 1.356 0.000 10.204) 10.294 25.098 ( 6.037 0.000 -12.823) 14.173 ======================= Grid point 207 (102/140) ======================= q-point: (-0.44 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.086 ( 3.788 -19.573 -1.078) 19.966 1.404 ( -2.850 -19.078 -11.336) 22.374 1.661 ( 14.791 -6.391 3.157) 16.419 1.966 ( -8.969 -5.811 0.019) 10.687 2.012 ( -17.514 0.103 -5.651) 18.404 2.164 ( -2.378 -6.754 -1.731) 7.367 2.297 ( 5.425 0.168 3.426) 6.418 2.411 ( 0.302 -3.673 -1.815) 4.108 2.595 ( -2.467 1.042 1.142) 2.911 2.643 ( 1.491 -2.269 2.311) 3.565 2.760 ( 4.891 -1.150 -5.222) 7.247 2.948 ( -3.267 0.988 -5.890) 6.807 3.140 ( 3.100 -2.786 8.207) 9.205 3.357 ( -3.649 -2.456 -4.455) 6.260 3.382 ( 2.835 0.492 3.311) 4.387 3.467 ( -1.070 0.012 -2.561) 2.775 3.588 ( 1.694 -2.059 1.277) 2.957 3.729 ( -8.467 -2.921 -3.662) 9.676 3.791 ( -0.811 0.567 -0.622) 1.169 3.946 ( 1.801 0.030 -1.486) 2.336 4.101 ( 4.467 -1.657 4.654) 6.660 4.148 ( 3.243 -3.684 4.363) 6.567 4.448 ( -5.363 0.699 -0.017) 5.409 4.516 ( -0.193 1.441 -4.135) 4.383 4.709 ( 3.918 -0.892 -0.085) 4.019 4.873 ( -2.519 2.028 -3.457) 4.733 5.089 ( 0.656 3.079 5.911) 6.697 5.342 ( 2.904 6.605 3.808) 8.159 5.364 ( -3.717 0.761 1.495) 4.078 5.479 ( -2.979 2.023 0.228) 3.608 5.542 ( 0.606 -2.620 -4.808) 5.510 5.784 ( 4.350 1.906 9.843) 10.929 5.793 ( 3.302 -1.893 -6.509) 7.540 5.928 ( 0.891 6.795 1.045) 6.932 6.189 ( 2.499 0.358 1.520) 2.947 6.235 ( -9.749 3.227 5.002) 11.423 6.273 ( -0.624 -6.583 0.617) 6.641 6.519 ( 3.660 0.030 -4.350) 5.686 6.613 ( 3.795 1.079 6.078) 7.246 7.062 ( 0.464 3.945 -12.318) 12.942 7.724 ( -3.396 4.006 4.191) 6.719 7.883 ( 1.455 3.503 -2.519) 4.554 7.951 ( 2.585 -1.363 2.965) 4.163 8.041 ( -1.325 -5.770 -0.699) 5.961 8.116 ( -5.100 -2.824 -0.871) 5.894 8.158 ( 6.488 -0.094 -2.116) 6.825 8.317 ( 3.358 -0.408 5.178) 6.185 8.469 ( -6.607 3.997 2.758) 8.199 8.660 ( 1.683 -6.344 13.579) 15.082 8.922 ( -3.125 -4.459 -3.548) 6.499 9.117 ( -1.893 -3.953 -10.162) 11.066 9.449 ( 1.601 -9.549 -23.216) 25.154 10.115 ( -1.157 4.934 10.506) 11.664 10.355 ( -1.215 4.705 -1.968) 5.243 10.652 ( -0.646 -0.538 2.895) 3.015 10.704 ( -2.640 -3.573 -0.290) 4.452 10.881 ( 3.049 -1.775 -1.833) 3.975 10.959 ( 4.683 -5.954 -0.130) 7.576 11.004 ( 0.858 -1.660 0.593) 1.961 11.232 ( -7.028 -1.560 -12.060) 14.045 11.839 ( -2.644 -0.067 11.892) 12.182 11.970 ( 5.122 2.136 4.704) 7.275 12.070 ( 1.023 2.090 4.863) 5.391 12.257 ( -2.924 7.332 9.902) 12.664 12.480 ( -3.593 1.354 -10.643) 11.314 12.728 ( 4.348 9.672 -9.303) 14.107 13.003 ( -5.165 -2.669 -2.346) 6.270 13.132 ( -0.365 8.416 -0.623) 8.447 13.207 ( 0.338 3.015 2.417) 3.879 13.540 ( -0.163 3.635 -4.845) 6.059 13.671 ( 4.026 -4.743 3.432) 7.105 13.799 ( 3.705 -2.686 -4.527) 6.437 14.248 ( 0.735 2.402 2.174) 3.322 14.299 ( 0.756 -0.169 0.373) 0.860 14.484 ( -1.990 -9.083 4.738) 10.436 14.615 ( -2.196 -13.839 -1.596) 14.102 17.891 ( 2.909 13.290 7.280) 15.430 17.997 ( 2.014 6.838 3.260) 7.838 18.136 ( -1.788 -0.798 7.095) 7.361 18.410 ( 3.697 -0.760 -5.497) 6.668 20.962 ( -2.619 0.429 4.440) 5.173 21.304 ( 4.149 0.804 -8.029) 9.073 21.615 ( -2.805 1.048 -0.039) 2.995 21.680 ( -4.792 -1.928 -3.093) 6.021 21.853 ( -0.707 -1.590 -1.432) 2.254 22.078 ( -5.091 -2.120 -12.309) 13.488 22.965 ( 1.154 -0.827 3.925) 4.174 23.068 ( 0.744 -2.311 -0.492) 2.477 23.389 ( -0.541 -3.980 12.627) 13.250 23.470 ( 4.579 -3.563 8.999) 10.707 23.776 ( -2.625 -1.115 -6.384) 6.992 23.814 ( 0.420 -1.187 -6.675) 6.793 24.157 ( 0.033 2.257 4.728) 5.239 24.186 ( 0.626 0.365 3.042) 3.127 24.438 ( 0.721 1.988 10.481) 10.692 25.003 ( 3.816 8.490 -13.594) 16.475 ======================= Grid point 208 (103/140) ======================= q-point: (-0.33 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( -0.305 -21.933 0.882) 21.953 1.651 ( -4.226 -18.499 -12.692) 22.829 1.861 ( -6.411 -6.309 5.005) 10.293 1.948 ( -4.928 -8.697 -0.127) 9.998 2.058 ( -2.231 -6.980 5.732) 9.303 2.223 ( 0.805 -1.291 1.853) 2.397 2.369 ( -2.519 -7.831 1.406) 8.346 2.479 ( 1.311 -5.266 -7.155) 8.980 2.575 ( -0.227 -2.720 -2.077) 3.430 2.756 ( 5.664 0.013 -5.773) 8.088 2.776 ( 4.487 -2.755 4.361) 6.836 2.915 ( 1.402 -2.864 -4.920) 5.863 3.235 ( 0.223 -1.151 3.708) 3.889 3.319 ( 3.868 5.346 -0.500) 6.617 3.431 ( -3.075 -4.673 1.620) 5.824 3.523 ( 2.544 -6.985 0.421) 7.446 3.622 ( -2.860 -0.244 3.079) 4.209 3.687 ( -7.932 -3.375 1.566) 8.761 3.802 ( -0.174 1.196 -3.276) 3.491 3.944 ( -0.324 -3.537 -2.922) 4.599 4.168 ( -2.973 -2.599 4.156) 5.732 4.218 ( 3.996 1.647 -2.579) 5.033 4.417 ( 1.599 -0.122 -1.374) 2.112 4.492 ( 2.047 -0.010 -0.769) 2.187 4.779 ( 4.769 -2.875 0.306) 5.577 4.793 ( -1.852 1.878 -3.865) 4.679 5.070 ( 1.414 3.212 5.355) 6.403 5.284 ( -1.725 3.981 -3.976) 5.885 5.307 ( 2.185 2.840 6.248) 7.203 5.448 ( -4.711 0.492 5.259) 7.077 5.522 ( -4.669 0.145 -4.100) 6.215 5.784 ( -0.153 4.248 5.560) 6.998 5.819 ( 1.573 4.473 -4.509) 6.543 5.845 ( 4.713 0.140 -1.587) 4.975 6.091 ( -8.731 4.510 2.194) 10.069 6.232 ( 3.587 1.016 4.737) 6.028 6.402 ( 1.048 -5.889 0.352) 5.992 6.543 ( 3.729 -1.117 -2.269) 4.505 6.640 ( 5.347 2.226 7.131) 9.187 6.884 ( -6.351 5.690 -12.935) 15.493 7.666 ( -0.303 3.853 4.585) 5.996 7.802 ( 2.276 5.671 -3.670) 7.128 7.981 ( -3.470 2.008 3.472) 5.303 8.055 ( -3.001 2.399 -1.546) 4.141 8.161 ( 1.402 -5.360 -0.030) 5.540 8.193 ( 3.911 -1.501 0.155) 4.192 8.363 ( -5.949 3.423 1.661) 7.061 8.370 ( 4.264 0.615 4.878) 6.508 8.837 ( -6.133 -6.079 8.458) 12.087 9.034 ( 5.899 -8.163 1.992) 10.266 9.198 ( 0.954 -10.748 -4.767) 11.796 9.572 ( 7.226 -14.027 -23.106) 27.980 10.043 ( -1.430 7.521 8.260) 11.262 10.210 ( -2.620 8.018 -4.282) 9.459 10.676 ( -1.486 -1.267 2.978) 3.561 10.764 ( 1.233 -4.555 -1.605) 4.985 10.969 ( 3.861 -5.244 1.168) 6.616 11.017 ( -3.384 -2.217 1.829) 4.440 11.153 ( 3.635 -9.960 -4.713) 11.603 11.181 ( -1.214 -4.006 -5.204) 6.678 11.838 ( -3.502 4.225 5.518) 7.782 11.959 ( 2.409 5.250 3.998) 7.025 12.037 ( 0.655 5.170 6.362) 8.224 12.136 ( -5.943 6.193 8.081) 11.788 12.391 ( -3.345 -0.662 -9.131) 9.747 12.573 ( 4.473 7.611 -7.555) 11.619 12.958 ( -4.326 4.319 1.229) 6.235 12.995 ( 1.037 5.615 -0.791) 5.765 13.149 ( -0.321 4.544 3.551) 5.776 13.443 ( 0.840 3.767 -8.518) 9.351 13.794 ( -1.831 -6.083 0.155) 6.354 13.857 ( 0.924 -2.601 0.589) 2.822 14.255 ( 2.843 -1.481 1.724) 3.640 14.312 ( 3.745 1.021 0.286) 3.892 14.661 ( -7.773 -12.144 3.967) 14.954 14.882 ( 10.222 -14.387 -1.164) 17.687 17.610 ( -10.380 17.435 4.600) 20.806 17.864 ( 5.424 14.348 0.715) 15.356 18.178 ( 0.966 -0.507 5.978) 6.076 18.424 ( 3.022 -1.011 -5.914) 6.718 20.954 ( -3.092 0.708 6.100) 6.875 21.271 ( 4.156 1.662 -9.532) 10.530 21.619 ( -0.475 -1.828 3.083) 3.616 21.664 ( -3.636 -1.794 -2.405) 4.714 21.895 ( -0.476 -3.091 0.309) 3.143 22.030 ( -1.241 -1.350 -7.231) 7.460 23.016 ( -0.255 -2.328 4.329) 4.921 23.136 ( 1.626 -5.164 -2.022) 5.779 23.523 ( 0.134 -5.281 9.222) 10.628 23.602 ( 2.613 -4.019 7.015) 8.497 23.760 ( -0.908 -2.063 -5.476) 5.921 23.813 ( -0.114 -2.131 -5.982) 6.352 24.125 ( -1.738 3.028 3.990) 5.302 24.190 ( 1.598 1.337 1.366) 2.491 24.440 ( 0.753 3.590 7.889) 8.700 24.757 ( -1.000 13.770 -12.324) 18.506 ======================= Grid point 209 (104/140) ======================= q-point: (-0.22 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -7.378 -10.666 4.114) 13.606 1.841 ( -10.237 -9.065 3.855) 14.207 1.870 ( -7.648 -6.863 -1.033) 10.327 2.114 ( -2.889 -14.495 -1.848) 14.895 2.223 ( 6.686 -6.549 5.326) 10.768 2.328 ( 4.051 -4.965 0.064) 6.408 2.454 ( -1.856 -4.809 -2.354) 5.667 2.521 ( -1.773 -3.673 -7.485) 8.524 2.636 ( 2.998 -3.806 0.130) 4.847 2.801 ( 6.172 -3.365 -2.226) 7.374 2.893 ( 2.051 -5.014 -0.713) 5.464 2.976 ( 6.186 -1.974 -1.050) 6.578 3.210 ( -3.070 3.410 -2.630) 5.288 3.264 ( 4.362 3.324 2.029) 5.848 3.494 ( -0.007 -3.040 1.645) 3.457 3.562 ( -4.936 2.758 3.160) 6.477 3.647 ( 0.934 0.066 -2.905) 3.052 3.753 ( -4.769 -6.424 2.057) 8.261 3.797 ( 5.827 -5.966 1.049) 8.405 4.018 ( -2.118 -4.537 3.515) 6.118 4.144 ( -0.610 1.110 -10.830) 10.904 4.194 ( -5.641 0.777 6.057) 8.313 4.424 ( 3.125 2.135 0.020) 3.784 4.522 ( 3.170 -1.495 -1.383) 3.768 4.744 ( -3.130 -0.533 -3.792) 4.946 4.905 ( 7.646 -5.107 0.686) 9.220 5.065 ( 2.541 0.985 3.608) 4.522 5.186 ( -1.958 4.525 -1.131) 5.058 5.331 ( -0.652 -0.342 5.740) 5.787 5.422 ( -5.711 0.012 -7.587) 9.497 5.450 ( -5.214 1.722 8.468) 10.093 5.676 ( -3.980 5.109 -2.101) 6.808 5.758 ( 1.682 4.359 4.469) 6.466 5.859 ( 5.795 3.905 -0.742) 7.027 5.989 ( -5.234 0.835 -3.870) 6.563 6.250 ( 3.877 1.991 2.886) 5.227 6.424 ( -3.521 1.848 -1.499) 4.250 6.559 ( 0.766 1.837 -1.270) 2.361 6.688 ( 1.714 0.914 1.615) 2.526 6.768 ( 4.313 -1.871 -2.601) 5.373 7.635 ( 1.916 2.347 1.454) 3.361 7.712 ( 2.596 4.821 -2.925) 6.208 7.873 ( -5.280 6.684 2.225) 8.804 7.975 ( -3.737 2.764 0.796) 4.716 8.193 ( 0.133 3.343 -2.710) 4.306 8.265 ( 2.060 -1.961 0.415) 2.874 8.333 ( -0.258 -3.900 3.751) 5.417 8.409 ( 2.463 -0.166 1.848) 3.084 8.883 ( -8.578 -3.468 5.469) 10.748 9.224 ( 5.874 -8.139 3.173) 10.527 9.388 ( -1.529 -12.004 -3.338) 12.553 9.722 ( 2.145 -2.027 -7.784) 8.325 9.916 ( -3.519 8.505 5.514) 10.730 10.111 ( 11.514 -0.690 -10.077) 15.316 10.697 ( -1.493 -1.613 0.610) 2.281 10.843 ( 2.221 -3.765 -2.003) 4.809 11.014 ( 0.234 1.467 1.266) 1.952 11.083 ( 1.308 -3.799 -1.575) 4.315 11.199 ( -3.728 -7.905 -4.742) 9.944 11.402 ( 4.057 -9.832 2.682) 10.969 11.715 ( -3.572 4.542 0.253) 5.784 11.843 ( 0.188 10.259 1.120) 10.322 12.026 ( -1.940 0.793 8.861) 9.105 12.058 ( -2.478 2.898 3.593) 5.239 12.385 ( -1.310 -4.749 -5.367) 7.285 12.485 ( 3.307 3.370 -2.447) 5.318 12.843 ( -1.577 7.285 4.248) 8.579 12.934 ( 2.369 2.479 -3.419) 4.843 13.104 ( -2.145 2.336 5.215) 6.103 13.361 ( 0.699 1.362 -8.802) 8.934 13.822 ( -5.350 -0.194 1.553) 5.575 13.899 ( -3.819 -3.636 -0.244) 5.279 14.326 ( 5.889 1.562 0.873) 6.155 14.339 ( 6.485 -2.330 -0.682) 6.924 14.793 ( -9.274 -9.528 2.152) 13.470 15.203 ( 14.803 -12.002 0.474) 19.063 17.239 ( -13.509 17.447 4.097) 22.443 17.647 ( 2.925 13.127 -3.504) 13.898 18.210 ( 0.473 0.616 4.770) 4.833 18.432 ( 2.891 -0.742 -6.277) 6.951 20.953 ( -3.577 0.108 6.955) 7.822 21.236 ( 4.016 0.924 -8.094) 9.083 21.630 ( -4.213 -1.141 -1.259) 4.543 21.700 ( 3.123 -1.164 3.370) 4.740 21.924 ( -3.519 -3.680 -0.637) 5.132 22.064 ( 6.023 -1.742 -0.099) 6.271 23.067 ( -2.397 -2.188 4.055) 5.194 23.230 ( 1.817 -5.703 -4.836) 7.695 23.630 ( -1.202 -3.964 3.878) 5.674 23.693 ( 0.770 -2.248 3.324) 4.086 23.772 ( 0.606 -0.752 -1.929) 2.157 23.832 ( 0.893 -2.927 -4.580) 5.508 24.074 ( -2.574 2.963 3.063) 4.979 24.184 ( 2.561 1.451 -0.012) 2.944 24.408 ( -0.215 4.030 3.103) 5.091 24.467 ( -3.627 11.182 -5.588) 13.016 ======================= Grid point 210 (105/140) ======================= q-point: (-0.11 -0.56 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.765 ( -10.015 1.372 14.752) 17.883 1.873 ( -6.681 -7.373 -1.941) 10.137 2.010 ( -0.450 -6.341 2.462) 6.817 2.309 ( -1.781 -7.099 -0.580) 7.342 2.345 ( 2.636 -1.212 1.923) 3.480 2.382 ( 2.547 -2.285 -9.835) 10.413 2.495 ( 4.184 -2.947 -2.314) 5.616 2.570 ( -2.351 -7.299 -4.576) 8.930 2.724 ( -3.848 -5.037 2.965) 6.998 2.836 ( 3.307 3.762 -5.151) 7.185 2.956 ( 3.909 -1.171 2.061) 4.572 3.079 ( 6.243 -3.200 0.034) 7.015 3.108 ( -0.622 2.759 -1.846) 3.377 3.283 ( 1.028 -0.044 2.930) 3.106 3.442 ( -2.932 5.803 -1.341) 6.638 3.532 ( -6.892 -1.763 0.064) 7.114 3.720 ( 13.682 -3.603 2.663) 14.397 3.797 ( -0.865 -0.162 1.498) 1.738 3.938 ( 1.265 -3.460 1.214) 3.878 4.035 ( 3.401 3.751 -6.989) 8.631 4.109 ( -3.228 1.800 2.827) 4.654 4.183 ( -5.375 -6.781 7.966) 11.761 4.396 ( 2.307 2.999 -0.217) 3.790 4.563 ( 0.136 -1.616 -2.414) 2.908 4.724 ( -3.194 -2.516 -5.246) 6.637 4.992 ( 4.166 2.322 -2.671) 5.466 5.102 ( -6.119 -2.070 -2.487) 6.922 5.112 ( 4.781 1.926 5.307) 7.399 5.291 ( -8.217 1.085 1.981) 8.522 5.350 ( -4.355 1.735 -1.867) 5.046 5.474 ( 3.436 -1.306 5.511) 6.624 5.600 ( -0.674 1.153 1.101) 1.731 5.743 ( -0.632 0.235 4.474) 4.525 5.796 ( 0.901 5.645 -0.032) 5.717 5.936 ( 0.014 0.615 -5.947) 5.979 6.259 ( 3.374 1.236 -0.684) 3.657 6.326 ( -4.971 3.965 0.252) 6.364 6.506 ( -0.011 1.495 -2.671) 3.061 6.717 ( 2.358 -2.830 -3.719) 5.234 6.844 ( 7.267 1.507 5.694) 9.354 7.625 ( 0.673 0.065 -2.475) 2.566 7.678 ( 2.554 0.527 0.111) 2.610 7.743 ( -4.411 4.433 1.159) 6.360 7.924 ( -2.176 1.087 1.454) 2.833 8.098 ( -1.603 4.187 -3.712) 5.821 8.305 ( 1.060 -1.399 1.758) 2.484 8.417 ( -1.565 -1.606 2.311) 3.220 8.444 ( 1.842 -2.636 0.729) 3.297 8.895 ( -6.476 -2.663 4.613) 8.384 9.433 ( 4.475 -7.990 4.838) 10.357 9.491 ( -3.198 -2.405 -10.427) 11.168 9.603 ( -5.710 2.108 4.450) 7.540 9.808 ( -1.210 6.147 4.098) 7.487 10.257 ( 18.696 -3.253 -8.556) 20.817 10.711 ( -1.743 -1.953 -2.968) 3.958 10.887 ( 0.168 -1.795 -4.178) 4.550 10.981 ( 1.815 3.418 1.098) 4.023 11.125 ( 3.679 -0.767 -1.642) 4.101 11.279 ( -4.229 -4.542 0.274) 6.212 11.470 ( -6.215 -0.232 2.556) 6.724 11.659 ( -1.210 5.636 0.030) 5.765 11.795 ( 5.175 -6.502 -2.082) 8.567 11.967 ( -1.137 4.645 -1.091) 4.905 12.081 ( -2.175 -1.577 8.036) 8.473 12.432 ( 0.498 -0.364 -0.202) 0.649 12.507 ( 1.277 -4.008 3.653) 5.571 12.751 ( -0.807 3.503 1.182) 3.784 12.912 ( 3.916 1.118 -4.140) 5.807 13.091 ( -3.108 -1.001 4.449) 5.518 13.335 ( 0.526 -1.885 -5.829) 6.149 13.765 ( -5.947 2.129 2.944) 6.968 13.910 ( -3.527 -1.607 -1.805) 4.276 14.334 ( 5.311 2.733 -0.678) 6.011 14.407 ( 5.059 -0.202 -0.301) 5.072 14.855 ( -8.745 -5.148 0.996) 10.196 15.484 ( 13.125 -7.261 1.343) 15.060 16.903 ( -12.824 11.781 4.503) 17.987 17.476 ( 4.338 6.942 -6.373) 10.374 18.207 ( -1.340 1.938 4.233) 4.845 18.434 ( 3.470 -0.099 -6.235) 7.136 20.960 ( -4.212 -0.752 5.901) 7.288 21.230 ( 3.952 -0.565 -5.983) 7.193 21.608 ( -3.169 -0.231 -0.385) 3.201 21.732 ( 2.259 0.938 1.934) 3.118 22.001 ( -0.613 -6.651 1.591) 6.866 22.141 ( 7.182 -0.492 2.579) 7.647 23.073 ( -5.520 0.070 1.794) 5.805 23.269 ( -0.384 -1.039 -7.994) 8.070 23.682 ( -1.683 -2.515 0.728) 3.112 23.720 ( -0.225 2.111 3.000) 3.675 23.775 ( 0.335 -1.131 -0.787) 1.418 23.867 ( 2.253 -2.827 -3.702) 5.175 24.022 ( -2.684 2.529 2.080) 4.234 24.171 ( 1.606 2.487 -1.520) 3.328 24.295 ( -2.038 2.195 -0.465) 3.031 24.386 ( 1.804 2.222 3.101) 4.221 ======================= Grid point 216 (106/140) ======================= q-point: (-0.44 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.984 ( 9.217 0.000 2.708) 9.607 1.123 ( -7.108 -0.000 -10.574) 12.741 1.756 ( -21.923 -0.000 -9.226) 23.785 1.758 ( 16.430 0.000 8.874) 18.673 1.927 ( -6.815 -0.000 0.658) 6.847 2.040 ( -2.264 -0.000 -5.589) 6.030 2.334 ( 0.662 0.000 1.973) 2.081 2.369 ( -1.194 -0.000 -1.249) 1.728 2.613 ( -6.932 -0.000 -1.847) 7.174 2.671 ( 0.532 0.000 7.850) 7.868 2.736 ( 7.462 0.000 -1.829) 7.683 2.905 ( -2.090 -0.000 -6.704) 7.022 3.162 ( 2.991 0.000 6.603) 7.249 3.269 ( -4.278 -0.000 -3.629) 5.610 3.419 ( -1.197 -0.000 -1.017) 1.571 3.517 ( 4.570 0.000 5.793) 7.378 3.539 ( -4.153 -0.000 -5.792) 7.127 3.585 ( -1.243 -0.000 -6.830) 6.942 3.834 ( 0.122 0.000 2.371) 2.374 3.951 ( 1.727 0.000 -2.611) 3.130 4.077 ( -7.192 -0.000 7.792) 10.604 4.250 ( 15.750 0.000 7.433) 17.416 4.421 ( -3.742 -0.000 0.124) 3.744 4.514 ( 1.818 0.000 -5.048) 5.366 4.744 ( 5.221 0.000 2.377) 5.737 4.844 ( -3.953 -0.000 -5.839) 7.052 5.147 ( -0.464 -0.000 5.335) 5.355 5.339 ( -5.025 -0.000 0.250) 5.031 5.428 ( -2.264 -0.000 0.395) 2.298 5.463 ( -0.746 -0.000 -0.264) 0.791 5.529 ( 3.304 0.000 -0.642) 3.365 5.758 ( 2.675 0.000 -7.578) 8.037 5.878 ( 2.002 0.000 10.125) 10.321 5.983 ( -3.969 -0.000 -2.700) 4.801 6.152 ( -4.090 -0.000 0.096) 4.091 6.207 ( -9.781 -0.000 5.388) 11.166 6.279 ( 9.990 0.000 1.418) 10.090 6.529 ( 6.325 0.000 -5.274) 8.235 6.682 ( -0.125 -0.000 9.466) 9.467 7.043 ( -0.967 -0.000 -15.291) 15.321 7.751 ( -2.637 -0.000 5.088) 5.731 7.908 ( 0.206 0.000 -2.883) 2.891 7.943 ( -0.380 -0.000 0.830) 0.913 7.997 ( -3.216 -0.000 2.894) 4.327 8.042 ( -0.655 -0.000 -3.569) 3.629 8.177 ( 6.197 0.000 -3.232) 6.989 8.374 ( 4.103 0.000 7.674) 8.702 8.471 ( -5.571 -0.000 -2.026) 5.928 8.671 ( -0.724 -0.000 14.081) 14.100 8.866 ( 1.507 0.000 1.066) 1.846 9.036 ( 1.917 0.000 -8.573) 8.784 9.289 ( 4.868 0.000 -21.247) 21.798 10.194 ( -3.341 -0.000 11.141) 11.631 10.363 ( -4.389 -0.000 -2.074) 4.854 10.644 ( -3.226 -0.000 1.093) 3.406 10.668 ( 1.372 0.000 2.276) 2.658 10.857 ( -1.909 -0.000 -2.291) 2.982 10.944 ( 6.878 0.000 -3.500) 7.717 11.014 ( 3.664 0.000 0.600) 3.712 11.120 ( -5.358 -0.000 -8.111) 9.721 11.877 ( -2.088 -0.000 11.064) 11.260 12.046 ( 5.388 0.000 2.421) 5.907 12.119 ( -0.262 -0.000 7.140) 7.145 12.363 ( -5.284 -0.000 11.998) 13.110 12.410 ( -2.708 -0.000 -11.718) 12.027 12.771 ( -2.298 -0.000 -12.476) 12.686 12.925 ( -4.705 -0.000 2.154) 5.175 13.177 ( 4.323 0.000 -9.891) 10.795 13.302 ( -0.228 -0.000 10.209) 10.211 13.506 ( -3.872 -0.000 1.198) 4.053 13.725 ( 1.401 0.000 -9.861) 9.961 13.778 ( 12.474 0.000 -0.515) 12.485 14.224 ( -9.444 -0.000 -0.667) 9.467 14.347 ( -8.714 -0.000 3.142) 9.263 14.397 ( 13.755 0.000 1.079) 13.797 14.498 ( 5.071 0.000 2.136) 5.502 17.930 ( -16.396 -0.000 2.069) 16.526 18.133 ( -4.448 -0.000 7.008) 8.301 18.221 ( 19.361 0.000 5.488) 20.124 18.409 ( 4.601 0.000 -4.976) 6.777 20.972 ( -2.149 -0.000 5.843) 6.226 21.297 ( 3.627 0.000 -9.606) 10.268 21.607 ( -4.495 -0.000 -1.753) 4.825 21.612 ( -1.801 -0.000 0.253) 1.819 21.814 ( -2.973 -0.000 0.502) 3.015 21.995 ( -0.181 -0.000 -8.228) 8.230 22.981 ( 0.987 0.000 2.562) 2.746 23.034 ( -1.198 -0.000 -2.113) 2.429 23.414 ( -1.022 -0.000 13.762) 13.799 23.523 ( 5.099 0.000 8.975) 10.322 23.707 ( -3.501 -0.000 -7.110) 7.925 23.771 ( 0.630 0.000 -8.488) 8.512 24.188 ( -2.086 -0.000 3.186) 3.808 24.215 ( 2.153 0.000 2.866) 3.585 24.515 ( -0.590 -0.000 12.978) 12.991 25.042 ( 4.616 0.000 -16.225) 16.869 ======================= Grid point 217 (107/140) ======================= q-point: (-0.33 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.134 ( -4.560 -15.749 -1.167) 16.437 1.255 ( 2.024 -17.578 -5.746) 18.604 1.585 ( -23.006 -7.561 -9.283) 25.935 1.892 ( 1.020 -0.807 7.386) 7.500 2.002 ( 6.928 -7.294 10.234) 14.350 2.121 ( 0.873 -10.117 -2.733) 10.516 2.296 ( -8.606 2.159 1.496) 8.998 2.369 ( -1.051 -2.757 -4.492) 5.374 2.535 ( -2.840 -1.501 1.210) 3.433 2.739 ( 1.517 -2.547 4.010) 4.987 2.821 ( 4.340 -3.987 -6.141) 8.511 2.868 ( 4.041 1.995 -2.906) 5.363 3.233 ( -4.979 -4.923 -0.743) 7.041 3.253 ( 1.729 -0.862 3.064) 3.623 3.420 ( 0.385 -2.592 -0.101) 2.622 3.458 ( -8.633 -1.361 -2.989) 9.236 3.535 ( 5.092 1.304 1.469) 5.458 3.690 ( 3.150 -5.059 1.102) 6.060 3.810 ( 0.818 3.260 4.771) 5.836 3.935 ( 2.153 1.577 -3.675) 4.542 4.088 ( -5.651 -3.499 0.814) 6.696 4.329 ( 3.935 5.738 2.562) 7.415 4.428 ( 5.436 -0.232 2.266) 5.894 4.508 ( 4.463 -0.776 -4.011) 6.051 4.767 ( -3.168 1.045 -5.730) 6.631 4.813 ( 5.832 -0.639 3.693) 6.933 5.135 ( -2.670 2.498 5.163) 6.327 5.301 ( -2.602 0.429 -1.532) 3.049 5.384 ( -2.275 2.473 0.638) 3.421 5.449 ( -0.465 1.065 0.221) 1.183 5.517 ( -1.062 3.182 2.362) 4.102 5.781 ( 3.801 -3.957 -9.134) 10.656 5.862 ( -4.325 4.917 1.591) 6.739 5.905 ( -2.646 3.038 1.672) 4.362 6.086 ( -8.575 2.101 -0.848) 8.869 6.222 ( -3.165 -3.241 7.395) 8.672 6.402 ( 10.604 -3.455 2.526) 11.435 6.554 ( 7.652 1.063 -4.761) 9.074 6.719 ( -0.883 -0.721 9.119) 9.190 6.874 ( -7.011 6.350 -16.362) 18.900 7.745 ( 0.106 2.980 6.089) 6.780 7.886 ( 2.849 3.150 -2.798) 5.086 7.943 ( -6.712 -1.153 0.600) 6.836 8.025 ( -2.265 -5.770 -0.101) 6.200 8.064 ( 3.155 -2.750 -1.341) 4.395 8.210 ( 2.206 -0.663 -2.295) 3.252 8.377 ( -5.329 3.126 -2.139) 6.538 8.444 ( 3.878 0.362 7.774) 8.695 8.755 ( -4.299 -3.526 8.180) 9.891 8.973 ( 7.228 -6.020 3.915) 10.189 9.071 ( 6.752 -4.098 -2.496) 8.283 9.331 ( 11.152 -10.716 -19.416) 24.823 10.171 ( -4.579 4.774 9.735) 11.770 10.270 ( -5.766 4.771 -3.094) 8.098 10.643 ( -2.627 -1.755 0.216) 3.166 10.718 ( 2.285 -2.590 3.346) 4.809 10.858 ( -3.193 -3.934 -1.613) 5.317 10.989 ( 0.746 -3.254 -5.894) 6.774 11.062 ( 4.906 -1.513 -0.851) 5.204 11.107 ( 2.081 -3.998 -0.410) 4.526 11.898 ( -1.869 1.808 7.079) 7.541 12.064 ( 2.393 3.297 2.331) 4.694 12.125 ( -1.463 2.347 6.239) 6.824 12.277 ( -9.227 6.911 8.956) 14.598 12.322 ( -1.206 3.156 -8.448) 9.099 12.660 ( -0.259 4.454 -10.739) 11.629 12.913 ( -5.811 -1.321 2.666) 6.528 13.126 ( 3.296 4.918 -4.816) 7.632 13.267 ( 0.082 6.717 7.803) 10.296 13.496 ( 1.009 2.889 -4.451) 5.401 13.684 ( -0.115 -2.881 -5.492) 6.203 13.849 ( 3.642 0.342 -1.464) 3.940 14.213 ( -1.048 -5.236 -0.748) 5.392 14.346 ( -4.680 -2.220 2.114) 5.595 14.473 ( 5.255 -3.266 2.232) 6.578 14.728 ( 12.153 -14.159 1.226) 18.700 17.730 ( -16.393 8.580 -0.773) 18.519 18.093 ( -6.035 5.561 7.471) 11.097 18.296 ( 13.599 6.392 0.813) 15.048 18.415 ( 5.395 1.802 -4.951) 7.541 20.981 ( -2.154 0.977 7.861) 8.209 21.272 ( 3.855 0.453 -11.214) 11.867 21.582 ( -3.258 -0.877 1.231) 3.591 21.628 ( 0.631 -1.764 3.676) 4.126 21.824 ( -3.711 -2.545 0.560) 4.534 21.991 ( 3.477 -2.323 -3.436) 5.413 23.000 ( -0.481 -0.897 2.181) 2.407 23.051 ( -0.220 -3.806 -2.240) 4.422 23.493 ( -1.367 -3.094 10.316) 10.856 23.613 ( 3.685 -1.659 6.669) 7.798 23.673 ( -2.262 -3.058 -5.443) 6.640 23.746 ( 0.157 -1.428 -8.552) 8.672 24.168 ( -2.481 1.750 2.383) 3.860 24.233 ( 2.081 1.023 1.683) 2.865 24.543 ( -1.066 2.947 11.512) 11.931 24.898 ( 1.117 10.357 -17.095) 20.018 ======================= Grid point 218 (108/140) ======================= q-point: (-0.22 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( -12.110 -19.438 -3.351) 23.146 1.542 ( -6.512 -17.035 1.689) 18.315 1.662 ( -6.844 -17.641 1.101) 18.954 1.921 ( -6.614 -2.414 6.760) 9.761 2.202 ( 1.616 -6.634 4.448) 8.149 2.260 ( -0.761 -4.516 3.402) 5.705 2.303 ( 0.771 -7.455 -0.014) 7.494 2.416 ( 2.132 -6.399 -7.467) 10.062 2.608 ( 4.068 -3.890 -0.065) 5.629 2.794 ( 3.443 -1.501 -1.935) 4.225 2.850 ( 2.017 0.389 0.017) 2.055 2.920 ( 3.419 -7.612 -3.981) 9.245 3.233 ( -1.862 2.803 -1.263) 3.594 3.305 ( -3.399 -4.921 -1.202) 6.100 3.424 ( -4.885 -2.941 2.095) 6.074 3.516 ( -2.778 -4.854 0.651) 5.630 3.603 ( 4.610 -4.576 2.307) 6.893 3.719 ( 4.388 4.547 6.645) 9.170 3.796 ( 1.555 1.462 -0.040) 2.135 3.967 ( 1.881 -4.031 3.203) 5.481 4.106 ( 1.711 -2.444 -8.416) 8.929 4.228 ( -3.602 5.490 1.343) 6.702 4.438 ( -0.926 0.887 0.658) 1.441 4.558 ( 7.174 1.022 -3.172) 7.910 4.721 ( -0.999 -0.010 -3.001) 3.163 4.900 ( 7.316 -2.123 1.759) 7.819 5.088 ( -4.072 2.174 4.253) 6.276 5.275 ( 1.300 2.265 0.354) 2.635 5.329 ( -3.375 0.256 -3.826) 5.108 5.388 ( -3.097 4.513 -0.107) 5.475 5.488 ( -2.258 1.563 9.976) 10.347 5.714 ( -3.788 4.614 -5.276) 7.967 5.831 ( -3.231 2.936 1.659) 4.671 5.871 ( 4.531 -3.890 -8.238) 10.175 5.981 ( -5.247 3.629 1.812) 6.632 6.283 ( -3.752 -1.886 7.566) 8.653 6.474 ( 5.677 5.137 -1.923) 7.894 6.573 ( -0.343 0.384 -1.312) 1.410 6.658 ( -2.756 1.634 -11.883) 12.308 6.813 ( 6.116 -3.320 7.396) 10.155 7.717 ( 2.737 4.155 2.095) 5.399 7.820 ( 3.103 5.444 -1.415) 6.424 7.907 ( -6.989 -0.021 0.826) 7.038 7.987 ( -3.093 4.627 -2.035) 5.926 8.194 ( 2.010 -6.878 -0.136) 7.167 8.225 ( 0.335 0.017 -2.913) 2.932 8.305 ( -2.276 0.241 1.475) 2.723 8.477 ( 2.346 2.507 6.598) 7.438 8.803 ( -4.705 -3.282 4.807) 7.484 9.106 ( 2.976 -6.897 -1.942) 7.758 9.234 ( 7.334 -7.359 -1.084) 10.446 9.626 ( 14.680 -13.227 -6.245) 20.723 10.046 ( -7.385 8.688 5.095) 12.489 10.154 ( 3.243 2.328 -4.090) 5.715 10.652 ( -2.840 -1.825 -1.344) 3.634 10.805 ( 2.334 -3.013 3.635) 5.267 10.909 ( -5.995 -6.367 -1.005) 8.803 11.024 ( 1.454 -4.371 -7.175) 8.527 11.123 ( 5.553 -1.463 0.004) 5.743 11.281 ( 5.738 -10.469 4.141) 12.636 11.799 ( -6.060 8.483 1.075) 10.481 11.998 ( -2.114 6.630 3.895) 7.975 12.091 ( 0.868 3.346 0.410) 3.481 12.123 ( -6.181 6.290 9.510) 12.969 12.284 ( -0.773 -3.100 -4.379) 5.420 12.545 ( 1.189 3.776 -6.334) 7.469 12.899 ( -5.598 -0.534 2.756) 6.262 13.020 ( 2.068 9.270 1.338) 9.591 13.205 ( 1.763 4.700 4.924) 7.032 13.394 ( 2.803 5.493 -7.935) 10.050 13.748 ( -1.117 -5.593 -2.868) 6.384 13.834 ( -3.865 0.071 0.546) 3.904 14.311 ( 2.110 -4.655 -3.326) 6.098 14.368 ( 1.062 -1.682 2.303) 3.043 14.608 ( 1.835 -7.518 1.732) 7.930 15.093 ( 14.959 -15.188 1.082) 21.345 17.408 ( -15.527 14.256 -1.519) 21.134 17.887 ( -6.498 15.417 4.008) 17.204 18.277 ( 6.191 4.177 -0.112) 7.469 18.404 ( 2.135 -0.866 -6.593) 6.984 20.978 ( -2.640 1.704 8.145) 8.730 21.240 ( 3.904 0.667 -9.481) 10.275 21.581 ( -2.812 -0.831 1.488) 3.288 21.716 ( 3.669 -2.578 5.646) 7.210 21.823 ( -5.103 -2.941 -1.350) 6.043 22.106 ( 10.767 -3.244 4.291) 12.036 23.029 ( -1.851 -2.016 2.440) 3.666 23.117 ( 0.307 -5.566 -4.553) 7.198 23.560 ( -3.423 -3.650 0.874) 5.080 23.684 ( 2.016 -2.465 2.433) 4.007 23.738 ( -0.737 -3.375 -7.444) 8.206 23.745 ( 1.782 -3.689 2.825) 4.977 24.120 ( -2.469 2.735 2.119) 4.251 24.230 ( 2.133 1.711 0.045) 2.735 24.497 ( -3.189 6.593 2.881) 7.870 24.608 ( -3.498 11.721 -7.843) 14.530 ======================= Grid point 219 (109/140) ======================= q-point: (-0.11 -0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -9.743 -17.093 1.967) 19.773 1.688 ( -16.208 -7.090 10.480) 20.562 1.898 ( 0.541 -10.162 8.767) 13.432 2.091 ( 2.242 -16.114 -1.746) 16.362 2.289 ( -3.283 -5.248 -4.257) 7.513 2.313 ( -0.794 -3.295 -5.874) 6.782 2.434 ( 3.856 -3.505 -0.219) 5.215 2.506 ( 5.174 -3.296 -0.787) 6.185 2.671 ( 1.549 -0.914 0.518) 1.871 2.854 ( 5.122 -2.963 -3.294) 6.773 2.928 ( 2.400 -6.167 1.626) 6.814 3.069 ( 2.194 -7.790 -0.231) 8.096 3.129 ( -1.561 5.913 -3.381) 6.988 3.302 ( -1.917 1.081 0.736) 2.321 3.457 ( -3.631 -1.548 2.454) 4.648 3.530 ( -1.472 1.826 -4.023) 4.657 3.683 ( -3.871 -6.436 6.330) 9.822 3.768 ( 8.361 -2.015 4.663) 9.783 3.885 ( 1.739 -4.427 2.549) 5.396 4.048 ( 3.772 0.152 -7.201) 8.130 4.067 ( 2.167 -1.516 -0.865) 2.782 4.191 ( -2.104 0.806 7.510) 7.841 4.414 ( -4.271 -1.679 -3.256) 5.627 4.557 ( 5.505 2.040 -3.390) 6.779 4.689 ( -0.558 1.809 -1.892) 2.676 4.984 ( -3.055 -3.127 -3.145) 5.385 5.053 ( 2.865 1.937 2.458) 4.243 5.211 ( -6.192 3.536 0.032) 7.130 5.278 ( 3.012 1.894 -0.577) 3.605 5.347 ( -3.105 0.964 4.531) 5.577 5.491 ( -0.849 0.055 3.476) 3.579 5.622 ( -0.678 1.985 0.869) 2.270 5.769 ( -2.705 1.160 -2.533) 3.883 5.854 ( -5.087 3.241 -0.986) 6.112 5.954 ( 7.671 1.333 -3.912) 8.713 6.282 ( -7.224 0.139 5.280) 8.949 6.362 ( 1.472 6.008 -5.030) 7.973 6.514 ( -2.597 0.969 -0.615) 2.840 6.677 ( 3.550 -2.255 -4.074) 5.855 6.940 ( 7.153 -0.974 4.784) 8.660 7.658 ( 2.234 4.056 -3.386) 5.737 7.761 ( 4.975 5.249 0.559) 7.253 7.812 ( -4.800 6.171 1.771) 8.016 7.904 ( -4.857 0.240 -0.243) 4.869 8.155 ( 0.906 4.670 -4.708) 6.693 8.291 ( 1.276 -2.683 0.275) 2.984 8.343 ( -4.242 -3.914 3.700) 6.856 8.479 ( 2.712 1.830 4.196) 5.320 8.844 ( -2.539 -2.510 4.460) 5.713 9.250 ( 0.239 -9.779 -5.442) 11.194 9.421 ( 9.175 -7.855 1.146) 12.133 9.667 ( -7.584 7.310 2.251) 10.771 9.903 ( -5.415 5.540 4.596) 9.008 10.278 ( 19.375 -7.188 -8.648) 22.402 10.646 ( -3.551 -1.690 -3.122) 5.021 10.861 ( -0.042 -0.639 1.468) 1.602 10.967 ( -3.172 -4.851 0.097) 5.797 11.094 ( 4.427 -5.057 -6.012) 9.018 11.182 ( 2.374 -2.052 -1.823) 3.629 11.465 ( -2.486 -1.075 8.711) 9.122 11.659 ( -2.019 -0.155 -3.266) 3.843 11.856 ( 0.928 7.799 1.603) 8.016 12.027 ( 0.266 4.140 -3.162) 5.216 12.091 ( -3.964 0.346 9.295) 10.111 12.367 ( 2.736 -6.433 0.580) 7.014 12.507 ( 1.429 0.055 -0.188) 1.442 12.862 ( -3.184 5.044 4.254) 7.326 12.884 ( -3.529 4.052 -0.408) 5.388 13.173 ( 6.294 4.698 0.449) 7.867 13.320 ( 1.982 1.473 -3.792) 4.525 13.768 ( -2.482 0.908 0.619) 2.715 13.837 ( -2.022 -3.476 -1.369) 4.249 14.352 ( -0.406 -2.257 -3.487) 4.174 14.422 ( 0.854 -1.280 1.084) 1.882 14.742 ( 2.638 -5.107 1.170) 5.866 15.435 ( 13.097 -11.232 1.100) 17.289 17.035 ( -14.961 14.596 1.005) 20.926 17.608 ( -4.484 11.239 -2.438) 12.344 18.250 ( 0.189 2.364 1.136) 2.629 18.412 ( 2.618 -1.516 -6.553) 7.218 20.964 ( -3.273 1.377 6.579) 7.476 21.226 ( 3.575 -0.067 -6.571) 7.481 21.582 ( -1.967 -0.434 2.030) 2.860 21.760 ( 0.273 -0.066 0.333) 0.435 21.891 ( -0.758 -6.282 3.189) 7.086 22.248 ( 13.165 1.127 6.339) 14.655 23.036 ( -4.442 -0.160 -0.008) 4.445 23.185 ( 0.544 -4.609 -6.500) 7.987 23.601 ( -2.630 -5.030 -1.231) 5.808 23.735 ( -0.709 -2.792 -4.626) 5.449 23.753 ( 1.078 -0.510 2.792) 3.036 23.821 ( 1.126 -1.877 0.231) 2.201 24.066 ( -2.296 2.984 2.376) 4.453 24.206 ( 0.693 2.087 -3.238) 3.914 24.313 ( -4.497 4.070 -2.905) 6.725 24.478 ( -0.874 5.464 4.621) 7.209 ======================= Grid point 226 (110/140) ======================= q-point: (-0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.869 ( -13.085 -0.000 -9.206) 15.999 1.172 ( 9.852 0.000 4.661) 10.899 1.266 ( -26.965 -0.000 -11.248) 29.217 1.910 ( -3.362 -0.000 7.641) 8.348 1.994 ( -0.108 -0.000 1.083) 1.088 2.088 ( 11.287 0.000 9.329) 14.643 2.238 ( -17.795 -0.000 2.472) 17.966 2.321 ( 1.648 0.000 -5.198) 5.453 2.481 ( -6.808 -0.000 6.456) 9.382 2.734 ( -2.170 -0.000 4.482) 4.979 2.760 ( 1.376 0.000 -8.277) 8.391 2.928 ( 10.808 0.000 -1.763) 10.951 3.210 ( -0.539 -0.000 -2.617) 2.672 3.259 ( 0.567 0.000 4.853) 4.886 3.345 ( -8.634 -0.000 -3.344) 9.259 3.392 ( 0.462 0.000 -0.466) 0.656 3.642 ( 10.300 0.000 -4.354) 11.182 3.655 ( 3.950 0.000 7.693) 8.648 3.881 ( 2.099 0.000 3.568) 4.140 3.957 ( 3.353 0.000 -3.045) 4.529 4.007 ( -5.939 -0.000 -1.074) 6.036 4.403 ( 0.439 0.000 0.785) 0.899 4.479 ( -0.731 -0.000 -4.349) 4.410 4.555 ( 15.127 0.000 4.162) 15.690 4.707 ( -4.976 -0.000 -6.876) 8.487 4.890 ( 6.537 0.000 8.763) 10.933 5.154 ( -6.042 -0.000 5.852) 8.411 5.261 ( -4.311 -0.000 -0.598) 4.353 5.387 ( -1.512 -0.000 -0.270) 1.535 5.451 ( -0.961 -0.000 -2.265) 2.461 5.578 ( 2.163 0.000 3.324) 3.966 5.712 ( 1.780 0.000 -9.816) 9.976 5.865 ( -4.845 -0.000 -4.696) 6.748 5.917 ( -6.315 -0.000 5.412) 8.317 6.043 ( -5.245 -0.000 -1.604) 5.485 6.211 ( -2.628 -0.000 10.103) 10.439 6.422 ( 5.997 0.000 -1.949) 6.306 6.632 ( 10.592 0.000 -2.276) 10.834 6.711 ( -6.765 -0.000 8.510) 10.872 6.782 ( -8.615 -0.000 -20.662) 22.386 7.836 ( 3.490 0.000 8.806) 9.472 7.875 ( -8.125 -0.000 -1.011) 8.188 7.921 ( 2.834 0.000 -1.426) 3.173 7.931 ( -0.517 -0.000 -1.396) 1.488 8.067 ( 2.650 0.000 -1.810) 3.209 8.182 ( -0.685 -0.000 -4.364) 4.417 8.356 ( -3.816 -0.000 -3.213) 4.989 8.512 ( 3.268 0.000 7.203) 7.910 8.740 ( -3.114 -0.000 9.132) 9.648 9.012 ( 10.940 0.000 6.540) 12.746 9.129 ( 12.492 0.000 3.903) 13.087 9.220 ( 10.215 0.000 -17.310) 20.099 10.213 ( -6.998 -0.000 9.411) 11.727 10.249 ( -6.946 -0.000 -2.524) 7.390 10.603 ( -3.283 -0.000 -0.110) 3.285 10.739 ( 2.877 0.000 6.443) 7.057 10.799 ( -2.107 -0.000 -2.597) 3.344 10.924 ( 0.561 0.000 -8.225) 8.244 11.087 ( 3.095 0.000 -0.283) 3.107 11.100 ( 5.172 0.000 3.502) 6.246 11.934 ( -0.756 -0.000 4.886) 4.944 12.122 ( 3.671 0.000 -0.722) 3.741 12.160 ( -5.558 -0.000 9.577) 11.073 12.206 ( -7.303 -0.000 -8.634) 11.308 12.419 ( -4.777 -0.000 10.895) 11.896 12.611 ( -2.875 -0.000 -9.888) 10.298 12.894 ( -3.556 -0.000 4.544) 5.771 13.136 ( 1.556 0.000 -9.777) 9.900 13.400 ( 1.099 0.000 9.094) 9.160 13.484 ( 0.062 0.000 0.622) 0.625 13.644 ( 2.350 0.000 -12.661) 12.877 13.902 ( 4.393 0.000 -4.047) 5.973 14.072 ( -8.753 -0.000 -1.218) 8.837 14.308 ( 0.120 0.000 4.986) 4.988 14.611 ( 5.834 0.000 3.066) 6.590 14.632 ( 15.912 0.000 0.173) 15.913 17.660 ( -17.274 -0.000 -3.231) 17.574 18.108 ( -7.468 -0.000 7.029) 10.256 18.350 ( 2.394 0.000 -6.078) 6.532 18.585 ( 17.255 0.000 -5.487) 18.106 21.025 ( -0.722 -0.000 10.566) 10.591 21.245 ( 3.233 0.000 -11.571) 12.014 21.572 ( -1.334 -0.000 4.102) 4.313 21.650 ( 2.828 0.000 7.977) 8.464 21.798 ( -2.116 -0.000 6.584) 6.916 21.960 ( 2.166 0.000 -4.079) 4.618 22.990 ( -1.570 -0.000 -2.039) 2.573 23.011 ( 0.274 0.000 1.796) 1.817 23.489 ( -3.675 -0.000 3.462) 5.049 23.602 ( -1.839 -0.000 -0.633) 1.945 23.653 ( 2.462 0.000 0.165) 2.468 23.702 ( 1.592 0.000 -3.154) 3.533 24.170 ( -2.704 -0.000 1.146) 2.937 24.262 ( 1.707 0.000 0.497) 1.778 24.615 ( -2.337 -0.000 12.266) 12.487 24.912 ( 1.040 0.000 -22.645) 22.669 ======================= Grid point 227 (111/140) ======================= q-point: (-0.22 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.929 ( -12.694 -19.646 -1.089) 23.416 1.153 ( -20.910 -15.980 -4.166) 26.645 1.390 ( 7.708 -13.383 5.048) 16.248 1.873 ( -16.608 1.318 10.549) 19.719 2.096 ( 0.331 -7.401 0.873) 7.459 2.141 ( -7.252 -4.545 1.557) 8.699 2.240 ( 3.319 -7.479 2.074) 8.441 2.348 ( 6.219 -0.291 0.094) 6.227 2.550 ( -0.046 -6.686 6.827) 9.556 2.740 ( -1.381 -2.242 -0.742) 2.736 2.786 ( -0.232 -5.777 -4.750) 7.483 2.969 ( 8.529 6.132 -2.638) 10.831 3.172 ( -2.133 -2.484 -0.222) 3.281 3.232 ( -5.001 1.000 0.083) 5.100 3.327 ( -5.654 -2.283 0.284) 6.104 3.477 ( 4.607 -5.607 2.646) 7.724 3.679 ( 9.627 2.625 -2.186) 10.215 3.753 ( 3.116 -2.789 4.135) 5.881 3.889 ( 2.445 3.156 1.922) 4.431 3.946 ( 2.087 -0.883 -1.045) 2.495 4.022 ( 2.001 -4.147 -3.124) 5.565 4.310 ( -1.571 7.908 -5.207) 9.597 4.470 ( -2.768 1.140 1.935) 3.564 4.619 ( 3.621 1.706 -3.028) 5.019 4.686 ( 3.640 -1.219 -0.786) 3.918 4.974 ( 7.677 1.198 5.536) 9.540 5.102 ( -9.223 1.465 6.719) 11.505 5.239 ( -3.032 -0.631 -2.913) 4.252 5.346 ( 0.183 2.586 -0.530) 2.646 5.432 ( -1.846 1.664 -0.955) 2.663 5.575 ( 2.565 3.137 6.150) 7.365 5.709 ( -0.442 0.559 -7.669) 7.702 5.810 ( 0.970 -1.731 -4.968) 5.349 5.844 ( -7.378 3.392 2.059) 8.378 5.991 ( -4.088 1.098 1.701) 4.562 6.250 ( -4.713 -1.475 7.158) 8.696 6.496 ( -4.895 -5.940 -1.358) 7.816 6.608 ( -1.250 4.113 -11.893) 12.646 6.638 ( 6.701 3.227 -5.484) 9.241 6.772 ( 0.192 -6.348 5.351) 8.305 7.825 ( -6.839 -1.491 -0.076) 7.000 7.830 ( 3.223 5.032 1.966) 6.291 7.902 ( 2.307 1.446 -2.610) 3.772 7.997 ( -0.997 -1.706 -2.237) 2.984 8.108 ( 2.056 -3.878 1.658) 4.692 8.175 ( -1.940 -2.522 -3.795) 4.953 8.312 ( -0.905 1.299 -0.048) 1.584 8.557 ( 1.645 0.390 4.955) 5.236 8.766 ( -1.594 0.076 8.831) 8.974 9.117 ( 11.592 1.847 -1.039) 11.784 9.205 ( 7.934 -3.089 0.484) 8.528 9.470 ( 17.876 -16.536 -2.076) 24.439 10.128 ( -8.862 6.042 2.294) 10.969 10.184 ( -3.011 1.520 1.549) 3.712 10.589 ( -3.943 -1.571 -0.679) 4.299 10.791 ( -2.333 -2.070 -0.899) 3.245 10.815 ( 3.626 -2.104 5.139) 6.632 10.933 ( 2.396 -3.730 -6.332) 7.730 11.130 ( 2.933 -1.909 -1.362) 3.755 11.212 ( 7.210 -6.036 8.473) 12.657 11.890 ( -4.485 6.427 -0.481) 7.852 12.071 ( -5.382 3.244 4.034) 7.468 12.127 ( 2.881 1.409 -7.248) 7.926 12.176 ( -8.099 -0.071 6.872) 10.622 12.315 ( -2.456 8.734 6.120) 10.944 12.560 ( -0.532 1.407 -6.489) 6.661 12.874 ( -5.271 0.810 5.463) 7.634 13.135 ( 2.356 -1.457 -2.297) 3.598 13.343 ( 1.300 8.755 5.774) 10.568 13.481 ( 3.192 5.433 -6.445) 9.014 13.629 ( 0.819 -5.224 -5.196) 7.413 13.832 ( -2.562 2.770 -1.543) 4.077 14.135 ( -6.847 -9.872 -3.461) 12.502 14.365 ( 4.385 -1.392 3.297) 5.660 14.619 ( 9.161 0.575 2.006) 9.396 14.942 ( 13.751 -15.787 0.975) 20.959 17.454 ( -15.390 7.163 -5.092) 17.723 18.032 ( -11.012 6.699 7.506) 14.916 18.345 ( 2.281 -0.972 -6.713) 7.157 18.494 ( 6.333 13.264 -12.965) 19.600 21.049 ( -0.600 2.776 9.972) 10.369 21.221 ( 3.181 -0.451 -10.245) 10.737 21.587 ( -0.004 0.641 5.984) 6.019 21.731 ( 2.911 -1.868 5.131) 6.188 21.781 ( -2.483 2.888 5.867) 6.995 22.121 ( 13.409 -10.478 8.670) 19.099 22.990 ( -1.233 -2.265 -0.627) 2.654 23.033 ( -0.503 -1.806 -1.284) 2.272 23.462 ( -5.564 -2.662 -5.779) 8.452 23.643 ( 0.194 -1.817 -9.348) 9.525 23.653 ( 0.423 -3.921 6.074) 7.242 23.749 ( 2.982 -1.153 5.779) 6.605 24.141 ( -2.680 1.377 0.549) 3.062 24.264 ( 1.269 0.965 -1.255) 2.029 24.596 ( -4.943 6.840 2.237) 8.731 24.697 ( -5.405 7.948 -14.516) 17.409 ======================= Grid point 228 (112/140) ======================= q-point: (-0.11 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.213 ( -8.800 -20.884 9.161) 24.444 1.395 ( -12.046 -20.373 6.203) 24.467 1.722 ( -0.267 -15.434 9.834) 18.303 1.834 ( -11.867 -10.521 6.548) 17.158 2.174 ( 2.449 -4.256 -9.001) 10.254 2.212 ( -1.985 -4.947 -2.009) 5.696 2.413 ( 4.894 -5.015 -1.897) 7.260 2.449 ( 4.462 -7.414 5.346) 10.171 2.687 ( 4.235 -2.774 3.174) 5.975 2.807 ( -0.201 -6.624 0.222) 6.631 2.875 ( -0.161 1.265 0.944) 1.586 2.908 ( 2.128 -7.485 -5.300) 9.415 3.165 ( -3.922 0.983 -2.092) 4.553 3.259 ( -2.339 -4.022 1.698) 4.953 3.332 ( -7.296 -4.596 4.177) 9.581 3.532 ( 0.629 3.301 -0.036) 3.361 3.730 ( 8.456 -0.287 -2.073) 8.711 3.827 ( 4.368 -0.735 1.777) 4.772 3.853 ( 3.803 -0.601 1.367) 4.086 4.046 ( 4.843 -3.205 -1.226) 5.935 4.101 ( 6.912 2.006 -5.308) 8.942 4.146 ( -5.929 -2.172 0.064) 6.315 4.378 ( -7.074 5.266 1.274) 8.910 4.615 ( 3.843 0.298 -2.323) 4.500 4.712 ( 1.647 0.850 -1.354) 2.296 4.962 ( -3.316 4.399 1.331) 5.667 5.099 ( -0.120 -1.825 3.855) 4.267 5.189 ( -0.904 2.041 -4.279) 4.826 5.334 ( 1.068 0.311 1.911) 2.211 5.372 ( -1.795 2.237 2.133) 3.574 5.541 ( -1.035 5.838 4.529) 7.461 5.659 ( 1.798 1.482 -1.894) 3.003 5.731 ( -4.314 1.565 -4.784) 6.630 5.837 ( -1.391 -0.683 -2.953) 3.335 5.997 ( 1.647 -0.781 1.454) 2.331 6.218 ( -10.233 -0.717 0.280) 10.262 6.483 ( 2.239 5.020 -0.334) 5.507 6.511 ( -2.409 2.123 0.421) 3.238 6.652 ( 4.946 -1.519 -5.647) 7.658 6.933 ( 3.523 -6.824 1.710) 7.868 7.735 ( -0.463 4.800 -4.211) 6.402 7.825 ( -3.058 -0.289 1.407) 3.379 7.886 ( 4.948 3.650 -0.872) 6.210 7.928 ( -2.061 5.143 -1.940) 5.871 8.182 ( -0.799 -1.868 -2.762) 3.429 8.210 ( 0.045 -4.755 -0.177) 4.759 8.309 ( -0.703 -0.281 3.388) 3.472 8.563 ( 1.150 2.634 4.255) 5.135 8.814 ( 0.535 -1.908 8.312) 8.545 9.170 ( 9.912 -0.933 -5.083) 11.178 9.360 ( 6.721 -7.288 3.326) 10.457 9.715 ( -1.657 0.671 1.237) 2.174 9.958 ( -9.606 5.902 3.566) 11.825 10.237 ( 12.623 -7.053 -7.019) 16.073 10.580 ( -3.050 -1.298 -2.568) 4.193 10.817 ( -3.006 -3.478 0.295) 4.607 10.910 ( 2.865 -3.415 4.767) 6.526 11.003 ( 5.293 -4.623 -6.862) 9.822 11.167 ( 1.726 -1.368 -3.556) 4.183 11.460 ( 7.977 -7.263 11.103) 15.481 11.677 ( -9.525 8.779 -0.760) 12.976 11.989 ( -1.706 6.772 0.996) 7.055 12.079 ( 1.515 2.516 -4.396) 5.286 12.105 ( -5.650 1.864 5.811) 8.316 12.317 ( 4.249 -3.548 4.708) 7.267 12.513 ( 0.675 0.929 -2.315) 2.585 12.837 ( -7.697 1.087 5.115) 9.305 13.096 ( 3.565 12.198 6.193) 14.137 13.275 ( 4.606 1.942 -2.058) 5.406 13.370 ( 2.552 4.386 -4.211) 6.594 13.733 ( 2.679 -5.864 -2.035) 6.760 13.784 ( -2.068 0.576 -0.192) 2.155 14.207 ( -7.534 -7.961 -4.452) 11.831 14.416 ( 1.213 -0.146 0.993) 1.574 14.737 ( 10.434 -3.430 1.784) 11.127 15.317 ( 12.661 -14.935 0.248) 19.580 17.150 ( -14.307 12.572 -3.651) 19.393 17.749 ( -15.219 14.375 1.425) 20.983 18.295 ( -0.686 4.060 -6.713) 7.875 18.366 ( 1.983 -2.046 -7.111) 7.660 21.024 ( -1.689 3.819 7.964) 8.992 21.211 ( 2.890 -0.681 -7.496) 8.062 21.601 ( 0.649 1.554 5.929) 6.163 21.726 ( -3.344 -0.882 -1.356) 3.715 21.842 ( 1.393 -3.235 7.316) 8.120 22.425 ( 20.312 -0.454 11.332) 23.264 23.006 ( -3.176 0.643 -1.786) 3.700 23.074 ( 2.260 -6.500 -4.300) 8.115 23.465 ( -4.855 -6.038 -4.823) 9.126 23.645 ( 0.152 -3.245 -7.956) 8.593 23.749 ( 0.841 -2.641 4.178) 5.013 23.820 ( 2.187 -1.521 4.945) 5.617 24.095 ( -2.513 1.814 0.642) 3.165 24.218 ( -3.290 3.155 -7.396) 8.688 24.331 ( -7.730 5.501 -5.756) 11.097 24.578 ( -3.854 5.368 5.323) 8.486 ======================= Grid point 236 (113/140) ======================= q-point: (-0.22 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( -12.931 -0.000 1.589) 13.028 0.817 ( -21.507 -0.000 6.147) 22.368 1.365 ( 5.977 0.000 7.257) 9.402 1.797 ( -26.535 -0.000 12.557) 29.356 2.006 ( -0.448 -0.000 0.468) 0.648 2.059 ( -3.887 -0.000 3.011) 4.917 2.180 ( 4.373 0.000 -6.371) 7.728 2.451 ( 8.466 0.000 8.828) 12.232 2.503 ( -3.132 -0.000 10.166) 10.637 2.699 ( 1.238 0.000 -8.418) 8.509 2.724 ( -1.422 -0.000 1.371) 1.975 3.084 ( 10.050 0.000 -2.155) 10.278 3.163 ( -3.570 -0.000 -0.136) 3.573 3.236 ( -4.532 -0.000 -0.506) 4.561 3.243 ( -1.926 -0.000 -1.188) 2.263 3.454 ( 5.753 0.000 1.257) 5.889 3.765 ( 1.958 0.000 4.955) 5.328 3.768 ( 8.012 0.000 -1.628) 8.176 3.897 ( -2.489 -0.000 -5.624) 6.150 3.939 ( 2.250 0.000 -0.440) 2.293 4.033 ( 9.252 0.000 -1.734) 9.413 4.395 ( -2.771 -0.000 -6.875) 7.412 4.425 ( 0.281 0.000 1.438) 1.465 4.575 ( -5.996 -0.000 -0.875) 6.060 4.777 ( 9.811 0.000 0.285) 9.815 5.013 ( -8.982 -0.000 4.796) 10.182 5.112 ( 3.506 0.000 0.321) 3.521 5.207 ( -2.087 -0.000 0.141) 2.092 5.389 ( -1.974 -0.000 -3.740) 4.229 5.465 ( 8.860 0.000 12.392) 15.233 5.652 ( 1.862 0.000 -6.046) 6.326 5.666 ( 3.474 0.000 4.952) 6.049 5.774 ( -1.306 -0.000 -5.057) 5.223 5.842 ( -8.234 -0.000 4.943) 9.603 5.983 ( -3.376 -0.000 1.102) 3.551 6.254 ( -18.791 -0.000 -9.400) 21.011 6.268 ( -3.242 -0.000 10.273) 10.773 6.611 ( 8.977 0.000 -11.856) 14.871 6.652 ( -10.269 -0.000 7.157) 12.517 6.760 ( 8.256 0.000 -4.556) 9.430 7.758 ( -5.414 -0.000 -1.417) 5.596 7.895 ( 0.180 0.000 -4.081) 4.085 7.923 ( -0.463 -0.000 -0.099) 0.473 7.946 ( 1.617 0.000 -2.226) 2.751 8.107 ( -2.217 -0.000 -4.854) 5.337 8.113 ( 2.664 0.000 3.780) 4.624 8.326 ( 1.003 0.000 0.670) 1.206 8.563 ( -1.178 -0.000 1.100) 1.612 8.860 ( 4.309 0.000 15.555) 16.141 9.239 ( 7.341 0.000 4.409) 8.563 9.291 ( 18.260 0.000 -8.934) 20.328 9.404 ( 13.879 0.000 7.384) 15.722 10.132 ( -4.956 -0.000 -1.751) 5.256 10.161 ( -9.056 -0.000 4.891) 10.293 10.542 ( -4.635 -0.000 0.322) 4.646 10.752 ( -0.715 -0.000 -2.343) 2.449 10.882 ( 2.684 0.000 -5.562) 6.176 10.883 ( 6.575 0.000 7.266) 9.799 11.120 ( 1.955 0.000 -1.358) 2.380 11.271 ( 9.370 0.000 12.697) 15.780 11.920 ( -3.139 -0.000 -2.078) 3.764 12.033 ( -5.738 -0.000 -6.020) 8.316 12.143 ( -5.675 -0.000 8.262) 10.023 12.156 ( 3.296 0.000 -2.877) 4.375 12.442 ( -6.574 -0.000 12.525) 14.145 12.547 ( 1.635 0.000 -1.576) 2.271 12.889 ( -3.283 -0.000 4.462) 5.540 13.024 ( -3.744 -0.000 -8.086) 8.910 13.504 ( 2.013 0.000 7.707) 7.965 13.518 ( 1.729 0.000 0.114) 1.733 13.569 ( 5.330 0.000 -11.284) 12.480 13.845 ( -5.025 -0.000 -3.720) 6.252 13.962 ( -4.666 -0.000 1.012) 4.774 14.418 ( 7.459 0.000 2.332) 7.815 14.719 ( 3.946 0.000 3.654) 5.378 14.868 ( 14.524 0.000 -0.127) 14.524 17.374 ( -13.118 -0.000 -7.015) 14.876 18.047 ( -9.396 -0.000 7.586) 12.076 18.314 ( 1.784 0.000 -7.485) 7.695 18.540 ( -6.849 -0.000 -29.740) 30.519 21.122 ( 0.358 0.000 7.127) 7.136 21.191 ( 3.039 0.000 -9.405) 9.884 21.639 ( 1.758 0.000 8.933) 9.104 21.739 ( 0.199 0.000 2.625) 2.632 21.964 ( 2.469 0.000 -3.066) 3.936 22.121 ( 24.047 0.000 35.857) 43.174 22.951 ( -1.042 -0.000 -1.968) 2.226 23.019 ( -0.686 -0.000 0.083) 0.691 23.348 ( -6.871 -0.000 -9.846) 12.006 23.582 ( 0.602 0.000 -10.372) 10.390 23.660 ( 0.468 0.000 9.238) 9.250 23.792 ( 2.957 0.000 5.892) 6.592 24.132 ( -2.805 -0.000 -0.341) 2.826 24.267 ( 0.104 0.000 -3.794) 3.796 24.577 ( -14.061 -0.000 -29.737) 32.894 24.664 ( -5.025 -0.000 9.244) 10.521 ======================= Grid point 237 (114/140) ======================= q-point: (-0.11 -0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 244 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.890 ( -0.848 -27.310 15.292) 31.311 0.923 ( -9.806 -18.529 12.909) 24.620 1.506 ( -15.510 -9.847 16.673) 24.809 1.677 ( -8.788 -3.275 9.966) 13.685 2.078 ( 3.796 -4.264 -9.583) 11.155 2.091 ( -0.818 -6.741 -4.405) 8.094 2.275 ( 4.326 -9.388 -2.034) 10.535 2.474 ( -0.426 1.326 9.461) 9.563 2.644 ( 0.009 -7.598 9.661) 12.291 2.725 ( -1.252 -6.023 -5.370) 8.166 2.734 ( 1.667 -1.231 1.574) 2.602 3.035 ( 3.490 8.879 -3.365) 10.116 3.128 ( -2.988 0.235 -0.870) 3.121 3.217 ( 0.951 -1.556 1.878) 2.618 3.261 ( -2.951 -2.207 0.990) 3.816 3.564 ( 4.930 -3.196 -0.258) 5.881 3.731 ( 2.577 1.897 -3.153) 4.492 3.852 ( 2.552 -1.051 1.578) 3.179 3.869 ( 0.577 -1.767 -4.912) 5.252 3.989 ( 3.355 -4.760 -4.963) 7.651 4.090 ( 6.513 1.589 -1.422) 6.854 4.240 ( 0.169 7.500 -1.797) 7.714 4.422 ( -6.115 3.191 1.960) 7.171 4.574 ( -3.416 -3.562 1.760) 5.240 4.782 ( 6.533 4.796 -3.748) 8.929 4.972 ( -11.480 -1.856 1.511) 11.727 5.086 ( 3.873 2.692 -1.274) 4.886 5.225 ( 1.409 -1.314 1.362) 2.359 5.329 ( -1.462 3.024 -1.649) 3.742 5.482 ( 4.888 7.975 7.723) 12.130 5.646 ( 3.314 -0.906 -3.131) 4.648 5.678 ( 0.390 4.380 -0.544) 4.431 5.745 ( -5.426 5.222 1.934) 7.775 5.829 ( 3.139 0.296 -0.590) 3.207 5.975 ( -1.507 -2.433 4.281) 5.149 6.113 ( -11.497 -1.660 -1.806) 11.756 6.424 ( -2.675 -9.876 5.646) 11.686 6.566 ( -0.340 1.834 -1.146) 2.189 6.671 ( 6.190 0.358 -7.105) 9.430 6.823 ( 2.516 -6.378 -0.721) 6.895 7.723 ( -4.284 -0.359 -2.075) 4.774 7.849 ( 0.453 2.649 -3.159) 4.148 7.914 ( 0.137 -1.155 -2.849) 3.077 7.954 ( 0.793 0.080 -3.498) 3.588 8.094 ( -1.689 -2.944 -2.577) 4.261 8.165 ( 0.058 -1.939 2.045) 2.818 8.338 ( 2.063 0.699 2.433) 3.265 8.572 ( -1.886 -1.710 0.616) 2.620 8.932 ( 6.705 4.444 15.377) 17.354 9.290 ( 14.397 5.128 -4.435) 15.913 9.338 ( 5.403 -2.112 5.273) 7.839 9.669 ( 6.565 -8.132 0.792) 10.482 9.998 ( -11.773 7.030 1.861) 13.838 10.175 ( 3.268 -5.358 -3.676) 7.273 10.524 ( -3.864 -1.599 -0.219) 4.187 10.756 ( -0.493 -1.904 -0.960) 2.189 10.887 ( 3.071 -1.479 -1.571) 3.753 10.984 ( 7.112 -2.210 -0.815) 7.492 11.138 ( 1.342 -1.144 -2.596) 3.139 11.467 ( 8.866 -5.254 9.967) 14.337 11.784 ( -5.116 9.879 1.226) 11.193 12.014 ( -1.581 -2.504 -2.647) 3.972 12.106 ( -6.280 5.210 3.613) 8.924 12.149 ( 2.122 2.181 -1.421) 3.359 12.361 ( 1.213 3.381 7.653) 8.454 12.544 ( 1.705 1.939 0.955) 2.753 12.835 ( -6.612 2.172 5.424) 8.824 13.177 ( 5.193 -12.522 -0.600) 13.570 13.420 ( 2.115 10.232 4.873) 11.528 13.466 ( 5.636 9.584 -4.756) 12.093 13.639 ( 3.499 -6.818 0.254) 7.668 13.779 ( -2.035 0.388 -2.100) 2.950 14.005 ( -5.840 -5.835 -1.094) 8.328 14.457 ( 3.729 2.375 0.525) 4.452 14.774 ( 8.145 -2.386 3.028) 9.011 15.141 ( 11.124 -15.973 -0.339) 19.468 17.194 ( -10.004 6.964 -7.465) 14.293 17.857 ( -22.449 14.933 0.293) 26.963 18.244 ( -12.896 -0.335 -18.115) 22.238 18.314 ( 1.889 -1.429 -7.856) 8.205 21.117 ( -0.837 3.310 5.332) 6.331 21.182 ( 2.961 -0.919 -7.535) 8.148 21.680 ( 1.464 1.597 7.775) 8.071 21.746 ( 0.633 3.937 3.638) 5.397 21.866 ( 0.370 3.321 6.075) 6.933 22.647 ( 31.258 -4.633 19.954) 37.372 22.965 ( -0.233 -2.604 -6.794) 7.280 23.003 ( 2.101 -1.577 1.090) 2.844 23.292 ( -6.533 -5.234 -7.726) 11.391 23.564 ( 1.539 -2.535 -8.524) 9.025 23.735 ( 1.029 -2.549 7.951) 8.413 23.845 ( 2.481 -0.642 5.378) 5.958 24.097 ( -3.264 1.102 -1.418) 3.726 24.154 ( -16.721 3.460 -17.957) 24.780 24.315 ( -6.053 2.269 -4.521) 7.888 24.636 ( -6.442 2.812 5.878) 9.163 ======================= Grid point 246 (115/140) ======================= q-point: (-0.11 -0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( -0.181 -0.000 18.411) 18.412 0.912 ( 5.663 0.000 32.805) 33.290 1.358 ( -26.531 -0.000 25.465) 36.775 1.644 ( -1.472 -0.000 4.319) 4.563 1.977 ( 2.402 0.000 -8.282) 8.624 2.046 ( 3.478 0.000 -5.488) 6.497 2.219 ( 5.994 0.000 -3.654) 7.020 2.504 ( -9.482 -0.000 8.889) 12.997 2.614 ( 0.482 0.000 5.537) 5.558 2.645 ( 1.389 0.000 -2.656) 2.997 2.769 ( 2.571 0.000 7.057) 7.511 3.068 ( -5.132 -0.000 -9.399) 10.709 3.121 ( -0.744 -0.000 -1.249) 1.454 3.221 ( 2.303 0.000 -0.418) 2.340 3.260 ( 1.890 0.000 3.936) 4.366 3.565 ( 8.575 0.000 -0.950) 8.627 3.791 ( -1.388 -0.000 -0.886) 1.647 3.820 ( -0.069 -0.000 -6.788) 6.789 3.848 ( 3.840 0.000 0.448) 3.866 3.926 ( 2.250 0.000 -7.620) 7.945 4.183 ( 9.218 0.000 1.396) 9.323 4.271 ( -6.789 -0.000 -4.246) 8.007 4.408 ( -4.717 -0.000 -0.298) 4.726 4.533 ( -2.421 -0.000 6.471) 6.908 4.853 ( -9.314 -0.000 -0.864) 9.354 4.872 ( 6.045 0.000 -4.108) 7.308 5.137 ( 3.510 0.000 -4.841) 5.979 5.177 ( -7.636 -0.000 3.425) 8.369 5.369 ( 7.140 0.000 -4.488) 8.434 5.624 ( 2.483 0.000 -6.081) 6.568 5.685 ( -4.545 -0.000 0.901) 4.634 5.750 ( -0.431 -0.000 5.223) 5.240 5.780 ( -4.434 -0.000 2.626) 5.153 5.851 ( 4.837 0.000 2.380) 5.391 5.943 ( -4.621 -0.000 4.229) 6.264 6.081 ( 16.152 0.000 7.475) 17.798 6.289 ( -6.984 -0.000 9.407) 11.716 6.570 ( -8.608 -0.000 8.125) 11.837 6.650 ( 8.390 0.000 -10.658) 13.564 6.798 ( 4.566 0.000 -6.563) 7.995 7.682 ( -2.806 -0.000 -1.842) 3.356 7.853 ( 0.104 0.000 -6.103) 6.104 7.863 ( -4.336 -0.000 -1.539) 4.601 7.948 ( 3.986 0.000 -4.644) 6.119 8.051 ( -0.343 -0.000 -1.717) 1.750 8.157 ( -1.160 -0.000 2.096) 2.395 8.374 ( 2.327 0.000 2.749) 3.602 8.535 ( -3.119 -0.000 0.673) 3.191 9.117 ( 8.387 0.000 15.262) 17.414 9.357 ( 4.191 0.000 3.097) 5.211 9.508 ( 15.844 0.000 -3.626) 16.254 9.618 ( 6.968 0.000 2.954) 7.568 10.001 ( -15.156 -0.000 -0.959) 15.187 10.077 ( -0.364 -0.000 -1.844) 1.879 10.481 ( -4.145 -0.000 2.212) 4.699 10.736 ( 0.831 0.000 -1.506) 1.720 10.897 ( 4.840 0.000 -3.651) 6.062 11.012 ( 7.006 0.000 -3.333) 7.758 11.133 ( 1.345 0.000 -0.289) 1.376 11.495 ( 0.033 0.000 1.327) 1.328 11.911 ( 3.866 0.000 3.398) 5.148 11.928 ( -2.284 -0.000 -2.999) 3.770 12.126 ( -7.551 -0.000 0.795) 7.593 12.176 ( 3.223 0.000 -3.234) 4.566 12.462 ( -6.683 -0.000 13.173) 14.771 12.585 ( 2.657 0.000 1.515) 3.059 12.869 ( -3.764 -0.000 2.416) 4.473 13.025 ( 11.711 0.000 -0.013) 11.711 13.505 ( 6.540 0.000 -6.274) 9.063 13.593 ( 0.429 0.000 4.578) 4.598 13.700 ( 13.923 0.000 4.710) 14.698 13.727 ( -5.901 -0.000 -0.700) 5.943 13.980 ( 6.226 0.000 5.547) 8.339 14.525 ( 4.309 0.000 -0.642) 4.356 14.806 ( 3.116 0.000 5.018) 5.907 15.042 ( 7.362 0.000 -0.108) 7.363 17.165 ( -2.581 -0.000 -9.538) 9.881 17.773 ( -50.833 -0.000 -27.208) 57.657 17.978 ( -9.331 -0.000 8.373) 12.537 18.283 ( 3.069 0.000 -7.780) 8.363 21.146 ( -1.938 -0.000 1.204) 2.282 21.164 ( 3.347 0.000 -6.505) 7.316 21.766 ( -0.236 -0.000 3.832) 3.839 21.789 ( 4.219 0.000 13.013) 13.680 21.971 ( 2.066 0.000 -3.020) 3.659 22.893 ( 7.705 0.000 -5.225) 9.309 22.925 ( 0.206 0.000 -1.959) 1.969 23.063 ( 24.559 0.000 12.318) 27.475 23.160 ( -1.865 -0.000 -3.060) 3.584 23.508 ( 1.934 0.000 -9.061) 9.265 23.771 ( 2.828 0.000 10.371) 10.750 23.884 ( 2.323 0.000 5.061) 5.569 23.896 ( -27.828 -0.000 -14.444) 31.353 24.077 ( -3.323 -0.000 -1.617) 3.696 24.295 ( -0.506 -0.000 -1.248) 1.347 24.628 ( -8.491 -0.000 4.652) 9.682 ======================= Grid point 247 (116/140) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.268 ( -7.614 -0.000 -16.684) 18.339 1.268 ( 7.614 0.000 16.684) 18.339 1.611 ( 16.883 0.000 -21.943) 27.687 1.611 ( -16.883 -0.000 21.943) 27.687 2.109 ( -10.950 -0.000 -6.526) 12.747 2.109 ( 10.950 0.000 6.526) 12.747 2.335 ( -12.880 -0.000 -25.496) 28.565 2.335 ( 12.880 0.000 25.496) 28.565 2.538 ( 7.604 0.000 -5.487) 9.377 2.538 ( -7.604 -0.000 5.487) 9.377 2.957 ( 3.714 0.000 -11.134) 11.737 2.957 ( -3.714 -0.000 11.134) 11.737 3.092 ( -3.402 -0.000 -8.008) 8.701 3.092 ( 3.402 0.000 8.008) 8.701 3.507 ( 2.534 0.000 -9.761) 10.085 3.507 ( -2.534 -0.000 9.761) 10.085 3.669 ( -1.704 -0.000 -0.576) 1.799 3.669 ( 1.704 0.000 0.576) 1.799 3.912 ( -1.862 -0.000 -0.530) 1.936 3.912 ( 1.862 0.000 0.530) 1.936 4.168 ( -3.108 -0.000 -2.343) 3.892 4.168 ( 3.108 0.000 2.343) 3.892 4.534 ( -8.848 -0.000 -7.767) 11.774 4.534 ( 8.848 0.000 7.767) 11.774 4.796 ( 2.807 0.000 -2.184) 3.557 4.796 ( -2.807 -0.000 2.184) 3.557 5.171 ( 5.960 0.000 -2.742) 6.561 5.171 ( -5.960 -0.000 2.742) 6.561 5.391 ( -3.476 -0.000 -3.157) 4.696 5.391 ( 3.476 0.000 3.157) 4.696 5.695 ( 0.189 0.000 -2.210) 2.218 5.695 ( -0.189 -0.000 2.210) 2.218 5.854 ( 3.856 0.000 -3.334) 5.097 5.854 ( -3.856 -0.000 3.334) 5.097 6.190 ( 5.401 0.000 -13.190) 14.253 6.190 ( -5.401 -0.000 13.190) 14.253 6.458 ( 9.379 0.000 -11.024) 14.474 6.458 ( -9.379 -0.000 11.024) 14.474 6.700 ( 8.504 0.000 -7.847) 11.572 6.700 ( -8.504 -0.000 7.847) 11.572 7.664 ( 1.590 0.000 -4.688) 4.950 7.664 ( -1.590 -0.000 4.688) 4.950 7.862 ( 4.546 0.000 -4.995) 6.754 7.862 ( -4.546 -0.000 4.995) 6.754 8.121 ( -3.275 -0.000 -1.727) 3.702 8.121 ( 3.275 0.000 1.727) 3.702 8.480 ( -3.653 -0.000 -1.182) 3.840 8.480 ( 3.653 0.000 1.182) 3.840 9.456 ( -6.861 -0.000 1.889) 7.116 9.456 ( 6.861 0.000 -1.889) 7.116 9.667 ( -20.424 -0.000 3.514) 20.724 9.667 ( 20.424 0.000 -3.514) 20.724 9.884 ( -0.882 -0.000 -9.150) 9.192 9.884 ( 0.882 0.000 9.150) 9.192 10.630 ( 0.460 0.000 -7.888) 7.902 10.630 ( -0.460 -0.000 7.888) 7.902 10.926 ( -2.543 -0.000 -1.225) 2.822 10.926 ( 2.543 0.000 1.225) 2.822 11.263 ( -5.041 -0.000 -6.093) 7.908 11.263 ( 5.041 0.000 6.093) 7.908 11.903 ( -9.923 -0.000 1.915) 10.106 11.903 ( 9.923 0.000 -1.915) 10.106 12.097 ( 2.898 0.000 -4.910) 5.701 12.097 ( -2.898 -0.000 4.910) 5.701 12.705 ( 10.608 0.000 -5.148) 11.791 12.705 ( -10.608 -0.000 5.148) 11.791 12.881 ( 2.678 0.000 -8.173) 8.600 12.881 ( -2.678 -0.000 8.173) 8.600 13.540 ( -8.728 -0.000 1.512) 8.858 13.540 ( 8.728 0.000 -1.512) 8.858 13.801 ( 1.157 0.000 -3.661) 3.839 13.801 ( -1.157 -0.000 3.661) 3.839 14.427 ( -10.446 -0.000 -4.186) 11.254 14.427 ( 10.446 0.000 4.186) 11.254 15.027 ( -6.031 -0.000 -2.540) 6.545 15.027 ( 6.031 0.000 2.540) 6.545 17.010 ( -21.656 -0.000 7.071) 22.781 17.010 ( 21.656 0.000 -7.071) 22.781 18.108 ( 6.526 0.000 -8.952) 11.078 18.108 ( -6.526 -0.000 8.952) 11.078 21.115 ( 4.105 0.000 -1.501) 4.371 21.115 ( -4.105 -0.000 1.501) 4.371 21.887 ( 1.372 0.000 -4.516) 4.720 21.887 ( -1.372 -0.000 4.516) 4.720 22.334 ( -7.813 -0.000 -16.839) 18.563 22.334 ( 7.813 0.000 16.839) 18.563 22.938 ( -6.041 -0.000 -1.327) 6.185 22.938 ( 6.041 0.000 1.327) 6.185 23.336 ( 5.442 0.000 -6.334) 8.350 23.336 ( -5.442 -0.000 6.334) 8.350 23.911 ( -5.580 -0.000 -4.108) 6.929 23.911 ( 5.580 0.000 4.108) 6.929 24.021 ( 0.324 0.000 -1.121) 1.167 24.021 ( -0.324 -0.000 1.121) 1.167 24.468 ( -16.581 -0.000 -2.215) 16.729 24.468 ( 16.581 0.000 2.215) 16.729 ======================= Grid point 249 (117/140) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -4.516 -14.606 -16.108) 22.208 1.460 ( 3.832 -7.749 6.633) 10.896 1.668 ( -7.370 -6.388 17.581) 20.105 1.715 ( 16.162 -6.305 -10.012) 20.030 2.054 ( -13.133 -10.466 -12.240) 20.781 2.149 ( -5.666 -4.496 -16.811) 18.301 2.302 ( 6.815 -7.921 -3.243) 10.941 2.550 ( -0.657 -7.224 3.409) 8.015 2.578 ( 4.399 -2.187 11.603) 12.600 2.659 ( 9.058 -6.923 7.890) 13.865 2.929 ( 0.574 -0.350 -11.909) 11.928 2.971 ( -5.983 0.135 2.719) 6.573 3.019 ( -2.252 0.330 -1.214) 2.580 3.140 ( 4.503 1.271 7.497) 8.837 3.462 ( -0.812 0.748 -7.204) 7.288 3.515 ( -3.750 0.176 5.009) 6.260 3.636 ( -0.382 3.499 2.589) 4.370 3.675 ( 3.173 1.941 1.493) 4.008 3.878 ( -6.265 -0.443 -0.099) 6.281 3.947 ( -0.330 -3.867 -0.857) 3.975 4.116 ( 0.883 4.903 -0.011) 4.982 4.210 ( 9.238 2.670 4.706) 10.705 4.450 ( -9.839 -3.291 -7.420) 12.755 4.628 ( 4.023 -0.888 5.077) 6.538 4.743 ( -4.583 3.066 -0.121) 5.515 4.822 ( 5.564 -0.156 -0.361) 5.578 5.163 ( -4.389 -2.658 -1.646) 5.388 5.226 ( 1.458 -3.300 0.944) 3.729 5.345 ( -3.612 0.637 -2.780) 4.603 5.432 ( 2.208 0.448 6.417) 6.801 5.682 ( -3.164 1.855 0.529) 3.706 5.699 ( -4.146 5.289 1.112) 6.812 5.759 ( 6.086 6.001 -2.637) 8.945 5.787 ( 6.477 6.021 -1.186) 8.923 6.104 ( 0.451 6.616 -5.546) 8.645 6.116 ( -3.241 6.426 2.071) 7.489 6.443 ( -6.148 -1.347 9.437) 11.344 6.470 ( 6.574 -0.386 -5.227) 8.407 6.732 ( -6.016 -5.206 -1.503) 8.096 6.822 ( 6.127 -6.063 -2.274) 8.914 7.672 ( 0.162 -0.650 -1.335) 1.494 7.700 ( 0.314 -2.448 4.081) 4.769 7.855 ( -3.300 -0.029 4.525) 5.601 7.874 ( 4.371 0.289 -3.752) 5.767 8.111 ( -2.972 -2.642 -1.363) 4.203 8.169 ( 3.082 -1.921 0.280) 3.643 8.452 ( -3.693 -0.584 -1.817) 4.157 8.524 ( 3.542 -1.168 1.486) 4.015 9.304 ( -12.667 6.915 -0.498) 14.440 9.441 ( 4.126 3.216 -0.520) 5.257 9.538 ( -15.458 1.326 -0.515) 15.523 9.761 ( 14.141 4.183 -3.016) 15.052 9.871 ( 1.624 -2.705 -8.283) 8.863 9.975 ( 0.407 -3.563 11.961) 12.487 10.605 ( 1.020 -0.685 -8.617) 8.704 10.684 ( 1.464 -2.369 5.976) 6.593 10.913 ( -4.278 -2.235 -0.782) 4.890 10.964 ( 0.921 -2.256 1.286) 2.755 11.197 ( -4.319 0.566 -4.389) 6.183 11.329 ( 5.849 0.648 7.022) 9.162 11.822 ( -8.480 2.078 4.063) 9.630 11.961 ( 11.325 1.862 -0.538) 11.489 12.091 ( 0.783 -0.094 -5.083) 5.144 12.105 ( -3.461 -0.507 4.913) 6.032 12.601 ( -9.141 4.424 -1.199) 10.226 12.760 ( 12.274 1.120 -5.312) 13.421 12.817 ( -3.476 3.235 -4.773) 6.732 12.937 ( 2.322 -0.886 9.340) 9.665 13.504 ( -6.631 -2.126 -0.740) 7.003 13.603 ( 4.248 -0.984 2.553) 5.052 13.801 ( -0.627 -1.457 -4.125) 4.420 13.828 ( -0.932 -3.215 0.130) 3.350 14.152 ( -17.336 12.764 -7.629) 22.840 14.401 ( 6.610 8.378 3.515) 11.236 15.019 ( -12.606 -5.949 -2.061) 14.091 15.185 ( 4.882 -10.806 0.221) 11.860 16.927 ( -8.456 1.297 7.952) 11.680 17.181 ( 28.463 1.670 -0.382) 28.514 18.126 ( -4.829 -2.298 8.120) 9.723 18.143 ( 6.877 -2.536 -7.228) 10.294 21.104 ( -4.062 -1.179 2.367) 4.847 21.147 ( 4.087 -0.706 -1.822) 4.530 21.806 ( -1.132 6.438 -2.391) 6.960 21.836 ( -0.448 5.714 1.601) 5.951 22.204 ( -6.109 0.176 -14.219) 15.477 22.462 ( 8.832 2.394 15.480) 17.982 22.926 ( -3.836 -3.253 -1.571) 5.269 23.025 ( 4.126 -3.407 5.097) 7.390 23.347 ( -7.424 -4.624 0.732) 8.777 23.440 ( 2.388 -8.326 3.223) 9.242 23.843 ( -5.825 0.381 -4.519) 7.382 23.964 ( 3.904 0.371 2.009) 4.406 23.999 ( -1.347 0.394 -3.322) 3.606 24.011 ( -0.857 -0.039 -0.843) 1.202 24.331 ( -9.244 1.655 -2.982) 9.853 24.565 ( 15.865 4.235 0.025) 16.421 ======================= Grid point 250 (118/140) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 0.374 -18.117 -8.303) 19.932 1.627 ( 2.528 -8.868 -1.986) 9.433 1.842 ( 2.642 -8.291 7.679) 11.605 1.911 ( 8.443 -6.628 0.762) 10.761 2.111 ( -10.527 -10.939 -9.192) 17.747 2.175 ( -3.705 -13.121 -19.703) 23.960 2.489 ( 3.219 -8.417 -1.185) 9.089 2.656 ( -2.991 -4.803 4.022) 6.942 2.722 ( 5.899 -4.559 0.708) 7.489 2.823 ( -2.196 -1.419 3.002) 3.981 2.852 ( -2.516 -2.076 -3.678) 4.916 2.963 ( -0.261 -4.871 -6.116) 7.823 3.036 ( -4.055 -2.017 4.740) 6.556 3.231 ( 9.136 -2.278 6.325) 11.343 3.412 ( 1.441 1.741 -5.503) 5.949 3.497 ( -0.696 1.690 1.614) 2.438 3.609 ( -1.175 -0.674 4.570) 4.767 3.672 ( -1.761 2.251 9.958) 10.360 3.862 ( 0.381 -0.853 -0.535) 1.077 3.993 ( -1.678 -1.253 0.282) 2.113 4.072 ( 1.279 -1.301 -0.560) 1.908 4.257 ( 9.721 1.833 1.912) 10.076 4.404 ( -9.883 -2.692 -6.209) 11.977 4.609 ( -5.332 3.334 5.092) 8.092 4.723 ( 1.531 -2.130 -2.542) 3.653 4.853 ( 9.172 4.522 0.060) 10.227 5.147 ( -5.910 -1.133 -3.354) 6.889 5.263 ( -8.067 -1.237 3.429) 8.852 5.322 ( 2.232 -1.953 -4.366) 5.278 5.455 ( -1.097 2.392 7.567) 8.012 5.506 ( -3.543 7.707 -0.754) 8.516 5.608 ( 1.407 3.206 2.130) 4.098 5.706 ( 2.459 4.034 -3.330) 5.780 5.811 ( 5.559 0.272 -3.648) 6.654 5.999 ( 3.420 4.784 -0.204) 5.884 6.065 ( 1.845 -0.988 1.699) 2.695 6.429 ( -5.588 2.954 6.420) 9.010 6.516 ( 3.575 -1.029 -0.538) 3.758 6.726 ( -2.785 -0.449 -5.962) 6.596 6.916 ( 3.657 -1.155 1.767) 4.223 7.647 ( -3.274 2.057 1.830) 4.278 7.776 ( 3.114 -2.980 0.358) 4.324 7.848 ( -1.737 1.387 3.963) 4.544 7.870 ( 3.280 2.602 -1.963) 4.624 8.141 ( -2.905 -2.489 1.485) 4.104 8.224 ( 2.757 -2.650 -1.815) 4.233 8.420 ( -3.048 0.052 -2.859) 4.179 8.567 ( 2.206 0.149 1.451) 2.645 9.122 ( -14.570 1.167 1.839) 14.732 9.355 ( -12.460 5.373 -6.827) 15.190 9.471 ( 4.258 -3.768 0.181) 5.689 9.733 ( 9.993 7.158 -4.252) 13.007 9.893 ( 4.773 0.234 -5.029) 6.937 10.091 ( -2.153 -4.164 12.842) 13.671 10.585 ( 1.228 -0.847 -7.948) 8.087 10.784 ( 3.293 -3.963 3.783) 6.392 10.930 ( -4.904 -3.947 0.984) 6.371 11.018 ( 0.435 -2.728 0.078) 2.764 11.146 ( -4.056 -0.830 -3.205) 5.236 11.400 ( 6.027 0.261 7.017) 9.254 11.769 ( -4.111 0.407 2.653) 4.910 11.956 ( 6.427 6.877 -2.849) 9.835 12.086 ( -3.905 0.536 0.037) 3.941 12.098 ( 2.685 -0.715 -1.103) 2.989 12.458 ( -9.526 1.914 0.480) 9.728 12.709 ( -4.325 1.721 -7.753) 9.043 12.792 ( 11.704 3.720 -1.923) 12.431 12.972 ( 0.768 4.721 11.052) 12.042 13.445 ( -2.589 4.713 -7.035) 8.854 13.614 ( -1.308 7.714 -0.921) 7.878 13.748 ( -11.453 -1.871 -2.456) 11.862 13.839 ( -9.447 -4.330 -3.498) 10.964 13.977 ( 5.661 -4.697 2.975) 7.935 14.363 ( 6.465 3.349 2.123) 7.584 14.983 ( -14.693 -3.541 -1.994) 15.244 15.394 ( 2.281 -9.708 1.033) 10.026 16.889 ( -0.467 3.370 5.358) 6.347 17.329 ( 22.847 5.506 2.928) 23.683 18.180 ( -3.322 -3.231 7.069) 8.452 18.217 ( 6.242 -3.257 -4.717) 8.475 21.104 ( -4.596 -0.476 3.280) 5.666 21.169 ( 3.770 0.170 -3.936) 5.453 21.689 ( -0.877 4.741 -0.487) 4.846 21.749 ( 0.563 3.961 -0.800) 4.080 22.106 ( -3.053 0.418 -9.881) 10.350 22.508 ( 8.190 7.857 11.845) 16.405 22.945 ( -4.216 -3.453 -3.617) 6.540 23.134 ( -3.651 -4.586 7.282) 9.348 23.396 ( -7.174 -8.979 -1.448) 11.583 23.579 ( -6.387 -6.444 2.287) 9.357 23.802 ( 2.553 0.374 -1.610) 3.042 23.966 ( 2.356 0.289 -3.094) 3.900 23.977 ( -0.533 -0.496 -2.072) 2.196 24.034 ( 2.007 -1.435 0.973) 2.652 24.264 ( -1.903 0.745 -0.650) 2.144 24.571 ( 11.678 7.004 -0.799) 13.640 ======================= Grid point 251 (119/140) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( 3.666 -14.397 -3.665) 15.302 1.781 ( 2.261 -9.091 -4.844) 10.546 2.025 ( 1.513 -4.880 9.735) 10.995 2.045 ( 5.679 -4.496 -5.587) 9.148 2.173 ( -6.316 -9.787 -3.988) 12.313 2.284 ( -0.805 -9.494 -12.423) 15.656 2.511 ( -5.184 2.118 -4.744) 7.339 2.693 ( 0.446 -0.495 -1.605) 1.738 2.727 ( 0.541 2.745 -0.856) 2.926 2.854 ( -2.684 -1.883 2.000) 3.841 2.925 ( -0.136 -1.749 0.481) 1.819 3.047 ( -4.199 -10.083 -0.378) 10.929 3.103 ( -1.560 -8.014 3.260) 8.791 3.293 ( 2.884 3.261 -0.928) 4.451 3.379 ( 0.586 3.678 3.779) 5.306 3.537 ( 4.325 -2.144 -2.800) 5.580 3.669 ( -0.744 -3.367 6.969) 7.776 3.676 ( 3.441 -2.323 3.852) 5.664 3.928 ( 1.405 -3.907 3.351) 5.335 4.023 ( 0.021 -4.215 -0.556) 4.252 4.104 ( 2.601 1.873 2.327) 3.961 4.317 ( 4.105 2.506 -2.050) 5.228 4.341 ( -3.801 -6.571 -6.196) 9.799 4.569 ( -6.304 0.581 6.638) 9.173 4.735 ( -3.181 -1.650 -4.591) 5.824 4.790 ( 6.324 8.340 -1.147) 10.529 5.111 ( -0.302 0.182 -1.585) 1.624 5.199 ( -7.462 2.266 0.844) 7.844 5.339 ( 0.115 1.314 0.712) 1.499 5.426 ( -1.550 0.768 1.674) 2.407 5.466 ( -0.130 -3.154 1.860) 3.664 5.605 ( 2.482 2.614 -0.274) 3.615 5.657 ( 1.148 -0.543 -0.292) 1.303 5.832 ( 1.289 -1.509 -1.904) 2.750 5.944 ( 3.898 6.331 -0.945) 7.495 6.155 ( 2.779 -3.761 3.341) 5.748 6.351 ( -4.497 3.271 3.935) 6.812 6.525 ( 0.153 1.443 1.052) 1.793 6.680 ( 2.409 1.526 -6.532) 7.128 6.957 ( 2.888 0.457 4.791) 5.613 7.595 ( -3.356 1.468 1.874) 4.115 7.793 ( 0.256 4.628 -0.519) 4.664 7.806 ( 1.206 4.627 0.482) 4.806 7.853 ( 1.379 -1.727 -0.754) 2.335 8.117 ( -4.451 3.244 2.574) 6.079 8.305 ( 3.074 -5.241 -1.619) 6.289 8.378 ( -0.720 1.642 -1.943) 2.644 8.562 ( 0.056 1.901 0.326) 1.929 9.082 ( -11.232 -3.193 7.540) 13.899 9.149 ( -8.614 1.266 -11.419) 14.360 9.603 ( 4.294 -6.317 -0.711) 7.671 9.658 ( 5.516 5.404 -4.805) 9.095 9.869 ( 4.639 5.276 -0.498) 7.043 10.209 ( -1.618 -5.012 9.551) 10.907 10.588 ( 2.258 -2.127 -6.034) 6.785 10.854 ( -0.306 -0.601 0.242) 0.716 10.990 ( 1.275 -2.653 6.300) 6.954 11.057 ( -1.047 -2.956 -0.819) 3.241 11.146 ( -3.824 -5.078 -4.755) 7.938 11.472 ( 5.015 0.113 5.884) 7.732 11.737 ( -1.682 2.351 -3.609) 4.624 11.869 ( -1.097 2.702 0.145) 2.920 11.983 ( -2.614 6.641 -1.387) 7.271 12.143 ( 4.276 -0.839 -1.508) 4.611 12.436 ( -6.466 -4.203 5.530) 9.490 12.631 ( -3.107 -0.238 -7.498) 8.120 12.806 ( 11.303 4.865 -0.587) 12.320 12.906 ( -0.995 6.588 6.429) 9.259 13.237 ( -7.581 7.844 -8.630) 13.909 13.453 ( -3.655 4.808 -1.558) 6.237 13.751 ( -3.645 -1.798 2.671) 4.863 13.843 ( -4.364 -3.137 -1.837) 5.679 14.165 ( 6.046 -7.586 3.436) 10.292 14.390 ( 5.227 0.120 0.590) 5.261 14.908 ( -12.607 -1.269 -1.528) 12.763 15.545 ( 0.635 -6.257 1.381) 6.439 16.853 ( 1.877 3.803 2.908) 5.142 17.375 ( 13.298 6.097 2.122) 14.782 18.241 ( -2.527 -2.730 6.010) 7.068 18.286 ( 4.668 -2.037 -3.553) 6.210 21.065 ( -3.451 2.116 0.388) 4.067 21.174 ( 2.232 -0.103 -2.652) 3.468 21.633 ( -0.721 1.765 0.531) 1.979 21.725 ( 1.581 -0.387 -0.180) 1.637 22.054 ( -0.269 -0.282 -6.455) 6.467 22.440 ( 3.351 10.066 6.948) 12.682 22.940 ( -5.565 -2.819 -3.334) 7.074 23.179 ( -6.700 -3.437 2.619) 7.973 23.533 ( -0.745 -10.216 0.916) 10.284 23.623 ( -4.119 -4.389 0.513) 6.041 23.807 ( 1.460 0.968 -0.970) 2.002 23.941 ( -2.206 0.041 -3.179) 3.870 24.001 ( 6.360 2.801 0.951) 7.015 24.093 ( 1.056 -3.336 1.476) 3.798 24.256 ( -0.006 -0.600 0.517) 0.792 24.516 ( 6.957 6.998 -0.972) 9.915 ======================= Grid point 252 (120/140) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.887 ( 1.951 -3.124 -1.446) 3.957 1.947 ( 2.158 -7.452 -5.544) 9.535 2.053 ( -1.514 1.053 4.103) 4.499 2.172 ( 2.012 -4.875 1.574) 5.504 2.273 ( 1.409 -3.332 -3.425) 4.982 2.350 ( -2.518 -4.189 -2.410) 5.449 2.395 ( -3.025 3.294 -2.286) 5.023 2.670 ( -0.744 0.485 -0.115) 0.896 2.737 ( 2.089 -2.852 -3.917) 5.276 2.811 ( -2.294 4.673 3.403) 6.219 2.915 ( -0.688 0.723 -0.655) 1.194 3.171 ( -2.484 -4.923 1.695) 5.769 3.242 ( 1.738 -3.582 0.536) 4.018 3.253 ( -0.339 -0.411 -0.675) 0.860 3.324 ( -0.811 3.825 3.811) 5.459 3.540 ( 0.190 -0.166 -1.241) 1.266 3.704 ( -0.208 -0.461 1.789) 1.859 3.858 ( 7.456 -5.006 -0.350) 8.987 3.972 ( -0.650 -0.460 -0.493) 0.936 4.066 ( -3.116 1.665 1.194) 3.730 4.116 ( 1.000 -3.927 1.955) 4.500 4.341 ( 7.748 -2.654 -0.640) 8.215 4.418 ( 1.731 -3.334 -5.720) 6.843 4.499 ( -11.065 3.213 5.632) 12.825 4.668 ( -0.719 2.950 -2.458) 3.907 4.774 ( 2.380 -1.221 -0.024) 2.675 5.088 ( 2.732 3.840 -1.082) 4.836 5.124 ( -6.392 -0.471 0.991) 6.486 5.322 ( 0.934 0.711 0.550) 1.296 5.414 ( -0.872 0.246 0.771) 1.190 5.549 ( 0.931 -3.536 -0.400) 3.678 5.592 ( 0.159 -0.767 0.728) 1.070 5.688 ( 1.121 0.149 -0.215) 1.151 5.841 ( 2.798 1.125 -2.950) 4.219 5.853 ( -1.999 3.361 2.226) 4.500 6.211 ( 0.634 -0.235 1.294) 1.460 6.323 ( -1.187 -0.437 1.186) 1.734 6.516 ( -0.102 -0.059 1.114) 1.120 6.647 ( 1.909 1.558 -2.889) 3.797 6.993 ( 1.657 -0.116 2.725) 3.191 7.578 ( -1.558 -0.626 0.796) 1.858 7.712 ( 1.219 3.296 -1.006) 3.655 7.734 ( -1.540 3.230 0.518) 3.615 7.888 ( 1.700 -1.071 -1.034) 2.260 8.032 ( -3.147 2.775 1.030) 4.320 8.332 ( -1.415 0.532 -0.629) 1.637 8.422 ( 5.718 -3.565 -0.609) 6.766 8.512 ( -3.444 2.529 0.249) 4.280 8.994 ( -3.201 2.410 -0.909) 4.108 9.186 ( -4.073 -5.961 0.220) 7.223 9.589 ( 4.572 3.793 -3.104) 6.702 9.721 ( -3.308 -7.094 -2.021) 8.084 9.801 ( 4.254 6.820 2.363) 8.378 10.302 ( -0.327 -2.442 3.723) 4.465 10.625 ( 2.023 -1.808 -2.384) 3.611 10.826 ( -1.790 1.366 0.249) 2.266 11.042 ( 1.728 0.786 2.677) 3.281 11.127 ( 2.910 -4.129 -0.234) 5.057 11.182 ( -4.797 -3.524 -2.476) 6.447 11.520 ( 2.514 0.283 3.246) 4.116 11.642 ( -1.781 3.167 -3.157) 4.813 11.836 ( -3.323 0.848 -1.195) 3.632 11.887 ( 1.777 2.387 0.806) 3.083 12.169 ( 1.539 -0.153 -0.363) 1.589 12.507 ( -3.307 -3.968 5.358) 7.442 12.602 ( -0.334 -1.771 -6.390) 6.639 12.741 ( 1.896 7.303 2.852) 8.067 12.890 ( 5.731 -0.240 -2.041) 6.088 13.059 ( -6.816 3.449 -1.069) 7.713 13.374 ( -0.844 1.929 -0.691) 2.216 13.760 ( -1.072 -0.455 0.853) 1.444 13.852 ( -1.540 -1.176 -0.583) 2.023 14.300 ( 2.283 -2.625 1.420) 3.757 14.432 ( 2.953 -0.671 0.220) 3.036 14.838 ( -5.813 -0.095 -0.666) 5.852 15.624 ( 0.075 -2.251 0.645) 2.343 16.825 ( 0.994 1.702 0.898) 2.166 17.371 ( 4.260 2.560 0.674) 5.015 18.281 ( -1.295 -1.133 2.944) 3.410 18.319 ( 2.028 -0.558 -1.968) 2.880 21.013 ( -1.148 1.207 -0.525) 1.747 21.179 ( 0.648 -0.060 -0.647) 0.918 21.613 ( -0.365 0.404 0.018) 0.544 21.757 ( 0.896 -1.101 0.729) 1.596 22.043 ( 0.532 -0.640 -2.958) 3.073 22.335 ( -0.051 5.032 2.383) 5.567 22.933 ( -2.281 -1.178 -1.118) 2.800 23.190 ( -2.205 -1.220 0.336) 2.542 23.665 ( -1.109 -2.655 0.094) 2.879 23.696 ( 0.319 -6.255 2.596) 6.780 23.791 ( 0.357 0.845 -0.770) 1.197 23.898 ( -1.826 1.518 -2.761) 3.642 23.986 ( 3.462 2.736 0.457) 4.436 24.142 ( 0.168 -0.995 0.888) 1.344 24.284 ( -0.176 -1.707 0.762) 1.877 24.453 ( 2.538 3.651 -0.676) 4.497 ======================= Grid point 258 (121/140) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.979 ( -5.997 -0.000 -19.492) 20.393 1.418 ( 1.839 0.000 -9.588) 9.763 1.650 ( -5.401 -0.000 21.329) 22.002 1.720 ( 2.894 0.000 -10.486) 10.878 1.793 ( 0.752 0.000 -10.943) 10.969 2.067 ( 5.741 0.000 -16.939) 17.886 2.258 ( 5.841 0.000 -2.423) 6.324 2.469 ( -6.792 -0.000 7.996) 10.491 2.618 ( 7.706 0.000 -3.096) 8.305 2.780 ( 11.839 0.000 19.411) 22.736 2.863 ( -2.016 -0.000 -11.882) 12.052 2.918 ( -7.785 -0.000 -3.309) 8.459 3.019 ( -1.683 -0.000 4.702) 4.994 3.202 ( 3.322 0.000 3.116) 4.555 3.421 ( -0.226 -0.000 -9.985) 9.988 3.489 ( -6.970 -0.000 5.911) 9.139 3.716 ( 2.912 0.000 5.406) 6.140 3.722 ( 2.052 0.000 2.149) 2.971 3.826 ( -5.235 -0.000 0.906) 5.312 3.870 ( -3.814 -0.000 -1.967) 4.291 4.212 ( 4.593 0.000 2.656) 5.305 4.267 ( -10.686 -0.000 -6.124) 12.316 4.360 ( 7.269 0.000 4.943) 8.791 4.660 ( 3.760 0.000 -1.672) 4.115 4.761 ( -4.421 -0.000 3.132) 5.418 4.809 ( 1.290 0.000 0.546) 1.400 5.115 ( -1.716 -0.000 -0.177) 1.725 5.206 ( -3.322 -0.000 1.716) 3.739 5.326 ( 0.864 0.000 -2.349) 2.503 5.483 ( 2.437 0.000 6.635) 7.069 5.683 ( -3.549 -0.000 1.180) 3.740 5.745 ( 1.148 0.000 3.457) 3.643 5.868 ( 5.727 0.000 -0.247) 5.732 5.883 ( 6.930 0.000 -6.670) 9.618 6.119 ( 2.376 0.000 -11.816) 12.052 6.127 ( -14.060 -0.000 3.660) 14.529 6.429 ( -8.129 -0.000 11.187) 13.828 6.478 ( 6.074 0.000 -9.915) 11.628 6.660 ( -5.876 -0.000 7.079) 9.200 6.761 ( 11.220 0.000 -11.002) 15.714 7.668 ( 2.588 0.000 -1.176) 2.843 7.712 ( 0.246 0.000 7.540) 7.544 7.845 ( -3.536 -0.000 4.752) 5.924 7.890 ( 4.761 0.000 -3.907) 6.158 8.062 ( -1.525 -0.000 -1.777) 2.342 8.175 ( 2.169 0.000 0.194) 2.178 8.414 ( -3.663 -0.000 -1.230) 3.864 8.543 ( 3.219 0.000 0.533) 3.262 9.310 ( -9.958 -0.000 -3.663) 10.611 9.347 ( -20.457 -0.000 3.422) 20.741 9.510 ( -1.948 -0.000 -2.658) 3.296 9.748 ( -0.939 -0.000 -11.004) 11.044 9.967 ( 14.764 0.000 2.406) 14.959 9.985 ( 0.973 0.000 8.071) 8.129 10.580 ( 3.623 0.000 -8.236) 8.998 10.691 ( 0.819 0.000 3.551) 3.644 10.858 ( -5.099 -0.000 0.376) 5.113 10.950 ( -1.145 -0.000 1.632) 1.994 11.157 ( -3.413 -0.000 -2.764) 4.391 11.416 ( 5.897 0.000 7.152) 9.270 11.819 ( -5.815 -0.000 6.922) 9.040 11.985 ( -0.680 -0.000 -2.754) 2.837 12.095 ( -3.488 -0.000 4.839) 5.965 12.122 ( 4.811 0.000 -0.005) 4.811 12.620 ( -1.776 -0.000 -1.005) 2.041 12.773 ( 10.458 0.000 -17.020) 19.977 12.894 ( 5.237 0.000 -0.020) 5.237 12.917 ( -4.283 -0.000 8.686) 9.685 13.403 ( -11.859 -0.000 3.702) 12.424 13.640 ( 5.335 0.000 0.009) 5.335 13.767 ( 0.361 0.000 -5.228) 5.240 13.782 ( -3.940 -0.000 -2.295) 4.560 14.119 ( -15.681 -0.000 -8.308) 17.746 14.499 ( -2.464 -0.000 1.882) 3.101 14.893 ( -5.790 -0.000 -3.854) 6.955 15.035 ( -7.653 -0.000 0.675) 7.683 16.977 ( 4.794 0.000 9.484) 10.627 17.465 ( 33.873 0.000 7.669) 34.730 18.114 ( -4.114 -0.000 9.302) 10.171 18.140 ( 8.194 0.000 -8.193) 11.588 21.075 ( -3.721 -0.000 2.745) 4.624 21.166 ( 4.053 0.000 -1.255) 4.243 21.849 ( -0.541 -0.000 -4.364) 4.397 21.884 ( -4.451 -0.000 3.719) 5.800 22.085 ( -4.478 -0.000 -14.960) 15.616 22.621 ( 7.446 0.000 17.121) 18.670 22.880 ( -2.404 -0.000 2.604) 3.544 23.058 ( 5.033 0.000 3.158) 5.942 23.283 ( -12.059 -0.000 -5.844) 13.401 23.328 ( -5.046 -0.000 9.397) 10.666 23.813 ( 3.073 0.000 -2.100) 3.722 23.960 ( -2.748 -0.000 -7.197) 7.704 23.971 ( -0.985 -0.000 -3.881) 4.004 24.022 ( 2.496 0.000 3.709) 4.470 24.284 ( -3.638 -0.000 -0.491) 3.671 24.715 ( 15.422 0.000 -4.134) 15.966 ======================= Grid point 259 (122/140) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.083 ( -0.654 -22.393 -12.401) 25.606 1.411 ( -2.112 -10.340 -23.298) 25.576 1.708 ( -5.244 -9.727 0.226) 11.053 1.800 ( -4.538 -8.755 6.792) 11.974 1.909 ( 8.112 -4.466 8.075) 12.286 2.049 ( 17.184 0.656 -18.746) 25.439 2.343 ( 1.030 -7.872 -6.750) 10.421 2.538 ( -2.795 -7.330 8.875) 11.845 2.674 ( 3.852 -1.682 -5.035) 6.559 2.798 ( -2.756 -0.997 -7.865) 8.393 2.842 ( -6.025 -1.253 -4.450) 7.594 2.908 ( 2.014 2.419 8.977) 9.513 3.026 ( -1.457 0.106 7.336) 7.480 3.248 ( 3.603 -2.354 -0.270) 4.312 3.393 ( 2.914 -1.838 -9.305) 9.922 3.498 ( -2.599 -1.895 6.269) 7.046 3.675 ( -0.718 5.720 3.627) 6.811 3.751 ( 2.775 0.605 6.121) 6.748 3.818 ( -4.055 -1.633 2.981) 5.291 3.905 ( -2.260 -5.118 -0.430) 5.612 4.097 ( -6.292 3.780 -2.192) 7.660 4.267 ( -3.890 -1.502 -1.976) 4.615 4.414 ( 8.510 3.284 3.360) 9.721 4.653 ( -3.382 3.458 1.859) 5.182 4.700 ( 1.008 0.334 -3.641) 3.793 4.918 ( 4.845 -5.795 4.332) 8.708 5.101 ( 0.267 1.702 -2.061) 2.686 5.187 ( -8.102 -1.415 3.841) 9.077 5.317 ( 1.550 1.436 -0.471) 2.165 5.530 ( 1.501 0.836 6.963) 7.172 5.615 ( -6.300 7.773 0.633) 10.025 5.650 ( -0.538 5.215 -3.122) 6.102 5.831 ( 5.656 5.369 -2.500) 8.190 5.867 ( 3.656 4.762 -5.449) 8.108 6.059 ( -1.089 -0.899 -0.327) 1.449 6.088 ( 4.185 1.640 -2.621) 5.203 6.437 ( -6.726 -1.511 8.589) 11.013 6.524 ( 3.584 -1.713 -1.180) 4.144 6.630 ( -3.985 -2.146 -2.711) 5.276 6.875 ( 6.160 -5.999 -6.028) 10.501 7.689 ( 2.370 1.298 1.381) 3.034 7.756 ( 1.039 -1.338 5.194) 5.463 7.858 ( -1.996 -1.001 4.394) 4.929 7.914 ( 4.441 0.043 -1.915) 4.837 8.074 ( -0.226 -2.955 -0.262) 2.975 8.197 ( 0.601 -1.353 -0.898) 1.731 8.380 ( -3.480 -0.247 -1.749) 3.903 8.577 ( 1.807 -1.063 0.455) 2.146 9.091 ( -15.194 6.709 1.975) 16.727 9.276 ( -14.150 -0.223 -4.581) 14.875 9.432 ( -2.680 0.749 -4.617) 5.391 9.762 ( -0.769 -6.049 -8.993) 10.866 9.985 ( 7.267 4.038 3.402) 8.983 10.084 ( 3.773 -0.115 6.276) 7.324 10.572 ( 4.074 0.403 -6.185) 7.417 10.742 ( 1.633 -3.728 1.135) 4.225 10.842 ( -4.579 -2.176 1.580) 5.311 10.968 ( -2.045 -2.823 0.816) 3.580 11.117 ( -2.931 0.810 -0.768) 3.137 11.483 ( 4.347 0.124 5.712) 7.179 11.787 ( -2.206 2.728 4.775) 5.925 11.991 ( -5.603 -3.989 -3.599) 7.762 12.078 ( -3.805 2.808 3.783) 6.056 12.145 ( 6.775 0.762 1.561) 6.994 12.488 ( -1.049 10.619 -4.441) 11.558 12.675 ( -2.686 3.018 -10.067) 10.847 12.913 ( 9.195 2.251 -2.787) 9.868 13.062 ( 2.548 -4.325 8.845) 10.170 13.392 ( -8.277 -5.896 1.288) 10.244 13.627 ( -10.222 7.244 -10.632) 16.432 13.687 ( 1.513 0.915 -2.321) 2.918 13.750 ( -1.283 -0.623 -2.252) 2.666 13.985 ( 1.332 0.172 0.818) 1.573 14.447 ( -2.130 2.956 1.500) 3.941 14.818 ( -11.499 -1.609 -1.305) 11.685 15.140 ( -9.136 -15.379 -0.382) 17.892 17.046 ( 11.579 4.771 7.505) 14.600 17.680 ( 26.467 8.757 10.885) 29.928 18.149 ( -2.802 -2.008 8.676) 9.336 18.194 ( 7.780 -2.830 -5.582) 9.985 21.073 ( -3.788 -1.018 3.702) 5.393 21.187 ( 3.567 0.346 -2.582) 4.418 21.772 ( -0.341 5.238 -1.988) 5.613 21.805 ( -4.007 4.697 -1.226) 6.294 22.017 ( -2.650 -1.875 -11.153) 11.616 22.740 ( 7.416 2.581 14.770) 16.728 22.864 ( -7.014 0.476 -2.556) 7.480 23.044 ( -12.591 -0.927 -0.657) 12.642 23.215 ( -0.749 -6.763 -0.373) 6.814 23.419 ( -6.003 -7.267 5.946) 11.144 23.850 ( 3.866 1.345 0.285) 4.103 23.940 ( -1.527 -0.439 -4.224) 4.513 23.947 ( 5.718 -2.072 -2.419) 6.545 24.059 ( 2.542 0.117 3.313) 4.178 24.272 ( 0.365 0.535 1.409) 1.550 24.754 ( 12.142 4.952 -5.789) 14.333 ======================= Grid point 260 (123/140) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( 5.201 -20.180 -6.130) 21.723 1.550 ( 0.424 -19.494 -17.481) 26.188 1.874 ( -5.640 -13.882 -7.722) 16.857 1.938 ( -1.815 -6.903 13.936) 15.657 2.054 ( 2.846 -1.723 7.350) 8.068 2.147 ( 18.275 -5.206 -17.187) 25.621 2.442 ( -3.136 -6.257 -4.325) 8.227 2.625 ( -2.818 -2.439 -8.769) 9.528 2.729 ( -5.891 -3.434 1.916) 7.083 2.751 ( -2.830 -3.942 2.953) 5.680 2.872 ( -3.435 -1.949 -1.926) 4.394 2.891 ( 1.943 -5.339 -0.907) 5.753 3.066 ( 0.906 -0.056 8.367) 8.416 3.306 ( 0.317 -2.218 -2.404) 3.286 3.442 ( 4.538 -0.598 -2.216) 5.086 3.520 ( 3.576 -0.789 -1.520) 3.965 3.644 ( -0.958 -0.943 5.129) 5.302 3.769 ( -0.921 3.288 10.672) 11.205 3.862 ( -1.817 -4.188 -0.275) 4.573 3.916 ( -3.888 -2.390 0.096) 4.565 4.113 ( 0.941 -7.975 -0.294) 8.036 4.210 ( -4.677 1.874 -4.672) 6.871 4.411 ( 6.779 4.759 -0.328) 8.289 4.568 ( -5.610 2.512 3.490) 7.069 4.703 ( 0.305 -0.075 -2.822) 2.839 5.000 ( 7.726 9.274 -0.004) 12.070 5.072 ( -0.840 -4.718 -0.127) 4.794 5.159 ( -6.741 -0.229 3.428) 7.566 5.327 ( -0.470 -2.005 2.084) 2.930 5.419 ( -2.924 4.288 -2.253) 5.658 5.540 ( 1.841 5.120 5.056) 7.428 5.645 ( 0.312 -2.098 0.280) 2.140 5.704 ( 2.783 7.716 -3.674) 8.988 5.827 ( 1.147 0.333 -1.903) 2.247 6.048 ( 1.728 2.710 -2.899) 4.329 6.152 ( 7.565 -1.432 5.055) 9.210 6.409 ( -6.190 3.850 8.067) 10.873 6.525 ( -1.483 0.561 -2.291) 2.786 6.660 ( 1.083 -3.200 -4.611) 5.716 6.966 ( 2.782 -3.109 -1.840) 4.560 7.652 ( -0.202 5.010 4.122) 6.491 7.818 ( 2.746 -2.127 0.293) 3.486 7.860 ( -1.631 1.771 2.880) 3.754 7.910 ( 3.706 4.030 -0.830) 5.537 8.130 ( -1.162 -1.107 2.574) 3.033 8.220 ( -0.974 -3.432 -1.217) 3.769 8.368 ( -0.626 -1.459 -2.331) 2.821 8.591 ( -0.110 0.910 0.375) 0.990 8.939 ( -11.974 -1.239 3.403) 12.510 9.119 ( -8.258 3.344 -7.011) 11.337 9.446 ( -4.443 -6.973 -4.328) 9.333 9.787 ( 4.462 1.412 -5.849) 7.491 9.999 ( 8.115 2.302 -1.256) 8.528 10.112 ( -5.916 -1.761 7.305) 9.564 10.577 ( 4.866 -0.185 -3.713) 6.124 10.825 ( 0.628 -2.989 0.458) 3.088 10.895 ( -2.260 -6.734 3.114) 7.755 11.001 ( -3.505 -3.639 -3.267) 6.017 11.092 ( -0.695 0.511 2.755) 2.886 11.537 ( 1.889 -0.914 4.195) 4.691 11.743 ( 0.476 2.802 -3.286) 4.344 11.954 ( -1.642 4.185 0.097) 4.496 12.001 ( -6.236 2.029 2.132) 6.896 12.198 ( 10.270 2.035 -3.076) 10.912 12.344 ( -7.250 0.040 2.841) 7.787 12.576 ( -2.501 1.343 -8.058) 8.543 12.921 ( 7.704 2.332 -3.116) 8.631 13.081 ( -0.300 7.957 10.912) 13.508 13.296 ( -7.245 11.423 -11.062) 17.474 13.429 ( -3.850 -2.463 -5.899) 7.462 13.734 ( 0.748 -3.585 1.582) 3.990 13.751 ( -0.974 -1.212 -0.178) 1.565 14.107 ( 5.933 -6.830 4.981) 10.327 14.417 ( -0.308 0.253 0.982) 1.059 14.765 ( -12.066 -3.333 -0.922) 12.552 15.321 ( -10.831 -14.574 -0.097) 18.158 17.056 ( 13.294 8.998 5.668) 17.024 17.680 ( 15.690 14.005 6.063) 21.888 18.210 ( -2.392 -2.565 8.117) 8.843 18.272 ( 5.662 -2.227 -3.518) 7.028 21.069 ( -4.021 0.548 3.550) 5.391 21.180 ( 2.989 0.807 -4.580) 5.528 21.678 ( -1.431 4.246 -0.347) 4.494 21.730 ( 0.781 0.747 -2.270) 2.514 21.988 ( -1.844 -2.221 -8.340) 8.825 22.619 ( -9.827 9.158 -4.850) 14.282 22.870 ( -0.040 -2.706 6.764) 7.285 23.051 ( -4.926 -5.651 1.345) 7.616 23.381 ( 2.938 -9.291 3.154) 10.242 23.515 ( -3.543 -5.896 4.628) 8.291 23.830 ( 0.475 1.075 -2.730) 2.972 23.909 ( -2.037 -0.265 -4.132) 4.615 24.056 ( 5.229 -2.366 4.612) 7.363 24.086 ( 3.398 0.970 2.246) 4.187 24.275 ( 1.924 1.189 1.853) 2.924 24.690 ( 7.890 8.058 -5.581) 12.583 ======================= Grid point 261 (124/140) ======================= q-point: ( 0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.718 ( 4.665 -14.193 -10.170) 18.073 1.843 ( 8.549 -11.864 -4.695) 15.358 2.021 ( -5.114 -11.395 -2.195) 12.681 2.093 ( -1.692 -5.901 5.721) 8.392 2.117 ( -0.060 -2.626 8.719) 9.106 2.280 ( 11.386 -5.045 -11.777) 17.140 2.431 ( -2.533 2.041 -1.242) 3.482 2.603 ( -6.211 -3.219 -5.972) 9.198 2.680 ( -1.584 -1.413 -0.915) 2.311 2.832 ( -4.292 -1.141 -0.776) 4.508 2.932 ( -2.925 -6.093 1.951) 7.035 3.017 ( 2.308 -4.493 2.437) 5.608 3.113 ( -2.619 -4.724 1.502) 5.606 3.304 ( 0.040 1.269 0.382) 1.326 3.425 ( 0.173 3.286 6.312) 7.118 3.538 ( 1.808 -0.351 -5.250) 5.564 3.737 ( -1.331 1.185 9.953) 10.111 3.807 ( 8.541 -6.694 -1.583) 10.967 3.895 ( -1.319 -3.624 -7.137) 8.112 3.976 ( -3.276 -6.198 -0.537) 7.031 4.101 ( -6.093 0.394 -2.227) 6.499 4.307 ( 5.094 -7.945 4.110) 10.294 4.378 ( 2.800 1.225 -6.384) 7.078 4.494 ( -5.090 3.789 2.468) 6.808 4.670 ( -2.078 2.187 -0.181) 3.022 4.907 ( 5.868 5.389 4.010) 8.920 5.079 ( -7.672 3.599 0.528) 8.490 5.168 ( 5.573 -2.739 1.460) 6.378 5.315 ( -2.963 1.599 -2.213) 4.029 5.448 ( 4.626 -2.255 -1.361) 5.323 5.473 ( -0.243 1.899 1.287) 2.307 5.633 ( 1.614 1.220 4.263) 4.718 5.695 ( 2.066 -0.136 -0.869) 2.245 5.830 ( -2.325 -0.566 1.115) 2.640 5.962 ( 1.622 6.892 -2.991) 7.686 6.234 ( 2.393 1.080 4.424) 5.144 6.337 ( -2.109 2.142 4.882) 5.733 6.504 ( -0.399 -1.028 -2.388) 2.630 6.674 ( 0.982 0.646 -3.072) 3.289 7.000 ( -0.572 -0.581 -1.089) 1.361 7.590 ( -1.151 3.060 3.335) 4.670 7.773 ( -2.811 4.592 -1.016) 5.479 7.834 ( 3.616 7.012 -0.468) 7.903 7.891 ( 3.775 -1.211 0.689) 4.024 8.084 ( -2.245 4.218 2.809) 5.543 8.288 ( -2.277 -3.483 -0.057) 4.161 8.392 ( 1.540 -3.121 -0.762) 3.563 8.534 ( -3.511 3.633 -0.450) 5.073 8.976 ( -0.347 -2.871 -8.312) 8.801 9.053 ( -3.642 -5.947 10.359) 12.487 9.509 ( -7.929 -7.795 -5.156) 12.256 9.738 ( 7.600 6.109 -4.242) 10.634 9.972 ( 7.608 7.242 -1.542) 10.617 10.165 ( -11.375 -8.842 2.358) 14.599 10.621 ( 5.844 -1.268 -1.718) 6.222 10.838 ( -3.473 1.172 3.807) 5.285 11.019 ( 1.362 -5.194 -4.546) 7.036 11.036 ( -2.519 -6.893 -0.271) 7.343 11.116 ( 1.577 -1.358 4.784) 5.217 11.580 ( -0.949 -1.629 3.782) 4.226 11.660 ( 2.029 4.676 -7.439) 9.018 11.854 ( -1.820 6.049 0.834) 6.372 11.953 ( -0.353 1.914 2.480) 3.153 12.197 ( 4.146 2.235 -2.121) 5.165 12.378 ( -7.162 -6.586 3.782) 10.439 12.527 ( -1.697 -1.596 -5.643) 6.105 12.918 ( -0.524 11.508 -0.402) 11.527 12.926 ( 2.649 1.528 -0.971) 3.209 13.101 ( -2.065 4.921 0.831) 5.402 13.383 ( -0.025 1.562 -6.753) 6.931 13.771 ( 2.112 -0.338 0.772) 2.274 13.810 ( 1.603 -3.388 1.062) 3.896 14.265 ( 1.002 -4.403 4.627) 6.466 14.428 ( -1.238 -0.888 0.624) 1.647 14.756 ( -4.666 -4.510 -0.184) 6.492 15.451 ( -11.916 -11.399 -0.401) 16.495 17.009 ( 12.690 10.696 3.723) 17.009 17.550 ( 6.273 12.788 2.141) 14.404 18.265 ( -2.665 -1.773 7.172) 7.854 18.315 ( 3.862 -0.894 -4.284) 5.837 21.031 ( -1.876 1.874 1.381) 2.990 21.175 ( 1.208 -0.160 -2.892) 3.138 21.622 ( -0.463 1.212 -0.973) 1.622 21.747 ( 1.340 -1.155 0.619) 1.874 21.986 ( -1.130 -3.119 -6.169) 7.004 22.383 ( -10.890 5.542 -5.958) 13.594 22.945 ( 4.079 -0.398 7.073) 8.175 23.125 ( -1.399 -4.769 1.063) 5.082 23.564 ( 1.294 -8.167 2.015) 8.511 23.617 ( -0.215 -5.496 5.460) 7.750 23.804 ( 0.163 0.967 -1.979) 2.209 23.875 ( -2.053 0.409 -3.538) 4.111 24.086 ( 3.088 2.687 0.176) 4.097 24.129 ( 0.866 -0.951 3.435) 3.668 24.278 ( 1.738 0.811 1.434) 2.395 24.569 ( 3.349 8.122 -4.512) 9.876 ======================= Grid point 262 (125/140) ======================= q-point: ( 0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.892 ( 4.110 -4.590 -3.626) 7.149 1.987 ( 6.850 -3.157 -4.148) 8.608 2.064 ( -1.379 1.785 2.192) 3.145 2.170 ( -5.961 -2.237 4.272) 7.667 2.277 ( -0.895 -10.120 3.528) 10.754 2.331 ( 3.273 2.872 0.766) 4.421 2.432 ( 6.421 -3.070 -0.270) 7.122 2.594 ( -5.141 -4.142 -4.616) 8.055 2.746 ( 3.326 -5.263 -0.100) 6.226 2.779 ( -4.748 2.707 0.272) 5.473 2.946 ( 0.384 2.730 4.964) 5.678 3.085 ( -3.610 -5.260 -3.288) 7.177 3.165 ( -4.759 -4.171 -4.361) 7.685 3.312 ( 0.919 -1.208 0.618) 1.638 3.394 ( 3.536 5.965 3.562) 7.795 3.556 ( 3.680 -0.550 -1.425) 3.985 3.737 ( -0.714 1.698 7.053) 7.289 3.817 ( -8.289 -0.223 -5.733) 10.081 3.934 ( -0.198 -2.294 -4.887) 5.402 4.032 ( -1.603 -1.967 -2.909) 3.860 4.143 ( 3.290 -2.736 1.066) 4.410 4.322 ( -7.921 1.936 -2.600) 8.559 4.452 ( 6.401 -4.192 -6.271) 9.893 4.456 ( 0.946 -1.206 5.160) 5.383 4.637 ( 0.697 -0.129 3.189) 3.267 4.911 ( 3.429 6.860 7.216) 10.531 5.004 ( -3.007 -3.341 2.194) 5.002 5.224 ( 7.016 3.244 -0.962) 7.789 5.270 ( -3.304 -1.793 -1.232) 3.956 5.420 ( 3.485 0.762 -5.187) 6.295 5.549 ( 1.522 -2.180 0.176) 2.664 5.630 ( -2.364 2.537 -1.234) 3.681 5.705 ( 2.466 0.982 4.825) 5.506 5.802 ( -6.871 0.435 4.449) 8.197 5.872 ( 4.761 2.986 -4.074) 6.941 6.204 ( -4.046 1.195 2.358) 4.833 6.352 ( 3.235 0.979 1.322) 3.629 6.513 ( 1.202 0.388 -2.688) 2.970 6.641 ( -1.852 0.766 1.367) 2.426 6.963 ( -4.258 0.886 -4.824) 6.495 7.579 ( -0.010 -0.707 1.778) 1.914 7.698 ( -1.732 0.256 -1.726) 2.458 7.752 ( 4.042 5.272 0.071) 6.644 7.912 ( 0.220 1.627 1.978) 2.570 8.045 ( 3.365 1.298 1.729) 4.000 8.307 ( -2.126 -2.097 1.211) 3.223 8.438 ( -5.680 3.257 0.277) 6.553 8.475 ( 1.395 -4.252 -0.889) 4.563 8.986 ( 6.473 -1.683 -4.906) 8.295 9.239 ( 1.477 -6.093 12.512) 13.995 9.517 ( -8.466 -2.462 -2.531) 9.173 9.700 ( 5.804 0.442 -4.744) 7.509 9.878 ( 3.508 7.881 -2.008) 8.857 10.209 ( -11.001 -6.201 -4.144) 13.291 10.664 ( 3.509 0.883 1.046) 3.766 10.817 ( -2.001 -0.595 3.269) 3.879 11.023 ( -0.543 1.514 -3.175) 3.559 11.107 ( -3.401 -3.090 0.460) 4.618 11.242 ( 6.918 -4.298 3.241) 8.765 11.559 ( 1.483 5.387 -5.040) 7.525 11.619 ( -0.219 -1.608 4.500) 4.784 11.782 ( -2.448 -1.349 -1.397) 3.124 11.934 ( 3.197 3.254 1.592) 4.832 12.173 ( -0.724 1.395 -0.840) 1.782 12.455 ( -5.578 -6.378 0.709) 8.502 12.549 ( -1.852 -4.892 -3.112) 6.086 12.748 ( 0.446 7.242 -1.027) 7.328 12.883 ( -5.206 2.841 2.424) 6.407 13.092 ( 6.907 -0.569 1.831) 7.168 13.344 ( 0.911 -0.754 -5.796) 5.916 13.798 ( 5.743 0.811 -0.214) 5.804 13.876 ( 3.652 -1.254 1.395) 4.105 14.301 ( -4.107 0.269 2.193) 4.664 14.405 ( -6.285 0.406 0.180) 6.300 14.852 ( 6.891 -4.770 1.260) 8.475 15.514 ( -12.532 -7.550 -1.407) 14.698 16.942 ( 11.163 9.229 1.698) 14.583 17.394 ( -1.911 7.999 0.155) 8.226 18.291 ( -1.933 -0.078 4.160) 4.588 18.323 ( 1.771 0.304 -3.342) 3.795 21.015 ( 0.600 -0.003 1.839) 1.935 21.171 ( -0.459 -0.286 -1.687) 1.771 21.614 ( 0.877 -0.059 -0.280) 0.923 21.759 ( -0.844 0.442 -0.738) 1.205 22.019 ( -0.535 -3.482 -1.533) 3.842 22.236 ( -7.874 -0.314 -5.591) 9.662 23.012 ( 6.164 1.045 6.886) 9.301 23.191 ( 1.502 -2.618 0.480) 3.056 23.672 ( 0.948 -3.267 1.382) 3.672 23.732 ( 0.870 -2.621 2.714) 3.872 23.784 ( -0.240 0.232 -0.968) 1.024 23.836 ( -2.694 -0.851 -1.930) 3.421 24.038 ( 2.670 5.208 0.183) 5.855 24.145 ( -1.103 -0.055 0.988) 1.482 24.292 ( 0.701 -0.420 0.306) 0.872 24.447 ( -0.822 4.867 -3.051) 5.802 ======================= Grid point 263 (126/140) ======================= q-point: (-0.33 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.877 ( 2.001 6.307 -1.260) 6.736 1.989 ( 0.466 8.133 2.065) 8.404 2.042 ( 3.252 1.351 -6.881) 7.730 2.089 ( -11.518 4.358 8.567) 15.002 2.328 ( 2.849 2.387 5.813) 6.900 2.404 ( 4.601 -1.654 1.502) 5.115 2.571 ( 5.380 -6.572 2.242) 8.785 2.623 ( 0.855 -2.380 0.877) 2.677 2.694 ( -5.337 2.591 0.830) 5.991 2.868 ( 6.392 -3.363 0.509) 7.240 2.950 ( -0.500 -0.361 3.143) 3.203 3.100 ( -2.867 -2.076 -4.613) 5.814 3.181 ( -0.668 -2.190 -6.841) 7.214 3.294 ( -0.733 4.116 -1.868) 4.579 3.333 ( 1.839 2.943 3.540) 4.958 3.564 ( -0.771 2.267 0.474) 2.441 3.708 ( -4.705 3.212 -5.388) 7.841 3.722 ( 0.750 4.470 5.089) 6.815 3.922 ( -3.324 -1.298 -5.292) 6.382 3.968 ( -7.111 2.495 -4.986) 9.036 4.168 ( 4.510 3.175 -0.162) 5.518 4.251 ( -3.960 -1.177 1.414) 4.366 4.473 ( -0.766 2.106 6.123) 6.520 4.527 ( 2.948 -4.269 -8.537) 9.990 4.704 ( 2.924 -1.268 5.823) 6.639 4.853 ( 3.122 4.974 4.054) 7.136 5.092 ( 0.272 -3.605 4.683) 5.916 5.200 ( 2.726 -0.593 -6.011) 6.627 5.311 ( 3.363 -1.760 3.054) 4.871 5.421 ( 2.874 -0.000 -4.107) 5.013 5.530 ( -2.603 3.808 1.449) 4.835 5.560 ( -3.686 0.236 -5.384) 6.529 5.682 ( 0.530 2.367 2.019) 3.156 5.825 ( -3.746 -3.497 0.558) 5.155 5.883 ( 4.179 0.688 4.947) 6.512 6.160 ( -4.027 1.330 -2.464) 4.905 6.351 ( 2.884 1.080 -0.055) 3.080 6.480 ( -1.177 -0.126 -4.856) 4.998 6.665 ( -1.324 -2.031 7.270) 7.664 6.887 ( -4.427 -0.389 -7.677) 8.870 7.613 ( 2.800 -0.720 1.015) 3.064 7.720 ( -0.496 -3.892 -1.696) 4.275 7.743 ( 2.741 -1.045 0.834) 3.049 7.879 ( -2.564 1.864 1.801) 3.646 8.095 ( 5.790 -1.977 -0.703) 6.159 8.310 ( -7.329 0.634 0.596) 7.381 8.388 ( 2.211 -0.506 2.789) 3.595 8.525 ( -0.931 -2.145 -1.201) 2.629 9.090 ( 11.301 -4.578 -3.644) 12.726 9.345 ( 7.648 3.957 10.892) 13.884 9.466 ( -12.128 -2.896 1.286) 12.535 9.734 ( -2.710 5.672 -3.746) 7.317 9.785 ( 5.167 -3.349 0.315) 6.166 10.164 ( -8.794 -1.751 -9.146) 12.808 10.664 ( 2.135 2.903 5.339) 6.442 10.842 ( -2.016 -1.067 0.420) 2.320 10.975 ( 1.071 1.079 -3.088) 3.442 11.100 ( -2.653 0.444 -0.477) 2.732 11.295 ( 4.323 5.182 4.729) 8.241 11.455 ( -1.108 4.596 -4.514) 6.537 11.705 ( 2.256 -4.926 3.337) 6.364 11.841 ( -3.193 -5.353 -0.657) 6.268 11.925 ( 6.926 0.373 0.475) 6.953 12.134 ( -3.847 0.807 0.309) 3.943 12.486 ( 1.330 -0.303 -3.780) 4.019 12.617 ( -7.351 -7.087 -0.536) 10.225 12.686 ( 1.713 1.535 2.971) 3.757 12.823 ( -3.697 -0.513 -0.825) 3.822 13.216 ( 6.161 -5.490 6.194) 10.318 13.377 ( 1.937 -4.907 -5.026) 7.286 13.827 ( 9.119 2.051 -1.525) 9.471 13.919 ( 4.739 0.697 1.676) 5.074 14.220 ( -5.467 5.119 -0.577) 7.512 14.339 ( -8.849 0.665 0.661) 8.899 15.002 ( 12.798 -2.729 2.024) 13.241 15.498 ( -12.975 -3.234 -2.475) 13.599 16.901 ( 10.077 5.567 0.136) 11.513 17.259 ( -9.367 3.058 -0.767) 9.884 18.277 ( 1.040 1.954 -1.680) 2.779 18.301 ( -2.036 1.535 1.059) 2.761 21.056 ( 2.528 -1.942 2.103) 3.819 21.163 ( -1.682 -0.468 -0.409) 1.793 21.625 ( 1.485 -0.166 -0.068) 1.495 21.720 ( -2.413 1.325 -1.628) 3.198 22.063 ( -0.556 -1.946 3.711) 4.227 22.227 ( -4.839 -6.983 -7.033) 11.029 23.062 ( 6.128 2.765 7.228) 9.871 23.231 ( 3.537 0.036 -2.901) 4.575 23.688 ( 2.343 6.268 -0.818) 6.741 23.704 ( 3.219 1.765 0.669) 3.731 23.786 ( -1.316 -1.024 0.707) 1.811 23.877 ( -5.969 -5.097 -0.102) 7.850 23.992 ( 2.812 2.545 2.736) 4.677 24.122 ( -1.317 1.811 -1.263) 2.571 24.283 ( 0.818 1.864 -0.541) 2.106 24.389 ( -4.626 -1.870 -1.573) 5.232 ======================= Grid point 264 (127/140) ======================= q-point: (-0.22 0.11 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 3.628 10.781 -2.609) 11.670 1.797 ( -5.548 12.385 5.012) 14.467 1.927 ( 3.046 7.748 -7.345) 11.102 1.977 ( -9.359 7.095 6.279) 13.317 2.348 ( 8.064 3.994 8.381) 12.297 2.447 ( 5.118 2.350 4.002) 6.909 2.583 ( -5.768 5.331 -0.641) 7.881 2.628 ( -2.772 -0.667 -7.412) 7.941 2.770 ( 8.493 -2.545 12.514) 15.336 2.905 ( 2.809 3.455 -1.940) 4.857 2.953 ( 1.885 3.176 2.106) 4.252 3.079 ( -0.028 1.988 0.451) 2.039 3.109 ( 1.370 5.281 -6.166) 8.233 3.146 ( -11.079 7.594 -4.249) 14.088 3.386 ( 1.460 -3.333 4.861) 6.072 3.469 ( -3.601 1.156 -2.939) 4.789 3.638 ( 2.312 3.368 -1.920) 4.514 3.664 ( 2.971 3.613 -4.195) 6.283 3.858 ( -2.876 0.216 1.445) 3.226 3.920 ( -5.838 -3.686 -4.681) 8.342 4.143 ( 4.362 3.532 0.097) 5.614 4.216 ( -6.331 2.852 0.938) 7.007 4.510 ( 5.788 -1.963 4.715) 7.719 4.574 ( 1.636 -3.004 -3.641) 4.996 4.742 ( -1.820 0.063 3.369) 3.830 4.784 ( -0.703 5.039 -1.396) 5.275 5.181 ( 3.647 -3.728 3.730) 6.412 5.247 ( 0.954 -4.621 -3.265) 5.738 5.375 ( 1.328 1.522 6.255) 6.574 5.437 ( 3.286 -2.859 -1.139) 4.502 5.451 ( 0.450 3.040 -5.025) 5.891 5.514 ( -5.031 -2.225 -2.873) 6.206 5.695 ( 4.590 -0.249 0.492) 4.623 5.799 ( -8.120 1.003 2.080) 8.442 5.941 ( 3.394 -0.773 4.509) 5.696 6.062 ( -4.546 3.100 -5.165) 7.546 6.398 ( 4.819 -3.015 -1.066) 5.784 6.471 ( -3.986 -2.363 -1.729) 4.946 6.745 ( 1.430 -2.945 7.593) 8.269 6.850 ( -3.074 -2.430 -6.965) 7.991 7.659 ( 5.596 -0.748 0.294) 5.653 7.749 ( -4.311 -1.890 -1.586) 4.967 7.814 ( 1.097 -2.965 1.452) 3.479 7.842 ( -1.138 0.494 -0.116) 1.246 8.165 ( 5.581 -1.366 -2.669) 6.335 8.238 ( -6.782 1.295 2.342) 7.291 8.449 ( 4.076 -1.094 2.812) 5.072 8.528 ( -2.887 -1.026 -1.812) 3.559 9.228 ( 14.524 -0.681 -3.891) 15.052 9.401 ( 8.949 -0.404 4.848) 10.185 9.437 ( -13.225 -1.809 5.528) 14.447 9.599 ( -6.692 0.819 -3.011) 7.383 9.898 ( 3.531 -2.186 7.108) 8.233 10.067 ( -5.017 0.680 -11.806) 12.846 10.661 ( 2.450 2.919 7.469) 8.385 10.781 ( -4.542 2.595 -5.707) 7.742 10.997 ( 3.865 0.024 1.545) 4.162 11.061 ( -1.074 2.021 -1.698) 2.850 11.244 ( 3.010 5.113 5.159) 7.863 11.346 ( -3.954 2.986 -5.736) 7.580 11.790 ( 3.757 -0.952 0.080) 3.877 11.853 ( -4.397 -1.851 1.238) 4.929 12.044 ( 5.645 -4.956 -1.479) 7.656 12.104 ( -4.186 -0.557 2.358) 4.837 12.499 ( 7.305 -0.668 -1.771) 7.546 12.631 ( -9.666 -4.024 -1.563) 10.586 12.745 ( 0.794 -2.615 9.384) 9.774 12.839 ( -0.297 -4.572 -8.386) 9.556 13.401 ( 1.793 -7.291 9.680) 12.251 13.478 ( 1.622 -7.808 -5.986) 9.971 13.857 ( 9.708 2.317 -0.576) 9.997 13.945 ( 2.423 0.574 0.644) 2.572 14.076 ( 2.706 8.018 -0.460) 8.475 14.251 ( -12.405 0.277 -0.418) 12.415 15.144 ( 15.505 0.213 2.617) 15.726 15.403 ( -13.634 0.925 -2.795) 13.948 16.915 ( 11.567 2.110 -1.172) 11.817 17.133 ( -15.927 0.427 -0.644) 15.946 18.233 ( 3.230 3.208 -4.718) 6.556 18.250 ( -4.315 2.975 3.822) 6.486 21.117 ( 3.951 -1.402 -1.017) 4.313 21.157 ( -3.191 -0.368 2.249) 3.922 21.647 ( 1.784 -1.537 0.145) 2.359 21.689 ( -2.627 -1.210 -0.806) 3.002 22.137 ( 2.680 -3.235 7.308) 8.429 22.278 ( -5.575 -7.142 -8.716) 12.572 23.075 ( 4.165 4.555 7.507) 9.719 23.187 ( 0.254 4.189 -7.972) 9.009 23.602 ( 6.359 7.816 1.355) 10.167 23.684 ( 0.482 4.533 -1.607) 4.833 23.801 ( 2.114 -1.733 2.560) 3.745 23.897 ( -6.232 -3.857 -0.313) 7.336 24.006 ( 2.641 0.888 2.112) 3.497 24.058 ( -2.073 2.793 -1.174) 3.671 24.282 ( 3.135 -0.372 1.946) 3.708 24.391 ( -7.548 -4.177 -2.451) 8.968 ======================= Grid point 265 (128/140) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.573 ( -0.829 11.795 -5.827) 13.182 1.573 ( 0.829 11.795 5.827) 13.182 1.792 ( 11.257 8.744 -14.382) 20.249 1.792 ( -11.257 8.744 14.382) 20.249 2.348 ( -9.933 10.068 -6.060) 15.387 2.348 ( 9.933 10.068 6.060) 15.387 2.492 ( -7.147 6.160 -19.121) 21.322 2.492 ( 7.147 6.160 19.121) 21.322 2.757 ( -5.935 12.152 -1.721) 13.633 2.757 ( 5.935 12.152 1.721) 13.633 2.972 ( -1.548 -0.938 -9.309) 9.483 2.972 ( 1.548 -0.938 9.309) 9.483 3.051 ( -2.091 0.733 -1.912) 2.927 3.051 ( 2.091 0.733 1.912) 2.927 3.468 ( 1.313 -2.728 -6.572) 7.236 3.468 ( -1.313 -2.728 6.572) 7.236 3.623 ( 0.105 -0.069 -3.976) 3.978 3.623 ( -0.105 -0.069 3.976) 3.978 3.916 ( -4.259 -2.515 -4.463) 6.662 3.916 ( 4.259 -2.515 4.463) 6.662 4.124 ( -5.760 1.845 -0.632) 6.081 4.124 ( 5.760 1.845 0.632) 6.081 4.589 ( -3.274 1.162 -7.528) 8.291 4.589 ( 3.274 1.162 7.528) 8.291 4.736 ( -3.297 -2.043 -0.376) 3.897 4.736 ( 3.297 -2.043 0.376) 3.897 5.261 ( -1.987 1.803 -4.159) 4.949 5.261 ( 1.987 1.803 4.159) 4.949 5.379 ( 0.035 0.417 -9.121) 9.131 5.379 ( -0.035 0.417 9.121) 9.131 5.572 ( 0.888 -9.259 -2.779) 9.707 5.572 ( -0.888 -9.259 2.779) 9.707 5.728 ( -1.908 1.329 -0.533) 2.386 5.728 ( 1.908 1.329 0.533) 2.386 6.013 ( 0.145 -3.957 -4.422) 5.936 6.013 ( -0.145 -3.957 4.422) 5.936 6.463 ( 5.578 -0.375 -7.720) 9.531 6.463 ( -5.578 -0.375 7.720) 9.531 6.828 ( -3.652 -0.177 -4.170) 5.546 6.828 ( 3.652 -0.177 4.170) 5.546 7.708 ( 1.191 0.858 -4.918) 5.132 7.708 ( -1.191 0.858 4.918) 5.132 7.849 ( 3.119 -1.083 -3.783) 5.021 7.849 ( -3.119 -1.083 3.783) 5.021 8.183 ( 1.546 2.113 -0.644) 2.696 8.183 ( -1.546 2.113 0.644) 2.696 8.501 ( -3.591 0.144 -2.680) 4.483 8.501 ( 3.591 0.144 2.680) 4.483 9.328 ( -10.489 -1.100 -1.971) 10.729 9.328 ( 10.489 -1.100 1.971) 10.729 9.580 ( -10.175 -5.558 -1.792) 11.732 9.580 ( 10.175 -5.558 1.792) 11.732 9.964 ( 1.112 1.974 -14.456) 14.632 9.964 ( -1.112 1.974 14.456) 14.632 10.675 ( -2.350 2.299 -8.093) 8.735 10.675 ( 2.350 2.299 8.093) 8.735 10.996 ( -0.072 3.400 -3.030) 4.555 10.996 ( 0.072 3.400 3.030) 4.555 11.254 ( -4.939 0.592 -5.614) 7.501 11.254 ( 4.939 0.592 5.614) 7.501 11.844 ( 2.325 -1.855 -4.287) 5.218 11.844 ( -2.325 -1.855 4.287) 5.218 12.107 ( 2.928 -0.560 -4.700) 5.565 12.107 ( -2.928 -0.560 4.700) 5.565 12.616 ( -9.447 -4.221 -1.973) 10.534 12.616 ( 9.447 -4.221 1.973) 10.534 12.849 ( -1.196 -2.535 -11.113) 11.461 12.849 ( 1.196 -2.535 11.113) 11.461 13.547 ( -2.424 -3.245 -6.382) 7.559 13.547 ( 2.424 -3.245 6.382) 7.559 13.873 ( -2.422 3.389 -3.979) 5.761 13.873 ( 2.422 3.389 3.979) 5.761 14.154 ( -16.898 -4.879 -4.492) 18.152 14.154 ( 16.898 -4.879 4.492) 18.152 15.235 ( -7.638 4.902 -6.916) 11.411 15.235 ( 7.638 4.902 6.916) 11.411 17.000 ( 0.541 -0.070 -10.415) 10.429 17.000 ( -0.541 -0.070 10.415) 10.429 18.181 ( 5.658 3.489 -7.514) 10.032 18.181 ( -5.658 3.489 7.514) 10.032 21.141 ( 4.403 0.658 -3.433) 5.622 21.141 ( -4.403 0.658 3.433) 5.622 21.722 ( -1.031 -5.212 -1.962) 5.664 21.722 ( 1.031 -5.212 1.962) 5.664 22.280 ( -6.598 -4.047 -11.257) 13.661 22.280 ( 6.598 -4.047 11.257) 13.661 23.050 ( -2.772 5.422 -7.145) 9.388 23.050 ( 2.772 5.422 7.145) 9.388 23.527 ( -6.416 8.317 -2.640) 10.831 23.527 ( 6.416 8.317 2.640) 10.831 23.896 ( -5.937 -1.883 -2.869) 6.858 23.896 ( 5.937 -1.883 2.869) 6.858 24.013 ( -0.566 0.452 -0.951) 1.195 24.013 ( 0.566 0.452 0.951) 1.195 24.378 ( -9.594 -3.739 -3.746) 10.957 24.378 ( 9.594 -3.739 3.746) 10.957 ======================= Grid point 269 (129/140) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.767 ( 0.221 0.000 -13.297) 13.299 1.182 ( 1.727 0.000 -26.174) 26.231 1.506 ( -9.376 -0.000 -7.365) 11.923 1.828 ( 4.940 0.000 15.550) 16.316 1.961 ( 7.567 0.000 5.629) 9.431 2.153 ( 22.451 0.000 -16.460) 27.838 2.219 ( -2.483 -0.000 -8.044) 8.418 2.499 ( -2.903 -0.000 11.266) 11.634 2.672 ( -7.969 -0.000 -11.422) 13.927 2.701 ( 7.351 0.000 -5.662) 9.279 2.761 ( -5.898 -0.000 -3.988) 7.119 2.992 ( -3.857 -0.000 7.990) 8.872 3.059 ( -1.226 -0.000 8.222) 8.313 3.245 ( 5.092 0.000 -1.758) 5.388 3.340 ( 1.654 0.000 -8.139) 8.306 3.477 ( -0.868 -0.000 0.481) 0.993 3.768 ( -0.185 -0.000 0.530) 0.562 3.776 ( 0.537 0.000 3.877) 3.914 3.787 ( -4.149 -0.000 1.108) 4.294 3.851 ( 1.032 0.000 7.261) 7.334 4.023 ( -12.511 -0.000 -1.500) 12.601 4.281 ( -0.123 -0.000 3.496) 3.498 4.476 ( 3.241 0.000 -2.437) 4.055 4.653 ( 2.932 0.000 -7.789) 8.323 4.729 ( -5.688 -0.000 4.774) 7.426 4.898 ( 2.547 0.000 10.182) 10.496 5.141 ( -4.964 -0.000 4.950) 7.010 5.144 ( 7.211 0.000 -1.563) 7.378 5.356 ( 1.128 0.000 1.108) 1.581 5.552 ( -1.845 -0.000 1.277) 2.243 5.645 ( -2.321 -0.000 7.406) 7.761 5.751 ( -0.324 -0.000 -2.702) 2.721 5.796 ( -11.701 -0.000 -11.928) 16.709 5.945 ( 7.536 0.000 -5.515) 9.339 6.060 ( 2.115 0.000 -6.973) 7.287 6.118 ( 13.342 0.000 5.629) 14.481 6.398 ( -9.368 -0.000 9.919) 13.644 6.459 ( 3.410 0.000 -9.038) 9.660 6.638 ( -6.932 -0.000 7.196) 9.992 6.829 ( 11.463 0.000 -11.320) 16.110 7.723 ( 4.546 0.000 1.397) 4.756 7.799 ( 1.606 0.000 6.326) 6.527 7.860 ( -0.671 -0.000 5.385) 5.426 7.931 ( 4.109 0.000 -2.162) 4.643 8.054 ( 1.472 0.000 0.530) 1.564 8.174 ( -1.834 -0.000 -1.756) 2.540 8.345 ( -3.671 -0.000 -1.057) 3.820 8.577 ( 1.094 0.000 -0.222) 1.116 9.081 ( -21.108 -0.000 8.711) 22.835 9.113 ( -7.715 -0.000 -8.418) 11.419 9.396 ( -6.871 -0.000 -7.319) 10.039 9.586 ( -6.250 -0.000 -12.123) 13.639 10.069 ( 2.190 0.000 5.642) 6.052 10.184 ( 10.756 0.000 1.632) 10.879 10.585 ( 4.745 0.000 -4.895) 6.817 10.723 ( 1.320 0.000 0.659) 1.475 10.806 ( -2.829 -0.000 2.306) 3.650 10.918 ( -4.730 -0.000 0.653) 4.775 11.101 ( -2.814 -0.000 0.308) 2.831 11.491 ( -2.845 -0.000 -4.036) 4.938 11.852 ( -1.205 -0.000 10.387) 10.457 11.897 ( -1.890 -0.000 -1.922) 2.696 12.087 ( -3.192 -0.000 4.434) 5.464 12.185 ( 2.343 0.000 2.549) 3.462 12.601 ( 0.085 0.000 -5.290) 5.291 12.745 ( 7.490 0.000 -16.152) 17.805 12.925 ( -0.057 -0.000 4.554) 4.555 12.977 ( 7.048 0.000 -4.529) 8.378 13.323 ( -5.712 -0.000 10.055) 11.564 13.624 ( -6.136 -0.000 -7.773) 9.903 13.663 ( 1.516 0.000 -8.222) 8.361 13.760 ( 0.477 0.000 4.447) 4.473 13.983 ( 1.315 0.000 -1.049) 1.682 14.440 ( -5.401 -0.000 0.160) 5.403 14.774 ( -6.607 -0.000 -2.153) 6.949 14.856 ( -15.274 -0.000 1.316) 15.331 17.237 ( 17.063 0.000 6.492) 18.256 18.031 ( 18.665 0.000 19.674) 27.119 18.156 ( -2.076 -0.000 9.262) 9.492 18.194 ( 8.406 0.000 -7.395) 11.196 21.056 ( -3.379 -0.000 4.581) 5.693 21.205 ( 3.244 0.000 -2.705) 4.224 21.797 ( -1.250 -0.000 -3.305) 3.534 21.802 ( -5.844 -0.000 -4.104) 7.141 21.944 ( -1.726 -0.000 -4.782) 5.084 22.653 ( -22.571 -0.000 -13.950) 26.534 22.899 ( 0.425 0.000 3.645) 3.670 22.972 ( 0.332 0.000 3.032) 3.051 23.190 ( 5.210 0.000 4.212) 6.700 23.365 ( -2.998 -0.000 11.575) 11.957 23.835 ( -1.132 -0.000 -7.695) 7.778 23.898 ( -2.392 -0.000 -5.079) 5.614 24.048 ( 11.642 0.000 12.045) 16.752 24.094 ( 2.194 0.000 3.352) 4.006 24.301 ( 3.098 0.000 3.880) 4.965 24.847 ( 10.416 0.000 -9.195) 13.894 ======================= Grid point 270 (130/140) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 1.649 -27.591 -6.101) 28.306 1.225 ( 10.026 -11.262 -15.335) 21.506 1.531 ( -7.721 -13.976 -8.383) 18.033 1.961 ( 6.841 -2.444 12.170) 14.173 2.073 ( 5.426 -2.751 2.055) 6.422 2.173 ( 10.281 -1.727 -7.944) 13.107 2.266 ( 1.550 -4.671 -8.298) 9.647 2.514 ( -7.457 -0.705 -9.955) 12.458 2.621 ( -1.418 -6.127 7.332) 9.660 2.692 ( -5.075 -0.763 -5.072) 7.215 2.790 ( 2.357 -3.196 -3.582) 5.348 2.916 ( -3.041 4.129 3.002) 5.942 3.106 ( 0.080 -1.643 7.784) 7.956 3.268 ( 2.627 0.141 -2.305) 3.498 3.396 ( 6.831 -5.793 -6.665) 11.164 3.504 ( -2.498 -3.673 0.235) 4.448 3.657 ( -5.310 3.662 -1.185) 6.558 3.799 ( -2.961 -0.076 0.100) 2.964 3.818 ( 0.660 0.490 5.215) 5.279 3.900 ( -1.209 -1.696 5.649) 6.021 3.989 ( -3.992 -4.538 1.098) 6.143 4.233 ( -0.630 4.690 0.743) 4.790 4.496 ( 1.833 -0.876 -2.135) 2.947 4.616 ( -1.902 5.748 -0.456) 6.072 4.679 ( -1.663 -1.259 -0.751) 2.217 4.981 ( -3.708 -2.719 4.250) 6.261 5.146 ( -2.555 0.868 5.274) 5.924 5.188 ( 10.949 2.907 -0.385) 11.335 5.333 ( -0.433 2.008 3.554) 4.105 5.482 ( -3.040 6.353 -5.921) 9.201 5.602 ( -1.700 -1.123 -1.736) 2.676 5.659 ( 2.223 3.319 7.051) 8.104 5.774 ( -3.466 -0.404 -6.632) 7.493 5.882 ( 3.867 7.509 -2.136) 8.712 6.055 ( 3.569 -0.325 -4.184) 5.509 6.262 ( 11.764 1.007 7.622) 14.053 6.403 ( -5.449 -2.346 4.505) 7.449 6.534 ( 0.035 -7.647 -2.353) 8.001 6.559 ( -6.137 4.155 2.160) 7.719 6.905 ( 6.964 -4.176 -8.425) 11.701 7.767 ( 3.792 3.212 3.614) 6.145 7.816 ( 1.527 0.087 2.937) 3.311 7.871 ( -0.701 -0.054 2.372) 2.474 7.971 ( 4.164 -0.537 -0.360) 4.213 8.104 ( 2.606 -2.876 2.045) 4.387 8.162 ( -3.338 -2.067 -1.876) 4.351 8.321 ( -2.168 -0.937 -0.856) 2.512 8.589 ( -0.383 -0.703 0.271) 0.845 8.904 ( -13.236 4.613 5.450) 15.039 9.048 ( -8.182 -0.566 -6.279) 10.329 9.294 ( -7.660 -2.047 -6.897) 10.509 9.597 ( -8.557 -11.991 -11.810) 18.880 10.079 ( 2.393 3.982 5.157) 6.941 10.221 ( 8.198 4.687 0.237) 9.446 10.599 ( 4.190 0.006 -2.392) 4.825 10.774 ( 2.856 -3.998 -0.246) 4.920 10.821 ( -1.266 -2.306 3.461) 4.347 10.899 ( -6.324 -2.350 -1.498) 6.911 11.091 ( -2.076 -0.891 2.174) 3.135 11.443 ( -7.238 -3.894 -10.683) 13.479 11.841 ( 3.926 4.699 4.216) 7.434 11.932 ( -2.417 -1.635 8.071) 8.582 12.061 ( -2.471 3.136 3.793) 5.507 12.237 ( 3.587 -1.552 2.627) 4.709 12.494 ( 7.596 15.510 -7.455) 18.811 12.554 ( -1.943 2.064 -7.680) 8.186 12.985 ( 5.343 1.619 -4.904) 7.431 13.149 ( 1.757 -9.911 -0.758) 10.095 13.302 ( -6.759 4.011 6.803) 10.395 13.448 ( -0.962 9.799 -5.268) 11.167 13.656 ( 0.297 -2.880 -6.324) 6.955 13.774 ( 0.745 0.368 4.578) 4.652 14.068 ( 5.426 -5.803 3.215) 8.570 14.402 ( -3.253 -0.277 -0.431) 3.293 14.640 ( -11.063 0.551 -0.146) 11.078 14.957 ( -13.201 -15.984 -0.515) 20.737 17.345 ( 18.285 6.762 5.639) 20.294 18.069 ( 9.588 13.337 9.399) 18.925 18.200 ( -1.653 -1.433 8.962) 9.225 18.268 ( 5.168 -1.711 -0.427) 5.461 21.060 ( -3.540 -0.455 5.506) 6.562 21.200 ( 2.685 1.280 -5.014) 5.830 21.708 ( -3.713 2.678 -4.937) 6.733 21.761 ( 0.094 2.190 -0.517) 2.252 21.900 ( -2.511 -0.324 -6.269) 6.761 22.441 ( -21.535 -4.711 -19.455) 29.401 22.918 ( 2.142 -0.131 6.808) 7.138 23.007 ( 2.522 -0.231 2.884) 3.838 23.311 ( 5.313 -5.359 6.781) 10.146 23.441 ( -2.006 -4.083 10.352) 11.308 23.801 ( -0.477 -1.030 -7.205) 7.294 23.860 ( -2.521 -0.705 -5.257) 5.873 24.113 ( 2.300 1.294 3.845) 4.663 24.159 ( 4.236 0.989 9.009) 10.004 24.349 ( 5.612 2.191 7.771) 9.833 24.826 ( 7.552 5.037 -10.103) 13.582 ======================= Grid point 271 (131/140) ======================= q-point: ( 0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.430 ( 4.624 -21.378 -10.073) 24.080 1.557 ( 9.270 -21.179 2.316) 23.234 1.720 ( -3.372 -17.162 -7.912) 19.196 2.104 ( 7.716 -0.096 2.818) 8.215 2.133 ( 1.232 -2.453 3.997) 4.849 2.243 ( 5.586 -2.034 -5.352) 7.999 2.355 ( -2.110 -8.880 -0.725) 9.155 2.446 ( -6.809 -3.303 -9.660) 12.271 2.647 ( -2.806 -0.429 -1.991) 3.467 2.765 ( -6.137 -0.491 -1.125) 6.258 2.779 ( -2.145 -8.424 4.849) 9.954 2.926 ( 1.623 -3.557 -0.985) 4.032 3.180 ( 3.693 2.100 5.585) 7.018 3.281 ( -1.357 -2.559 0.600) 2.957 3.468 ( 0.481 -0.906 -0.218) 1.049 3.516 ( -2.044 0.684 -1.263) 2.498 3.669 ( 2.922 -10.687 -3.507) 11.621 3.790 ( -0.946 -0.609 -2.147) 2.423 3.831 ( 1.347 0.257 2.538) 2.884 3.913 ( -5.561 0.698 1.992) 5.948 4.036 ( -1.029 -2.819 -0.784) 3.102 4.225 ( 2.785 -2.897 1.258) 4.211 4.468 ( 1.937 5.970 -1.432) 6.438 4.517 ( -3.335 0.895 0.055) 3.454 4.693 ( 0.038 0.174 0.609) 0.634 4.944 ( -6.403 0.340 -3.262) 7.194 5.119 ( -3.875 2.338 3.271) 5.584 5.191 ( 5.887 3.229 6.662) 9.458 5.317 ( -0.959 1.979 -4.677) 5.168 5.444 ( 7.097 -1.334 0.005) 7.222 5.587 ( -0.151 4.576 3.284) 5.634 5.647 ( 1.503 0.343 -0.941) 1.806 5.735 ( 1.623 0.886 1.258) 2.237 5.823 ( -0.099 2.121 1.898) 2.848 6.044 ( 3.475 2.904 -3.947) 6.008 6.339 ( 5.317 3.646 6.100) 8.875 6.402 ( -2.987 3.775 8.143) 9.460 6.457 ( -2.000 -1.690 -2.251) 3.453 6.625 ( -2.260 -4.186 -3.127) 5.693 6.955 ( 0.685 -1.732 -6.855) 7.104 7.687 ( -0.849 6.594 3.654) 7.587 7.821 ( -2.823 3.997 -0.832) 4.963 7.899 ( 4.931 -2.385 1.940) 5.812 7.972 ( 5.274 4.718 -0.568) 7.099 8.148 ( -0.368 2.004 3.570) 4.110 8.200 ( -0.747 -5.469 -0.116) 5.521 8.338 ( -1.251 -2.355 -1.295) 2.965 8.563 ( -3.801 2.908 -1.058) 4.901 8.864 ( -2.090 -5.527 5.468) 8.051 9.005 ( -1.471 -2.496 -0.881) 3.028 9.286 ( -8.492 -7.189 -6.748) 13.013 9.697 ( -8.450 -13.151 -11.019) 19.125 10.027 ( -0.226 5.451 4.467) 7.052 10.163 ( 5.430 7.765 -1.494) 9.592 10.637 ( 4.741 -1.353 -0.687) 4.978 10.844 ( -3.604 0.021 4.232) 5.559 10.897 ( -1.655 -5.641 -2.239) 6.291 10.925 ( 4.413 -7.456 0.147) 8.666 11.114 ( -1.621 -1.379 2.528) 3.304 11.422 ( -9.416 -7.174 -9.374) 15.100 11.797 ( 6.535 6.765 1.050) 9.465 11.960 ( -4.225 3.267 5.651) 7.775 11.997 ( 2.020 3.367 6.403) 7.511 12.284 ( -3.658 -0.173 2.676) 4.536 12.311 ( 10.086 7.483 -7.896) 14.835 12.484 ( -2.318 0.948 -4.194) 4.885 12.968 ( 2.893 1.969 -3.089) 4.668 13.092 ( -4.888 11.317 -4.833) 13.241 13.185 ( -0.947 4.719 7.097) 8.575 13.369 ( 1.644 1.080 -7.194) 7.458 13.724 ( 2.106 -5.657 -0.612) 6.067 13.814 ( 2.861 -1.275 2.877) 4.253 14.221 ( 1.321 -4.741 5.338) 7.261 14.394 ( -3.119 -0.783 -0.196) 3.222 14.626 ( -3.637 -6.730 0.050) 7.650 15.114 ( -14.539 -15.236 -0.958) 21.082 17.344 ( 17.019 12.133 4.796) 21.445 17.876 ( 3.000 18.269 4.445) 19.040 18.253 ( -2.487 -1.643 8.377) 8.891 18.307 ( 3.357 -0.976 -4.063) 5.360 21.054 ( -2.807 1.219 4.588) 5.516 21.170 ( 1.875 0.738 -5.804) 6.143 21.631 ( -1.189 1.484 -2.658) 3.268 21.753 ( 1.221 -0.021 0.801) 1.461 21.880 ( -2.266 -3.382 -6.430) 7.610 22.278 ( -14.603 -1.012 -12.559) 19.288 22.997 ( 1.920 -2.359 8.039) 8.595 23.057 ( 2.548 -2.839 0.237) 3.822 23.477 ( 3.431 -6.174 5.826) 9.157 23.558 ( -0.017 -5.256 8.863) 10.305 23.787 ( -0.640 -0.966 -5.336) 5.460 23.837 ( -1.856 -1.326 -4.681) 5.207 24.119 ( 1.482 1.251 2.190) 2.926 24.182 ( 0.660 1.994 4.657) 5.109 24.366 ( 4.803 4.624 6.636) 9.407 24.707 ( 3.644 8.394 -9.066) 12.881 ======================= Grid point 272 (132/140) ======================= q-point: ( 0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.745 ( 6.594 -14.629 -3.205) 16.363 1.908 ( 2.713 -12.499 -5.516) 13.929 1.985 ( 2.138 -16.391 4.689) 17.182 2.102 ( 4.967 1.928 -7.381) 9.103 2.185 ( -4.010 -1.468 8.924) 9.893 2.368 ( 7.445 -3.233 -0.425) 8.127 2.413 ( -9.272 -6.926 -7.523) 13.803 2.436 ( 2.693 -1.596 2.823) 4.215 2.682 ( 1.226 -5.226 -0.297) 5.376 2.733 ( -6.971 -2.145 0.968) 7.357 2.899 ( -2.387 -6.207 -0.344) 6.659 3.003 ( -6.488 -6.190 -3.139) 9.501 3.128 ( 3.658 6.376 4.342) 8.538 3.290 ( -2.361 0.060 -0.154) 2.367 3.499 ( 0.039 1.932 4.151) 4.579 3.543 ( 5.866 -5.163 -0.606) 7.838 3.715 ( -5.120 3.503 -7.679) 9.871 3.837 ( -0.134 1.303 5.377) 5.534 3.846 ( -7.291 -5.197 -3.738) 9.703 3.911 ( 4.237 -6.850 -2.028) 8.306 4.120 ( 6.517 -4.453 -0.313) 7.899 4.269 ( -2.818 -0.811 -2.143) 3.632 4.431 ( 1.114 -0.711 2.038) 2.429 4.477 ( -0.553 1.615 -1.322) 2.159 4.683 ( 3.016 1.419 2.369) 4.089 4.924 ( -6.003 -3.631 -0.838) 7.065 5.046 ( -0.657 4.012 5.131) 6.546 5.224 ( -2.732 1.503 -2.441) 3.960 5.277 ( 4.022 -1.119 3.241) 5.285 5.468 ( 3.219 1.102 -6.652) 7.472 5.562 ( 6.473 3.731 0.639) 7.499 5.645 ( -0.227 0.721 0.175) 0.776 5.760 ( -1.013 -0.725 6.437) 6.557 5.783 ( -3.074 2.800 1.821) 4.540 5.984 ( 6.908 5.732 -3.086) 9.493 6.231 ( -7.686 5.353 4.329) 10.318 6.420 ( 6.439 1.416 0.505) 6.612 6.519 ( 3.221 -1.355 4.168) 5.439 6.624 ( -4.204 -1.015 -1.796) 4.683 6.902 ( -6.041 0.529 -8.297) 10.277 7.611 ( 0.061 3.448 2.960) 4.544 7.708 ( -3.053 4.264 -2.147) 5.667 7.902 ( 5.408 7.367 -0.485) 9.152 7.960 ( 2.292 1.438 2.213) 3.495 8.126 ( 3.467 2.793 3.592) 5.721 8.255 ( -2.499 -2.646 1.094) 3.800 8.380 ( -1.356 -4.766 -1.439) 5.160 8.456 ( -5.341 3.438 -0.919) 6.418 8.979 ( 7.621 -3.378 -4.371) 9.412 9.163 ( -0.766 -9.787 15.187) 18.083 9.333 ( -3.905 -9.480 -6.680) 12.237 9.766 ( -1.170 -4.333 -9.997) 10.958 9.960 ( -7.259 0.281 1.020) 7.336 10.040 ( 0.437 7.903 -2.255) 8.230 10.698 ( 5.203 -1.348 -0.692) 5.419 10.808 ( -4.847 0.450 3.209) 5.830 10.995 ( -1.145 -4.422 3.241) 5.601 11.066 ( 3.561 -0.460 -2.206) 4.214 11.171 ( 4.029 -9.113 0.596) 9.982 11.459 ( -8.667 -8.822 -3.614) 12.884 11.727 ( 6.101 7.314 -0.686) 9.549 11.831 ( -2.557 8.095 1.449) 8.612 12.017 ( 2.848 2.131 5.196) 6.297 12.195 ( -1.811 3.398 -2.885) 4.812 12.338 ( 1.042 -3.154 -0.180) 3.326 12.458 ( -3.054 -2.059 -2.512) 4.458 12.883 ( -0.350 8.951 -1.691) 9.117 12.919 ( -2.179 3.782 0.319) 4.376 13.151 ( 1.805 1.945 5.357) 5.979 13.314 ( 0.743 0.950 -9.290) 9.368 13.834 ( 6.020 -3.127 0.071) 6.784 13.882 ( 4.001 -2.194 1.775) 4.896 14.275 ( -4.108 -1.049 4.059) 5.869 14.357 ( -6.706 0.217 -0.710) 6.747 14.797 ( 8.059 -9.237 1.686) 12.374 15.226 ( -15.219 -12.214 -1.613) 19.581 17.257 ( 14.478 14.208 3.184) 20.533 17.590 ( -2.914 16.346 0.676) 16.618 18.291 ( -3.275 -0.847 7.634) 8.350 18.320 ( 3.347 -0.398 -5.972) 6.858 21.039 ( -0.049 0.972 3.442) 3.577 21.148 ( -0.372 -0.148 -4.260) 4.278 21.619 ( 1.477 -0.327 -0.076) 1.514 21.753 ( -1.872 0.134 -1.280) 2.271 21.927 ( 0.522 -5.113 -2.012) 5.519 22.143 ( -9.392 0.091 -7.353) 11.928 23.084 ( 3.178 -1.547 6.838) 7.697 23.140 ( 1.862 -4.560 -0.183) 4.929 23.612 ( 1.732 -4.972 3.807) 6.497 23.690 ( 0.908 -5.081 6.516) 8.312 23.769 ( -0.977 -0.314 -3.860) 3.994 23.823 ( -0.753 -0.036 -2.897) 2.993 24.114 ( 1.701 1.590 -0.556) 2.394 24.155 ( -1.692 2.381 2.508) 3.850 24.343 ( 3.556 4.339 3.740) 6.742 24.536 ( -0.424 8.317 -6.633) 10.647 ======================= Grid point 273 (133/140) ======================= q-point: ( 0.67 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.954 ( 5.152 -3.987 0.288) 6.521 2.024 ( -2.312 -3.407 -0.375) 4.134 2.061 ( 6.394 2.573 -5.791) 9.003 2.119 ( -6.136 3.972 4.622) 8.648 2.301 ( 0.353 -9.936 5.701) 11.461 2.405 ( -0.750 -7.953 -7.479) 10.943 2.457 ( 3.223 0.710 2.842) 4.355 2.549 ( -1.556 -4.681 0.809) 4.998 2.748 ( 0.987 -2.549 7.497) 7.980 2.831 ( 5.259 -7.607 0.137) 9.249 2.921 ( -3.981 -0.565 -3.404) 5.268 2.988 ( -6.265 -3.131 -3.850) 7.992 3.141 ( 5.340 -0.748 1.413) 5.574 3.261 ( -5.405 -0.538 -2.866) 6.142 3.465 ( 2.387 4.956 3.438) 6.487 3.574 ( -5.827 3.399 -4.428) 8.070 3.677 ( 6.972 -3.549 -1.840) 8.037 3.809 ( -4.068 -1.237 -0.423) 4.272 3.864 ( -2.818 2.246 7.764) 8.559 3.956 ( -1.268 1.022 -7.194) 7.376 4.214 ( 4.841 -1.318 -2.895) 5.792 4.235 ( -2.693 1.165 2.189) 3.661 4.458 ( 4.015 -1.859 -7.158) 8.415 4.471 ( -5.127 -1.454 5.889) 7.942 4.761 ( 8.238 -2.016 4.644) 9.669 4.904 ( -5.339 -0.179 -0.360) 5.354 5.071 ( 0.549 -2.011 7.121) 7.420 5.162 ( -1.195 -0.308 -7.569) 7.669 5.357 ( 4.109 -0.776 6.564) 7.783 5.452 ( 3.951 0.816 -4.247) 5.858 5.514 ( 0.624 3.083 -6.342) 7.079 5.577 ( -5.491 5.330 1.508) 7.800 5.732 ( 0.831 1.621 0.714) 1.956 5.774 ( -3.334 -0.284 1.798) 3.798 5.978 ( 9.016 2.235 3.680) 9.991 6.130 ( -7.107 1.633 -0.516) 7.310 6.421 ( 3.719 3.571 1.501) 5.370 6.489 ( -1.116 4.291 -3.960) 5.944 6.662 ( 1.126 -2.435 7.301) 7.778 6.805 ( -6.202 -0.278 -8.819) 10.785 7.608 ( 1.122 -1.073 2.392) 2.852 7.653 ( -1.525 -1.256 -2.464) 3.158 7.829 ( 5.512 5.498 0.263) 7.789 7.903 ( -3.830 4.003 1.011) 5.632 8.147 ( 6.785 1.437 2.221) 7.283 8.265 ( -5.525 0.104 -0.849) 5.590 8.394 ( -0.019 -1.503 2.976) 3.334 8.451 ( -2.043 -4.082 -2.641) 5.274 9.093 ( 11.903 -3.977 -3.049) 12.915 9.263 ( -13.238 -5.543 4.333) 14.992 9.531 ( 9.798 -4.109 10.020) 14.604 9.743 ( 2.826 1.297 -8.870) 9.400 9.856 ( -0.264 6.350 -2.510) 6.834 9.961 ( -12.302 -5.100 -3.557) 13.784 10.741 ( 4.759 0.693 0.899) 4.893 10.804 ( -3.957 -1.329 2.399) 4.814 11.013 ( 1.802 1.978 -0.509) 2.725 11.057 ( -3.021 -0.766 -0.898) 3.243 11.379 ( 7.297 -4.399 2.607) 8.910 11.497 ( -4.352 -0.552 -2.755) 5.180 11.676 ( 2.277 0.543 2.486) 3.415 11.731 ( -2.413 -0.698 -1.728) 3.049 12.017 ( 5.441 2.941 1.742) 6.426 12.117 ( -4.823 1.854 -1.772) 5.463 12.419 ( -0.744 -5.090 3.143) 6.028 12.475 ( -2.344 -4.344 -4.586) 6.738 12.770 ( 2.335 5.314 0.823) 5.862 12.824 ( -4.123 4.053 0.350) 5.792 13.206 ( 2.887 -2.862 5.650) 6.960 13.289 ( 0.160 -2.640 -7.625) 8.070 13.911 ( 8.191 -0.100 -1.405) 8.311 13.949 ( 1.978 -1.350 1.704) 2.939 14.248 ( -3.352 2.109 1.951) 4.415 14.292 ( -6.847 1.007 -0.419) 6.933 15.028 ( 13.066 -7.091 2.316) 15.046 15.272 ( -15.486 -8.271 -2.383) 17.718 17.145 ( 12.309 11.932 1.432) 17.203 17.315 ( -8.173 11.358 -0.641) 14.008 18.301 ( -2.232 0.627 4.736) 5.273 18.313 ( 1.969 0.725 -4.446) 4.916 21.063 ( 1.945 -0.850 3.610) 4.188 21.129 ( -1.844 -0.779 -3.369) 3.918 21.645 ( 2.756 0.082 1.321) 3.058 21.713 ( -3.083 1.030 -2.343) 4.007 22.016 ( 0.673 -4.553 1.558) 4.859 22.082 ( -4.502 -2.971 -4.686) 7.145 23.159 ( 3.285 -0.410 6.321) 7.135 23.213 ( 1.302 -2.698 -2.372) 3.821 23.708 ( 1.401 -3.431 1.911) 4.170 23.749 ( -0.673 -0.754 -2.889) 3.060 23.774 ( 0.767 -0.358 1.456) 1.684 23.797 ( -1.756 0.784 0.561) 2.003 24.079 ( 2.796 3.323 0.197) 4.347 24.123 ( -2.653 0.789 0.344) 2.790 24.320 ( 2.236 2.518 1.386) 3.641 24.384 ( -2.752 4.920 -3.393) 6.580 ======================= Grid point 274 (134/140) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.935 ( 1.755 8.458 -5.815) 10.413 1.935 ( -1.755 8.458 5.815) 10.413 2.044 ( 8.146 3.569 -11.188) 14.292 2.044 ( -8.146 3.569 11.188) 14.292 2.440 ( -1.677 -1.719 -7.754) 8.117 2.440 ( 1.677 -1.719 7.754) 8.117 2.557 ( -4.673 -3.684 -1.750) 6.202 2.557 ( 4.673 -3.684 1.750) 6.202 2.865 ( -6.817 -1.140 -9.742) 11.945 2.865 ( 6.817 -1.140 9.742) 11.945 2.986 ( -4.779 -3.688 -2.156) 6.410 2.986 ( 4.779 -3.688 2.156) 6.410 3.205 ( -6.138 1.354 -0.257) 6.291 3.205 ( 6.138 1.354 0.257) 6.291 3.436 ( -5.959 3.527 -5.775) 9.017 3.436 ( 5.959 3.527 5.775) 9.017 3.755 ( -8.385 3.933 1.650) 9.407 3.755 ( 8.385 3.933 -1.650) 9.407 3.842 ( 0.341 1.712 -7.455) 7.657 3.842 ( -0.341 1.712 7.455) 7.657 4.220 ( 1.693 1.323 -4.567) 5.047 4.220 ( -1.693 1.323 4.567) 5.047 4.497 ( 4.833 -2.882 -8.355) 10.073 4.497 ( -4.833 -2.882 8.355) 10.073 4.833 ( -4.555 3.184 -5.167) 7.589 4.833 ( 4.555 3.184 5.167) 7.589 5.154 ( 0.684 -3.248 -7.758) 8.439 5.154 ( -0.684 -3.248 7.758) 8.439 5.431 ( -4.481 -0.824 -6.611) 8.029 5.431 ( 4.481 -0.824 6.611) 8.029 5.463 ( -5.280 2.464 0.202) 5.830 5.463 ( 5.280 2.464 -0.202) 5.830 5.747 ( -2.263 0.155 -2.420) 3.317 5.747 ( 2.263 0.155 2.420) 3.317 6.036 ( -1.215 1.892 -10.785) 11.017 6.036 ( 1.215 1.892 10.785) 11.017 6.407 ( 1.546 0.687 -6.835) 7.041 6.407 ( -1.546 0.687 6.835) 7.041 6.751 ( -2.401 -2.107 -8.636) 9.207 6.751 ( 2.401 -2.107 8.636) 9.207 7.672 ( -2.316 -2.796 -2.616) 4.475 7.672 ( 2.316 -2.796 2.616) 4.475 7.821 ( -2.500 0.856 -2.567) 3.684 7.821 ( 2.500 0.856 2.567) 3.684 8.195 ( -5.646 0.219 -0.891) 5.720 8.195 ( 5.646 0.219 0.891) 5.720 8.468 ( -3.504 -2.130 -2.934) 5.042 8.468 ( 3.504 -2.130 2.934) 5.042 9.260 ( -9.008 -5.167 0.317) 10.390 9.260 ( 9.008 -5.167 -0.317) 10.390 9.590 ( -8.138 6.738 -8.524) 13.575 9.590 ( 8.138 6.738 8.524) 13.575 9.932 ( -2.162 -4.089 -12.813) 13.622 9.932 ( 2.162 -4.089 12.813) 13.622 10.764 ( -3.893 2.046 -4.380) 6.207 10.764 ( 3.893 2.046 4.380) 6.207 11.029 ( -4.392 -0.598 -1.843) 4.801 11.029 ( 4.392 -0.598 1.843) 4.801 11.390 ( -0.181 6.314 -6.396) 8.989 11.390 ( 0.181 6.314 6.396) 8.989 11.774 ( 0.392 -5.008 -5.454) 7.415 11.774 ( -0.392 -5.008 5.454) 7.415 12.046 ( -6.558 -0.266 -0.921) 6.628 12.046 ( 6.558 -0.266 0.921) 6.628 12.511 ( 0.868 -3.435 -5.167) 6.265 12.511 ( -0.868 -3.435 5.167) 6.265 12.755 ( -2.008 -0.222 -4.254) 4.710 12.755 ( 2.008 -0.222 4.254) 4.710 13.330 ( 1.195 -6.326 -9.190) 11.221 13.330 ( -1.195 -6.326 9.190) 11.221 13.949 ( 0.136 1.067 -1.940) 2.218 13.949 ( -0.136 1.067 1.940) 2.218 14.207 ( -3.159 3.404 -1.701) 4.946 14.207 ( 3.159 3.404 1.701) 4.946 15.244 ( -11.021 -3.978 -5.781) 13.066 15.244 ( 11.021 -3.978 5.781) 13.066 17.084 ( 2.073 6.536 -11.837) 13.680 17.084 ( -2.073 6.536 11.837) 13.680 18.283 ( 4.517 2.102 -7.125) 8.694 18.283 ( -4.517 2.102 7.125) 8.694 21.118 ( 2.344 -1.539 -6.718) 7.280 21.118 ( -2.344 -1.539 6.718) 7.280 21.663 ( -2.675 0.749 -1.340) 3.084 21.663 ( 2.675 0.749 1.340) 3.084 22.113 ( -1.858 -4.985 -5.460) 7.623 22.113 ( 1.858 -4.985 5.460) 7.623 23.198 ( -0.015 2.016 -8.868) 9.095 23.198 ( 0.015 2.016 8.868) 9.095 23.741 ( -1.151 3.578 -1.143) 3.929 23.741 ( 1.151 3.578 1.144) 3.929 23.783 ( -2.479 -3.274 -1.408) 4.341 23.783 ( 2.479 -3.274 1.408) 4.341 24.070 ( -1.970 2.109 -3.661) 4.661 24.070 ( 1.970 2.109 3.661) 4.661 24.312 ( -2.689 0.482 -1.338) 3.042 24.312 ( 2.689 0.482 1.338) 3.042 ======================= Grid point 280 (135/140) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 6.742 0.000 0.204) 6.745 1.183 ( 18.684 0.000 -5.629) 19.514 1.298 ( -8.113 -0.000 -7.435) 11.004 2.026 ( 2.321 0.000 0.823) 2.462 2.062 ( 3.166 0.000 -4.037) 5.130 2.131 ( 2.763 0.000 2.710) 3.870 2.308 ( 10.407 0.000 -6.190) 12.109 2.371 ( -14.500 -0.000 -10.071) 17.654 2.596 ( -0.376 -0.000 8.390) 8.398 2.632 ( 0.790 0.000 -6.816) 6.861 2.813 ( 9.299 0.000 -3.971) 10.112 2.887 ( -11.197 -0.000 1.490) 11.296 3.134 ( 0.607 0.000 6.911) 6.938 3.325 ( 3.073 0.000 -2.067) 3.703 3.344 ( 7.178 0.000 -0.743) 7.216 3.419 ( -2.999 -0.000 -5.830) 6.556 3.617 ( -10.085 -0.000 -2.470) 10.383 3.780 ( -1.795 -0.000 -3.869) 4.265 3.881 ( 2.251 0.000 6.517) 6.894 3.908 ( -1.186 -0.000 3.724) 3.909 3.918 ( 0.458 0.000 1.954) 2.007 4.297 ( -4.566 -0.000 9.263) 10.327 4.461 ( 1.039 0.000 -5.116) 5.221 4.634 ( -3.436 -0.000 0.318) 3.451 4.651 ( -2.610 -0.000 -2.962) 3.948 4.966 ( -3.894 -0.000 3.414) 5.179 5.170 ( -0.666 -0.000 7.126) 7.157 5.287 ( 10.673 0.000 -2.387) 10.937 5.392 ( 1.977 0.000 3.479) 4.001 5.463 ( -4.189 -0.000 -7.325) 8.438 5.572 ( -4.491 -0.000 -0.763) 4.555 5.698 ( 0.089 0.000 -7.168) 7.169 5.745 ( 3.468 0.000 8.090) 8.802 5.984 ( 3.395 0.000 -2.810) 4.408 6.070 ( 5.308 0.000 -3.372) 6.288 6.341 ( -8.874 -0.000 7.760) 11.788 6.414 ( 2.466 0.000 -9.841) 10.145 6.437 ( 15.234 0.000 11.840) 19.294 6.564 ( -10.752 -0.000 5.073) 11.889 6.888 ( 9.126 0.000 -10.014) 13.548 7.829 ( 6.254 0.000 2.910) 6.897 7.869 ( 0.312 0.000 3.593) 3.607 7.894 ( -0.082 -0.000 3.019) 3.020 7.958 ( 2.380 0.000 -3.786) 4.472 8.086 ( -5.178 -0.000 -3.084) 6.027 8.111 ( 2.847 0.000 2.734) 3.948 8.306 ( -0.626 -0.000 1.531) 1.654 8.578 ( -0.859 -0.000 -0.352) 0.929 8.897 ( -16.003 -0.000 13.602) 21.003 8.938 ( -3.343 -0.000 -9.359) 9.938 9.187 ( -9.163 -0.000 -9.095) 12.911 9.332 ( -8.826 -0.000 -15.872) 18.161 10.171 ( 3.962 0.000 5.927) 7.129 10.319 ( 6.840 0.000 -1.613) 7.027 10.616 ( 3.283 0.000 -1.642) 3.670 10.761 ( 3.246 0.000 0.445) 3.277 10.814 ( 0.445 0.000 2.648) 2.686 10.821 ( -6.981 -0.000 -0.918) 7.041 11.065 ( -3.463 -0.000 1.652) 3.837 11.291 ( -6.245 -0.000 -14.338) 15.639 11.932 ( 2.071 0.000 3.724) 4.261 11.956 ( -0.820 -0.000 12.710) 12.736 12.093 ( -0.588 -0.000 4.128) 4.170 12.279 ( 6.565 0.000 1.862) 6.824 12.523 ( -2.399 -0.000 -4.283) 4.909 12.700 ( 5.984 0.000 -15.105) 16.247 12.999 ( 1.476 0.000 4.598) 4.829 13.013 ( 5.603 0.000 -7.653) 9.485 13.374 ( -3.791 -0.000 12.620) 13.177 13.531 ( 1.386 0.000 -2.592) 2.939 13.583 ( 0.036 0.000 -9.628) 9.628 13.801 ( -3.398 -0.000 6.174) 7.047 14.056 ( 7.661 0.000 0.648) 7.688 14.372 ( -1.567 -0.000 -1.526) 2.187 14.631 ( -14.927 -0.000 0.472) 14.935 14.646 ( -8.466 -0.000 -0.660) 8.492 17.580 ( 20.523 0.000 4.758) 21.067 18.208 ( -1.629 -0.000 8.054) 8.217 18.247 ( 7.165 0.000 -6.947) 9.980 18.322 ( -4.425 -0.000 17.008) 17.574 21.060 ( -3.242 -0.000 6.917) 7.640 21.204 ( 2.145 0.000 -6.522) 6.866 21.679 ( -2.946 -0.000 -6.002) 6.686 21.743 ( -2.900 -0.000 -2.613) 3.904 21.901 ( -2.583 -0.000 1.209) 2.852 22.129 ( -13.255 -0.000 -22.808) 26.379 22.945 ( 1.271 0.000 2.872) 3.140 23.033 ( 1.227 0.000 0.331) 1.271 23.353 ( 6.407 0.000 9.566) 11.513 23.452 ( -1.222 -0.000 12.874) 12.932 23.750 ( 0.176 0.000 -8.726) 8.727 23.805 ( -3.045 -0.000 -5.950) 6.684 24.154 ( 2.072 0.000 2.541) 3.279 24.220 ( 0.180 0.000 5.605) 5.608 24.486 ( 5.110 0.000 17.355) 18.092 24.868 ( 6.580 0.000 -13.016) 14.585 ======================= Grid point 281 (136/140) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.042 ( 5.002 -21.686 2.576) 22.404 1.352 ( -4.846 -15.643 -9.521) 18.943 1.429 ( 19.692 -10.230 4.102) 22.566 2.050 ( -1.837 -5.770 -2.503) 6.553 2.112 ( -3.337 -5.216 -8.206) 10.280 2.194 ( -2.934 -4.195 -4.909) 7.092 2.239 ( 0.756 0.009 6.395) 6.439 2.358 ( 4.227 -1.181 -4.971) 6.631 2.616 ( 1.567 -0.045 -5.044) 5.282 2.682 ( -1.656 -4.060 7.338) 8.548 2.732 ( -5.140 3.063 1.155) 6.094 2.917 ( 0.433 -0.825 -4.670) 4.762 3.177 ( 1.809 -4.164 5.204) 6.906 3.302 ( 3.131 3.026 -1.094) 4.490 3.435 ( -3.540 -5.637 -1.182) 6.760 3.443 ( 2.342 -2.686 -1.924) 4.050 3.551 ( -1.226 -2.618 -2.159) 3.609 3.753 ( -2.369 -1.703 -3.986) 4.940 3.866 ( -5.149 0.046 3.215) 6.070 3.900 ( 1.428 2.682 -1.454) 3.369 4.005 ( 5.765 -1.900 4.333) 7.458 4.276 ( -1.325 2.444 8.250) 8.705 4.466 ( -2.173 -1.963 -2.423) 3.801 4.534 ( -6.365 3.837 -5.034) 8.977 4.677 ( 2.211 -1.737 2.288) 3.625 4.907 ( -5.885 2.376 -2.946) 6.997 5.171 ( -1.350 3.089 6.537) 7.355 5.314 ( 4.247 1.311 -7.685) 8.877 5.336 ( 1.221 5.120 2.889) 6.004 5.470 ( 3.253 -1.106 -1.852) 3.903 5.582 ( -2.474 -2.101 6.977) 7.695 5.674 ( 0.896 -0.392 -7.946) 8.006 5.788 ( 4.881 2.842 6.879) 8.901 5.929 ( 2.581 5.997 1.328) 6.663 6.095 ( 6.322 0.763 -2.242) 6.750 6.359 ( -1.902 -3.660 -1.470) 4.379 6.426 ( -3.031 -4.240 -0.166) 5.215 6.454 ( -10.262 4.355 3.743) 11.760 6.591 ( 9.032 1.324 9.240) 12.989 6.912 ( 4.309 -0.758 -10.072) 10.981 7.799 ( -1.888 5.660 1.761) 6.221 7.859 ( -0.809 2.792 -0.357) 2.928 7.916 ( 5.269 -1.084 2.426) 5.901 8.031 ( 5.073 -3.828 -1.131) 6.455 8.078 ( -3.588 -4.057 -1.980) 5.767 8.165 ( 0.261 -2.387 2.323) 3.341 8.320 ( 1.796 0.219 2.675) 3.229 8.555 ( -3.928 0.866 -2.362) 4.664 8.836 ( -3.647 -0.055 9.753) 10.413 8.933 ( -1.870 -3.569 -0.654) 4.082 9.099 ( -8.551 -3.344 -6.471) 11.233 9.303 ( -10.900 -12.159 -16.192) 22.996 10.182 ( 3.514 5.544 6.245) 9.060 10.303 ( 4.272 5.324 -3.638) 7.736 10.642 ( 2.885 -0.985 -0.018) 3.048 10.780 ( -5.934 -1.797 -2.145) 6.561 10.837 ( 4.428 -4.646 1.610) 6.617 10.864 ( 2.316 -3.549 3.085) 5.242 11.070 ( -3.502 -2.431 1.965) 4.695 11.208 ( -6.628 -3.177 -12.110) 14.166 11.937 ( 3.599 3.318 2.287) 5.403 11.994 ( -3.395 0.756 9.210) 9.845 12.101 ( 2.686 2.493 6.490) 7.454 12.306 ( 2.983 1.978 -2.423) 4.322 12.475 ( -1.861 2.973 -0.314) 3.521 12.528 ( 6.353 11.850 -9.342) 16.373 13.001 ( 3.351 1.181 -4.380) 5.639 13.095 ( -3.238 -2.956 -3.857) 5.839 13.327 ( -3.130 7.292 10.710) 13.329 13.428 ( 2.779 7.248 -6.654) 10.224 13.641 ( 3.720 -6.006 -0.852) 7.116 13.804 ( -2.976 -1.861 3.266) 4.795 14.180 ( 5.326 -4.641 2.380) 7.455 14.370 ( -1.459 0.250 -0.202) 1.494 14.501 ( -4.549 -3.626 -0.327) 5.826 14.751 ( -12.699 -14.148 -0.952) 19.035 17.685 ( 19.935 8.504 3.946) 22.029 18.163 ( -4.705 11.678 4.403) 13.337 18.255 ( -1.143 -0.352 6.345) 6.457 18.298 ( -0.813 0.235 -0.700) 1.098 21.071 ( -3.220 0.172 7.775) 8.417 21.170 ( 2.084 1.262 -8.734) 9.067 21.627 ( -1.088 0.876 -3.331) 3.612 21.719 ( -4.384 -1.830 -3.776) 6.068 21.845 ( 1.350 1.769 -0.724) 2.340 22.055 ( -8.702 -6.098 -11.819) 15.893 22.985 ( 1.183 -2.170 3.547) 4.323 23.045 ( 0.935 -1.232 -1.005) 1.844 23.470 ( 4.983 -2.772 8.751) 10.445 23.533 ( -0.233 -3.196 11.458) 11.897 23.725 ( -0.095 -1.613 -8.127) 8.286 23.765 ( -2.753 -1.643 -6.243) 7.018 24.169 ( 2.033 1.331 2.024) 3.163 24.226 ( -1.036 1.217 2.851) 3.268 24.548 ( 2.685 5.574 15.912) 17.073 24.801 ( 4.130 5.304 -13.337) 14.935 ======================= Grid point 282 (137/140) ======================= q-point: ( 0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 243 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 4.153 -22.065 3.214) 22.682 1.590 ( -2.688 -19.807 -9.170) 21.992 1.796 ( 13.750 -13.873 7.518) 20.929 2.064 ( -6.851 -5.824 -10.840) 14.084 2.182 ( -2.008 -5.232 7.306) 9.208 2.221 ( -2.806 -2.409 -3.231) 4.911 2.360 ( 4.354 -5.365 1.278) 7.027 2.389 ( 2.649 -3.001 -2.816) 4.894 2.610 ( 2.278 -1.344 -3.839) 4.662 2.654 ( -7.493 -1.046 2.419) 7.943 2.805 ( -0.286 -4.788 5.125) 7.020 2.883 ( -3.220 -1.658 -4.647) 5.892 3.259 ( 2.927 3.864 0.511) 4.874 3.283 ( -1.751 -0.383 3.002) 3.497 3.462 ( 2.847 -5.013 -1.817) 6.045 3.504 ( -3.081 -5.017 2.488) 6.391 3.674 ( 1.445 -5.717 0.215) 5.901 3.732 ( -1.073 2.275 -6.502) 6.972 3.832 ( 2.073 -0.233 -2.636) 3.361 3.877 ( -4.652 -2.443 2.838) 5.972 4.110 ( 9.451 -2.154 2.805) 10.091 4.261 ( -4.045 1.348 1.394) 4.486 4.432 ( -1.377 0.235 -1.202) 1.842 4.466 ( -2.655 -0.359 -1.618) 3.130 4.726 ( 3.162 -0.326 1.726) 3.617 4.819 ( -5.847 -0.281 -2.772) 6.477 5.133 ( 0.774 4.026 5.943) 7.220 5.228 ( -3.031 3.403 -5.966) 7.507 5.341 ( 4.187 1.545 7.090) 8.378 5.451 ( -0.667 0.962 -7.286) 7.380 5.644 ( 2.178 -1.494 -0.104) 2.643 5.663 ( -0.130 0.104 1.579) 1.588 5.791 ( 4.225 3.789 3.579) 6.709 5.856 ( -0.823 4.952 1.161) 5.152 6.116 ( 9.738 3.578 -0.675) 10.397 6.280 ( -11.186 6.017 1.937) 12.848 6.422 ( 3.748 -4.198 -1.800) 5.908 6.504 ( -6.186 -6.503 -0.394) 8.984 6.637 ( 7.282 4.472 10.529) 13.560 6.841 ( -4.215 2.847 -11.369) 12.455 7.710 ( 0.701 5.653 2.603) 6.263 7.761 ( -2.697 5.405 -2.191) 6.425 8.002 ( 4.388 -1.218 3.111) 5.515 8.042 ( 3.786 4.354 -1.875) 6.066 8.159 ( -0.719 -5.199 0.537) 5.276 8.185 ( -2.611 -1.181 0.891) 3.001 8.345 ( 3.616 0.685 2.136) 4.255 8.460 ( -6.490 3.168 -2.883) 7.776 8.950 ( 7.388 -5.106 0.242) 8.984 9.064 ( -5.906 -7.056 12.371) 15.417 9.118 ( 3.400 -11.454 -4.299) 12.698 9.385 ( -13.678 -16.673 -13.946) 25.682 10.108 ( 2.449 9.045 6.223) 11.248 10.181 ( 1.029 8.821 -5.343) 10.364 10.696 ( 3.516 -2.276 0.334) 4.202 10.763 ( -4.782 -1.911 -1.062) 5.257 10.960 ( 2.324 -3.772 7.493) 8.704 11.027 ( 7.291 -10.387 -1.145) 12.743 11.076 ( -1.641 -0.240 -2.356) 2.881 11.201 ( -9.333 -8.822 -5.276) 13.884 11.894 ( 5.153 6.529 -0.441) 8.329 11.943 ( -4.001 5.697 3.448) 7.769 12.115 ( 3.081 3.233 8.733) 9.809 12.229 ( -2.485 4.562 -5.150) 7.315 12.378 ( 8.317 5.000 -7.939) 12.538 12.423 ( -5.418 2.195 3.701) 6.919 12.973 ( 1.420 3.308 -1.478) 3.892 13.001 ( -2.557 6.392 -1.758) 7.105 13.246 ( -1.302 5.232 8.843) 10.357 13.314 ( 1.403 3.924 -9.321) 10.211 13.791 ( 5.574 -6.508 0.563) 8.587 13.852 ( -1.535 -4.227 1.255) 4.669 14.254 ( 0.489 -1.023 2.275) 2.542 14.316 ( -5.404 0.915 -0.728) 5.529 14.689 ( 9.262 -12.121 1.596) 15.337 14.885 ( -13.526 -14.027 -1.695) 19.560 17.638 ( 16.058 15.049 2.782) 22.183 17.850 ( -9.509 18.016 1.014) 20.396 18.287 ( -3.220 -1.018 7.726) 8.431 18.304 ( 3.279 -0.959 -6.506) 7.348 21.075 ( -1.419 1.030 6.436) 6.671 21.126 ( 0.867 0.660 -7.300) 7.381 21.623 ( 1.932 -0.858 0.557) 2.186 21.698 ( -4.538 -1.882 -3.755) 6.184 21.885 ( 4.529 -2.333 2.359) 5.614 22.019 ( -7.628 -2.641 -7.115) 10.760 23.065 ( -0.109 -4.110 4.628) 6.191 23.085 ( 1.792 -3.254 -2.408) 4.427 23.588 ( 2.996 -3.215 6.559) 7.895 23.645 ( -0.164 -4.103 5.812) 7.116 23.721 ( -0.531 -2.292 -3.828) 4.493 23.765 ( -1.358 -3.191 -5.674) 6.650 24.161 ( 1.904 2.245 1.177) 3.170 24.193 ( -1.800 2.382 0.889) 3.115 24.513 ( 2.747 7.911 10.714) 13.599 24.638 ( 0.140 8.579 -11.029) 13.973 ======================= Grid point 283 (138/140) ======================= q-point: ( 0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.832 ( -2.460 -14.512 -5.650) 15.766 1.832 ( 2.460 -14.512 5.650) 15.766 2.126 ( -1.494 -8.626 -5.781) 10.491 2.126 ( 1.494 -8.626 5.781) 10.491 2.190 ( -4.597 -0.083 -9.187) 10.273 2.190 ( 4.597 -0.083 9.187) 10.273 2.478 ( -0.498 -4.393 -5.155) 6.792 2.478 ( 0.498 -4.393 5.155) 6.792 2.683 ( 2.267 -6.697 -5.751) 9.114 2.683 ( -2.267 -6.697 5.751) 9.114 2.889 ( -0.912 -2.863 -3.533) 4.638 2.889 ( 0.912 -2.863 3.533) 4.638 3.227 ( -3.586 2.995 -3.447) 5.806 3.227 ( 3.586 2.995 3.447) 5.806 3.555 ( -0.453 0.246 -7.646) 7.664 3.555 ( 0.453 0.246 7.646) 7.664 3.691 ( -6.907 -2.344 -2.149) 7.604 3.691 ( 6.907 -2.344 2.149) 7.604 3.903 ( 4.107 -2.566 -9.574) 10.729 3.903 ( -4.107 -2.566 9.574) 10.729 4.217 ( -4.965 -1.330 0.420) 5.157 4.217 ( 4.965 -1.330 -0.420) 5.157 4.445 ( 2.317 -0.382 -4.557) 5.127 4.445 ( -2.317 -0.382 4.557) 5.127 4.794 ( -7.354 -3.038 -2.724) 8.410 4.794 ( 7.354 -3.038 2.724) 8.410 5.122 ( -1.192 2.253 -8.501) 8.875 5.122 ( 1.192 2.253 8.501) 8.875 5.400 ( -2.228 -0.839 -8.352) 8.685 5.400 ( 2.228 -0.839 8.352) 8.685 5.634 ( 6.275 4.522 -5.510) 9.496 5.634 ( -6.275 4.522 5.510) 9.496 5.772 ( -0.248 2.223 -1.507) 2.697 5.772 ( 0.248 2.223 1.507) 2.697 6.116 ( -5.221 4.493 -2.217) 7.235 6.116 ( 5.221 4.493 2.217) 7.235 6.508 ( -3.757 0.307 -2.782) 4.685 6.508 ( 3.757 0.307 2.782) 4.685 6.701 ( -6.426 0.163 -11.359) 13.052 6.701 ( 6.426 0.163 11.359) 13.052 7.650 ( -0.684 3.611 -3.270) 4.920 7.650 ( 0.684 3.611 3.270) 4.920 7.968 ( 1.485 6.024 -1.636) 6.416 7.968 ( -1.485 6.024 1.636) 6.416 8.217 ( -3.197 -1.405 -1.542) 3.817 8.217 ( 3.197 -1.405 1.542) 3.817 8.376 ( -1.890 -0.735 -1.613) 2.591 8.376 ( 1.890 -0.735 1.613) 2.591 9.096 ( -8.037 -4.934 0.968) 9.480 9.096 ( 8.037 -4.934 -0.968) 9.480 9.493 ( -8.833 -14.980 -15.245) 23.127 9.493 ( 8.833 -14.980 15.245) 23.127 9.992 ( -1.229 9.477 -5.711) 11.133 9.992 ( 1.229 9.477 5.711) 11.133 10.760 ( 1.131 -1.633 -1.764) 2.656 10.760 ( -1.131 -1.633 1.764) 2.656 11.039 ( -0.526 -0.062 -5.381) 5.407 11.039 ( 0.526 -0.062 5.381) 5.407 11.295 ( -8.712 -11.932 -1.788) 14.882 11.295 ( 8.712 -11.932 1.788) 14.882 11.795 ( 0.886 8.281 -1.129) 8.405 11.795 ( -0.886 8.281 1.129) 8.405 12.114 ( -3.418 3.240 -4.423) 6.461 12.114 ( 3.418 3.240 4.423) 6.461 12.386 ( -3.097 -1.556 -0.913) 3.584 12.386 ( 3.097 -1.556 0.913) 3.584 12.888 ( -0.457 6.013 -0.644) 6.065 12.888 ( 0.457 6.013 0.644) 6.065 13.232 ( 1.754 0.885 -10.373) 10.557 13.232 ( -1.754 0.885 10.373) 10.557 13.913 ( -1.738 -3.662 0.536) 4.089 13.913 ( 1.738 -3.662 -0.536) 4.089 14.270 ( -1.152 0.647 -2.445) 2.779 14.270 ( 1.152 0.647 2.445) 2.779 14.986 ( -9.338 -11.173 -4.850) 15.347 14.986 ( 9.338 -11.173 4.850) 15.347 17.478 ( -2.102 16.281 -7.852) 18.197 17.478 ( 2.102 16.281 7.852) 18.197 18.309 ( 3.691 -0.415 -7.438) 8.314 18.309 ( -3.691 -0.415 7.438) 8.314 21.089 ( 2.620 0.128 -8.747) 9.132 21.089 ( -2.620 0.128 8.747) 9.132 21.675 ( -3.761 -0.866 -2.795) 4.766 21.675 ( 3.761 -0.866 2.795) 4.766 21.983 ( -3.766 -2.749 -4.684) 6.609 21.983 ( 3.766 -2.749 4.684) 6.609 23.149 ( 2.105 -3.937 -5.006) 6.708 23.149 ( -2.105 -3.937 5.006) 6.708 23.683 ( -1.647 -2.803 -4.501) 5.553 23.683 ( 1.647 -2.803 4.501) 5.553 23.779 ( -0.693 -2.004 -4.451) 4.930 23.779 ( 0.693 -2.004 4.451) 4.930 24.137 ( 1.440 2.468 -1.854) 3.406 24.137 ( -1.440 2.468 1.854) 3.406 24.445 ( -2.727 7.289 -6.552) 10.173 24.445 ( 2.727 7.289 6.552) 10.173 ======================= Grid point 291 (139/140) ======================= q-point: ( 0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 135 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.927 ( 7.599 0.000 8.699) 11.550 1.117 ( -6.223 -0.000 -8.801) 10.778 1.546 ( 22.879 0.000 9.350) 24.716 1.946 ( -10.778 -0.000 -3.618) 11.369 2.003 ( -0.564 -0.000 -7.176) 7.198 2.014 ( -10.920 -0.000 -9.175) 14.263 2.309 ( 6.037 0.000 4.760) 7.688 2.365 ( 1.586 0.000 -0.887) 1.817 2.636 ( 4.478 0.000 -2.643) 5.200 2.672 ( -0.868 -0.000 5.402) 5.471 2.767 ( -4.922 -0.000 5.296) 7.230 2.850 ( 1.011 0.000 -8.865) 8.923 3.183 ( 1.464 0.000 4.471) 4.704 3.294 ( -4.445 -0.000 -7.089) 8.367 3.422 ( 4.694 0.000 5.560) 7.277 3.424 ( 4.699 0.000 -1.748) 5.014 3.509 ( -0.923 -0.000 1.174) 1.493 3.652 ( -7.255 -0.000 -7.139) 10.178 3.878 ( -1.896 -0.000 3.743) 4.196 3.902 ( 0.029 0.000 -3.805) 3.805 4.100 ( 11.578 0.000 6.016) 13.048 4.287 ( -10.491 -0.000 7.491) 12.892 4.436 ( 1.911 0.000 -3.889) 4.333 4.483 ( -6.143 -0.000 -4.047) 7.357 4.715 ( 4.576 0.000 5.752) 7.350 4.863 ( -6.119 -0.000 -6.195) 8.707 5.231 ( -0.748 -0.000 7.997) 8.032 5.299 ( 1.545 0.000 -9.934) 10.054 5.431 ( 3.118 0.000 -1.055) 3.292 5.446 ( 0.351 0.000 1.473) 1.515 5.584 ( -2.315 -0.000 9.125) 9.414 5.637 ( 1.743 0.000 -8.540) 8.716 5.896 ( 6.011 0.000 7.010) 9.234 6.001 ( -0.206 -0.000 -2.451) 2.460 6.146 ( 7.974 0.000 -0.427) 7.986 6.270 ( -8.340 -0.000 3.363) 8.992 6.367 ( 4.856 0.000 -9.444) 10.620 6.425 ( -11.579 -0.000 4.687) 12.491 6.744 ( 7.125 0.000 14.110) 15.807 6.891 ( 3.536 0.000 -11.502) 12.033 7.846 ( -3.890 -0.000 3.136) 4.997 7.868 ( -1.018 -0.000 -5.438) 5.532 7.953 ( 3.544 0.000 0.340) 3.560 7.973 ( 1.457 0.000 2.436) 2.838 8.045 ( 4.656 0.000 -2.181) 5.141 8.130 ( -4.473 -0.000 1.467) 4.707 8.374 ( 4.604 0.000 6.048) 7.601 8.514 ( -4.705 -0.000 -5.216) 7.024 8.875 ( 2.385 0.000 -0.790) 2.513 8.883 ( -4.615 -0.000 17.131) 17.742 8.982 ( -6.932 -0.000 -6.805) 9.714 9.059 ( -4.995 -0.000 -17.537) 18.235 10.286 ( 2.841 0.000 6.326) 6.935 10.353 ( 1.621 0.000 -4.809) 5.074 10.655 ( 2.817 0.000 0.337) 2.837 10.717 ( -4.661 -0.000 -1.227) 4.820 10.828 ( 4.467 0.000 -0.177) 4.471 10.852 ( 0.031 0.000 2.793) 2.794 11.033 ( -2.109 -0.000 2.510) 3.279 11.100 ( -3.842 -0.000 -8.831) 9.631 11.989 ( 3.191 0.000 -0.495) 3.229 12.012 ( -4.008 -0.000 6.816) 7.907 12.182 ( 2.976 0.000 9.777) 10.220 12.310 ( 0.969 0.000 -10.765) 10.809 12.527 ( -0.555 -0.000 11.269) 11.282 12.632 ( 3.123 0.000 -14.405) 14.740 13.017 ( 4.797 0.000 -7.419) 8.835 13.024 ( -3.573 -0.000 5.153) 6.270 13.428 ( -2.409 -0.000 9.791) 10.082 13.496 ( 0.508 0.000 -9.171) 9.185 13.612 ( 8.286 0.000 1.083) 8.356 13.747 ( -8.725 -0.000 2.215) 9.002 14.209 ( 10.961 0.000 0.902) 10.998 14.366 ( -3.520 -0.000 0.581) 3.568 14.440 ( -3.993 -0.000 -2.428) 4.673 14.512 ( -8.658 -0.000 0.551) 8.675 17.935 ( 21.259 0.000 2.018) 21.354 18.213 ( -12.329 -0.000 4.816) 13.236 18.274 ( 5.191 0.000 -7.121) 8.812 18.282 ( -8.498 -0.000 8.441) 11.977 21.090 ( -2.944 -0.000 9.649) 10.088 21.151 ( 2.110 0.000 -10.531) 10.741 21.616 ( 0.041 0.000 -2.228) 2.228 21.650 ( -3.875 -0.000 -3.169) 5.006 21.882 ( -2.796 -0.000 3.659) 4.605 21.903 ( 0.823 0.000 -9.069) 9.106 22.989 ( 1.215 0.000 2.413) 2.701 23.025 ( -0.517 -0.000 -2.060) 2.124 23.530 ( 5.265 0.000 7.653) 9.289 23.556 ( -0.990 -0.000 11.528) 11.570 23.671 ( 0.679 0.000 -9.041) 9.067 23.693 ( -3.605 -0.000 -6.543) 7.471 24.204 ( 2.099 0.000 1.278) 2.457 24.235 ( -1.565 -0.000 1.075) 1.899 24.688 ( -1.249 -0.000 18.563) 18.605 24.810 ( 4.154 0.000 -16.133) 16.659 ======================= Grid point 292 (140/140) ======================= q-point: ( 0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 8.27e-07 5.87e-04 5.87e-04 5.87e-04 5.87e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( -4.672 -17.392 -9.856) 20.530 1.186 ( 4.672 -17.392 9.856) 20.530 1.806 ( -18.413 -5.184 -10.270) 21.712 1.806 ( 18.413 -5.184 10.270) 21.712 2.066 ( 0.751 -8.962 -6.694) 11.211 2.066 ( -0.751 -8.962 6.694) 11.211 2.364 ( -1.737 -0.590 -3.092) 3.595 2.364 ( 1.737 -0.590 3.092) 3.595 2.634 ( 5.657 2.300 -4.451) 7.557 2.634 ( -5.657 2.300 4.451) 7.557 2.806 ( -4.264 -0.967 -7.845) 8.981 2.806 ( 4.264 -0.967 7.845) 8.981 3.267 ( -2.974 -3.303 -5.122) 6.781 3.267 ( 2.974 -3.303 5.122) 6.781 3.426 ( -0.591 0.421 -1.596) 1.753 3.426 ( 0.591 0.421 1.596) 1.753 3.630 ( -6.660 -6.388 -3.411) 9.838 3.630 ( 6.660 -6.388 3.411) 9.838 3.862 ( 1.025 2.443 -5.184) 5.822 3.862 ( -1.025 2.443 5.184) 5.822 4.208 ( -11.890 0.523 -2.774) 12.221 4.208 ( 11.890 0.523 2.774) 12.221 4.436 ( 0.604 0.328 -2.126) 2.234 4.436 ( -0.604 0.328 2.126) 2.234 4.775 ( -4.919 0.939 -5.766) 7.637 4.775 ( 4.919 0.939 5.766) 7.637 5.236 ( 0.530 3.016 -8.794) 9.312 5.236 ( -0.530 3.016 8.794) 9.312 5.430 ( -2.295 1.680 -4.901) 5.666 5.430 ( 2.295 1.680 4.901) 5.666 5.629 ( 3.588 -1.926 -9.233) 10.091 5.629 ( -3.588 -1.926 9.233) 10.091 5.920 ( -3.645 4.539 -3.447) 6.765 5.920 ( 3.645 4.539 3.447) 6.765 6.233 ( -10.520 -0.762 -2.354) 10.807 6.233 ( 10.520 -0.762 2.354) 10.807 6.384 ( 5.068 -1.861 -7.939) 9.601 6.384 ( -5.068 -1.861 7.939) 9.601 6.812 ( -3.514 3.296 -12.639) 13.526 6.812 ( 3.514 3.296 12.639) 13.526 7.813 ( 0.561 3.716 -4.453) 5.827 7.813 ( -0.561 3.716 4.453) 5.827 8.006 ( -2.788 -3.520 -2.444) 5.112 8.006 ( 2.788 -3.520 2.444) 5.112 8.123 ( -6.277 -2.705 0.991) 6.906 8.123 ( 6.277 -2.705 -0.991) 6.906 8.431 ( -6.046 1.537 -5.550) 8.350 8.431 ( 6.046 1.537 5.550) 8.350 8.939 ( -6.721 -3.270 -2.444) 7.863 8.939 ( 6.721 -3.270 2.444) 7.863 9.018 ( -3.040 -8.119 -17.052) 19.129 9.018 ( 3.040 -8.119 17.052) 19.129 10.280 ( -0.856 5.730 -6.131) 8.436 10.280 ( 0.856 5.730 6.131) 8.436 10.693 ( -3.375 -1.430 -1.223) 3.864 10.693 ( 3.375 -1.430 1.223) 3.864 10.909 ( 2.277 -6.086 -4.197) 7.736 10.909 ( -2.277 -6.086 4.197) 7.736 11.056 ( -0.374 -1.258 -5.098) 5.264 11.056 ( 0.374 -1.258 5.098) 5.264 11.991 ( 3.702 2.107 -2.972) 5.194 11.991 ( -3.702 2.107 2.972) 5.194 12.234 ( -1.538 2.242 -11.227) 11.551 12.234 ( 1.538 2.242 11.227) 11.551 12.505 ( 4.823 7.389 -12.360) 15.186 12.505 ( -4.823 7.389 12.360) 15.186 13.025 ( 2.468 0.480 -4.170) 4.870 13.025 ( -2.468 0.480 4.170) 4.870 13.383 ( 2.558 6.995 -9.943) 12.423 13.383 ( -2.558 6.995 9.943) 12.423 13.735 ( -3.813 -5.249 -2.078) 6.813 13.735 ( 3.813 -5.249 2.078) 6.813 14.286 ( -6.343 0.785 -0.736) 6.434 14.286 ( 6.343 0.785 0.736) 6.434 14.566 ( -7.023 -11.268 -2.499) 13.510 14.566 ( 7.023 -11.268 2.499) 13.510 18.000 ( -15.636 10.915 -1.083) 19.099 18.000 ( 15.636 10.915 1.083) 19.099 18.282 ( 3.958 -0.671 -7.473) 8.483 18.282 ( -3.958 -0.671 7.473) 8.483 21.112 ( 2.893 0.681 -10.301) 10.721 21.112 ( -2.893 0.681 10.301) 10.721 21.627 ( -2.253 -1.068 -1.707) 3.021 21.627 ( 2.253 -1.068 1.707) 3.021 21.902 ( -1.476 -2.046 -5.645) 6.183 21.902 ( 1.476 -2.046 5.645) 6.183 23.028 ( -0.347 -2.263 -2.796) 3.613 23.028 ( 0.347 -2.263 2.796) 3.613 23.598 ( -0.481 -1.648 -3.983) 4.338 23.598 ( 0.481 -1.648 3.983) 4.338 23.672 ( -0.792 -2.702 -3.420) 4.430 23.672 ( 0.792 -2.702 3.420) 4.430 24.212 ( -1.563 1.369 -0.564) 2.153 24.212 ( 1.563 1.369 0.564) 2.153 24.706 ( 1.732 5.851 -15.893) 17.024 24.706 ( -1.732 5.851 15.893) 17.024 =================== 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 3/46656 10.0 555.405 380.511 355.716 0.000 30.832 0.000 3/46656 20.0 98.409 83.838 70.513 0.000 6.031 0.000 3/46656 30.0 41.114 38.425 31.467 0.000 2.661 0.000 3/46656 40.0 23.684 22.945 18.835 0.000 1.608 0.000 3/46656 50.0 16.079 15.799 13.084 0.000 1.122 0.000 3/46656 60.0 12.020 11.868 9.928 0.000 0.848 0.000 3/46656 70.0 9.554 9.439 7.972 0.000 0.674 0.000 3/46656 80.0 7.915 7.811 6.655 0.000 0.554 0.000 3/46656 90.0 6.755 6.653 5.713 0.000 0.468 0.000 3/46656 100.0 5.894 5.792 5.007 0.000 0.402 0.000 3/46656 110.0 5.232 5.128 4.461 0.000 0.352 0.000 3/46656 120.0 4.707 4.603 4.025 0.000 0.311 0.000 3/46656 130.0 4.283 4.177 3.670 0.000 0.279 0.000 3/46656 140.0 3.932 3.825 3.375 0.000 0.252 0.000 3/46656 150.0 3.637 3.530 3.126 0.000 0.229 0.000 3/46656 160.0 3.386 3.279 2.913 0.000 0.211 0.000 3/46656 170.0 3.169 3.062 2.729 0.000 0.194 0.000 3/46656 180.0 2.981 2.874 2.568 0.000 0.181 0.000 3/46656 190.0 2.815 2.708 2.426 0.000 0.169 0.000 3/46656 200.0 2.667 2.562 2.300 0.000 0.158 0.000 3/46656 210.0 2.536 2.431 2.187 0.000 0.149 0.000 3/46656 220.0 2.417 2.313 2.085 0.000 0.141 0.000 3/46656 230.0 2.310 2.207 1.993 0.000 0.134 0.000 3/46656 240.0 2.213 2.110 1.909 0.000 0.127 0.000 3/46656 250.0 2.124 2.022 1.832 0.000 0.122 0.000 3/46656 260.0 2.042 1.942 1.762 0.000 0.116 0.000 3/46656 270.0 1.967 1.867 1.697 0.000 0.112 0.000 3/46656 280.0 1.897 1.799 1.637 0.000 0.107 0.000 3/46656 290.0 1.832 1.735 1.581 0.000 0.103 0.000 3/46656 300.0 1.772 1.676 1.529 0.000 0.100 0.000 3/46656 310.0 1.715 1.621 1.480 0.000 0.096 0.000 3/46656 320.0 1.663 1.569 1.435 0.000 0.093 0.000 3/46656 330.0 1.613 1.521 1.392 0.000 0.090 0.000 3/46656 340.0 1.567 1.476 1.352 0.000 0.088 0.000 3/46656 350.0 1.523 1.433 1.314 0.000 0.085 0.000 3/46656 360.0 1.481 1.393 1.278 0.000 0.083 0.000 3/46656 370.0 1.442 1.355 1.245 0.000 0.080 0.000 3/46656 380.0 1.405 1.320 1.213 0.000 0.078 0.000 3/46656 390.0 1.370 1.286 1.182 0.000 0.076 0.000 3/46656 400.0 1.337 1.253 1.153 0.000 0.075 0.000 3/46656 410.0 1.305 1.223 1.126 0.000 0.073 0.000 3/46656 420.0 1.274 1.194 1.100 0.000 0.071 0.000 3/46656 430.0 1.245 1.166 1.075 0.000 0.069 0.000 3/46656 440.0 1.218 1.139 1.051 0.000 0.068 0.000 3/46656 450.0 1.191 1.114 1.028 0.000 0.066 0.000 3/46656 460.0 1.166 1.090 1.006 0.000 0.065 0.000 3/46656 470.0 1.142 1.067 0.985 0.000 0.064 0.000 3/46656 480.0 1.119 1.044 0.965 0.000 0.062 0.000 3/46656 490.0 1.096 1.023 0.946 0.000 0.061 0.000 3/46656 500.0 1.075 1.003 0.928 0.000 0.060 0.000 3/46656 510.0 1.054 0.983 0.910 0.000 0.059 0.000 3/46656 520.0 1.034 0.964 0.893 0.000 0.058 0.000 3/46656 530.0 1.015 0.946 0.876 0.000 0.057 0.000 3/46656 540.0 0.997 0.929 0.860 0.000 0.056 0.000 3/46656 550.0 0.979 0.912 0.845 0.000 0.055 0.000 3/46656 560.0 0.962 0.896 0.830 0.000 0.054 0.000 3/46656 570.0 0.946 0.880 0.816 0.000 0.053 0.000 3/46656 580.0 0.930 0.865 0.802 0.000 0.052 0.000 3/46656 590.0 0.914 0.850 0.789 0.000 0.051 0.000 3/46656 600.0 0.899 0.836 0.776 0.000 0.050 0.000 3/46656 610.0 0.885 0.823 0.764 0.000 0.050 0.000 3/46656 620.0 0.871 0.809 0.752 0.000 0.049 0.000 3/46656 630.0 0.857 0.797 0.740 0.000 0.048 0.000 3/46656 640.0 0.844 0.784 0.728 0.000 0.047 0.000 3/46656 650.0 0.831 0.772 0.717 0.000 0.047 0.000 3/46656 660.0 0.819 0.760 0.707 0.000 0.046 0.000 3/46656 670.0 0.807 0.749 0.696 0.000 0.045 0.000 3/46656 680.0 0.795 0.738 0.686 0.000 0.045 0.000 3/46656 690.0 0.784 0.728 0.677 0.000 0.044 0.000 3/46656 700.0 0.773 0.717 0.667 0.000 0.044 0.000 3/46656 710.0 0.762 0.707 0.658 0.000 0.043 0.000 3/46656 720.0 0.752 0.697 0.649 0.000 0.042 0.000 3/46656 730.0 0.741 0.688 0.640 0.000 0.042 0.000 3/46656 740.0 0.732 0.679 0.632 0.000 0.041 0.000 3/46656 750.0 0.722 0.670 0.623 0.000 0.041 0.000 3/46656 760.0 0.713 0.661 0.615 0.000 0.040 0.000 3/46656 770.0 0.704 0.652 0.607 0.000 0.040 0.000 3/46656 780.0 0.695 0.644 0.600 0.000 0.039 0.000 3/46656 790.0 0.686 0.636 0.592 0.000 0.039 0.000 3/46656 800.0 0.677 0.628 0.585 0.000 0.038 0.000 3/46656 810.0 0.669 0.620 0.578 0.000 0.038 0.000 3/46656 820.0 0.661 0.613 0.571 0.000 0.037 0.000 3/46656 830.0 0.653 0.605 0.564 0.000 0.037 0.000 3/46656 840.0 0.646 0.598 0.557 0.000 0.037 0.000 3/46656 850.0 0.638 0.591 0.551 0.000 0.036 0.000 3/46656 860.0 0.631 0.584 0.545 0.000 0.036 0.000 3/46656 870.0 0.624 0.578 0.538 0.000 0.035 0.000 3/46656 880.0 0.617 0.571 0.532 0.000 0.035 0.000 3/46656 890.0 0.610 0.565 0.526 0.000 0.035 0.000 3/46656 900.0 0.603 0.558 0.521 0.000 0.034 0.000 3/46656 910.0 0.597 0.552 0.515 0.000 0.034 0.000 3/46656 920.0 0.590 0.546 0.509 0.000 0.033 0.000 3/46656 930.0 0.584 0.540 0.504 0.000 0.033 0.000 3/46656 940.0 0.578 0.535 0.499 0.000 0.033 0.000 3/46656 950.0 0.572 0.529 0.494 0.000 0.032 0.000 3/46656 960.0 0.566 0.524 0.488 0.000 0.032 0.000 3/46656 970.0 0.560 0.518 0.484 0.000 0.032 0.000 3/46656 980.0 0.554 0.513 0.479 0.000 0.031 0.000 3/46656 990.0 0.549 0.508 0.474 0.000 0.031 0.000 3/46656 1000.0 0.543 0.503 0.469 0.000 0.031 0.000 3/46656 Thermal conductivity related properties were written into "kappa-m996.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:09:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|